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 1jb0_1_B DATA FIRST_RESID 1 DATA SEQUENCE ATKFPKFSQD LAQDPTTRRI WYAIAMAHDF ESHDGMTEEN LYQKIFASHF DATA SEQUENCE GHLAIIFLWV SGSLFHVAWQ GNFEQWVQDP VNTRPIAHAI WDPQFGKAAV DATA SEQUENCE DAFTQAGASN PVDIAYSGVY HWWYTIGMRT NGDLYQGAIF LLILASLALF DATA SEQUENCE AGWLHLQPKF RPSLSWFKNA ESRLNHHLAG LFGVSSLAWA GHLIHVAIPE DATA SEQUENCE SRGQHVGWDN FLSTMPHPAG LAPFFTGNWG VYAQNPDTAS HVFGTAQGAG DATA SEQUENCE TAILTFLGGF HPQTESLWLT DMAHHHLAIA VLFIVAGHMY RTQFGIGHSI DATA SEQUENCE KEMMDAKDFF GTKVEGPFNM PHQGIYETYN NSLHFQLGWH LACLGVITSL DATA SEQUENCE VAQHMYSLPP YAFIAQDHTT MAALYTHHQY IAGFLMVGAF AHGAIFLVRD DATA SEQUENCE YDPAQNKGNV LDRVLQHKEA IISHLSWVSL FLGFHTLGLY VHNDVVVAFG DATA SEQUENCE TPEKQILIEP VFAQFIQAAH GKLLYGFDTL LSNPDSIAST AWPNYGNVWL DATA SEQUENCE PGWLDAINSG TNSLFLTIGP GDFLVHHAIA LGLHTTTLIL VKGALDARGS DATA SEQUENCE KLMPDKKDFG YAFPCDGPGR GGTCDISAWD AFYLAMFWML NTIGWVTFYW DATA SEQUENCE HWKHLGVWEG NVAQFNESST YLMGWLRDYL WLNSSQLING YNPFGTNNLS DATA SEQUENCE VWAWMFLFGH LVWATGFMFL ISWRGYWQEL IETLVWAHER TPLANLVRWK DATA SEQUENCE DKPVALSIVQ ARLVGLAHFS VGYILTYAAF LIASTAAKF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.012 0.000 1.274 1 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 1 A CB 0.000 18.983 19.000 -0.029 0.000 0.831 2 T N -0.845 113.701 114.554 -0.013 0.000 2.944 2 T HA 0.547 4.897 4.350 0.000 0.000 0.284 2 T C 0.764 175.465 174.700 0.001 0.000 1.010 2 T CA -0.370 61.734 62.100 0.007 0.000 1.025 2 T CB 1.429 70.317 68.868 0.034 0.000 1.079 2 T HN 0.622 nan 8.240 nan 0.000 0.516 3 K N -0.602 119.815 120.400 0.027 0.000 2.217 3 K HA 0.115 4.435 4.320 0.000 0.000 0.202 3 K C 0.149 176.775 176.600 0.043 0.000 1.051 3 K CA 0.587 56.889 56.287 0.025 0.000 0.952 3 K CB -0.055 32.468 32.500 0.039 0.000 0.736 3 K HN 0.558 nan 8.250 nan 0.000 0.453 4 F N 3.298 123.189 119.950 -0.097 0.000 2.408 4 F HA 0.257 4.784 4.527 0.000 0.000 0.344 4 F C -2.427 173.264 175.800 -0.181 0.000 1.112 4 F CA -3.053 54.865 58.000 -0.136 0.000 1.096 4 F CB 1.086 40.033 39.000 -0.089 0.000 1.129 4 F HN -0.161 nan 8.300 nan 0.000 0.486 5 P HA 0.138 nan 4.420 nan 0.000 0.288 5 P C -0.343 176.488 177.300 -0.782 0.000 1.267 5 P CA -0.431 61.872 63.100 -1.328 0.000 0.815 5 P CB 1.834 32.383 31.700 -1.918 0.000 0.989 6 K N 2.703 122.816 120.400 -0.478 0.000 2.147 6 K HA -0.134 4.186 4.320 0.000 0.000 0.205 6 K C 1.356 177.819 176.600 -0.229 0.000 1.049 6 K CA 1.522 57.678 56.287 -0.219 0.000 0.936 6 K CB -0.491 31.997 32.500 -0.021 0.000 0.722 6 K HN 0.502 nan 8.250 nan 0.000 0.446 7 F N -0.531 119.291 119.950 -0.215 0.000 2.797 7 F HA 0.286 4.813 4.527 0.000 0.000 0.302 7 F C 0.159 175.850 175.800 -0.181 0.000 1.130 7 F CA -0.592 57.250 58.000 -0.262 0.000 1.387 7 F CB 0.106 38.689 39.000 -0.695 0.000 1.107 7 F HN -0.141 nan 8.300 nan 0.000 0.577 8 S N 0.520 115.991 115.700 -0.381 0.000 2.680 8 S HA 0.218 4.689 4.470 0.000 0.000 0.262 8 S C 0.478 174.963 174.600 -0.191 0.000 1.138 8 S CA -0.614 57.481 58.200 -0.174 0.000 1.072 8 S CB 0.975 64.108 63.200 -0.112 0.000 1.097 8 S HN 0.153 nan 8.310 nan 0.000 0.468 9 Q N 2.409 122.149 119.800 -0.100 0.000 2.224 9 Q HA -0.056 4.284 4.340 0.000 0.000 0.203 9 Q C 0.881 176.832 176.000 -0.081 0.000 0.970 9 Q CA 1.447 57.197 55.803 -0.089 0.000 0.865 9 Q CB -0.134 28.573 28.738 -0.051 0.000 0.922 9 Q HN 0.751 nan 8.270 nan 0.000 0.445 10 D N 0.198 120.560 120.400 -0.063 0.000 2.117 10 D HA -0.099 4.541 4.640 0.000 0.000 0.197 10 D C 2.053 178.305 176.300 -0.081 0.000 0.987 10 D CA 0.707 54.673 54.000 -0.056 0.000 0.829 10 D CB -0.010 40.770 40.800 -0.033 0.000 0.961 10 D HN 0.232 nan 8.370 nan 0.000 0.460 11 L N 0.646 121.803 121.223 -0.111 0.000 2.072 11 L HA -0.054 4.286 4.340 0.000 0.000 0.205 11 L C 2.473 179.253 176.870 -0.150 0.000 1.079 11 L CA 0.877 55.635 54.840 -0.138 0.000 0.752 11 L CB -0.414 41.533 42.059 -0.186 0.000 0.906 11 L HN -0.047 nan 8.230 nan 0.000 0.436 12 A N -0.670 122.043 122.820 -0.178 0.000 2.131 12 A HA -0.221 4.099 4.320 0.000 0.000 0.220 12 A C 2.065 179.602 177.584 -0.079 0.000 1.158 12 A CA 1.405 53.359 52.037 -0.139 0.000 0.665 12 A CB -0.330 18.583 19.000 -0.144 0.000 0.795 12 A HN 0.517 nan 8.150 nan 0.000 0.460 13 Q N -0.700 119.057 119.800 -0.072 0.000 2.319 13 Q HA 0.032 4.372 4.340 0.000 0.000 0.209 13 Q C -0.223 175.751 176.000 -0.042 0.000 0.884 13 Q CA -0.254 55.520 55.803 -0.048 0.000 0.938 13 Q CB 0.387 29.099 28.738 -0.043 0.000 1.098 13 Q HN 0.541 nan 8.270 nan 0.000 0.517 14 D N 1.748 122.116 120.400 -0.054 0.000 2.358 14 D HA -0.010 4.631 4.640 0.000 0.000 0.258 14 D C -1.670 174.614 176.300 -0.027 0.000 1.223 14 D CA -1.595 52.375 54.000 -0.050 0.000 0.886 14 D CB 1.292 42.049 40.800 -0.072 0.000 1.120 14 D HN 0.071 nan 8.370 nan 0.000 0.482 15 P HA 0.006 nan 4.420 nan 0.000 0.249 15 P C 0.393 177.701 177.300 0.013 0.000 1.229 15 P CA 0.156 63.261 63.100 0.009 0.000 0.788 15 P CB 0.155 31.867 31.700 0.020 0.000 1.072 16 T N -3.463 111.088 114.554 -0.005 0.000 2.910 16 T HA 0.265 4.615 4.350 0.000 0.000 0.279 16 T C 1.471 176.167 174.700 -0.008 0.000 0.989 16 T CA 0.114 62.207 62.100 -0.012 0.000 0.968 16 T CB 0.485 69.344 68.868 -0.015 0.000 1.135 16 T HN -0.071 nan 8.240 nan 0.000 0.562 17 T N -1.530 113.018 114.554 -0.010 0.000 2.962 17 T HA -0.077 4.273 4.350 0.000 0.000 0.270 17 T C 1.885 176.629 174.700 0.073 0.000 1.088 17 T CA 0.748 62.833 62.100 -0.025 0.000 1.127 17 T CB -0.433 68.425 68.868 -0.017 0.000 0.883 17 T HN 0.662 nan 8.240 nan 0.000 0.493 18 R N 1.260 121.856 120.500 0.161 0.000 2.139 18 R HA -0.130 4.210 4.340 0.000 0.000 0.243 18 R C 2.729 179.149 176.300 0.200 0.000 1.145 18 R CA 1.412 57.660 56.100 0.246 0.000 0.976 18 R CB -0.311 30.000 30.300 0.018 0.000 0.866 18 R HN 0.498 nan 8.270 nan 0.000 0.449 19 R N 0.613 121.154 120.500 0.069 0.000 2.094 19 R HA -0.183 4.157 4.340 0.000 0.000 0.239 19 R C 2.148 178.513 176.300 0.109 0.000 1.137 19 R CA 2.173 58.298 56.100 0.042 0.000 0.943 19 R CB -0.405 29.894 30.300 -0.002 0.000 0.850 19 R HN 0.268 nan 8.270 nan 0.000 0.433 20 I N -0.680 119.949 120.570 0.097 0.000 2.142 20 I HA -0.292 3.878 4.170 0.000 0.000 0.240 20 I C 2.207 178.472 176.117 0.247 0.000 1.078 20 I CA 1.724 63.111 61.300 0.145 0.000 1.343 20 I CB -0.500 37.417 38.000 -0.138 0.000 1.046 20 I HN 0.335 nan 8.210 nan 0.000 0.405 21 W N -0.014 121.393 121.300 0.179 0.000 2.315 21 W HA -0.276 4.384 4.660 0.000 0.000 0.323 21 W C 2.659 179.264 176.519 0.143 0.000 1.233 21 W CA 0.549 57.981 57.345 0.145 0.000 1.267 21 W CB -0.789 28.759 29.460 0.148 0.000 1.160 21 W HN 0.041 nan 8.180 nan 0.000 0.474 22 Y N 0.121 120.584 120.300 0.272 0.000 2.224 22 Y HA -0.196 4.354 4.550 0.000 0.000 0.289 22 Y C 2.443 178.432 175.900 0.149 0.000 1.146 22 Y CA 1.409 59.598 58.100 0.148 0.000 1.182 22 Y CB -1.352 37.159 38.460 0.084 0.000 0.983 22 Y HN -0.035 nan 8.280 nan 0.000 0.524 23 A N 0.117 123.082 122.820 0.242 0.000 1.908 23 A HA -0.190 4.130 4.320 0.000 0.000 0.218 23 A C 2.265 180.043 177.584 0.325 0.000 1.181 23 A CA 1.897 54.002 52.037 0.115 0.000 0.627 23 A CB -1.059 17.686 19.000 -0.425 0.000 0.818 23 A HN 0.468 nan 8.150 nan 0.000 0.445 24 I N -0.331 120.431 120.570 0.320 0.000 2.226 24 I HA -0.261 3.909 4.170 0.000 0.000 0.245 24 I C 2.884 179.083 176.117 0.136 0.000 1.100 24 I CA 1.095 62.555 61.300 0.268 0.000 1.374 24 I CB -0.255 37.910 38.000 0.274 0.000 1.057 24 I HN 0.346 nan 8.210 nan 0.000 0.413 25 A N 0.142 123.019 122.820 0.095 0.000 2.067 25 A HA -0.091 4.229 4.320 0.000 0.000 0.219 25 A C 2.191 179.774 177.584 -0.001 0.000 1.158 25 A CA 1.339 53.364 52.037 -0.019 0.000 0.661 25 A CB -0.392 18.505 19.000 -0.171 0.000 0.801 25 A HN 0.423 nan 8.150 nan 0.000 0.452 26 M N -1.305 118.356 119.600 0.102 0.000 2.333 26 M HA 0.214 4.694 4.480 0.000 0.000 0.257 26 M C 2.071 178.399 176.300 0.048 0.000 1.078 26 M CA 0.516 55.892 55.300 0.126 0.000 1.005 26 M CB 0.181 32.944 32.600 0.271 0.000 1.444 26 M HN 0.383 nan 8.290 nan 0.000 0.496 27 A N 0.541 123.381 122.820 0.033 0.000 1.917 27 A HA -0.205 4.115 4.320 0.000 0.000 0.219 27 A C 1.604 179.301 177.584 0.189 0.000 1.182 27 A CA 1.730 53.723 52.037 -0.075 0.000 0.633 27 A CB -1.082 18.008 19.000 0.149 0.000 0.819 27 A HN 0.619 nan 8.150 nan 0.000 0.448 28 H N -2.159 116.882 119.070 -0.047 0.000 2.539 28 H HA 0.043 4.599 4.556 0.000 0.000 0.269 28 H C 0.026 175.007 175.328 -0.579 0.000 0.980 28 H CA 0.052 55.917 56.048 -0.305 0.000 1.152 28 H CB 0.289 29.878 29.762 -0.289 0.000 1.407 28 H HN 0.374 nan 8.280 nan 0.000 0.564 29 D N 0.854 121.148 120.400 -0.176 0.000 2.767 29 D HA -0.045 4.595 4.640 0.000 0.000 0.231 29 D C 0.863 176.925 176.300 -0.396 0.000 1.105 29 D CA -0.161 53.715 54.000 -0.208 0.000 1.024 29 D CB -0.951 39.822 40.800 -0.046 0.000 1.123 29 D HN 0.313 nan 8.370 nan 0.000 0.470 30 F N 0.316 119.908 119.950 -0.596 0.000 2.141 30 F HA -0.277 4.250 4.527 0.000 0.000 0.300 30 F C 2.137 177.614 175.800 -0.539 0.000 1.079 30 F CA 0.704 58.201 58.000 -0.837 0.000 1.264 30 F CB -0.085 38.668 39.000 -0.412 0.000 1.011 30 F HN 0.274 nan 8.300 nan 0.000 0.487 31 E N 0.213 120.356 120.200 -0.095 0.000 2.118 31 E HA -0.188 4.163 4.350 0.000 0.000 0.195 31 E C 1.879 178.481 176.600 0.003 0.000 0.992 31 E CA 1.604 57.991 56.400 -0.023 0.000 0.804 31 E CB -0.185 29.531 29.700 0.026 0.000 0.741 31 E HN 0.342 nan 8.360 nan 0.000 0.458 32 S N -0.302 115.399 115.700 0.002 0.000 2.634 32 S HA 0.053 4.523 4.470 0.000 0.000 0.221 32 S C 0.091 174.846 174.600 0.257 0.000 0.952 32 S CA -0.362 57.905 58.200 0.111 0.000 0.930 32 S CB -0.359 62.915 63.200 0.123 0.000 0.780 32 S HN 0.223 nan 8.310 nan 0.000 0.498 33 H N 2.090 121.225 119.070 0.109 0.000 2.652 33 H HA 0.192 4.748 4.556 0.000 0.000 0.349 33 H C -0.440 174.964 175.328 0.126 0.000 1.099 33 H CA -1.000 55.144 56.048 0.161 0.000 1.417 33 H CB 0.458 30.290 29.762 0.116 0.000 1.457 33 H HN 0.232 nan 8.280 nan 0.000 0.568 34 D N 1.806 122.354 120.400 0.246 0.000 2.586 34 D HA -0.028 4.612 4.640 0.000 0.000 0.234 34 D C 1.414 177.782 176.300 0.112 0.000 1.132 34 D CA 1.468 55.549 54.000 0.134 0.000 0.860 34 D CB 0.424 41.273 40.800 0.081 0.000 1.159 34 D HN 0.939 nan 8.370 nan 0.000 0.490 35 G N 1.955 110.802 108.800 0.078 0.000 2.155 35 G HA2 -0.350 3.610 3.960 0.000 0.000 0.257 35 G HA3 -0.350 3.610 3.960 0.000 0.000 0.257 35 G C 0.472 175.406 174.900 0.057 0.000 0.983 35 G CA 0.490 45.624 45.100 0.057 0.000 0.676 35 G HN 0.505 nan 8.290 nan 0.000 0.528 36 M N 2.516 122.161 119.600 0.075 0.000 2.252 36 M HA 0.498 4.978 4.480 0.000 0.000 0.348 36 M C 1.084 177.407 176.300 0.038 0.000 1.334 36 M CA 0.754 56.087 55.300 0.055 0.000 1.071 36 M CB 0.468 33.103 32.600 0.059 0.000 1.763 36 M HN 0.629 nan 8.290 nan 0.000 0.452 37 T N 0.414 114.984 114.554 0.027 0.000 2.950 37 T HA 0.409 4.759 4.350 0.000 0.000 0.288 37 T C 0.714 175.437 174.700 0.039 0.000 1.035 37 T CA -0.798 61.319 62.100 0.028 0.000 1.028 37 T CB 1.299 70.180 68.868 0.021 0.000 1.109 37 T HN 0.775 nan 8.240 nan 0.000 0.514 38 E N 0.203 120.433 120.200 0.050 0.000 2.077 38 E HA -0.210 4.140 4.350 0.000 0.000 0.193 38 E C 1.845 178.516 176.600 0.117 0.000 0.989 38 E CA 1.462 57.919 56.400 0.095 0.000 0.800 38 E CB 0.010 29.756 29.700 0.077 0.000 0.746 38 E HN 0.886 nan 8.360 nan 0.000 0.452 39 E N 0.167 120.398 120.200 0.051 0.000 2.077 39 E HA -0.200 4.150 4.350 0.000 0.000 0.193 39 E C 1.859 178.485 176.600 0.043 0.000 0.989 39 E CA 1.259 57.685 56.400 0.042 0.000 0.800 39 E CB 0.069 29.788 29.700 0.032 0.000 0.746 39 E HN 0.180 nan 8.360 nan 0.000 0.452 40 N N 0.664 119.378 118.700 0.023 0.000 2.223 40 N HA -0.158 4.582 4.740 0.000 0.000 0.185 40 N C 1.866 177.346 175.510 -0.050 0.000 1.016 40 N CA 0.727 53.770 53.050 -0.011 0.000 0.863 40 N CB -0.323 38.152 38.487 -0.020 0.000 0.983 40 N HN 0.207 nan 8.380 nan 0.000 0.429 41 L N 0.426 121.635 121.223 -0.024 0.000 1.989 41 L HA -0.169 4.171 4.340 0.000 0.000 0.211 41 L C 1.860 178.633 176.870 -0.163 0.000 1.071 41 L CA 1.670 56.470 54.840 -0.068 0.000 0.749 41 L CB -0.995 41.043 42.059 -0.035 0.000 0.890 41 L HN 0.058 nan 8.230 nan 0.000 0.431 42 Y N 0.202 120.308 120.300 -0.323 0.000 2.128 42 Y HA -0.272 4.278 4.550 0.000 0.000 0.284 42 Y C 2.732 178.226 175.900 -0.676 0.000 1.154 42 Y CA 2.054 59.751 58.100 -0.671 0.000 1.149 42 Y CB -0.597 37.191 38.460 -1.119 0.000 0.976 42 Y HN 0.383 nan 8.280 nan 0.000 0.505 43 Q N -0.114 119.548 119.800 -0.230 0.000 2.170 43 Q HA -0.213 4.128 4.340 0.000 0.000 0.203 43 Q C 2.197 178.232 176.000 0.058 0.000 0.976 43 Q CA 1.509 57.335 55.803 0.039 0.000 0.858 43 Q CB -0.176 28.632 28.738 0.116 0.000 0.907 43 Q HN 0.424 nan 8.270 nan 0.000 0.433 44 K N 0.618 120.972 120.400 -0.076 0.000 2.062 44 K HA -0.134 4.186 4.320 0.000 0.000 0.205 44 K C 1.968 178.548 176.600 -0.034 0.000 1.051 44 K CA 0.757 56.954 56.287 -0.149 0.000 0.941 44 K CB 0.133 32.363 32.500 -0.451 0.000 0.719 44 K HN 0.062 nan 8.250 nan 0.000 0.440 45 I N 1.204 121.756 120.570 -0.030 0.000 2.099 45 I HA -0.286 3.884 4.170 0.000 0.000 0.239 45 I C 2.289 178.266 176.117 -0.233 0.000 1.066 45 I CA 1.301 62.526 61.300 -0.125 0.000 1.324 45 I CB -1.472 36.312 38.000 -0.360 0.000 1.037 45 I HN 0.158 nan 8.210 nan 0.000 0.401 46 F N 1.900 121.708 119.950 -0.237 0.000 2.063 46 F HA -0.312 4.215 4.527 0.000 0.000 0.298 46 F C 2.543 178.484 175.800 0.236 0.000 1.105 46 F CA 1.899 59.927 58.000 0.045 0.000 1.215 46 F CB -0.701 38.547 39.000 0.414 0.000 0.972 46 F HN 0.098 nan 8.300 nan 0.000 0.483 47 A N -1.130 121.880 122.820 0.318 0.000 1.930 47 A HA -0.134 4.186 4.320 0.000 0.000 0.217 47 A C 2.375 180.087 177.584 0.213 0.000 1.175 47 A CA 1.815 54.003 52.037 0.252 0.000 0.627 47 A CB -1.166 17.916 19.000 0.138 0.000 0.815 47 A HN 0.410 nan 8.150 nan 0.000 0.443 48 S N -0.879 114.910 115.700 0.149 0.000 2.399 48 S HA -0.168 4.302 4.470 0.000 0.000 0.231 48 S C 1.675 176.415 174.600 0.233 0.000 1.022 48 S CA 1.306 59.605 58.200 0.165 0.000 0.983 48 S CB -0.592 62.713 63.200 0.175 0.000 0.803 48 S HN 0.799 nan 8.310 nan 0.000 0.480 49 H N -0.772 118.326 119.070 0.047 0.000 2.357 49 H HA -0.038 4.518 4.556 0.000 0.000 0.301 49 H C 1.769 177.035 175.328 -0.103 0.000 1.082 49 H CA 1.303 57.312 56.048 -0.064 0.000 1.342 49 H CB -0.159 29.524 29.762 -0.132 0.000 1.389 49 H HN 0.366 nan 8.280 nan 0.000 0.511 50 F N 0.383 120.371 119.950 0.063 0.000 2.134 50 F HA -0.138 4.389 4.527 0.000 0.000 0.299 50 F C 2.743 178.557 175.800 0.025 0.000 1.097 50 F CA 1.112 59.110 58.000 -0.003 0.000 1.264 50 F CB -0.493 38.469 39.000 -0.064 0.000 1.001 50 F HN 0.162 nan 8.300 nan 0.000 0.479 51 G N -1.418 107.521 108.800 0.233 0.000 2.418 51 G HA2 -0.288 3.672 3.960 0.000 0.000 0.217 51 G HA3 -0.288 3.672 3.960 0.000 0.000 0.217 51 G C 1.669 176.624 174.900 0.092 0.000 1.158 51 G CA 1.017 46.206 45.100 0.150 0.000 0.771 51 G HN 0.396 nan 8.290 nan 0.000 0.545 52 H N -0.048 119.023 119.070 0.002 0.000 2.321 52 H HA -0.014 4.542 4.556 0.000 0.000 0.300 52 H C 2.611 177.849 175.328 -0.149 0.000 1.087 52 H CA 1.181 57.188 56.048 -0.068 0.000 1.319 52 H CB -0.051 29.656 29.762 -0.093 0.000 1.379 52 H HN 0.174 nan 8.280 nan 0.000 0.501 53 L N 1.182 122.349 121.223 -0.094 0.000 2.013 53 L HA -0.159 4.181 4.340 0.000 0.000 0.212 53 L C 2.986 179.548 176.870 -0.514 0.000 1.073 53 L CA 1.913 56.536 54.840 -0.361 0.000 0.753 53 L CB -1.406 40.477 42.059 -0.293 0.000 0.890 53 L HN 0.341 nan 8.230 nan 0.000 0.432 54 A N -0.651 122.069 122.820 -0.167 0.000 1.908 54 A HA -0.218 4.102 4.320 0.000 0.000 0.218 54 A C 2.316 179.889 177.584 -0.019 0.000 1.181 54 A CA 2.001 54.039 52.037 0.001 0.000 0.627 54 A CB -0.756 18.298 19.000 0.090 0.000 0.818 54 A HN 0.438 nan 8.150 nan 0.000 0.445 55 I N -0.394 120.117 120.570 -0.097 0.000 2.226 55 I HA -0.272 3.898 4.170 0.000 0.000 0.245 55 I C 2.308 178.398 176.117 -0.045 0.000 1.100 55 I CA 1.340 62.591 61.300 -0.082 0.000 1.374 55 I CB -0.354 37.541 38.000 -0.174 0.000 1.057 55 I HN 0.325 nan 8.210 nan 0.000 0.413 56 I N 0.227 120.687 120.570 -0.182 0.000 2.179 56 I HA -0.324 3.846 4.170 0.000 0.000 0.242 56 I C 2.437 178.732 176.117 0.297 0.000 1.088 56 I CA 1.800 63.094 61.300 -0.009 0.000 1.357 56 I CB -0.430 37.461 38.000 -0.182 0.000 1.051 56 I HN 0.120 nan 8.210 nan 0.000 0.409 57 F N 0.552 120.583 119.950 0.135 0.000 2.134 57 F HA -0.240 4.287 4.527 0.000 0.000 0.299 57 F C 2.427 178.280 175.800 0.089 0.000 1.097 57 F CA 0.750 58.805 58.000 0.093 0.000 1.264 57 F CB -0.269 38.739 39.000 0.012 0.000 1.001 57 F HN 0.016 nan 8.300 nan 0.000 0.479 58 L N -1.339 120.053 121.223 0.282 0.000 2.093 58 L HA -0.229 4.111 4.340 0.000 0.000 0.208 58 L C 2.315 179.329 176.870 0.239 0.000 1.085 58 L CA 1.232 56.182 54.840 0.184 0.000 0.755 58 L CB -0.725 41.409 42.059 0.125 0.000 0.904 58 L HN 0.368 nan 8.230 nan 0.000 0.435 59 W N 0.743 122.092 121.300 0.080 0.000 2.333 59 W HA -0.205 4.455 4.660 0.000 0.000 0.316 59 W C 2.186 178.795 176.519 0.151 0.000 1.215 59 W CA 1.859 59.261 57.345 0.094 0.000 1.278 59 W CB -0.578 28.920 29.460 0.063 0.000 1.154 59 W HN -0.169 nan 8.180 nan 0.000 0.486 60 V N 0.571 120.528 119.914 0.072 0.000 2.407 60 V HA -0.300 3.820 4.120 0.000 0.000 0.248 60 V C 2.542 178.622 176.094 -0.024 0.000 1.055 60 V CA 2.152 64.370 62.300 -0.137 0.000 1.049 60 V CB -1.583 30.282 31.823 0.071 0.000 0.662 60 V HN 0.384 nan 8.190 nan 0.000 0.455 61 S N 0.740 116.466 115.700 0.043 0.000 2.400 61 S HA -0.149 4.321 4.470 0.000 0.000 0.232 61 S C 2.035 176.681 174.600 0.075 0.000 1.025 61 S CA 1.788 59.995 58.200 0.012 0.000 0.993 61 S CB -0.572 62.623 63.200 -0.008 0.000 0.808 61 S HN 0.657 nan 8.310 nan 0.000 0.478 62 G N -0.017 108.855 108.800 0.121 0.000 2.403 62 G HA2 -0.076 3.884 3.960 0.000 0.000 0.216 62 G HA3 -0.076 3.884 3.960 0.000 0.000 0.216 62 G C 1.656 176.736 174.900 0.299 0.000 1.154 62 G CA 0.908 46.160 45.100 0.253 0.000 0.784 62 G HN 0.564 nan 8.290 nan 0.000 0.538 63 S N 0.442 116.223 115.700 0.135 0.000 2.356 63 S HA -0.015 4.455 4.470 0.000 0.000 0.223 63 S C 2.324 177.089 174.600 0.274 0.000 1.032 63 S CA 0.804 59.120 58.200 0.193 0.000 1.005 63 S CB -0.264 62.984 63.200 0.080 0.000 0.867 63 S HN 0.303 nan 8.310 nan 0.000 0.449 64 L N -0.072 121.197 121.223 0.078 0.000 1.989 64 L HA -0.131 4.209 4.340 0.000 0.000 0.211 64 L C 2.256 179.065 176.870 -0.102 0.000 1.071 64 L CA 1.514 56.178 54.840 -0.292 0.000 0.749 64 L CB -0.551 41.235 42.059 -0.454 0.000 0.890 64 L HN 0.254 nan 8.230 nan 0.000 0.431 65 F N -0.044 119.863 119.950 -0.072 0.000 2.095 65 F HA -0.272 4.255 4.527 0.000 0.000 0.298 65 F C 2.774 178.606 175.800 0.053 0.000 1.104 65 F CA 1.745 59.726 58.000 -0.032 0.000 1.232 65 F CB -0.371 38.580 39.000 -0.081 0.000 0.987 65 F HN 0.128 nan 8.300 nan 0.000 0.475 66 H N -1.184 117.977 119.070 0.151 0.000 2.423 66 H HA -0.064 4.492 4.556 0.000 0.000 0.297 66 H C 2.518 177.881 175.328 0.059 0.000 1.075 66 H CA 1.600 57.739 56.048 0.153 0.000 1.342 66 H CB -0.350 29.555 29.762 0.240 0.000 1.395 66 H HN 0.213 nan 8.280 nan 0.000 0.530 67 V N 0.887 120.883 119.914 0.136 0.000 2.307 67 V HA -0.206 3.914 4.120 0.000 0.000 0.245 67 V C 2.785 178.862 176.094 -0.029 0.000 1.045 67 V CA 1.487 63.833 62.300 0.077 0.000 1.024 67 V CB -0.848 31.001 31.823 0.044 0.000 0.651 67 V HN 0.440 nan 8.190 nan 0.000 0.449 68 A N -1.079 121.665 122.820 -0.127 0.000 1.940 68 A HA -0.282 4.038 4.320 0.000 0.000 0.219 68 A C 1.980 179.527 177.584 -0.062 0.000 1.176 68 A CA 2.176 54.140 52.037 -0.122 0.000 0.631 68 A CB -0.768 18.140 19.000 -0.154 0.000 0.814 68 A HN 0.752 nan 8.150 nan 0.000 0.446 69 W N 0.118 121.173 121.300 -0.408 0.000 2.481 69 W HA 0.045 4.705 4.660 0.000 0.000 0.293 69 W C 1.702 178.114 176.519 -0.179 0.000 1.201 69 W CA 1.697 58.800 57.345 -0.403 0.000 1.328 69 W CB -0.129 28.866 29.460 -0.775 0.000 1.112 69 W HN 0.420 nan 8.180 nan 0.000 0.546 70 Q N -0.677 119.010 119.800 -0.189 0.000 2.164 70 Q HA 0.260 4.600 4.340 0.000 0.000 0.226 70 Q C 1.042 177.012 176.000 -0.050 0.000 0.813 70 Q CA 0.189 55.839 55.803 -0.256 0.000 0.978 70 Q CB 1.145 29.658 28.738 -0.374 0.000 1.149 70 Q HN 0.122 nan 8.270 nan 0.000 0.489 71 G N 1.943 110.771 108.800 0.047 0.000 2.494 71 G HA2 0.152 4.112 3.960 0.000 0.000 0.270 71 G HA3 0.152 4.112 3.960 0.000 0.000 0.270 71 G C 0.196 175.204 174.900 0.179 0.000 1.423 71 G CA -0.323 44.876 45.100 0.165 0.000 1.055 71 G HN 0.332 nan 8.290 nan 0.000 0.536 72 N N -1.502 117.392 118.700 0.322 0.000 2.536 72 N HA 0.071 4.811 4.740 0.000 0.000 0.286 72 N C 0.464 176.237 175.510 0.438 0.000 1.577 72 N CA -0.620 52.595 53.050 0.275 0.000 0.883 72 N CB 0.011 38.604 38.487 0.177 0.000 1.390 72 N HN 0.265 nan 8.380 nan 0.000 0.491 73 F N 1.815 121.912 119.950 0.245 0.000 2.095 73 F HA -0.070 4.457 4.527 0.000 0.000 0.298 73 F C 1.821 177.742 175.800 0.202 0.000 1.104 73 F CA 1.789 59.868 58.000 0.132 0.000 1.232 73 F CB 0.162 39.043 39.000 -0.198 0.000 0.987 73 F HN 0.177 nan 8.300 nan 0.000 0.475 74 E N -0.658 119.603 120.200 0.102 0.000 2.110 74 E HA -0.258 4.092 4.350 0.000 0.000 0.193 74 E C 2.057 178.640 176.600 -0.029 0.000 0.988 74 E CA 1.423 57.814 56.400 -0.015 0.000 0.804 74 E CB -0.152 29.576 29.700 0.047 0.000 0.745 74 E HN 0.506 nan 8.360 nan 0.000 0.458 75 Q N -0.594 119.228 119.800 0.037 0.000 2.123 75 Q HA -0.145 4.195 4.340 0.000 0.000 0.199 75 Q C 1.544 177.529 176.000 -0.024 0.000 0.966 75 Q CA 1.123 56.929 55.803 0.004 0.000 0.845 75 Q CB -0.287 28.470 28.738 0.032 0.000 0.907 75 Q HN 0.398 nan 8.270 nan 0.000 0.439 76 W N -0.158 121.051 121.300 -0.152 0.000 2.381 76 W HA -0.146 4.514 4.660 0.000 0.000 0.301 76 W C 1.777 178.048 176.519 -0.413 0.000 1.205 76 W CA 1.029 58.237 57.345 -0.229 0.000 1.285 76 W CB -0.141 29.289 29.460 -0.051 0.000 1.133 76 W HN -0.115 nan 8.180 nan 0.000 0.521 77 V N 0.752 120.547 119.914 -0.199 0.000 2.380 77 V HA -0.353 3.767 4.120 0.000 0.000 0.251 77 V C 2.344 178.211 176.094 -0.378 0.000 1.063 77 V CA 2.268 64.326 62.300 -0.404 0.000 1.055 77 V CB -0.855 30.769 31.823 -0.330 0.000 0.657 77 V HN 0.194 nan 8.190 nan 0.000 0.455 78 Q N -0.122 119.512 119.800 -0.276 0.000 2.016 78 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 78 Q C 1.096 176.898 176.000 -0.331 0.000 0.978 78 Q CA 1.708 57.379 55.803 -0.220 0.000 0.833 78 Q CB -0.090 28.559 28.738 -0.148 0.000 0.895 78 Q HN 0.676 nan 8.270 nan 0.000 0.427 79 D N -1.546 118.582 120.400 -0.453 0.000 2.400 79 D HA 0.228 4.868 4.640 0.000 0.000 0.272 79 D C -2.289 173.476 176.300 -0.893 0.000 1.220 79 D CA -2.036 51.635 54.000 -0.548 0.000 0.897 79 D CB 1.049 41.637 40.800 -0.354 0.000 1.134 79 D HN -0.094 nan 8.370 nan 0.000 0.507 80 P HA -0.120 nan 4.420 nan 0.000 0.221 80 P C 1.286 177.819 177.300 -1.277 0.000 1.145 80 P CA 0.560 62.413 63.100 -2.077 0.000 0.795 80 P CB 0.540 30.872 31.700 -2.280 0.000 0.775 81 V N -0.652 118.736 119.914 -0.877 0.000 2.825 81 V HA -0.003 4.117 4.120 0.000 0.000 0.246 81 V C 1.692 177.598 176.094 -0.314 0.000 1.068 81 V CA 1.451 63.469 62.300 -0.470 0.000 1.088 81 V CB -0.668 30.948 31.823 -0.344 0.000 0.733 81 V HN 0.151 nan 8.190 nan 0.000 0.468 82 N N -0.647 117.857 118.700 -0.327 0.000 2.282 82 N HA 0.043 4.783 4.740 0.000 0.000 0.185 82 N C 0.570 175.974 175.510 -0.177 0.000 1.099 82 N CA 0.230 53.154 53.050 -0.209 0.000 0.878 82 N CB 0.489 38.871 38.487 -0.175 0.000 0.993 82 N HN 0.374 nan 8.380 nan 0.000 0.481 83 T N 2.416 116.826 114.554 -0.240 0.000 2.794 83 T HA 0.265 4.615 4.350 0.000 0.000 0.296 83 T C 0.498 175.211 174.700 0.022 0.000 0.949 83 T CA -0.459 61.575 62.100 -0.110 0.000 1.101 83 T CB 1.313 70.115 68.868 -0.110 0.000 0.905 83 T HN -0.130 nan 8.240 nan 0.000 0.516 84 R N 3.846 124.348 120.500 0.002 0.000 2.216 84 R HA 0.282 4.622 4.340 0.000 0.000 0.332 84 R C -2.696 173.537 176.300 -0.111 0.000 1.056 84 R CA -2.731 53.354 56.100 -0.026 0.000 0.901 84 R CB -0.007 30.266 30.300 -0.046 0.000 1.039 84 R HN 0.414 nan 8.270 nan 0.000 0.456 85 P HA 0.140 nan 4.420 nan 0.000 0.267 85 P C -0.081 176.846 177.300 -0.622 0.000 1.205 85 P CA 0.075 62.618 63.100 -0.928 0.000 0.765 85 P CB 0.481 31.305 31.700 -1.460 0.000 0.828 86 I N 2.315 122.645 120.570 -0.400 0.000 2.331 86 I HA 0.240 4.410 4.170 0.000 0.000 0.292 86 I C 1.407 177.521 176.117 -0.005 0.000 0.998 86 I CA -0.349 60.872 61.300 -0.132 0.000 1.267 86 I CB 1.615 39.609 38.000 -0.009 0.000 1.386 86 I HN 0.387 nan 8.210 nan 0.000 0.476 87 A N 5.711 128.458 122.820 -0.121 0.000 1.840 87 A HA 0.007 4.328 4.320 0.000 0.000 0.214 87 A C 0.419 178.017 177.584 0.023 0.000 1.198 87 A CA 1.599 53.596 52.037 -0.066 0.000 0.608 87 A CB -0.317 18.551 19.000 -0.220 0.000 0.839 87 A HN 0.921 nan 8.150 nan 0.000 0.443 88 H N -5.150 113.928 119.070 0.014 0.000 2.921 88 H HA 0.631 5.187 4.556 0.000 0.000 0.287 88 H C -0.568 174.729 175.328 -0.052 0.000 1.434 88 H CA -0.796 55.254 56.048 0.003 0.000 1.178 88 H CB 0.172 29.911 29.762 -0.039 0.000 1.836 88 H HN 0.406 nan 8.280 nan 0.000 0.495 89 A N 0.747 123.626 122.820 0.099 0.000 2.346 89 A HA 0.562 4.882 4.320 0.000 0.000 0.252 89 A C -0.176 177.482 177.584 0.123 0.000 1.089 89 A CA -0.409 51.640 52.037 0.020 0.000 0.797 89 A CB -0.050 18.895 19.000 -0.091 0.000 1.047 89 A HN 0.554 nan 8.150 nan 0.000 0.494 90 I N 0.598 121.170 120.570 0.005 0.000 2.441 90 I HA 0.324 4.494 4.170 0.000 0.000 0.295 90 I C -0.825 175.235 176.117 -0.095 0.000 0.994 90 I CA -0.177 61.066 61.300 -0.094 0.000 1.144 90 I CB 1.633 39.471 38.000 -0.270 0.000 1.314 90 I HN 0.770 nan 8.210 nan 0.000 0.445 91 W N 7.241 128.350 121.300 -0.318 0.000 2.534 91 W HA 0.290 4.950 4.660 0.000 0.000 0.292 91 W C -1.830 174.467 176.519 -0.371 0.000 1.027 91 W CA -0.487 56.676 57.345 -0.303 0.000 1.304 91 W CB 1.382 30.740 29.460 -0.171 0.000 1.187 91 W HN 0.441 nan 8.180 nan 0.000 0.356 92 D N 6.941 126.845 120.400 -0.827 0.000 2.402 92 D HA 0.311 4.951 4.640 0.000 0.000 0.252 92 D C -1.790 174.139 176.300 -0.620 0.000 1.294 92 D CA -1.901 51.699 54.000 -0.667 0.000 0.948 92 D CB 2.161 42.455 40.800 -0.844 0.000 1.202 92 D HN -0.008 nan 8.370 nan 0.000 0.561 93 P HA -0.138 nan 4.420 nan 0.000 0.221 93 P C 0.861 178.062 177.300 -0.164 0.000 1.141 93 P CA 1.191 64.116 63.100 -0.292 0.000 0.794 93 P CB 0.360 31.987 31.700 -0.122 0.000 0.764 94 Q N -2.266 117.466 119.800 -0.113 0.000 2.389 94 Q HA 0.050 4.390 4.340 0.000 0.000 0.204 94 Q C 0.534 176.575 176.000 0.069 0.000 0.944 94 Q CA -0.095 55.693 55.803 -0.025 0.000 0.908 94 Q CB -0.208 28.508 28.738 -0.036 0.000 1.002 94 Q HN 0.317 nan 8.270 nan 0.000 0.493 95 F N 0.893 120.710 119.950 -0.222 0.000 2.595 95 F HA 0.027 4.554 4.527 0.000 0.000 0.359 95 F C 1.339 177.050 175.800 -0.148 0.000 1.147 95 F CA -0.408 57.472 58.000 -0.199 0.000 1.341 95 F CB 0.475 39.341 39.000 -0.224 0.000 1.104 95 F HN 0.045 nan 8.300 nan 0.000 0.603 96 G N 2.278 111.063 108.800 -0.024 0.000 2.488 96 G HA2 0.268 4.228 3.960 0.000 0.000 0.318 96 G HA3 0.268 4.228 3.960 0.000 0.000 0.318 96 G C 0.266 175.158 174.900 -0.013 0.000 1.188 96 G CA -0.715 44.363 45.100 -0.035 0.000 0.944 96 G HN 0.522 nan 8.290 nan 0.000 0.495 97 K N 0.486 120.879 120.400 -0.012 0.000 2.074 97 K HA -0.093 4.227 4.320 0.000 0.000 0.209 97 K C 2.696 179.296 176.600 0.001 0.000 1.048 97 K CA 1.813 58.101 56.287 0.001 0.000 0.926 97 K CB -0.581 31.916 32.500 -0.005 0.000 0.713 97 K HN 0.449 nan 8.250 nan 0.000 0.444 98 A N 0.689 123.495 122.820 -0.023 0.000 1.933 98 A HA -0.048 4.272 4.320 0.000 0.000 0.218 98 A C 2.339 179.901 177.584 -0.037 0.000 1.175 98 A CA 1.899 53.919 52.037 -0.028 0.000 0.628 98 A CB -0.798 18.180 19.000 -0.037 0.000 0.814 98 A HN 0.293 nan 8.150 nan 0.000 0.444 99 A N -0.657 122.106 122.820 -0.095 0.000 1.898 99 A HA 0.055 4.376 4.320 0.000 0.000 0.216 99 A C 2.185 179.847 177.584 0.130 0.000 1.181 99 A CA 1.570 53.505 52.037 -0.170 0.000 0.620 99 A CB -0.821 17.705 19.000 -0.789 0.000 0.819 99 A HN 0.351 nan 8.150 nan 0.000 0.442 100 V N 0.771 120.800 119.914 0.191 0.000 2.407 100 V HA -0.239 3.881 4.120 0.000 0.000 0.248 100 V C 2.095 178.291 176.094 0.170 0.000 1.055 100 V CA 2.293 64.752 62.300 0.264 0.000 1.049 100 V CB -0.720 31.181 31.823 0.130 0.000 0.662 100 V HN 0.516 nan 8.190 nan 0.000 0.455 101 D N 0.476 120.928 120.400 0.087 0.000 2.097 101 D HA -0.085 4.555 4.640 0.000 0.000 0.197 101 D C 2.270 178.583 176.300 0.021 0.000 0.984 101 D CA 1.570 55.596 54.000 0.043 0.000 0.826 101 D CB -0.361 40.445 40.800 0.011 0.000 0.973 101 D HN 0.428 nan 8.370 nan 0.000 0.460 102 A N 0.249 123.061 122.820 -0.013 0.000 1.978 102 A HA -0.167 4.153 4.320 0.000 0.000 0.220 102 A C 1.776 179.199 177.584 -0.268 0.000 1.170 102 A CA 1.132 53.068 52.037 -0.168 0.000 0.636 102 A CB -0.826 18.006 19.000 -0.281 0.000 0.810 102 A HN 0.186 nan 8.150 nan 0.000 0.448 103 F N -0.219 119.746 119.950 0.024 0.000 2.776 103 F HA 0.108 4.635 4.527 0.000 0.000 0.300 103 F C 0.766 176.580 175.800 0.023 0.000 1.116 103 F CA 0.469 58.495 58.000 0.044 0.000 1.375 103 F CB 0.040 39.111 39.000 0.118 0.000 1.109 103 F HN -0.119 nan 8.300 nan 0.000 0.585 104 T N 3.712 118.350 114.554 0.139 0.000 2.987 104 T HA 0.221 4.571 4.350 0.000 0.000 0.288 104 T C 0.088 174.804 174.700 0.027 0.000 0.981 104 T CA -0.258 61.886 62.100 0.074 0.000 1.031 104 T CB -0.456 68.444 68.868 0.053 0.000 0.976 104 T HN 0.358 nan 8.240 nan 0.000 0.612 105 Q N 1.015 120.828 119.800 0.021 0.000 3.019 105 Q HA 0.699 5.039 4.340 0.000 0.000 0.337 105 Q C 0.177 176.171 176.000 -0.010 0.000 0.900 105 Q CA -0.988 54.810 55.803 -0.008 0.000 0.800 105 Q CB 0.782 29.503 28.738 -0.028 0.000 1.437 105 Q HN 0.314 nan 8.270 nan 0.000 0.505 106 A N -0.892 121.916 122.820 -0.021 0.000 2.790 106 A HA -0.131 4.189 4.320 0.000 0.000 0.277 106 A C 1.216 178.790 177.584 -0.017 0.000 1.435 106 A CA 1.934 53.956 52.037 -0.025 0.000 0.877 106 A CB -2.477 16.500 19.000 -0.038 0.000 1.007 106 A HN 2.326 nan 8.150 nan 0.000 0.613 107 G N -3.505 105.286 108.800 -0.015 0.000 2.143 107 G HA2 0.195 4.155 3.960 0.000 0.000 0.248 107 G HA3 0.195 4.155 3.960 0.000 0.000 0.248 107 G C 0.720 175.618 174.900 -0.004 0.000 0.991 107 G CA 1.185 46.278 45.100 -0.011 0.000 0.689 107 G HN 2.497 nan 8.290 nan 0.000 0.522 108 A N -0.119 122.700 122.820 -0.001 0.000 2.264 108 A HA 0.835 5.156 4.320 0.000 0.000 0.304 108 A C 1.356 178.942 177.584 0.003 0.000 1.100 108 A CA 0.826 52.863 52.037 0.001 0.000 0.839 108 A CB 0.819 19.819 19.000 -0.000 0.000 1.121 108 A HN 1.586 nan 8.150 nan 0.000 0.496 109 S N 0.073 115.774 115.700 0.003 0.000 2.582 109 S HA 0.199 4.669 4.470 0.000 0.000 0.234 109 S C 0.059 174.665 174.600 0.010 0.000 0.961 109 S CA -0.155 58.049 58.200 0.006 0.000 0.953 109 S CB -0.857 62.346 63.200 0.005 0.000 0.800 109 S HN 0.884 nan 8.310 nan 0.000 0.471 110 N N -0.490 118.216 118.700 0.011 0.000 2.823 110 N HA 0.353 5.093 4.740 0.000 0.000 0.251 110 N C -3.834 171.693 175.510 0.028 0.000 1.392 110 N CA -1.752 51.307 53.050 0.015 0.000 0.864 110 N CB 0.521 39.013 38.487 0.008 0.000 1.481 110 N HN -0.185 nan 8.380 nan 0.000 0.508 111 P HA 0.088 nan 4.420 nan 0.000 0.265 111 P C -0.351 176.974 177.300 0.041 0.000 1.193 111 P CA 0.019 63.172 63.100 0.089 0.000 0.765 111 P CB 0.691 32.414 31.700 0.040 0.000 0.823 112 V N -0.216 119.747 119.914 0.083 0.000 3.202 112 V HA 0.647 4.767 4.120 0.000 0.000 0.306 112 V C -1.354 174.747 176.094 0.012 0.000 1.283 112 V CA -0.881 61.415 62.300 -0.006 0.000 1.065 112 V CB 2.688 34.493 31.823 -0.031 0.000 1.079 112 V HN 0.220 nan 8.190 nan 0.000 0.448 113 D N 1.429 121.735 120.400 -0.156 0.000 2.350 113 D HA 0.547 5.187 4.640 0.000 0.000 0.245 113 D C -0.742 175.447 176.300 -0.184 0.000 1.036 113 D CA -0.263 53.654 54.000 -0.139 0.000 0.848 113 D CB 2.363 42.972 40.800 -0.317 0.000 1.307 113 D HN 0.420 nan 8.370 nan 0.000 0.469 114 I N 1.422 121.903 120.570 -0.149 0.000 2.474 114 I HA 0.203 4.373 4.170 0.000 0.000 0.287 114 I C 0.797 176.563 176.117 -0.585 0.000 1.048 114 I CA -0.739 60.358 61.300 -0.338 0.000 1.383 114 I CB 0.410 38.216 38.000 -0.324 0.000 1.412 114 I HN 0.287 nan 8.210 nan 0.000 0.531 115 A N 6.591 129.069 122.820 -0.570 0.000 2.328 115 A HA 0.448 4.768 4.320 0.000 0.000 0.284 115 A C -0.400 176.831 177.584 -0.589 0.000 1.160 115 A CA -0.190 51.568 52.037 -0.465 0.000 0.818 115 A CB 0.019 18.864 19.000 -0.259 0.000 1.087 115 A HN 0.697 nan 8.150 nan 0.000 0.504 116 Y N 1.470 121.769 120.300 -0.002 0.000 2.682 116 Y HA 0.071 4.621 4.550 0.000 0.000 0.251 116 Y C 1.937 177.820 175.900 -0.028 0.000 1.172 116 Y CA 0.308 58.396 58.100 -0.019 0.000 1.186 116 Y CB 0.685 39.131 38.460 -0.022 0.000 1.216 116 Y HN 0.761 nan 8.280 nan 0.000 0.540 117 S N -1.265 114.464 115.700 0.049 0.000 2.562 117 S HA 0.194 4.664 4.470 0.000 0.000 0.221 117 S C 1.919 176.504 174.600 -0.025 0.000 0.975 117 S CA 0.544 58.741 58.200 -0.005 0.000 0.918 117 S CB -0.031 63.147 63.200 -0.038 0.000 0.772 117 S HN 0.611 nan 8.310 nan 0.000 0.531 118 G N 1.126 109.926 108.800 0.001 0.000 2.148 118 G HA2 -0.355 3.605 3.960 0.000 0.000 0.254 118 G HA3 -0.355 3.605 3.960 0.000 0.000 0.254 118 G C 0.871 175.740 174.900 -0.052 0.000 0.981 118 G CA 0.652 45.777 45.100 0.042 0.000 0.670 118 G HN 1.349 nan 8.290 nan 0.000 0.528 119 V N -3.232 116.537 119.914 -0.242 0.000 2.490 119 V HA -0.131 3.989 4.120 0.000 0.000 0.250 119 V C 2.159 177.756 176.094 -0.827 0.000 1.061 119 V CA 2.219 64.078 62.300 -0.735 0.000 1.064 119 V CB -0.889 30.174 31.823 -1.266 0.000 0.670 119 V HN 0.344 nan 8.190 nan 0.000 0.461 120 Y N 1.690 121.598 120.300 -0.655 0.000 2.145 120 Y HA -0.101 4.449 4.550 0.000 0.000 0.286 120 Y C 2.737 178.326 175.900 -0.519 0.000 1.145 120 Y CA 2.084 59.781 58.100 -0.672 0.000 1.148 120 Y CB -1.128 36.464 38.460 -1.447 0.000 0.981 120 Y HN 0.388 nan 8.280 nan 0.000 0.507 121 H N -2.834 116.133 119.070 -0.172 0.000 2.352 121 H HA -0.224 4.332 4.556 0.000 0.000 0.299 121 H C 1.815 177.260 175.328 0.196 0.000 1.097 121 H CA 1.751 57.955 56.048 0.259 0.000 1.311 121 H CB -0.764 29.188 29.762 0.316 0.000 1.377 121 H HN 0.467 nan 8.280 nan 0.000 0.504 122 W N 0.841 121.938 121.300 -0.339 0.000 2.379 122 W HA -0.158 4.502 4.660 0.000 0.000 0.307 122 W C 1.210 177.717 176.519 -0.020 0.000 1.200 122 W CA 0.781 57.700 57.345 -0.710 0.000 1.297 122 W CB -0.709 28.157 29.460 -0.991 0.000 1.140 122 W HN 0.195 nan 8.180 nan 0.000 0.507 123 W N -0.360 120.820 121.300 -0.200 0.000 2.363 123 W HA -0.184 4.476 4.660 0.000 0.000 0.296 123 W C 2.351 178.995 176.519 0.208 0.000 1.212 123 W CA 1.266 58.446 57.345 -0.274 0.000 1.260 123 W CB -2.000 27.174 29.460 -0.476 0.000 1.131 123 W HN 0.033 nan 8.180 nan 0.000 0.530 124 Y N 1.826 122.441 120.300 0.524 0.000 2.070 124 Y HA -0.294 4.256 4.550 0.000 0.000 0.280 124 Y C 2.574 178.797 175.900 0.538 0.000 1.148 124 Y CA 2.858 61.310 58.100 0.587 0.000 1.125 124 Y CB -0.919 37.946 38.460 0.675 0.000 0.975 124 Y HN -0.204 nan 8.280 nan 0.000 0.492 125 T N 1.964 116.810 114.554 0.487 0.000 2.699 125 T HA -0.220 4.130 4.350 0.000 0.000 0.268 125 T C 1.831 176.796 174.700 0.441 0.000 1.036 125 T CA 2.171 64.528 62.100 0.427 0.000 1.147 125 T CB -0.800 68.441 68.868 0.622 0.000 0.862 125 T HN 0.645 nan 8.240 nan 0.000 0.446 126 I N -1.492 119.357 120.570 0.464 0.000 3.564 126 I HA 0.430 4.600 4.170 0.000 0.000 0.294 126 I C 1.517 177.852 176.117 0.363 0.000 1.289 126 I CA 0.503 62.082 61.300 0.465 0.000 1.325 126 I CB -0.404 37.956 38.000 0.600 0.000 1.039 126 I HN 0.360 nan 8.210 nan 0.000 0.474 127 G N 0.994 109.958 108.800 0.274 0.000 2.192 127 G HA2 -0.142 3.819 3.960 0.000 0.000 0.193 127 G HA3 -0.142 3.819 3.960 0.000 0.000 0.193 127 G C 0.108 175.138 174.900 0.216 0.000 0.999 127 G CA -0.350 44.862 45.100 0.186 0.000 0.659 127 G HN 0.199 nan 8.290 nan 0.000 0.503 128 M N 0.312 120.086 119.600 0.290 0.000 2.217 128 M HA 0.492 4.972 4.480 0.000 0.000 0.354 128 M C 1.307 177.933 176.300 0.543 0.000 1.225 128 M CA 0.241 55.725 55.300 0.306 0.000 1.137 128 M CB 0.963 33.645 32.600 0.138 0.000 1.576 128 M HN 0.121 nan 8.290 nan 0.000 0.461 129 R N 0.638 121.402 120.500 0.439 0.000 2.470 129 R HA 0.167 4.507 4.340 0.000 0.000 0.210 129 R C 0.516 177.010 176.300 0.323 0.000 0.873 129 R CA 0.648 56.962 56.100 0.357 0.000 1.015 129 R CB 0.327 30.756 30.300 0.215 0.000 1.348 129 R HN 0.828 nan 8.270 nan 0.000 0.650 130 T N -1.503 113.225 114.554 0.290 0.000 2.932 130 T HA 0.343 4.693 4.350 0.000 0.000 0.289 130 T C 0.759 175.570 174.700 0.185 0.000 1.039 130 T CA -0.730 61.496 62.100 0.209 0.000 1.024 130 T CB 1.918 70.836 68.868 0.084 0.000 1.090 130 T HN -0.195 nan 8.240 nan 0.000 0.496 131 N N 0.819 119.600 118.700 0.135 0.000 2.348 131 N HA -0.044 4.696 4.740 0.000 0.000 0.185 131 N C 1.997 177.512 175.510 0.007 0.000 1.019 131 N CA 1.414 54.491 53.050 0.045 0.000 0.880 131 N CB -0.625 37.879 38.487 0.027 0.000 0.965 131 N HN 0.902 nan 8.380 nan 0.000 0.437 132 G N 0.703 109.516 108.800 0.022 0.000 2.421 132 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 132 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 132 G C 1.228 176.166 174.900 0.064 0.000 1.143 132 G CA 0.385 45.508 45.100 0.038 0.000 0.784 132 G HN 0.192 nan 8.290 nan 0.000 0.541 133 D N 0.794 121.212 120.400 0.030 0.000 2.097 133 D HA -0.074 4.566 4.640 0.000 0.000 0.195 133 D C 2.696 178.925 176.300 -0.117 0.000 0.989 133 D CA 0.506 54.503 54.000 -0.005 0.000 0.827 133 D CB -0.264 40.542 40.800 0.011 0.000 0.966 133 D HN 0.275 nan 8.370 nan 0.000 0.456 134 L N -0.253 120.840 121.223 -0.216 0.000 2.017 134 L HA -0.216 4.124 4.340 0.000 0.000 0.208 134 L C 2.547 179.297 176.870 -0.199 0.000 1.073 134 L CA 1.198 55.794 54.840 -0.407 0.000 0.745 134 L CB -0.698 41.037 42.059 -0.540 0.000 0.894 134 L HN 0.065 nan 8.230 nan 0.000 0.432 135 Y N 1.472 121.667 120.300 -0.175 0.000 2.165 135 Y HA -0.370 4.181 4.550 0.000 0.000 0.286 135 Y C 2.901 178.775 175.900 -0.044 0.000 1.155 135 Y CA 2.221 60.278 58.100 -0.071 0.000 1.164 135 Y CB -0.343 38.093 38.460 -0.040 0.000 0.978 135 Y HN 0.346 nan 8.280 nan 0.000 0.513 136 Q N -0.908 118.920 119.800 0.047 0.000 2.124 136 Q HA -0.067 4.273 4.340 0.000 0.000 0.202 136 Q C 2.354 178.310 176.000 -0.073 0.000 0.977 136 Q CA 1.613 57.400 55.803 -0.027 0.000 0.850 136 Q CB -0.962 27.815 28.738 0.066 0.000 0.901 136 Q HN 0.433 nan 8.270 nan 0.000 0.429 137 G N 0.868 109.608 108.800 -0.100 0.000 2.402 137 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 137 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 137 G C 1.585 176.428 174.900 -0.095 0.000 1.162 137 G CA 0.831 45.876 45.100 -0.092 0.000 0.777 137 G HN 0.534 nan 8.290 nan 0.000 0.539 138 A N 1.005 123.719 122.820 -0.177 0.000 1.902 138 A HA 0.012 4.332 4.320 0.000 0.000 0.217 138 A C 2.329 179.792 177.584 -0.202 0.000 1.181 138 A CA 1.398 53.337 52.037 -0.162 0.000 0.623 138 A CB -0.291 18.653 19.000 -0.092 0.000 0.818 138 A HN 0.278 nan 8.150 nan 0.000 0.443 139 I N -1.415 118.981 120.570 -0.290 0.000 2.315 139 I HA -0.172 3.998 4.170 0.000 0.000 0.248 139 I C 2.310 178.349 176.117 -0.130 0.000 1.117 139 I CA 1.195 62.326 61.300 -0.282 0.000 1.404 139 I CB -1.387 36.392 38.000 -0.369 0.000 1.071 139 I HN 0.448 nan 8.210 nan 0.000 0.419 140 F N 1.748 121.564 119.950 -0.224 0.000 2.186 140 F HA -0.143 4.384 4.527 0.000 0.000 0.299 140 F C 2.257 177.936 175.800 -0.201 0.000 1.090 140 F CA 1.437 59.320 58.000 -0.194 0.000 1.307 140 F CB -0.415 38.483 39.000 -0.170 0.000 1.019 140 F HN -0.074 nan 8.300 nan 0.000 0.489 141 L N -0.780 120.262 121.223 -0.302 0.000 2.217 141 L HA -0.171 4.169 4.340 0.000 0.000 0.211 141 L C 2.252 178.965 176.870 -0.262 0.000 1.107 141 L CA 0.182 54.790 54.840 -0.385 0.000 0.783 141 L CB -0.591 41.365 42.059 -0.172 0.000 0.919 141 L HN 0.172 nan 8.230 nan 0.000 0.442 142 L N -0.355 120.746 121.223 -0.203 0.000 2.046 142 L HA -0.209 4.131 4.340 0.000 0.000 0.208 142 L C 2.325 179.097 176.870 -0.164 0.000 1.077 142 L CA 1.675 56.422 54.840 -0.155 0.000 0.747 142 L CB -0.492 41.460 42.059 -0.180 0.000 0.896 142 L HN 0.125 nan 8.230 nan 0.000 0.432 143 I N -1.190 119.244 120.570 -0.227 0.000 2.252 143 I HA -0.257 3.913 4.170 0.000 0.000 0.245 143 I C 2.480 178.441 176.117 -0.259 0.000 1.102 143 I CA 1.188 62.357 61.300 -0.218 0.000 1.385 143 I CB -1.050 36.831 38.000 -0.199 0.000 1.064 143 I HN 0.219 nan 8.210 nan 0.000 0.414 144 L N 0.613 121.555 121.223 -0.468 0.000 2.083 144 L HA -0.177 4.163 4.340 0.000 0.000 0.209 144 L C 2.790 179.628 176.870 -0.053 0.000 1.083 144 L CA 1.264 55.826 54.840 -0.462 0.000 0.752 144 L CB -0.621 40.803 42.059 -1.059 0.000 0.899 144 L HN 0.189 nan 8.230 nan 0.000 0.433 145 A N -0.559 122.286 122.820 0.042 0.000 1.902 145 A HA -0.204 4.116 4.320 0.000 0.000 0.217 145 A C 2.506 180.172 177.584 0.137 0.000 1.181 145 A CA 2.089 54.266 52.037 0.235 0.000 0.623 145 A CB -0.607 18.484 19.000 0.151 0.000 0.818 145 A HN 0.376 nan 8.150 nan 0.000 0.443 146 S N -0.137 115.586 115.700 0.038 0.000 2.359 146 S HA -0.140 4.330 4.470 0.000 0.000 0.224 146 S C 1.852 176.502 174.600 0.084 0.000 1.035 146 S CA 1.542 59.759 58.200 0.029 0.000 1.018 146 S CB -0.495 62.680 63.200 -0.042 0.000 0.876 146 S HN 0.500 nan 8.310 nan 0.000 0.448 147 L N 0.970 122.233 121.223 0.066 0.000 2.017 147 L HA -0.173 4.167 4.340 0.000 0.000 0.208 147 L C 2.786 179.784 176.870 0.213 0.000 1.073 147 L CA 1.330 56.244 54.840 0.122 0.000 0.745 147 L CB -0.659 41.446 42.059 0.077 0.000 0.894 147 L HN 0.343 nan 8.230 nan 0.000 0.432 148 A N -0.218 122.764 122.820 0.270 0.000 1.933 148 A HA -0.161 4.159 4.320 0.000 0.000 0.218 148 A C 2.227 179.964 177.584 0.255 0.000 1.175 148 A CA 1.388 53.655 52.037 0.382 0.000 0.628 148 A CB -0.619 18.628 19.000 0.412 0.000 0.814 148 A HN 0.371 nan 8.150 nan 0.000 0.444 149 L N -2.298 119.037 121.223 0.186 0.000 2.027 149 L HA -0.114 4.226 4.340 0.000 0.000 0.206 149 L C 2.476 179.397 176.870 0.086 0.000 1.074 149 L CA 1.511 56.428 54.840 0.128 0.000 0.745 149 L CB -0.555 41.567 42.059 0.105 0.000 0.898 149 L HN 0.493 nan 8.230 nan 0.000 0.433 150 F N 1.008 120.948 119.950 -0.017 0.000 2.102 150 F HA -0.229 4.298 4.527 0.000 0.000 0.298 150 F C 2.448 178.205 175.800 -0.072 0.000 1.105 150 F CA 1.277 59.263 58.000 -0.024 0.000 1.239 150 F CB -0.298 38.664 39.000 -0.063 0.000 0.991 150 F HN -0.005 nan 8.300 nan 0.000 0.474 151 A N 0.280 122.964 122.820 -0.227 0.000 1.908 151 A HA -0.077 4.243 4.320 0.000 0.000 0.218 151 A C 2.497 179.477 177.584 -1.007 0.000 1.181 151 A CA 1.732 53.386 52.037 -0.639 0.000 0.627 151 A CB -1.825 16.789 19.000 -0.644 0.000 0.818 151 A HN 0.520 nan 8.150 nan 0.000 0.445 152 G N -1.693 106.601 108.800 -0.843 0.000 2.418 152 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 152 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 152 G C 1.401 176.132 174.900 -0.282 0.000 1.158 152 G CA 1.074 45.880 45.100 -0.490 0.000 0.771 152 G HN 0.730 nan 8.290 nan 0.000 0.545 153 W N 0.829 121.878 121.300 -0.418 0.000 2.381 153 W HA 0.063 4.723 4.660 0.000 0.000 0.301 153 W C 2.149 178.368 176.519 -0.500 0.000 1.205 153 W CA 1.090 58.206 57.345 -0.382 0.000 1.285 153 W CB -0.346 28.876 29.460 -0.396 0.000 1.133 153 W HN 0.142 nan 8.180 nan 0.000 0.521 154 L N 0.337 121.068 121.223 -0.820 0.000 1.994 154 L HA -0.231 4.109 4.340 0.000 0.000 0.208 154 L C 2.318 178.628 176.870 -0.934 0.000 1.071 154 L CA 2.007 56.151 54.840 -1.160 0.000 0.745 154 L CB -1.117 40.201 42.059 -1.235 0.000 0.892 154 L HN 0.046 nan 8.230 nan 0.000 0.431 155 H N -0.574 118.220 119.070 -0.460 0.000 2.562 155 H HA 0.094 4.650 4.556 0.000 0.000 0.274 155 H C 1.612 176.882 175.328 -0.096 0.000 1.038 155 H CA 0.581 56.535 56.048 -0.156 0.000 1.161 155 H CB 0.106 29.897 29.762 0.048 0.000 1.318 155 H HN 0.398 nan 8.280 nan 0.000 0.617 156 L N -0.078 121.011 121.223 -0.224 0.000 2.638 156 L HA 0.060 4.400 4.340 0.000 0.000 0.232 156 L C 0.469 177.191 176.870 -0.248 0.000 1.099 156 L CA 0.102 54.836 54.840 -0.178 0.000 0.883 156 L CB 0.390 42.318 42.059 -0.217 0.000 1.136 156 L HN 0.052 nan 8.230 nan 0.000 0.492 157 Q N 0.266 119.842 119.800 -0.374 0.000 2.327 157 Q HA 0.134 4.474 4.340 0.000 0.000 0.254 157 Q C -1.585 174.365 176.000 -0.085 0.000 0.952 157 Q CA -1.749 53.876 55.803 -0.295 0.000 0.884 157 Q CB 0.647 29.138 28.738 -0.413 0.000 1.224 157 Q HN -0.095 nan 8.270 nan 0.000 0.422 158 P HA -0.262 nan 4.420 nan 0.000 0.218 158 P C 0.464 177.702 177.300 -0.103 0.000 1.165 158 P CA 1.885 64.944 63.100 -0.067 0.000 0.922 158 P CB 0.278 31.942 31.700 -0.061 0.000 0.794 159 K N -1.849 118.455 120.400 -0.160 0.000 2.283 159 K HA -0.033 4.287 4.320 0.000 0.000 0.202 159 K C 1.119 177.338 176.600 -0.635 0.000 1.048 159 K CA 1.253 57.282 56.287 -0.429 0.000 0.948 159 K CB -0.923 31.199 32.500 -0.630 0.000 0.742 159 K HN 0.274 nan 8.250 nan 0.000 0.458 160 F N 0.558 120.423 119.950 -0.141 0.000 2.683 160 F HA 0.274 4.801 4.527 0.000 0.000 0.306 160 F C -0.139 175.652 175.800 -0.014 0.000 1.102 160 F CA -0.813 57.122 58.000 -0.109 0.000 1.244 160 F CB 0.192 39.043 39.000 -0.248 0.000 1.029 160 F HN -0.300 nan 8.300 nan 0.000 0.545 161 R N 2.132 122.678 120.500 0.078 0.000 2.296 161 R HA 0.229 4.569 4.340 0.000 0.000 0.323 161 R C -2.424 173.871 176.300 -0.008 0.000 1.067 161 R CA -1.549 54.604 56.100 0.088 0.000 0.946 161 R CB -0.243 30.092 30.300 0.058 0.000 0.991 161 R HN -0.075 nan 8.270 nan 0.000 0.448 162 P HA -0.067 nan 4.420 nan 0.000 0.267 162 P C -0.235 177.017 177.300 -0.080 0.000 1.200 162 P CA 0.010 62.839 63.100 -0.452 0.000 0.772 162 P CB 0.798 31.747 31.700 -1.251 0.000 0.855 163 S N 2.374 118.020 115.700 -0.090 0.000 2.617 163 S HA 0.121 4.591 4.470 0.000 0.000 0.269 163 S C 1.089 175.800 174.600 0.184 0.000 1.292 163 S CA -0.534 57.700 58.200 0.055 0.000 1.010 163 S CB 0.243 63.449 63.200 0.010 0.000 0.944 163 S HN 0.328 nan 8.310 nan 0.000 0.536 164 L N 2.654 123.966 121.223 0.147 0.000 2.012 164 L HA -0.096 4.244 4.340 0.000 0.000 0.210 164 L C 2.770 179.657 176.870 0.027 0.000 1.073 164 L CA 2.707 57.596 54.840 0.082 0.000 0.748 164 L CB -1.527 40.495 42.059 -0.061 0.000 0.891 164 L HN 1.042 nan 8.230 nan 0.000 0.431 165 S N -1.740 113.969 115.700 0.016 0.000 2.387 165 S HA -0.323 4.147 4.470 0.000 0.000 0.230 165 S C 1.908 176.503 174.600 -0.009 0.000 1.035 165 S CA 1.331 59.525 58.200 -0.010 0.000 1.014 165 S CB -1.634 61.565 63.200 -0.001 0.000 0.836 165 S HN 0.672 nan 8.310 nan 0.000 0.466 166 W N 1.421 122.611 121.300 -0.184 0.000 2.358 166 W HA 0.034 4.694 4.660 0.000 0.000 0.303 166 W C 1.609 177.927 176.519 -0.334 0.000 1.208 166 W CA 1.201 58.370 57.345 -0.294 0.000 1.274 166 W CB -0.517 28.680 29.460 -0.437 0.000 1.138 166 W HN 0.301 nan 8.180 nan 0.000 0.515 167 F N 0.519 120.439 119.950 -0.050 0.000 2.293 167 F HA -0.073 4.455 4.527 0.000 0.000 0.300 167 F C 2.145 177.775 175.800 -0.282 0.000 1.086 167 F CA 1.466 59.346 58.000 -0.201 0.000 1.375 167 F CB -0.359 38.560 39.000 -0.134 0.000 1.045 167 F HN -0.254 nan 8.300 nan 0.000 0.516 168 K N -0.210 120.122 120.400 -0.114 0.000 2.404 168 K HA -0.009 4.311 4.320 0.000 0.000 0.194 168 K C 0.360 176.883 176.600 -0.128 0.000 1.023 168 K CA -0.085 56.131 56.287 -0.117 0.000 1.094 168 K CB -0.185 32.242 32.500 -0.121 0.000 0.841 168 K HN -0.033 nan 8.250 nan 0.000 0.523 169 N N 1.894 120.465 118.700 -0.215 0.000 2.605 169 N HA 0.030 4.770 4.740 0.000 0.000 0.282 169 N C 0.544 175.926 175.510 -0.213 0.000 1.206 169 N CA -0.069 52.857 53.050 -0.207 0.000 1.074 169 N CB 0.605 38.909 38.487 -0.305 0.000 1.434 169 N HN 0.136 nan 8.380 nan 0.000 0.506 170 A N 3.749 126.495 122.820 -0.124 0.000 1.851 170 A HA -0.172 4.148 4.320 0.000 0.000 0.216 170 A C 1.835 179.315 177.584 -0.173 0.000 1.195 170 A CA 1.271 53.218 52.037 -0.149 0.000 0.622 170 A CB -0.317 18.607 19.000 -0.127 0.000 0.831 170 A HN 0.684 nan 8.150 nan 0.000 0.444 171 E N 0.209 120.350 120.200 -0.099 0.000 2.118 171 E HA -0.188 4.162 4.350 0.000 0.000 0.195 171 E C 2.107 178.693 176.600 -0.024 0.000 0.992 171 E CA 1.410 57.770 56.400 -0.068 0.000 0.804 171 E CB -1.000 28.744 29.700 0.074 0.000 0.741 171 E HN 0.506 nan 8.360 nan 0.000 0.458 172 S N 0.473 116.142 115.700 -0.051 0.000 2.383 172 S HA -0.128 4.342 4.470 0.000 0.000 0.227 172 S C 2.058 176.636 174.600 -0.037 0.000 1.026 172 S CA 1.176 59.377 58.200 0.001 0.000 0.981 172 S CB -0.032 63.117 63.200 -0.086 0.000 0.818 172 S HN 0.226 nan 8.310 nan 0.000 0.472 173 R N 0.170 120.521 120.500 -0.248 0.000 2.062 173 R HA 0.113 4.453 4.340 0.000 0.000 0.229 173 R C 2.314 178.368 176.300 -0.409 0.000 1.128 173 R CA 1.257 57.091 56.100 -0.442 0.000 0.960 173 R CB -0.344 29.636 30.300 -0.533 0.000 0.855 173 R HN 0.393 nan 8.270 nan 0.000 0.432 174 L N 0.754 121.815 121.223 -0.270 0.000 2.012 174 L HA -0.254 4.086 4.340 0.000 0.000 0.210 174 L C 2.027 178.866 176.870 -0.052 0.000 1.073 174 L CA 1.494 56.220 54.840 -0.191 0.000 0.748 174 L CB -0.585 41.294 42.059 -0.300 0.000 0.891 174 L HN 0.260 nan 8.230 nan 0.000 0.431 175 N N -0.659 118.058 118.700 0.028 0.000 2.069 175 N HA -0.206 4.534 4.740 0.000 0.000 0.191 175 N C 1.816 177.275 175.510 -0.085 0.000 1.031 175 N CA 1.491 54.541 53.050 0.001 0.000 0.852 175 N CB -0.365 38.113 38.487 -0.015 0.000 1.018 175 N HN 0.369 nan 8.380 nan 0.000 0.423 176 H N -1.251 117.774 119.070 -0.074 0.000 2.423 176 H HA 0.060 4.617 4.556 0.000 0.000 0.297 176 H C 1.653 177.016 175.328 0.058 0.000 1.075 176 H CA 1.299 57.341 56.048 -0.010 0.000 1.342 176 H CB -0.026 29.735 29.762 -0.001 0.000 1.395 176 H HN 0.523 nan 8.280 nan 0.000 0.530 177 H N -0.738 118.284 119.070 -0.079 0.000 2.372 177 H HA -0.006 4.550 4.556 0.000 0.000 0.301 177 H C 1.970 176.954 175.328 -0.573 0.000 1.065 177 H CA 0.654 56.515 56.048 -0.312 0.000 1.364 177 H CB 0.314 29.840 29.762 -0.393 0.000 1.406 177 H HN 0.183 nan 8.280 nan 0.000 0.521 178 L N 0.248 121.296 121.223 -0.293 0.000 1.976 178 L HA -0.147 4.193 4.340 0.000 0.000 0.209 178 L C 2.844 179.698 176.870 -0.027 0.000 1.071 178 L CA 1.126 55.801 54.840 -0.276 0.000 0.746 178 L CB -0.353 41.675 42.059 -0.052 0.000 0.890 178 L HN 0.278 nan 8.230 nan 0.000 0.432 179 A N -0.411 122.422 122.820 0.023 0.000 1.930 179 A HA 0.044 4.364 4.320 0.000 0.000 0.215 179 A C 2.207 179.866 177.584 0.125 0.000 1.176 179 A CA 1.393 53.490 52.037 0.100 0.000 0.632 179 A CB -0.920 18.076 19.000 -0.008 0.000 0.819 179 A HN 0.433 nan 8.150 nan 0.000 0.445 180 G N -0.398 108.457 108.800 0.091 0.000 2.655 180 G HA2 0.121 4.082 3.960 0.000 0.000 0.217 180 G HA3 0.121 4.082 3.960 0.000 0.000 0.217 180 G C 1.392 176.401 174.900 0.182 0.000 1.279 180 G CA 0.662 45.851 45.100 0.149 0.000 0.870 180 G HN 0.381 nan 8.290 nan 0.000 0.560 181 L N 0.124 121.437 121.223 0.150 0.000 2.034 181 L HA -0.073 4.267 4.340 0.000 0.000 0.217 181 L C 2.602 179.699 176.870 0.379 0.000 1.077 181 L CA 1.869 56.813 54.840 0.173 0.000 0.769 181 L CB -0.515 41.523 42.059 -0.034 0.000 0.890 181 L HN 0.366 nan 8.230 nan 0.000 0.435 182 F N -2.106 117.844 119.950 -0.001 0.000 2.222 182 F HA 0.103 4.630 4.527 0.000 0.000 0.285 182 F C 2.353 178.281 175.800 0.213 0.000 1.068 182 F CA 0.175 58.159 58.000 -0.026 0.000 1.265 182 F CB -1.063 37.659 39.000 -0.463 0.000 1.087 182 F HN 0.173 nan 8.300 nan 0.000 0.511 183 G N 0.753 109.836 108.800 0.471 0.000 2.587 183 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 183 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 183 G C 1.600 176.696 174.900 0.326 0.000 1.240 183 G CA 1.293 46.665 45.100 0.453 0.000 0.794 183 G HN 0.155 nan 8.290 nan 0.000 0.580 184 V N 0.862 120.932 119.914 0.259 0.000 2.490 184 V HA -0.155 3.965 4.120 0.000 0.000 0.250 184 V C 3.129 179.363 176.094 0.234 0.000 1.061 184 V CA 2.124 64.557 62.300 0.221 0.000 1.064 184 V CB -0.268 31.669 31.823 0.190 0.000 0.670 184 V HN 0.355 nan 8.190 nan 0.000 0.461 185 S N -0.575 115.278 115.700 0.256 0.000 2.355 185 S HA -0.195 4.275 4.470 0.000 0.000 0.222 185 S C 2.245 177.017 174.600 0.287 0.000 1.031 185 S CA 1.717 60.066 58.200 0.250 0.000 0.993 185 S CB -0.328 63.009 63.200 0.228 0.000 0.859 185 S HN 0.586 nan 8.310 nan 0.000 0.453 186 S N 1.178 117.073 115.700 0.324 0.000 2.368 186 S HA -0.075 4.395 4.470 0.000 0.000 0.225 186 S C 1.858 176.658 174.600 0.334 0.000 1.030 186 S CA 1.004 59.433 58.200 0.381 0.000 0.999 186 S CB -0.446 63.013 63.200 0.432 0.000 0.844 186 S HN 0.360 nan 8.310 nan 0.000 0.459 187 L N 1.945 123.324 121.223 0.260 0.000 2.046 187 L HA 0.090 4.430 4.340 0.000 0.000 0.208 187 L C 2.407 179.383 176.870 0.178 0.000 1.077 187 L CA 2.224 57.174 54.840 0.184 0.000 0.747 187 L CB -1.317 40.832 42.059 0.150 0.000 0.896 187 L HN 0.296 nan 8.230 nan 0.000 0.432 188 A N -1.001 121.947 122.820 0.214 0.000 1.933 188 A HA -0.269 4.051 4.320 0.000 0.000 0.218 188 A C 2.315 180.065 177.584 0.277 0.000 1.175 188 A CA 1.615 53.781 52.037 0.215 0.000 0.628 188 A CB -1.419 17.718 19.000 0.229 0.000 0.814 188 A HN 0.799 nan 8.150 nan 0.000 0.444 189 W N 0.610 121.962 121.300 0.087 0.000 2.388 189 W HA -0.141 4.519 4.660 0.000 0.000 0.294 189 W C 2.290 178.858 176.519 0.082 0.000 1.212 189 W CA 1.316 58.691 57.345 0.050 0.000 1.271 189 W CB -0.067 29.335 29.460 -0.098 0.000 1.126 189 W HN 0.444 nan 8.180 nan 0.000 0.535 190 A N 1.283 124.144 122.820 0.068 0.000 1.883 190 A HA -0.177 4.144 4.320 0.000 0.000 0.217 190 A C 2.207 179.748 177.584 -0.072 0.000 1.186 190 A CA 2.447 54.479 52.037 -0.009 0.000 0.624 190 A CB -1.723 17.327 19.000 0.083 0.000 0.822 190 A HN 0.381 nan 8.150 nan 0.000 0.444 191 G N -1.342 107.458 108.800 -0.000 0.000 2.469 191 G HA2 -0.337 3.623 3.960 0.000 0.000 0.219 191 G HA3 -0.337 3.623 3.960 0.000 0.000 0.219 191 G C 1.486 176.367 174.900 -0.032 0.000 1.150 191 G CA 1.631 46.748 45.100 0.028 0.000 0.763 191 G HN 0.819 nan 8.290 nan 0.000 0.561 192 H N 0.291 119.240 119.070 -0.202 0.000 2.299 192 H HA 0.121 4.677 4.556 0.000 0.000 0.302 192 H C 2.571 177.654 175.328 -0.409 0.000 1.078 192 H CA 1.343 57.198 56.048 -0.322 0.000 1.323 192 H CB -0.279 29.239 29.762 -0.407 0.000 1.381 192 H HN 0.239 nan 8.280 nan 0.000 0.498 193 L N -0.124 120.775 121.223 -0.540 0.000 2.043 193 L HA -0.209 4.131 4.340 0.000 0.000 0.212 193 L C 2.456 179.176 176.870 -0.250 0.000 1.075 193 L CA 1.517 56.112 54.840 -0.409 0.000 0.752 193 L CB -0.382 41.454 42.059 -0.371 0.000 0.891 193 L HN 0.410 nan 8.230 nan 0.000 0.432 194 I N -1.550 118.901 120.570 -0.199 0.000 2.286 194 I HA -0.263 3.907 4.170 0.000 0.000 0.245 194 I C 2.399 178.395 176.117 -0.202 0.000 1.104 194 I CA 1.034 62.232 61.300 -0.171 0.000 1.397 194 I CB -0.294 37.603 38.000 -0.171 0.000 1.072 194 I HN 0.288 nan 8.210 nan 0.000 0.417 195 H N -0.865 118.049 119.070 -0.260 0.000 2.535 195 H HA 0.099 4.655 4.556 0.000 0.000 0.273 195 H C 1.687 176.820 175.328 -0.324 0.000 0.983 195 H CA 1.001 56.907 56.048 -0.237 0.000 1.238 195 H CB 0.975 30.630 29.762 -0.177 0.000 1.412 195 H HN 0.207 nan 8.280 nan 0.000 0.562 196 V N -0.577 119.123 119.914 -0.357 0.000 3.278 196 V HA 0.117 4.237 4.120 0.000 0.000 0.215 196 V C 2.465 178.376 176.094 -0.304 0.000 1.287 196 V CA 0.793 62.833 62.300 -0.433 0.000 1.302 196 V CB -0.577 30.791 31.823 -0.759 0.000 1.228 196 V HN 0.282 nan 8.190 nan 0.000 0.523 197 A N 0.601 123.226 122.820 -0.326 0.000 1.884 197 A HA -0.235 4.085 4.320 0.000 0.000 0.219 197 A C 2.106 179.652 177.584 -0.064 0.000 1.197 197 A CA 2.515 54.500 52.037 -0.087 0.000 0.637 197 A CB -0.703 18.296 19.000 -0.002 0.000 0.827 197 A HN 0.494 nan 8.150 nan 0.000 0.450 198 I N -0.229 120.290 120.570 -0.084 0.000 2.142 198 I HA -0.165 4.005 4.170 0.000 0.000 0.240 198 I C -0.529 175.528 176.117 -0.099 0.000 1.078 198 I CA 1.499 62.764 61.300 -0.059 0.000 1.343 198 I CB -1.059 36.914 38.000 -0.046 0.000 1.046 198 I HN 0.207 nan 8.210 nan 0.000 0.405 199 P HA -0.187 nan 4.420 nan 0.000 0.215 199 P C 1.322 178.562 177.300 -0.101 0.000 1.157 199 P CA 1.410 64.441 63.100 -0.115 0.000 0.874 199 P CB -0.058 31.561 31.700 -0.135 0.000 0.790 200 E N -0.498 119.639 120.200 -0.104 0.000 2.204 200 E HA -0.106 4.244 4.350 0.000 0.000 0.194 200 E C 1.945 178.455 176.600 -0.150 0.000 0.989 200 E CA 1.487 57.844 56.400 -0.073 0.000 0.824 200 E CB -0.591 29.093 29.700 -0.027 0.000 0.756 200 E HN 0.373 nan 8.360 nan 0.000 0.477 201 S N 0.414 115.956 115.700 -0.263 0.000 2.522 201 S HA 0.005 4.475 4.470 0.000 0.000 0.227 201 S C 1.598 176.007 174.600 -0.318 0.000 0.986 201 S CA 0.210 58.021 58.200 -0.648 0.000 0.929 201 S CB -0.045 62.681 63.200 -0.790 0.000 0.769 201 S HN 0.118 nan 8.310 nan 0.000 0.529 202 R N 0.488 120.914 120.500 -0.122 0.000 2.552 202 R HA 0.353 4.693 4.340 0.000 0.000 0.314 202 R C 1.226 177.531 176.300 0.008 0.000 1.041 202 R CA 0.286 56.380 56.100 -0.010 0.000 1.076 202 R CB 0.157 30.411 30.300 -0.077 0.000 1.290 202 R HN 0.501 nan 8.270 nan 0.000 0.563 203 G N 1.498 110.295 108.800 -0.005 0.000 2.168 203 G HA2 -0.362 3.598 3.960 0.000 0.000 0.263 203 G HA3 -0.362 3.598 3.960 0.000 0.000 0.263 203 G C 0.004 174.919 174.900 0.024 0.000 0.977 203 G CA 0.393 45.507 45.100 0.023 0.000 0.659 203 G HN 0.453 nan 8.290 nan 0.000 0.533 204 Q N -0.045 119.756 119.800 0.001 0.000 2.325 204 Q HA 0.524 4.864 4.340 0.000 0.000 0.262 204 Q C -0.239 175.769 176.000 0.013 0.000 0.968 204 Q CA -0.960 54.846 55.803 0.005 0.000 0.877 204 Q CB 0.686 29.405 28.738 -0.032 0.000 1.253 204 Q HN 0.522 nan 8.270 nan 0.000 0.448 205 H N 3.073 122.131 119.070 -0.020 0.000 2.742 205 H HA 0.410 4.966 4.556 0.000 0.000 0.302 205 H C -1.488 173.821 175.328 -0.031 0.000 1.069 205 H CA -0.133 55.902 56.048 -0.022 0.000 1.446 205 H CB 0.677 30.436 29.762 -0.005 0.000 1.462 205 H HN 0.329 nan 8.280 nan 0.000 0.499 206 V N 5.929 125.376 119.914 -0.778 0.000 2.407 206 V HA 0.616 4.736 4.120 0.000 0.000 0.291 206 V C 0.652 176.290 176.094 -0.760 0.000 1.018 206 V CA 0.012 61.922 62.300 -0.649 0.000 0.842 206 V CB 1.309 32.949 31.823 -0.305 0.000 0.996 206 V HN 1.038 nan 8.190 nan 0.000 0.426 207 G N 1.977 110.413 108.800 -0.607 0.000 3.105 207 G HA2 0.476 4.436 3.960 0.000 0.000 0.277 207 G HA3 0.476 4.436 3.960 0.000 0.000 0.277 207 G C -0.365 174.403 174.900 -0.219 0.000 1.375 207 G CA -0.607 44.283 45.100 -0.348 0.000 0.962 207 G HN 0.635 nan 8.290 nan 0.000 0.541 208 W N 0.218 121.512 121.300 -0.012 0.000 2.374 208 W HA -0.020 4.641 4.660 0.000 0.000 0.288 208 W C 2.424 179.074 176.519 0.217 0.000 1.218 208 W CA 1.102 58.459 57.345 0.020 0.000 1.245 208 W CB 0.253 29.677 29.460 -0.060 0.000 1.126 208 W HN 0.656 nan 8.180 nan 0.000 0.545 209 D N 0.399 121.003 120.400 0.339 0.000 2.310 209 D HA -0.176 4.464 4.640 0.000 0.000 0.212 209 D C 1.075 177.494 176.300 0.197 0.000 0.965 209 D CA 1.697 55.848 54.000 0.251 0.000 0.879 209 D CB -0.630 40.297 40.800 0.212 0.000 0.921 209 D HN 0.394 nan 8.370 nan 0.000 0.510 210 N N -0.269 118.543 118.700 0.186 0.000 2.008 210 N HA -0.042 4.698 4.740 0.000 0.000 0.228 210 N C 1.464 177.020 175.510 0.078 0.000 1.375 210 N CA -0.084 53.025 53.050 0.098 0.000 0.856 210 N CB -1.362 37.155 38.487 0.051 0.000 1.096 210 N HN 0.250 nan 8.380 nan 0.000 0.489 211 F N 1.250 121.157 119.950 -0.072 0.000 2.225 211 F HA 0.018 4.545 4.527 0.000 0.000 0.302 211 F C 1.193 176.994 175.800 0.002 0.000 1.068 211 F CA 1.005 58.960 58.000 -0.075 0.000 1.327 211 F CB -0.250 38.645 39.000 -0.174 0.000 1.043 211 F HN 0.004 nan 8.300 nan 0.000 0.506 212 L N 0.623 121.403 121.223 -0.738 0.000 2.313 212 L HA -0.042 4.298 4.340 0.000 0.000 0.214 212 L C 2.080 178.793 176.870 -0.262 0.000 1.119 212 L CA 1.048 55.486 54.840 -0.670 0.000 0.809 212 L CB -0.468 41.256 42.059 -0.559 0.000 0.933 212 L HN 0.461 nan 8.230 nan 0.000 0.449 213 S N -1.608 114.004 115.700 -0.147 0.000 2.588 213 S HA 0.112 4.582 4.470 0.000 0.000 0.245 213 S C 0.408 174.980 174.600 -0.048 0.000 1.021 213 S CA -0.246 57.910 58.200 -0.073 0.000 1.006 213 S CB -0.181 62.995 63.200 -0.040 0.000 0.830 213 S HN 0.305 nan 8.310 nan 0.000 0.468 214 T N -0.233 114.290 114.554 -0.051 0.000 3.109 214 T HA 0.574 4.924 4.350 0.000 0.000 0.311 214 T C -0.499 174.176 174.700 -0.042 0.000 1.011 214 T CA -0.704 61.373 62.100 -0.039 0.000 1.026 214 T CB 0.933 69.778 68.868 -0.038 0.000 1.047 214 T HN 0.256 nan 8.240 nan 0.000 0.448 215 M N 4.483 124.054 119.600 -0.049 0.000 2.242 215 M HA 0.286 4.766 4.480 0.000 0.000 0.344 215 M C -1.468 174.757 176.300 -0.125 0.000 1.140 215 M CA -1.843 53.417 55.300 -0.067 0.000 1.160 215 M CB 1.026 33.612 32.600 -0.023 0.000 1.491 215 M HN 0.464 nan 8.290 nan 0.000 0.459 216 P HA -0.025 nan 4.420 nan 0.000 0.231 216 P C -0.421 176.809 177.300 -0.115 0.000 1.168 216 P CA 1.175 64.107 63.100 -0.280 0.000 0.779 216 P CB 0.247 31.603 31.700 -0.573 0.000 0.844 217 H N -1.942 117.047 119.070 -0.135 0.000 2.865 217 H HA 0.183 4.739 4.556 0.000 0.000 0.362 217 H C -1.968 173.368 175.328 0.014 0.000 1.114 217 H CA -1.853 54.175 56.048 -0.033 0.000 1.208 217 H CB 2.211 31.998 29.762 0.042 0.000 1.727 217 H HN -0.302 nan 8.280 nan 0.000 0.534 218 P HA -0.211 nan 4.420 nan 0.000 0.225 218 P C -0.165 177.164 177.300 0.048 0.000 1.154 218 P CA 2.439 65.458 63.100 -0.135 0.000 0.933 218 P CB 0.277 31.837 31.700 -0.233 0.000 0.790 219 A N -1.213 121.734 122.820 0.211 0.000 3.297 219 A HA 0.564 4.884 4.320 0.000 0.000 0.304 219 A C 0.499 178.256 177.584 0.289 0.000 0.963 219 A CA -0.165 51.988 52.037 0.193 0.000 0.935 219 A CB -0.125 18.956 19.000 0.136 0.000 1.093 219 A HN 0.186 nan 8.150 nan 0.000 0.480 220 G N -0.936 108.057 108.800 0.322 0.000 2.507 220 G HA2 0.520 4.480 3.960 0.000 0.000 0.271 220 G HA3 0.520 4.480 3.960 0.000 0.000 0.271 220 G C 0.492 175.576 174.900 0.306 0.000 1.189 220 G CA -0.028 45.298 45.100 0.377 0.000 0.859 220 G HN 1.097 nan 8.290 nan 0.000 0.542 221 L N -0.475 120.998 121.223 0.417 0.000 3.211 221 L HA -0.249 4.091 4.340 0.000 0.000 0.417 221 L C 2.461 179.679 176.870 0.579 0.000 0.707 221 L CA 2.413 57.517 54.840 0.441 0.000 2.938 221 L CB -1.608 40.656 42.059 0.340 0.000 0.825 221 L HN 0.790 nan 8.230 nan 0.000 0.704 222 A N -0.623 122.436 122.820 0.398 0.000 1.854 222 A HA 0.068 4.388 4.320 0.000 0.000 0.214 222 A C -0.310 177.442 177.584 0.280 0.000 1.192 222 A CA 1.835 54.065 52.037 0.323 0.000 0.611 222 A CB -1.409 17.703 19.000 0.187 0.000 0.832 222 A HN 0.433 nan 8.150 nan 0.000 0.442 223 P HA -0.148 nan 4.420 nan 0.000 0.219 223 P C 1.320 178.748 177.300 0.213 0.000 1.146 223 P CA 0.872 63.980 63.100 0.013 0.000 0.808 223 P CB -0.120 31.346 31.700 -0.390 0.000 0.779 224 F N -0.473 119.616 119.950 0.230 0.000 2.075 224 F HA -0.161 4.366 4.527 0.000 0.000 0.297 224 F C 1.871 177.785 175.800 0.189 0.000 1.113 224 F CA 1.610 59.752 58.000 0.236 0.000 1.218 224 F CB -0.926 38.041 39.000 -0.055 0.000 0.984 224 F HN -0.202 nan 8.300 nan 0.000 0.472 225 F N 0.345 120.352 119.950 0.095 0.000 2.187 225 F HA -0.069 4.458 4.527 0.000 0.000 0.295 225 F C 2.637 178.405 175.800 -0.054 0.000 1.091 225 F CA 1.489 59.454 58.000 -0.059 0.000 1.308 225 F CB -1.298 37.752 39.000 0.083 0.000 1.030 225 F HN 0.013 nan 8.300 nan 0.000 0.487 226 T N -2.426 112.226 114.554 0.164 0.000 3.163 226 T HA 0.252 4.602 4.350 0.000 0.000 0.260 226 T C 1.819 176.483 174.700 -0.059 0.000 1.156 226 T CA 0.637 62.767 62.100 0.051 0.000 1.072 226 T CB -0.584 68.318 68.868 0.057 0.000 0.937 226 T HN 0.530 nan 8.240 nan 0.000 0.528 227 G N 1.784 110.506 108.800 -0.130 0.000 2.184 227 G HA2 -0.301 3.659 3.960 0.000 0.000 0.264 227 G HA3 -0.301 3.659 3.960 0.000 0.000 0.264 227 G C 0.150 174.859 174.900 -0.318 0.000 0.975 227 G CA 0.041 44.904 45.100 -0.396 0.000 0.642 227 G HN 0.641 nan 8.290 nan 0.000 0.536 228 N N 0.909 119.559 118.700 -0.083 0.000 3.254 228 N HA 0.295 5.035 4.740 0.000 0.000 0.308 228 N C 0.976 176.505 175.510 0.032 0.000 1.281 228 N CA -0.339 52.677 53.050 -0.056 0.000 1.212 228 N CB -0.027 38.417 38.487 -0.072 0.000 1.478 228 N HN 0.456 nan 8.380 nan 0.000 0.548 229 W N 0.215 121.431 121.300 -0.140 0.000 2.392 229 W HA 0.050 4.710 4.660 0.000 0.000 0.279 229 W C 2.072 178.514 176.519 -0.127 0.000 1.225 229 W CA 0.320 57.610 57.345 -0.091 0.000 1.233 229 W CB -0.996 28.484 29.460 0.034 0.000 1.122 229 W HN 0.367 nan 8.180 nan 0.000 0.561 230 G N 0.060 108.919 108.800 0.098 0.000 2.498 230 G HA2 -0.124 3.836 3.960 0.000 0.000 0.219 230 G HA3 -0.124 3.836 3.960 0.000 0.000 0.219 230 G C 1.398 176.269 174.900 -0.048 0.000 1.119 230 G CA 1.134 46.253 45.100 0.033 0.000 0.766 230 G HN 0.155 nan 8.290 nan 0.000 0.552 231 V N -0.441 119.368 119.914 -0.175 0.000 2.626 231 V HA -0.158 3.962 4.120 0.000 0.000 0.252 231 V C 2.105 178.064 176.094 -0.225 0.000 1.067 231 V CA 1.046 63.218 62.300 -0.215 0.000 1.081 231 V CB -0.916 30.710 31.823 -0.328 0.000 0.686 231 V HN 0.561 nan 8.190 nan 0.000 0.468 232 Y N 0.082 120.266 120.300 -0.194 0.000 2.561 232 Y HA 0.182 4.732 4.550 0.000 0.000 0.291 232 Y C 2.262 178.081 175.900 -0.135 0.000 1.141 232 Y CA 0.283 58.197 58.100 -0.311 0.000 1.303 232 Y CB -0.009 38.270 38.460 -0.301 0.000 1.015 232 Y HN 0.263 nan 8.280 nan 0.000 0.547 233 A N -0.701 122.151 122.820 0.053 0.000 2.387 233 A HA 0.075 4.395 4.320 0.000 0.000 0.234 233 A C 1.319 178.925 177.584 0.037 0.000 1.253 233 A CA -0.249 51.807 52.037 0.032 0.000 0.894 233 A CB -0.043 18.972 19.000 0.024 0.000 0.963 233 A HN 0.135 nan 8.150 nan 0.000 0.508 234 Q N 1.986 121.824 119.800 0.063 0.000 0.846 234 Q HA -0.140 4.200 4.340 0.000 0.000 0.919 234 Q C 0.360 176.380 176.000 0.033 0.000 0.858 234 Q CA 0.951 56.789 55.803 0.058 0.000 0.914 234 Q CB -0.580 28.223 28.738 0.108 0.000 1.188 234 Q HN 0.797 nan 8.270 nan 0.000 0.174 235 N N 1.795 120.512 118.700 0.030 0.000 2.416 235 N HA 0.107 4.847 4.740 0.000 0.000 0.271 235 N C -2.663 172.837 175.510 -0.018 0.000 1.245 235 N CA -0.895 52.153 53.050 -0.003 0.000 0.940 235 N CB 0.395 38.877 38.487 -0.008 0.000 1.175 235 N HN 0.015 nan 8.380 nan 0.000 0.483 236 P HA 0.162 nan 4.420 nan 0.000 0.302 236 P C -0.701 176.554 177.300 -0.076 0.000 1.301 236 P CA -0.183 62.862 63.100 -0.091 0.000 0.745 236 P CB 0.425 32.001 31.700 -0.207 0.000 1.331 237 D N -1.656 118.706 120.400 -0.062 0.000 2.210 237 D HA 0.313 4.953 4.640 0.000 0.000 0.249 237 D C 0.119 176.458 176.300 0.065 0.000 1.062 237 D CA -0.173 53.830 54.000 0.006 0.000 0.891 237 D CB 0.231 41.109 40.800 0.130 0.000 1.186 237 D HN 0.313 nan 8.370 nan 0.000 0.432 238 T N -1.446 113.163 114.554 0.091 0.000 2.828 238 T HA 0.368 4.718 4.350 0.000 0.000 0.290 238 T C 1.219 176.041 174.700 0.202 0.000 1.019 238 T CA -0.737 61.431 62.100 0.112 0.000 1.031 238 T CB 1.375 70.294 68.868 0.086 0.000 1.001 238 T HN 0.330 nan 8.240 nan 0.000 0.531 239 A N 1.166 124.091 122.820 0.174 0.000 2.259 239 A HA 0.092 4.412 4.320 0.000 0.000 0.212 239 A C 2.110 179.763 177.584 0.115 0.000 1.178 239 A CA 1.087 53.233 52.037 0.181 0.000 0.734 239 A CB -1.013 18.079 19.000 0.153 0.000 0.774 239 A HN 1.150 nan 8.150 nan 0.000 0.481 240 S N -1.761 114.016 115.700 0.129 0.000 2.650 240 S HA 0.141 4.611 4.470 0.000 0.000 0.240 240 S C 0.341 175.050 174.600 0.181 0.000 1.007 240 S CA -0.461 57.814 58.200 0.124 0.000 0.984 240 S CB -0.719 62.543 63.200 0.103 0.000 0.910 240 S HN 0.677 nan 8.310 nan 0.000 0.509 241 H N 1.165 120.290 119.070 0.092 0.000 2.928 241 H HA 0.304 4.860 4.556 0.000 0.000 0.338 241 H C -1.033 174.452 175.328 0.262 0.000 1.047 241 H CA 0.040 56.186 56.048 0.164 0.000 1.435 241 H CB 0.660 30.555 29.762 0.222 0.000 1.428 241 H HN 0.095 nan 8.280 nan 0.000 0.590 242 V N 7.912 127.830 119.914 0.006 0.000 2.333 242 V HA 0.006 4.126 4.120 0.000 0.000 0.274 242 V C 0.008 175.934 176.094 -0.279 0.000 1.028 242 V CA -0.447 61.843 62.300 -0.016 0.000 0.851 242 V CB 0.189 32.065 31.823 0.087 0.000 1.000 242 V HN 0.575 nan 8.190 nan 0.000 0.456 243 F N 4.649 124.413 119.950 -0.309 0.000 2.623 243 F HA 0.410 4.937 4.527 0.000 0.000 0.383 243 F C 1.410 177.231 175.800 0.034 0.000 1.077 243 F CA 1.965 59.818 58.000 -0.246 0.000 1.268 243 F CB 0.650 39.581 39.000 -0.115 0.000 1.053 243 F HN 0.788 nan 8.300 nan 0.000 0.571 244 G N 2.685 111.284 108.800 -0.336 0.000 2.195 244 G HA2 -0.237 3.723 3.960 0.000 0.000 0.246 244 G HA3 -0.237 3.723 3.960 0.000 0.000 0.246 244 G C 0.160 175.074 174.900 0.024 0.000 0.984 244 G CA 0.297 45.355 45.100 -0.070 0.000 0.633 244 G HN 1.138 nan 8.290 nan 0.000 0.525 245 T N -3.264 111.328 114.554 0.063 0.000 2.926 245 T HA 0.818 5.168 4.350 0.000 0.000 0.289 245 T C 1.276 176.080 174.700 0.172 0.000 1.054 245 T CA 0.347 62.510 62.100 0.105 0.000 1.015 245 T CB 1.809 70.736 68.868 0.098 0.000 1.167 245 T HN 1.343 nan 8.240 nan 0.000 0.526 246 A N -0.070 122.817 122.820 0.112 0.000 2.119 246 A HA 0.135 4.455 4.320 0.000 0.000 0.216 246 A C 1.163 178.820 177.584 0.121 0.000 1.152 246 A CA 0.281 52.371 52.037 0.088 0.000 0.708 246 A CB -0.840 18.187 19.000 0.046 0.000 0.805 246 A HN 0.859 nan 8.150 nan 0.000 0.460 247 Q N -0.498 119.397 119.800 0.158 0.000 2.242 247 Q HA 0.350 4.690 4.340 0.000 0.000 0.284 247 Q C 1.035 177.188 176.000 0.255 0.000 1.130 247 Q CA 0.547 56.448 55.803 0.163 0.000 0.940 247 Q CB -0.107 28.713 28.738 0.137 0.000 1.146 247 Q HN 0.720 nan 8.270 nan 0.000 0.388 248 G N 1.625 110.521 108.800 0.160 0.000 2.179 248 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 248 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 248 G C 0.287 175.211 174.900 0.040 0.000 0.977 248 G CA -0.150 45.042 45.100 0.153 0.000 0.641 248 G HN 0.872 nan 8.290 nan 0.000 0.533 249 A N 0.133 122.920 122.820 -0.056 0.000 2.425 249 A HA 0.751 5.071 4.320 0.000 0.000 0.249 249 A C 1.183 178.677 177.584 -0.150 0.000 1.084 249 A CA 1.221 53.086 52.037 -0.288 0.000 0.781 249 A CB 0.588 19.461 19.000 -0.212 0.000 1.019 249 A HN 1.647 nan 8.150 nan 0.000 0.490 250 G N -0.597 108.108 108.800 -0.158 0.000 2.782 250 G HA2 0.475 4.435 3.960 0.000 0.000 0.201 250 G HA3 0.475 4.435 3.960 0.000 0.000 0.201 250 G C 0.668 175.518 174.900 -0.084 0.000 1.374 250 G CA 0.578 45.626 45.100 -0.086 0.000 1.039 250 G HN 1.350 nan 8.290 nan 0.000 0.576 251 T N -3.718 110.802 114.554 -0.057 0.000 3.130 251 T HA 0.552 4.902 4.350 0.000 0.000 0.288 251 T C 0.895 175.611 174.700 0.027 0.000 0.936 251 T CA 0.887 62.936 62.100 -0.085 0.000 0.897 251 T CB -0.045 68.710 68.868 -0.188 0.000 1.178 251 T HN 0.981 nan 8.240 nan 0.000 0.543 252 A N 1.989 124.855 122.820 0.077 0.000 2.483 252 A HA 0.634 4.954 4.320 0.000 0.000 0.238 252 A C 1.234 178.883 177.584 0.108 0.000 1.070 252 A CA -0.036 52.086 52.037 0.141 0.000 0.770 252 A CB -0.251 18.784 19.000 0.058 0.000 1.008 252 A HN 0.891 nan 8.150 nan 0.000 0.497 253 I N -1.777 118.850 120.570 0.096 0.000 4.456 253 I HA 0.445 4.615 4.170 0.000 0.000 0.329 253 I C -0.555 175.528 176.117 -0.057 0.000 1.313 253 I CA 0.035 61.331 61.300 -0.007 0.000 1.205 253 I CB 0.136 38.081 38.000 -0.092 0.000 1.179 253 I HN 0.321 nan 8.210 nan 0.000 0.419 254 L N 2.787 123.970 121.223 -0.067 0.000 2.482 254 L HA 0.586 4.926 4.340 0.000 0.000 0.269 254 L C -0.461 176.320 176.870 -0.148 0.000 0.967 254 L CA -0.168 54.577 54.840 -0.157 0.000 0.851 254 L CB 2.098 43.969 42.059 -0.314 0.000 1.242 254 L HN 0.295 nan 8.230 nan 0.000 0.404 255 T N -1.351 113.175 114.554 -0.047 0.000 2.696 255 T HA 0.587 4.937 4.350 0.000 0.000 0.291 255 T C -0.738 174.136 174.700 0.290 0.000 1.095 255 T CA -0.551 61.588 62.100 0.066 0.000 1.026 255 T CB 2.018 70.905 68.868 0.032 0.000 1.390 255 T HN 0.354 nan 8.240 nan 0.000 0.513 256 F N 0.911 120.965 119.950 0.172 0.000 2.514 256 F HA 0.332 4.859 4.527 0.000 0.000 0.374 256 F C 0.731 176.652 175.800 0.202 0.000 1.532 256 F CA -0.844 57.315 58.000 0.265 0.000 1.082 256 F CB 0.169 39.398 39.000 0.382 0.000 1.610 256 F HN 0.410 nan 8.300 nan 0.000 0.531 257 L N 1.371 122.789 121.223 0.324 0.000 2.027 257 L HA 0.176 4.516 4.340 0.000 0.000 0.206 257 L C 1.402 178.467 176.870 0.325 0.000 1.074 257 L CA 1.336 56.254 54.840 0.129 0.000 0.745 257 L CB -1.001 40.839 42.059 -0.365 0.000 0.898 257 L HN 0.509 nan 8.230 nan 0.000 0.433 258 G N -1.241 107.833 108.800 0.457 0.000 2.781 258 G HA2 0.218 4.178 3.960 0.000 0.000 0.683 258 G HA3 0.218 4.178 3.960 0.000 0.000 0.683 258 G C 0.236 175.380 174.900 0.405 0.000 1.390 258 G CA -0.440 44.947 45.100 0.480 0.000 0.850 258 G HN 0.842 nan 8.290 nan 0.000 0.557 259 G N -0.959 107.957 108.800 0.192 0.000 2.601 259 G HA2 0.254 4.214 3.960 0.000 0.000 0.252 259 G HA3 0.254 4.214 3.960 0.000 0.000 0.252 259 G C -0.042 174.695 174.900 -0.273 0.000 1.294 259 G CA 0.582 45.563 45.100 -0.197 0.000 0.912 259 G HN 1.869 nan 8.290 nan 0.000 0.574 260 F N -0.872 119.188 119.950 0.184 0.000 2.577 260 F HA 0.567 5.094 4.527 0.000 0.000 0.318 260 F C 0.479 176.015 175.800 -0.439 0.000 1.065 260 F CA -0.596 57.327 58.000 -0.129 0.000 0.929 260 F CB 1.819 40.757 39.000 -0.103 0.000 1.237 260 F HN 0.791 nan 8.300 nan 0.000 0.468 261 H N 4.597 123.079 119.070 -0.979 0.000 3.004 261 H HA 0.067 4.623 4.556 0.000 0.000 0.316 261 H C -1.592 173.490 175.328 -0.409 0.000 1.014 261 H CA -1.211 54.055 56.048 -1.304 0.000 1.454 261 H CB 1.095 30.266 29.762 -0.985 0.000 1.472 261 H HN 0.236 nan 8.280 nan 0.000 0.571 262 P HA -0.229 nan 4.420 nan 0.000 0.219 262 P C 1.150 178.486 177.300 0.061 0.000 1.146 262 P CA 1.289 64.396 63.100 0.012 0.000 0.808 262 P CB 0.332 32.059 31.700 0.045 0.000 0.779 263 Q N 0.195 120.115 119.800 0.200 0.000 2.036 263 Q HA -0.065 4.275 4.340 0.000 0.000 0.195 263 Q C 2.216 178.148 176.000 -0.114 0.000 0.971 263 Q CA 2.189 58.087 55.803 0.158 0.000 0.826 263 Q CB -0.476 28.427 28.738 0.274 0.000 0.896 263 Q HN 0.239 nan 8.270 nan 0.000 0.449 264 T N -1.868 112.450 114.554 -0.393 0.000 3.007 264 T HA -0.054 4.296 4.350 0.000 0.000 0.270 264 T C 0.174 174.517 174.700 -0.594 0.000 1.107 264 T CA 1.042 62.515 62.100 -1.046 0.000 1.118 264 T CB -0.182 67.921 68.868 -1.275 0.000 0.889 264 T HN 0.542 nan 8.240 nan 0.000 0.506 265 E N 0.892 120.893 120.200 -0.331 0.000 2.586 265 E HA -0.176 4.174 4.350 0.000 0.000 0.259 265 E C -0.125 176.170 176.600 -0.507 0.000 1.107 265 E CA 0.445 56.641 56.400 -0.341 0.000 0.754 265 E CB -2.120 27.404 29.700 -0.293 0.000 1.335 265 E HN 0.878 nan 8.360 nan 0.000 0.411 266 S N -1.215 114.299 115.700 -0.311 0.000 2.651 266 S HA 0.706 5.176 4.470 0.000 0.000 0.279 266 S C 0.200 174.872 174.600 0.120 0.000 1.148 266 S CA -1.224 56.891 58.200 -0.143 0.000 0.837 266 S CB 1.566 64.670 63.200 -0.160 0.000 1.138 266 S HN 0.182 nan 8.310 nan 0.000 0.478 267 L N 0.305 121.682 121.223 0.256 0.000 2.516 267 L HA 0.078 4.418 4.340 0.000 0.000 0.288 267 L C -0.241 176.729 176.870 0.167 0.000 1.246 267 L CA -0.060 54.925 54.840 0.242 0.000 0.844 267 L CB -0.073 42.114 42.059 0.212 0.000 1.106 267 L HN 0.713 nan 8.230 nan 0.000 0.509 268 W N 1.981 123.438 121.300 0.262 0.000 2.238 268 W HA 0.234 4.894 4.660 0.000 0.000 0.321 268 W C 1.180 177.846 176.519 0.244 0.000 1.293 268 W CA -0.435 57.080 57.345 0.284 0.000 1.204 268 W CB 0.263 29.879 29.460 0.259 0.000 1.167 268 W HN 0.427 nan 8.180 nan 0.000 0.553 269 L N 1.854 123.373 121.223 0.492 0.000 2.042 269 L HA -0.261 4.079 4.340 0.000 0.000 0.210 269 L C 2.621 179.671 176.870 0.299 0.000 1.076 269 L CA 2.052 57.109 54.840 0.363 0.000 0.749 269 L CB -0.845 41.413 42.059 0.331 0.000 0.893 269 L HN 0.692 nan 8.230 nan 0.000 0.432 270 T N -4.415 110.324 114.554 0.308 0.000 2.833 270 T HA -0.190 4.160 4.350 0.000 0.000 0.269 270 T C 1.437 176.259 174.700 0.204 0.000 1.054 270 T CA 1.407 63.626 62.100 0.199 0.000 1.135 270 T CB -0.355 68.599 68.868 0.142 0.000 0.869 270 T HN 0.207 nan 8.240 nan 0.000 0.466 271 D N 1.037 121.600 120.400 0.273 0.000 2.117 271 D HA 0.094 4.734 4.640 0.000 0.000 0.198 271 D C 2.099 178.503 176.300 0.173 0.000 0.982 271 D CA 0.962 55.091 54.000 0.215 0.000 0.828 271 D CB -0.331 40.642 40.800 0.290 0.000 0.967 271 D HN 0.404 nan 8.370 nan 0.000 0.464 272 M N 0.084 119.820 119.600 0.228 0.000 2.175 272 M HA -0.072 4.408 4.480 0.000 0.000 0.264 272 M C 2.181 178.687 176.300 0.344 0.000 1.063 272 M CA 1.115 56.565 55.300 0.249 0.000 1.119 272 M CB -0.058 32.727 32.600 0.308 0.000 1.377 272 M HN -0.014 nan 8.290 nan 0.000 0.415 273 A N -0.729 122.246 122.820 0.259 0.000 1.873 273 A HA -0.215 4.105 4.320 0.000 0.000 0.215 273 A C 1.925 179.633 177.584 0.206 0.000 1.186 273 A CA 1.637 53.796 52.037 0.203 0.000 0.616 273 A CB -1.220 17.826 19.000 0.076 0.000 0.823 273 A HN 0.585 nan 8.150 nan 0.000 0.442 274 H N -1.910 117.179 119.070 0.033 0.000 2.353 274 H HA -0.247 4.309 4.556 0.000 0.000 0.300 274 H C 2.133 177.414 175.328 -0.078 0.000 1.090 274 H CA 1.793 57.813 56.048 -0.046 0.000 1.327 274 H CB -0.089 29.619 29.762 -0.089 0.000 1.383 274 H HN 0.787 nan 8.280 nan 0.000 0.508 275 H N -0.413 118.552 119.070 -0.174 0.000 2.289 275 H HA -0.177 4.379 4.556 0.000 0.000 0.296 275 H C 2.082 177.253 175.328 -0.263 0.000 1.091 275 H CA 2.453 58.305 56.048 -0.327 0.000 1.274 275 H CB -0.292 29.263 29.762 -0.345 0.000 1.364 275 H HN 0.472 nan 8.280 nan 0.000 0.490 276 H N -1.158 117.954 119.070 0.069 0.000 2.389 276 H HA -0.060 4.496 4.556 0.000 0.000 0.299 276 H C 2.112 177.428 175.328 -0.020 0.000 1.081 276 H CA 1.080 57.169 56.048 0.069 0.000 1.345 276 H CB -0.023 29.922 29.762 0.304 0.000 1.393 276 H HN 0.303 nan 8.280 nan 0.000 0.520 277 L N 0.618 121.888 121.223 0.078 0.000 2.056 277 L HA -0.064 4.276 4.340 0.000 0.000 0.207 277 L C 2.326 179.161 176.870 -0.057 0.000 1.078 277 L CA 1.745 56.600 54.840 0.025 0.000 0.749 277 L CB -0.948 41.126 42.059 0.026 0.000 0.901 277 L HN 0.251 nan 8.230 nan 0.000 0.433 278 A N -0.353 122.372 122.820 -0.159 0.000 1.858 278 A HA -0.168 4.152 4.320 0.000 0.000 0.216 278 A C 2.203 179.622 177.584 -0.275 0.000 1.190 278 A CA 1.815 53.720 52.037 -0.219 0.000 0.617 278 A CB -0.805 17.981 19.000 -0.357 0.000 0.827 278 A HN 0.395 nan 8.150 nan 0.000 0.443 279 I N 0.126 120.448 120.570 -0.413 0.000 2.208 279 I HA -0.283 3.887 4.170 0.000 0.000 0.245 279 I C 2.934 178.789 176.117 -0.437 0.000 1.097 279 I CA 1.464 62.431 61.300 -0.555 0.000 1.363 279 I CB -1.444 36.200 38.000 -0.594 0.000 1.051 279 I HN 0.390 nan 8.210 nan 0.000 0.413 280 A N 0.378 123.130 122.820 -0.114 0.000 1.865 280 A HA -0.196 4.124 4.320 0.000 0.000 0.217 280 A C 2.520 180.133 177.584 0.047 0.000 1.191 280 A CA 2.206 54.288 52.037 0.074 0.000 0.623 280 A CB -1.076 17.998 19.000 0.123 0.000 0.826 280 A HN 0.253 nan 8.150 nan 0.000 0.444 281 V N 0.165 120.073 119.914 -0.010 0.000 2.287 281 V HA -0.256 3.864 4.120 0.000 0.000 0.248 281 V C 2.551 178.646 176.094 0.000 0.000 1.053 281 V CA 1.804 64.115 62.300 0.019 0.000 1.027 281 V CB -0.755 31.077 31.823 0.015 0.000 0.646 281 V HN 0.524 nan 8.190 nan 0.000 0.447 282 L N -0.975 120.176 121.223 -0.120 0.000 2.013 282 L HA -0.186 4.154 4.340 0.000 0.000 0.212 282 L C 2.453 179.335 176.870 0.020 0.000 1.073 282 L CA 2.345 57.104 54.840 -0.135 0.000 0.753 282 L CB -1.180 40.674 42.059 -0.342 0.000 0.890 282 L HN 0.298 nan 8.230 nan 0.000 0.432 283 F N -0.258 119.760 119.950 0.113 0.000 2.186 283 F HA -0.113 4.414 4.527 0.000 0.000 0.299 283 F C 2.605 178.492 175.800 0.145 0.000 1.090 283 F CA 0.438 58.528 58.000 0.150 0.000 1.307 283 F CB -0.913 38.216 39.000 0.214 0.000 1.019 283 F HN 0.013 nan 8.300 nan 0.000 0.489 284 I N -0.950 119.813 120.570 0.322 0.000 2.286 284 I HA -0.240 3.930 4.170 0.000 0.000 0.248 284 I C 2.276 178.595 176.117 0.336 0.000 1.115 284 I CA 0.763 62.235 61.300 0.287 0.000 1.392 284 I CB -0.529 37.610 38.000 0.232 0.000 1.065 284 I HN -0.065 nan 8.210 nan 0.000 0.418 285 V N 1.105 121.153 119.914 0.224 0.000 2.270 285 V HA -0.253 3.867 4.120 0.000 0.000 0.245 285 V C 2.736 178.955 176.094 0.208 0.000 1.043 285 V CA 1.981 64.383 62.300 0.171 0.000 1.014 285 V CB -0.846 31.024 31.823 0.078 0.000 0.645 285 V HN 0.483 nan 8.190 nan 0.000 0.447 286 A N 0.426 123.361 122.820 0.191 0.000 2.024 286 A HA -0.100 4.220 4.320 0.000 0.000 0.220 286 A C 2.175 179.833 177.584 0.123 0.000 1.164 286 A CA 1.687 53.815 52.037 0.151 0.000 0.643 286 A CB -0.966 18.170 19.000 0.226 0.000 0.806 286 A HN 0.587 nan 8.150 nan 0.000 0.451 287 G N -2.287 106.604 108.800 0.152 0.000 2.956 287 G HA2 0.090 4.050 3.960 0.000 0.000 0.207 287 G HA3 0.090 4.050 3.960 0.000 0.000 0.207 287 G C 0.529 175.326 174.900 -0.172 0.000 1.162 287 G CA 0.504 45.613 45.100 0.014 0.000 0.796 287 G HN 0.706 nan 8.290 nan 0.000 0.527 288 H N -1.202 117.862 119.070 -0.010 0.000 2.492 288 H HA 0.376 4.932 4.556 0.000 0.000 0.264 288 H C 1.503 176.781 175.328 -0.084 0.000 1.150 288 H CA -0.277 55.751 56.048 -0.032 0.000 0.962 288 H CB 0.756 30.505 29.762 -0.022 0.000 1.766 288 H HN 0.275 nan 8.280 nan 0.000 0.589 289 M N -0.548 118.965 119.600 -0.145 0.000 2.552 289 M HA 0.163 4.643 4.480 0.000 0.000 0.264 289 M C -0.469 175.529 176.300 -0.503 0.000 1.159 289 M CA 0.747 55.790 55.300 -0.430 0.000 1.176 289 M CB 0.622 32.724 32.600 -0.829 0.000 1.327 289 M HN 0.089 nan 8.290 nan 0.000 0.481 290 Y N 0.771 121.100 120.300 0.048 0.000 2.335 290 Y HA 0.382 4.932 4.550 0.000 0.000 0.323 290 Y C 0.206 176.158 175.900 0.087 0.000 1.224 290 Y CA -0.844 57.300 58.100 0.074 0.000 1.241 290 Y CB 0.406 38.882 38.460 0.026 0.000 1.235 290 Y HN 0.005 nan 8.280 nan 0.000 0.492 291 R N 1.646 122.289 120.500 0.238 0.000 2.347 291 R HA 0.195 4.535 4.340 0.000 0.000 0.304 291 R C 0.040 176.427 176.300 0.145 0.000 1.072 291 R CA 0.340 56.538 56.100 0.163 0.000 0.980 291 R CB 0.470 30.835 30.300 0.109 0.000 0.986 291 R HN 1.044 nan 8.270 nan 0.000 0.448 292 T N 0.275 114.930 114.554 0.167 0.000 2.121 292 T HA 0.065 4.415 4.350 0.000 0.000 0.197 292 T C 0.562 175.290 174.700 0.047 0.000 0.822 292 T CA -0.581 61.597 62.100 0.131 0.000 1.195 292 T CB 0.149 69.148 68.868 0.218 0.000 3.009 292 T HN 0.628 nan 8.240 nan 0.000 0.449 293 Q N 0.713 120.460 119.800 -0.088 0.000 2.296 293 Q HA 0.376 4.716 4.340 0.000 0.000 0.273 293 Q C -0.913 174.704 176.000 -0.638 0.000 0.900 293 Q CA -0.279 55.317 55.803 -0.346 0.000 0.993 293 Q CB -0.680 27.806 28.738 -0.420 0.000 1.132 293 Q HN 0.630 nan 8.270 nan 0.000 0.439 294 F N -0.248 119.723 119.950 0.035 0.000 2.815 294 F HA 0.384 4.911 4.527 0.000 0.000 0.323 294 F C 1.217 177.032 175.800 0.026 0.000 1.151 294 F CA -0.596 57.425 58.000 0.034 0.000 1.191 294 F CB 1.067 40.093 39.000 0.043 0.000 1.069 294 F HN 0.301 nan 8.300 nan 0.000 0.514 295 G N 2.338 111.206 108.800 0.114 0.000 2.449 295 G HA2 -0.319 3.642 3.960 0.000 0.000 0.304 295 G HA3 -0.319 3.642 3.960 0.000 0.000 0.304 295 G C -0.030 174.921 174.900 0.085 0.000 0.962 295 G CA 0.925 46.069 45.100 0.074 0.000 0.943 295 G HN 0.544 nan 8.290 nan 0.000 0.514 296 I N -0.981 119.661 120.570 0.119 0.000 2.610 296 I HA 0.659 4.829 4.170 0.000 0.000 0.289 296 I C 0.219 176.395 176.117 0.098 0.000 1.163 296 I CA 0.332 61.686 61.300 0.091 0.000 1.044 296 I CB 1.659 39.719 38.000 0.100 0.000 1.251 296 I HN 1.121 nan 8.210 nan 0.000 0.424 297 G N 5.550 114.387 108.800 0.062 0.000 2.354 297 G HA2 0.033 3.993 3.960 0.000 0.000 0.582 297 G HA3 0.033 3.993 3.960 0.000 0.000 0.582 297 G C -1.617 173.329 174.900 0.077 0.000 1.316 297 G CA -0.914 44.252 45.100 0.109 0.000 0.995 297 G HN 0.789 nan 8.290 nan 0.000 0.573 298 H N -0.571 118.496 119.070 -0.005 0.000 2.482 298 H HA 0.609 5.165 4.556 0.000 0.000 0.344 298 H C -0.117 175.277 175.328 0.109 0.000 1.151 298 H CA 0.338 56.406 56.048 0.033 0.000 1.300 298 H CB 1.835 31.601 29.762 0.007 0.000 1.494 298 H HN 0.492 nan 8.280 nan 0.000 0.542 299 S N 2.735 118.528 115.700 0.154 0.000 2.532 299 S HA 0.171 4.641 4.470 0.000 0.000 0.318 299 S C 1.260 175.865 174.600 0.008 0.000 1.083 299 S CA -0.769 57.453 58.200 0.038 0.000 1.131 299 S CB -0.194 62.967 63.200 -0.064 0.000 0.973 299 S HN 0.549 nan 8.310 nan 0.000 0.468 300 I N 4.163 124.754 120.570 0.035 0.000 2.399 300 I HA -0.194 3.976 4.170 0.000 0.000 0.254 300 I C 2.581 178.610 176.117 -0.146 0.000 1.146 300 I CA 1.082 62.401 61.300 0.032 0.000 1.412 300 I CB -0.134 37.922 38.000 0.094 0.000 1.076 300 I HN 0.662 nan 8.210 nan 0.000 0.432 301 K N 1.396 121.468 120.400 -0.547 0.000 2.025 301 K HA -0.198 4.122 4.320 0.000 0.000 0.207 301 K C 1.875 178.338 176.600 -0.228 0.000 1.049 301 K CA 1.594 57.502 56.287 -0.631 0.000 0.933 301 K CB 0.017 31.998 32.500 -0.865 0.000 0.714 301 K HN 0.397 nan 8.250 nan 0.000 0.438 302 E N 0.228 120.330 120.200 -0.164 0.000 2.150 302 E HA -0.165 4.185 4.350 0.000 0.000 0.193 302 E C 2.023 178.600 176.600 -0.037 0.000 0.985 302 E CA 1.286 57.637 56.400 -0.083 0.000 0.814 302 E CB -0.100 29.558 29.700 -0.070 0.000 0.752 302 E HN 0.361 nan 8.360 nan 0.000 0.466 303 M N -0.307 119.287 119.600 -0.010 0.000 2.319 303 M HA -0.062 4.418 4.480 0.000 0.000 0.265 303 M C 2.078 178.387 176.300 0.015 0.000 1.068 303 M CA 0.923 56.236 55.300 0.022 0.000 1.118 303 M CB 0.022 32.669 32.600 0.079 0.000 1.395 303 M HN 0.096 nan 8.290 nan 0.000 0.435 304 M N 0.110 119.725 119.600 0.026 0.000 2.334 304 M HA -0.064 4.416 4.480 0.000 0.000 0.266 304 M C 0.967 177.315 176.300 0.080 0.000 1.082 304 M CA 1.481 56.831 55.300 0.083 0.000 1.141 304 M CB 0.079 32.746 32.600 0.111 0.000 1.380 304 M HN 0.015 nan 8.290 nan 0.000 0.440 305 D N 0.224 120.642 120.400 0.029 0.000 2.354 305 D HA 0.226 4.866 4.640 0.000 0.000 0.209 305 D C 0.472 176.782 176.300 0.017 0.000 1.015 305 D CA 0.297 54.312 54.000 0.025 0.000 0.867 305 D CB -0.210 40.589 40.800 -0.001 0.000 0.933 305 D HN 0.270 nan 8.370 nan 0.000 0.520 306 A N 1.172 123.995 122.820 0.005 0.000 2.587 306 A HA -0.004 4.316 4.320 0.000 0.000 0.233 306 A C 0.995 178.586 177.584 0.011 0.000 1.049 306 A CA 0.638 52.673 52.037 -0.003 0.000 0.754 306 A CB 0.339 19.330 19.000 -0.015 0.000 0.977 306 A HN -0.087 nan 8.150 nan 0.000 0.509 307 K N 0.891 121.297 120.400 0.010 0.000 2.644 307 K HA 0.184 4.504 4.320 0.000 0.000 0.198 307 K C -1.102 175.514 176.600 0.027 0.000 1.113 307 K CA 0.053 56.354 56.287 0.022 0.000 1.073 307 K CB 0.582 33.096 32.500 0.023 0.000 0.811 307 K HN 0.818 nan 8.250 nan 0.000 0.508 308 D N 0.100 120.513 120.400 0.022 0.000 2.736 308 D HA 0.170 4.810 4.640 0.000 0.000 0.243 308 D C -1.570 174.748 176.300 0.030 0.000 1.304 308 D CA -0.512 53.505 54.000 0.029 0.000 0.934 308 D CB 0.769 41.568 40.800 -0.000 0.000 1.382 308 D HN -0.098 nan 8.370 nan 0.000 0.571 309 F N 6.222 126.109 119.950 -0.104 0.000 2.300 309 F HA 0.383 4.910 4.527 0.000 0.000 0.364 309 F C -0.367 175.409 175.800 -0.041 0.000 1.090 309 F CA -1.004 56.888 58.000 -0.180 0.000 1.200 309 F CB -0.659 38.285 39.000 -0.092 0.000 1.493 309 F HN 0.512 nan 8.300 nan 0.000 0.518 310 F N 3.766 123.521 119.950 -0.325 0.000 3.039 310 F HA -0.241 4.286 4.527 0.000 0.000 0.287 310 F C 1.416 177.098 175.800 -0.196 0.000 0.956 310 F CA 0.689 58.484 58.000 -0.342 0.000 0.971 310 F CB -1.230 37.411 39.000 -0.598 0.000 0.943 310 F HN 0.806 nan 8.300 nan 0.000 0.766 311 G N -1.126 107.697 108.800 0.039 0.000 2.611 311 G HA2 -0.261 3.699 3.960 0.000 0.000 0.208 311 G HA3 -0.261 3.699 3.960 0.000 0.000 0.208 311 G C 0.295 175.224 174.900 0.049 0.000 1.201 311 G CA 0.105 45.228 45.100 0.037 0.000 0.739 311 G HN 1.094 nan 8.290 nan 0.000 0.528 312 T N 0.293 114.894 114.554 0.078 0.000 2.898 312 T HA 0.556 4.906 4.350 0.000 0.000 0.301 312 T C 1.046 175.810 174.700 0.107 0.000 1.049 312 T CA 0.925 63.086 62.100 0.102 0.000 1.095 312 T CB 2.209 71.170 68.868 0.154 0.000 0.976 312 T HN 0.681 nan 8.240 nan 0.000 0.539 313 K N 1.370 121.818 120.400 0.079 0.000 2.051 313 K HA 0.248 4.569 4.320 0.000 0.000 0.206 313 K C 0.125 176.771 176.600 0.077 0.000 0.966 313 K CA 1.085 57.410 56.287 0.064 0.000 1.004 313 K CB -0.661 31.866 32.500 0.045 0.000 1.081 313 K HN 1.497 nan 8.250 nan 0.000 0.574 314 V N -2.784 117.161 119.914 0.051 0.000 3.074 314 V HA -0.089 4.031 4.120 0.000 0.000 0.446 314 V C -0.240 175.871 176.094 0.029 0.000 0.685 314 V CA 0.287 62.604 62.300 0.028 0.000 1.979 314 V CB -0.431 31.398 31.823 0.011 0.000 2.460 314 V HN 0.853 nan 8.190 nan 0.000 0.491 315 E N 2.553 122.770 120.200 0.030 0.000 2.511 315 E HA 0.443 4.793 4.350 0.000 0.000 0.196 315 E C 0.978 177.616 176.600 0.064 0.000 1.066 315 E CA 0.904 57.334 56.400 0.050 0.000 0.871 315 E CB 0.432 30.170 29.700 0.062 0.000 0.863 315 E HN 1.786 nan 8.360 nan 0.000 0.520 316 G N 1.126 109.948 108.800 0.037 0.000 2.325 316 G HA2 -0.096 3.864 3.960 0.000 0.000 0.285 316 G HA3 -0.096 3.864 3.960 0.000 0.000 0.285 316 G C -2.975 171.902 174.900 -0.038 0.000 1.303 316 G CA -1.329 43.784 45.100 0.022 0.000 0.970 316 G HN -0.185 nan 8.290 nan 0.000 0.490 317 P HA 0.368 nan 4.420 nan 0.000 0.262 317 P C 0.404 177.704 177.300 -0.000 0.000 1.182 317 P CA 0.831 63.849 63.100 -0.136 0.000 0.761 317 P CB -0.055 31.465 31.700 -0.301 0.000 0.795 318 F N 2.218 122.064 119.950 -0.174 0.000 3.069 318 F HA -0.331 4.197 4.527 0.000 0.000 0.285 318 F C 0.895 176.645 175.800 -0.083 0.000 0.827 318 F CA 1.386 59.311 58.000 -0.125 0.000 1.108 318 F CB -1.950 37.016 39.000 -0.057 0.000 1.252 318 F HN 0.474 nan 8.300 nan 0.000 0.483 319 N N -0.655 118.024 118.700 -0.035 0.000 2.747 319 N HA -0.215 4.525 4.740 0.000 0.000 0.249 319 N C -0.815 174.750 175.510 0.091 0.000 1.107 319 N CA 1.396 54.442 53.050 -0.005 0.000 0.707 319 N CB -0.473 37.983 38.487 -0.052 0.000 1.054 319 N HN 0.264 nan 8.380 nan 0.000 0.555 320 M N -0.063 119.629 119.600 0.154 0.000 2.383 320 M HA 0.446 4.926 4.480 0.000 0.000 0.325 320 M C -2.322 174.180 176.300 0.336 0.000 1.092 320 M CA -2.283 53.167 55.300 0.251 0.000 0.961 320 M CB 1.178 34.006 32.600 0.380 0.000 1.672 320 M HN -0.175 nan 8.290 nan 0.000 0.438 321 P HA 0.134 nan 4.420 nan 0.000 0.269 321 P C -0.312 177.127 177.300 0.232 0.000 1.252 321 P CA 0.353 63.575 63.100 0.203 0.000 0.780 321 P CB 0.126 31.895 31.700 0.116 0.000 0.829 322 H N 0.046 119.151 119.070 0.060 0.000 2.923 322 H HA 0.043 4.599 4.556 0.000 0.000 0.268 322 H C 0.687 176.042 175.328 0.045 0.000 1.148 322 H CA -0.079 56.002 56.048 0.056 0.000 1.146 322 H CB 0.259 30.053 29.762 0.053 0.000 1.607 322 H HN 0.348 nan 8.280 nan 0.000 0.566 323 Q N 0.981 120.863 119.800 0.136 0.000 2.274 323 Q HA 0.172 4.512 4.340 0.000 0.000 0.280 323 Q C 0.861 176.902 176.000 0.068 0.000 1.047 323 Q CA 0.948 56.803 55.803 0.087 0.000 0.907 323 Q CB 0.760 29.536 28.738 0.064 0.000 1.171 323 Q HN 0.523 nan 8.270 nan 0.000 0.381 324 G N 3.086 111.926 108.800 0.067 0.000 2.258 324 G HA2 -0.315 3.645 3.960 0.000 0.000 0.233 324 G HA3 -0.315 3.645 3.960 0.000 0.000 0.233 324 G C 0.599 175.518 174.900 0.033 0.000 1.006 324 G CA 0.138 45.270 45.100 0.054 0.000 0.620 324 G HN 0.549 nan 8.290 nan 0.000 0.511 325 I N 0.489 121.070 120.570 0.018 0.000 2.335 325 I HA -0.035 4.135 4.170 0.000 0.000 0.251 325 I C 2.185 178.238 176.117 -0.106 0.000 1.129 325 I CA 1.970 63.224 61.300 -0.077 0.000 1.402 325 I CB -0.545 37.412 38.000 -0.072 0.000 1.069 325 I HN 0.495 nan 8.210 nan 0.000 0.424 326 Y N 1.348 121.575 120.300 -0.121 0.000 2.181 326 Y HA -0.268 4.282 4.550 0.000 0.000 0.288 326 Y C 2.365 178.196 175.900 -0.114 0.000 1.146 326 Y CA 1.782 59.797 58.100 -0.142 0.000 1.164 326 Y CB -0.043 38.356 38.460 -0.101 0.000 0.982 326 Y HN 0.143 nan 8.280 nan 0.000 0.515 327 E N -0.399 119.828 120.200 0.045 0.000 2.047 327 E HA -0.128 4.222 4.350 0.000 0.000 0.191 327 E C 2.261 178.788 176.600 -0.122 0.000 0.987 327 E CA 2.016 58.402 56.400 -0.024 0.000 0.799 327 E CB -0.759 28.975 29.700 0.057 0.000 0.752 327 E HN 0.391 nan 8.360 nan 0.000 0.449 328 T N 0.247 114.728 114.554 -0.123 0.000 2.653 328 T HA -0.246 4.104 4.350 0.000 0.000 0.268 328 T C 1.667 176.116 174.700 -0.418 0.000 1.035 328 T CA 1.771 63.776 62.100 -0.159 0.000 1.154 328 T CB -0.582 68.196 68.868 -0.150 0.000 0.862 328 T HN 0.305 nan 8.240 nan 0.000 0.441 329 Y N 1.673 121.487 120.300 -0.809 0.000 2.153 329 Y HA -0.123 4.427 4.550 0.000 0.000 0.289 329 Y C 2.585 178.190 175.900 -0.492 0.000 1.127 329 Y CA 1.406 58.950 58.100 -0.925 0.000 1.131 329 Y CB -0.230 37.699 38.460 -0.885 0.000 0.995 329 Y HN 0.101 nan 8.280 nan 0.000 0.505 330 N N 0.391 118.982 118.700 -0.183 0.000 2.309 330 N HA -0.167 4.573 4.740 0.000 0.000 0.182 330 N C 0.872 176.321 175.510 -0.102 0.000 1.018 330 N CA 1.458 54.388 53.050 -0.201 0.000 0.876 330 N CB -0.234 37.918 38.487 -0.559 0.000 0.972 330 N HN 0.362 nan 8.380 nan 0.000 0.434 331 N N -1.196 117.453 118.700 -0.085 0.000 2.373 331 N HA 0.001 4.741 4.740 0.000 0.000 0.181 331 N C -0.381 175.164 175.510 0.057 0.000 1.082 331 N CA 0.182 53.235 53.050 0.004 0.000 0.885 331 N CB 0.326 38.818 38.487 0.008 0.000 0.977 331 N HN 0.013 nan 8.380 nan 0.000 0.462 332 S N 0.595 116.313 115.700 0.031 0.000 2.474 332 S HA 0.377 4.847 4.470 0.000 0.000 0.321 332 S C 1.115 175.704 174.600 -0.017 0.000 1.080 332 S CA -0.581 57.686 58.200 0.112 0.000 1.106 332 S CB 0.568 63.984 63.200 0.360 0.000 0.984 332 S HN 0.065 nan 8.310 nan 0.000 0.464 333 L N 4.356 125.522 121.223 -0.094 0.000 2.201 333 L HA -0.025 4.315 4.340 0.000 0.000 0.212 333 L C 2.095 178.762 176.870 -0.339 0.000 1.105 333 L CA 0.827 55.499 54.840 -0.280 0.000 0.775 333 L CB -0.379 41.422 42.059 -0.430 0.000 0.913 333 L HN 0.769 nan 8.230 nan 0.000 0.440 334 H N -1.534 117.525 119.070 -0.019 0.000 2.428 334 H HA -0.129 4.427 4.556 0.000 0.000 0.296 334 H C 2.053 177.346 175.328 -0.060 0.000 1.062 334 H CA 1.379 57.448 56.048 0.036 0.000 1.350 334 H CB -0.070 29.788 29.762 0.161 0.000 1.403 334 H HN 0.289 nan 8.280 nan 0.000 0.533 335 F N 2.151 121.987 119.950 -0.189 0.000 2.113 335 F HA -0.185 4.342 4.527 0.000 0.000 0.297 335 F C 2.544 177.951 175.800 -0.656 0.000 1.103 335 F CA 1.258 58.906 58.000 -0.587 0.000 1.248 335 F CB 0.075 38.500 39.000 -0.959 0.000 0.999 335 F HN 0.058 nan 8.300 nan 0.000 0.475 336 Q N -0.206 119.272 119.800 -0.536 0.000 2.050 336 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 336 Q C 2.128 177.619 176.000 -0.848 0.000 0.980 336 Q CA 1.845 57.112 55.803 -0.894 0.000 0.840 336 Q CB -0.602 27.732 28.738 -0.674 0.000 0.898 336 Q HN 0.428 nan 8.270 nan 0.000 0.424 337 L N 0.764 121.679 121.223 -0.514 0.000 2.046 337 L HA -0.053 4.287 4.340 0.000 0.000 0.208 337 L C 2.109 178.801 176.870 -0.297 0.000 1.077 337 L CA 2.273 56.867 54.840 -0.410 0.000 0.747 337 L CB -1.052 40.705 42.059 -0.504 0.000 0.896 337 L HN 0.200 nan 8.230 nan 0.000 0.432 338 G N -1.236 107.420 108.800 -0.240 0.000 2.421 338 G HA2 -0.311 3.650 3.960 0.000 0.000 0.216 338 G HA3 -0.311 3.650 3.960 0.000 0.000 0.216 338 G C 1.508 176.270 174.900 -0.230 0.000 1.171 338 G CA 0.655 45.639 45.100 -0.193 0.000 0.775 338 G HN 0.565 nan 8.290 nan 0.000 0.543 339 W N 0.950 121.953 121.300 -0.496 0.000 2.354 339 W HA -0.129 4.531 4.660 0.000 0.000 0.315 339 W C 2.497 178.984 176.519 -0.054 0.000 1.206 339 W CA 1.652 58.796 57.345 -0.334 0.000 1.290 339 W CB -0.302 28.957 29.460 -0.335 0.000 1.152 339 W HN 0.344 nan 8.180 nan 0.000 0.489 340 H N 0.073 119.191 119.070 0.080 0.000 2.421 340 H HA -0.106 4.450 4.556 0.000 0.000 0.298 340 H C 2.352 177.637 175.328 -0.072 0.000 1.087 340 H CA 1.510 57.573 56.048 0.025 0.000 1.330 340 H CB -0.943 28.831 29.762 0.019 0.000 1.388 340 H HN 0.226 nan 8.280 nan 0.000 0.526 341 L N -0.280 120.942 121.223 -0.001 0.000 2.093 341 L HA -0.086 4.254 4.340 0.000 0.000 0.208 341 L C 2.670 179.486 176.870 -0.090 0.000 1.085 341 L CA 0.881 55.689 54.840 -0.054 0.000 0.755 341 L CB -0.429 41.587 42.059 -0.072 0.000 0.904 341 L HN 0.260 nan 8.230 nan 0.000 0.435 342 A N -0.806 121.908 122.820 -0.176 0.000 1.898 342 A HA -0.218 4.102 4.320 0.000 0.000 0.216 342 A C 2.403 179.876 177.584 -0.186 0.000 1.181 342 A CA 1.765 53.660 52.037 -0.237 0.000 0.620 342 A CB -1.108 17.626 19.000 -0.444 0.000 0.819 342 A HN 0.520 nan 8.150 nan 0.000 0.442 343 C N -1.389 117.809 119.300 -0.170 0.000 2.432 343 C HA -0.063 4.397 4.460 0.000 0.000 0.277 343 C C 2.529 177.479 174.990 -0.067 0.000 1.249 343 C CA 1.132 60.086 59.018 -0.106 0.000 1.725 343 C CB -1.414 26.301 27.740 -0.042 0.000 2.028 343 C HN 0.652 nan 8.230 nan 0.000 0.477 344 L N 1.754 122.948 121.223 -0.049 0.000 2.046 344 L HA 0.054 4.394 4.340 0.000 0.000 0.208 344 L C 2.459 179.299 176.870 -0.050 0.000 1.077 344 L CA 2.305 57.119 54.840 -0.044 0.000 0.747 344 L CB -1.250 40.790 42.059 -0.032 0.000 0.896 344 L HN 0.346 nan 8.230 nan 0.000 0.432 345 G N -1.393 107.376 108.800 -0.051 0.000 2.422 345 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 345 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 345 G C 1.547 176.412 174.900 -0.057 0.000 1.146 345 G CA 0.996 46.070 45.100 -0.045 0.000 0.769 345 G HN 0.316 nan 8.290 nan 0.000 0.547 346 V N 2.036 121.909 119.914 -0.068 0.000 2.270 346 V HA -0.161 3.959 4.120 0.000 0.000 0.245 346 V C 2.724 178.775 176.094 -0.073 0.000 1.043 346 V CA 1.815 64.076 62.300 -0.066 0.000 1.014 346 V CB -0.428 31.353 31.823 -0.071 0.000 0.645 346 V HN 0.630 nan 8.190 nan 0.000 0.447 347 I N -1.920 118.604 120.570 -0.076 0.000 3.001 347 I HA -0.089 4.082 4.170 0.000 0.000 0.268 347 I C 1.958 178.004 176.117 -0.118 0.000 1.267 347 I CA 1.415 62.657 61.300 -0.096 0.000 1.472 347 I CB -0.565 37.385 38.000 -0.084 0.000 1.089 347 I HN 0.172 nan 8.210 nan 0.000 0.468 348 T N 0.026 114.521 114.554 -0.097 0.000 2.896 348 T HA -0.038 4.312 4.350 0.000 0.000 0.263 348 T C 2.044 176.674 174.700 -0.117 0.000 1.050 348 T CA 1.504 63.543 62.100 -0.102 0.000 1.140 348 T CB -0.029 68.815 68.868 -0.040 0.000 0.877 348 T HN 0.391 nan 8.240 nan 0.000 0.457 349 S N 1.004 116.644 115.700 -0.101 0.000 2.368 349 S HA 0.021 4.491 4.470 0.000 0.000 0.224 349 S C 1.902 176.443 174.600 -0.098 0.000 1.029 349 S CA 0.504 58.644 58.200 -0.100 0.000 0.988 349 S CB -0.361 62.799 63.200 -0.066 0.000 0.838 349 S HN 0.227 nan 8.310 nan 0.000 0.462 350 L N 1.538 122.674 121.223 -0.145 0.000 2.012 350 L HA -0.061 4.279 4.340 0.000 0.000 0.210 350 L C 2.214 178.902 176.870 -0.305 0.000 1.073 350 L CA 1.527 56.193 54.840 -0.289 0.000 0.748 350 L CB -0.726 41.135 42.059 -0.329 0.000 0.891 350 L HN 0.122 nan 8.230 nan 0.000 0.431 351 V N -0.283 119.498 119.914 -0.222 0.000 2.332 351 V HA -0.351 3.769 4.120 0.000 0.000 0.248 351 V C 2.693 178.736 176.094 -0.085 0.000 1.055 351 V CA 1.758 63.942 62.300 -0.193 0.000 1.038 351 V CB -1.186 30.447 31.823 -0.315 0.000 0.651 351 V HN 0.612 nan 8.190 nan 0.000 0.450 352 A N -1.079 121.696 122.820 -0.074 0.000 1.873 352 A HA -0.197 4.123 4.320 0.000 0.000 0.215 352 A C 2.183 180.026 177.584 0.431 0.000 1.186 352 A CA 1.378 53.437 52.037 0.037 0.000 0.616 352 A CB -0.405 18.395 19.000 -0.333 0.000 0.823 352 A HN 0.525 nan 8.150 nan 0.000 0.442 353 Q N -0.240 119.794 119.800 0.390 0.000 2.084 353 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 353 Q C 1.779 178.106 176.000 0.545 0.000 0.978 353 Q CA 1.932 58.128 55.803 0.654 0.000 0.844 353 Q CB -0.597 28.409 28.738 0.446 0.000 0.898 353 Q HN 0.908 nan 8.270 nan 0.000 0.426 354 H N -0.886 118.279 119.070 0.158 0.000 2.502 354 H HA 0.145 4.701 4.556 0.000 0.000 0.283 354 H C 1.945 177.292 175.328 0.030 0.000 1.015 354 H CA 0.152 56.219 56.048 0.033 0.000 1.298 354 H CB 0.251 30.022 29.762 0.016 0.000 1.411 354 H HN 0.154 nan 8.280 nan 0.000 0.556 355 M N 0.463 120.210 119.600 0.244 0.000 2.349 355 M HA -0.087 4.393 4.480 0.000 0.000 0.266 355 M C 1.996 178.449 176.300 0.255 0.000 1.076 355 M CA 1.095 56.508 55.300 0.188 0.000 1.126 355 M CB 0.018 32.716 32.600 0.163 0.000 1.392 355 M HN 0.395 nan 8.290 nan 0.000 0.440 356 Y N -0.594 119.877 120.300 0.285 0.000 2.365 356 Y HA 0.027 4.577 4.550 0.000 0.000 0.293 356 Y C 2.355 178.411 175.900 0.260 0.000 1.119 356 Y CA 1.117 59.420 58.100 0.339 0.000 1.203 356 Y CB -0.844 37.925 38.460 0.515 0.000 1.026 356 Y HN 0.176 nan 8.280 nan 0.000 0.549 357 S N 0.082 115.371 115.700 -0.685 0.000 2.458 357 S HA 0.176 4.646 4.470 0.000 0.000 0.223 357 S C 0.671 175.209 174.600 -0.103 0.000 1.019 357 S CA 0.170 58.015 58.200 -0.591 0.000 0.937 357 S CB -0.404 62.267 63.200 -0.881 0.000 0.788 357 S HN 0.382 nan 8.310 nan 0.000 0.511 358 L N 2.293 123.515 121.223 -0.002 0.000 2.784 358 L HA 0.457 4.797 4.340 0.000 0.000 0.241 358 L C -2.908 174.067 176.870 0.176 0.000 1.352 358 L CA -2.170 52.799 54.840 0.215 0.000 0.911 358 L CB 1.037 43.169 42.059 0.122 0.000 1.227 358 L HN -0.038 nan 8.230 nan 0.000 0.501 359 P HA -0.089 nan 4.420 nan 0.000 0.257 359 P C -1.976 175.317 177.300 -0.012 0.000 1.153 359 P CA -0.253 62.844 63.100 -0.006 0.000 0.762 359 P CB 0.254 31.872 31.700 -0.136 0.000 0.743 360 P HA 0.054 nan 4.420 nan 0.000 0.272 360 P C -0.588 176.535 177.300 -0.294 0.000 1.276 360 P CA 0.454 63.401 63.100 -0.254 0.000 0.871 360 P CB 0.583 32.013 31.700 -0.451 0.000 1.313 361 Y N 0.447 120.824 120.300 0.128 0.000 2.377 361 Y HA 0.569 5.119 4.550 0.000 0.000 0.339 361 Y C 0.849 176.798 175.900 0.082 0.000 1.011 361 Y CA -1.645 56.560 58.100 0.175 0.000 1.093 361 Y CB 1.399 40.034 38.460 0.291 0.000 1.201 361 Y HN -0.137 nan 8.280 nan 0.000 0.455 362 A N 2.968 125.880 122.820 0.154 0.000 2.561 362 A HA 0.140 4.460 4.320 0.000 0.000 0.251 362 A C 0.117 177.812 177.584 0.185 0.000 1.062 362 A CA 0.280 52.186 52.037 -0.218 0.000 0.761 362 A CB -1.040 17.598 19.000 -0.603 0.000 0.986 362 A HN 0.968 nan 8.150 nan 0.000 0.510 363 F N -0.412 119.567 119.950 0.048 0.000 2.825 363 F HA -0.298 4.229 4.527 0.000 0.000 0.358 363 F C 1.232 177.145 175.800 0.188 0.000 0.639 363 F CA 0.936 58.991 58.000 0.092 0.000 1.153 363 F CB -1.954 37.072 39.000 0.043 0.000 1.610 363 F HN 0.576 nan 8.300 nan 0.000 0.305 364 I N 0.546 121.294 120.570 0.297 0.000 2.454 364 I HA -0.235 3.935 4.170 0.000 0.000 0.254 364 I C 2.333 178.432 176.117 -0.030 0.000 1.156 364 I CA 1.561 62.823 61.300 -0.063 0.000 1.433 364 I CB -0.129 37.837 38.000 -0.057 0.000 1.082 364 I HN 0.255 nan 8.210 nan 0.000 0.432 365 A N -0.397 122.431 122.820 0.012 0.000 2.178 365 A HA -0.219 4.101 4.320 0.000 0.000 0.218 365 A C 2.105 179.673 177.584 -0.026 0.000 1.157 365 A CA 1.318 53.378 52.037 0.038 0.000 0.689 365 A CB -0.422 18.568 19.000 -0.016 0.000 0.787 365 A HN 0.608 nan 8.150 nan 0.000 0.465 366 Q N -0.850 118.897 119.800 -0.087 0.000 2.376 366 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 366 Q C -0.047 175.632 176.000 -0.536 0.000 0.921 366 Q CA 0.194 55.831 55.803 -0.276 0.000 0.911 366 Q CB 0.334 29.023 28.738 -0.082 0.000 1.032 366 Q HN 0.465 nan 8.270 nan 0.000 0.510 367 D N 0.022 120.255 120.400 -0.278 0.000 2.483 367 D HA -0.020 4.620 4.640 0.000 0.000 0.220 367 D C 0.479 176.600 176.300 -0.298 0.000 1.173 367 D CA 0.012 53.874 54.000 -0.229 0.000 0.964 367 D CB 0.322 41.107 40.800 -0.025 0.000 1.046 367 D HN 0.220 nan 8.370 nan 0.000 0.517 368 H N 1.434 120.267 119.070 -0.394 0.000 2.387 368 H HA -0.086 4.470 4.556 0.000 0.000 0.299 368 H C 1.649 176.782 175.328 -0.324 0.000 1.090 368 H CA 1.255 56.858 56.048 -0.741 0.000 1.332 368 H CB -0.273 28.670 29.762 -1.366 0.000 1.386 368 H HN 0.345 nan 8.280 nan 0.000 0.516 369 T N -0.134 114.349 114.554 -0.118 0.000 2.777 369 T HA -0.148 4.202 4.350 0.000 0.000 0.266 369 T C 2.241 176.893 174.700 -0.079 0.000 1.040 369 T CA 2.027 64.024 62.100 -0.172 0.000 1.141 369 T CB -0.383 68.231 68.868 -0.424 0.000 0.868 369 T HN 0.612 nan 8.240 nan 0.000 0.444 370 T N 0.805 115.389 114.554 0.050 0.000 2.951 370 T HA 0.022 4.372 4.350 0.000 0.000 0.268 370 T C 2.012 176.766 174.700 0.091 0.000 1.073 370 T CA 0.510 62.669 62.100 0.098 0.000 1.134 370 T CB -0.326 68.612 68.868 0.117 0.000 0.884 370 T HN 0.061 nan 8.240 nan 0.000 0.479 371 M N 1.063 120.747 119.600 0.140 0.000 2.200 371 M HA 0.200 4.680 4.480 0.000 0.000 0.265 371 M C 2.848 179.289 176.300 0.236 0.000 1.066 371 M CA 1.469 56.929 55.300 0.266 0.000 1.127 371 M CB -1.398 31.479 32.600 0.462 0.000 1.379 371 M HN 0.539 nan 8.290 nan 0.000 0.420 372 A N 0.334 123.343 122.820 0.315 0.000 1.902 372 A HA -0.003 4.317 4.320 0.000 0.000 0.217 372 A C 2.417 179.971 177.584 -0.051 0.000 1.181 372 A CA 2.032 54.175 52.037 0.177 0.000 0.623 372 A CB -0.869 18.356 19.000 0.376 0.000 0.818 372 A HN 0.461 nan 8.150 nan 0.000 0.443 373 A N -0.221 122.590 122.820 -0.016 0.000 1.877 373 A HA -0.045 4.275 4.320 0.000 0.000 0.216 373 A C 2.167 179.771 177.584 0.033 0.000 1.186 373 A CA 1.496 53.528 52.037 -0.007 0.000 0.620 373 A CB -0.648 18.350 19.000 -0.004 0.000 0.822 373 A HN 0.467 nan 8.150 nan 0.000 0.443 374 L N -2.253 118.998 121.223 0.047 0.000 2.083 374 L HA -0.199 4.141 4.340 0.000 0.000 0.209 374 L C 2.593 179.539 176.870 0.127 0.000 1.083 374 L CA 1.750 56.651 54.840 0.101 0.000 0.752 374 L CB -0.539 41.620 42.059 0.167 0.000 0.899 374 L HN 0.611 nan 8.230 nan 0.000 0.433 375 Y N 0.657 120.845 120.300 -0.186 0.000 2.184 375 Y HA -0.216 4.334 4.550 0.000 0.000 0.290 375 Y C 2.690 178.451 175.900 -0.233 0.000 1.129 375 Y CA 1.985 59.862 58.100 -0.372 0.000 1.144 375 Y CB -0.327 37.398 38.460 -1.226 0.000 0.995 375 Y HN 0.039 nan 8.280 nan 0.000 0.513 376 T N -0.775 113.728 114.554 -0.085 0.000 2.708 376 T HA -0.271 4.079 4.350 0.000 0.000 0.266 376 T C 1.546 176.357 174.700 0.184 0.000 1.037 376 T CA 1.938 64.108 62.100 0.116 0.000 1.146 376 T CB -0.737 68.307 68.868 0.294 0.000 0.865 376 T HN 0.609 nan 8.240 nan 0.000 0.435 377 H N 0.865 119.950 119.070 0.025 0.000 2.265 377 H HA -0.154 4.402 4.556 0.000 0.000 0.295 377 H C 2.152 177.421 175.328 -0.099 0.000 1.084 377 H CA 2.202 58.227 56.048 -0.039 0.000 1.261 377 H CB -0.559 29.089 29.762 -0.190 0.000 1.360 377 H HN 0.573 nan 8.280 nan 0.000 0.487 378 H N -0.739 118.273 119.070 -0.097 0.000 2.457 378 H HA -0.070 4.486 4.556 0.000 0.000 0.294 378 H C 2.194 177.375 175.328 -0.246 0.000 1.064 378 H CA 1.046 56.975 56.048 -0.199 0.000 1.330 378 H CB 0.306 30.015 29.762 -0.087 0.000 1.395 378 H HN 0.407 nan 8.280 nan 0.000 0.541 379 Q N -0.424 119.240 119.800 -0.226 0.000 2.137 379 Q HA -0.106 4.234 4.340 0.000 0.000 0.198 379 Q C 1.678 177.543 176.000 -0.225 0.000 0.960 379 Q CA 1.120 56.742 55.803 -0.302 0.000 0.847 379 Q CB -0.166 28.278 28.738 -0.490 0.000 0.915 379 Q HN 0.611 nan 8.270 nan 0.000 0.448 380 Y N 0.387 120.633 120.300 -0.089 0.000 2.200 380 Y HA -0.181 4.370 4.550 0.000 0.000 0.290 380 Y C 2.229 178.193 175.900 0.106 0.000 1.137 380 Y CA 0.643 58.764 58.100 0.034 0.000 1.163 380 Y CB -0.032 38.486 38.460 0.096 0.000 0.988 380 Y HN 0.059 nan 8.280 nan 0.000 0.518 381 I N -0.209 120.400 120.570 0.064 0.000 2.208 381 I HA -0.337 3.833 4.170 0.000 0.000 0.245 381 I C 2.551 178.715 176.117 0.079 0.000 1.097 381 I CA 1.626 62.938 61.300 0.019 0.000 1.363 381 I CB -1.771 36.141 38.000 -0.148 0.000 1.051 381 I HN 0.189 nan 8.210 nan 0.000 0.413 382 A N 0.816 123.640 122.820 0.006 0.000 1.933 382 A HA -0.102 4.218 4.320 0.000 0.000 0.218 382 A C 2.516 180.090 177.584 -0.017 0.000 1.175 382 A CA 1.851 53.877 52.037 -0.018 0.000 0.628 382 A CB -1.299 17.661 19.000 -0.067 0.000 0.814 382 A HN 0.439 nan 8.150 nan 0.000 0.444 383 G N -1.486 107.287 108.800 -0.046 0.000 2.408 383 G HA2 -0.129 3.831 3.960 0.000 0.000 0.217 383 G HA3 -0.129 3.831 3.960 0.000 0.000 0.217 383 G C 1.365 176.187 174.900 -0.130 0.000 1.150 383 G CA 0.989 46.011 45.100 -0.129 0.000 0.776 383 G HN 0.426 nan 8.290 nan 0.000 0.542 384 F N 0.684 120.616 119.950 -0.031 0.000 2.113 384 F HA 0.079 4.607 4.527 0.000 0.000 0.297 384 F C 2.671 178.474 175.800 0.006 0.000 1.103 384 F CA 0.812 58.810 58.000 -0.003 0.000 1.248 384 F CB -0.267 38.736 39.000 0.005 0.000 0.999 384 F HN 0.001 nan 8.300 nan 0.000 0.475 385 L N -1.004 120.319 121.223 0.167 0.000 1.989 385 L HA -0.284 4.056 4.340 0.000 0.000 0.211 385 L C 2.544 179.446 176.870 0.053 0.000 1.071 385 L CA 1.098 55.986 54.840 0.080 0.000 0.749 385 L CB -0.653 41.425 42.059 0.032 0.000 0.890 385 L HN 0.172 nan 8.230 nan 0.000 0.431 386 M N -0.669 118.952 119.600 0.036 0.000 2.108 386 M HA -0.161 4.319 4.480 0.000 0.000 0.261 386 M C 2.355 178.747 176.300 0.152 0.000 1.066 386 M CA 1.469 56.809 55.300 0.066 0.000 1.107 386 M CB -1.117 31.505 32.600 0.036 0.000 1.356 386 M HN 0.089 nan 8.290 nan 0.000 0.406 387 V N -0.003 119.956 119.914 0.074 0.000 2.427 387 V HA -0.170 3.950 4.120 0.000 0.000 0.248 387 V C 2.590 178.801 176.094 0.195 0.000 1.051 387 V CA 1.989 64.350 62.300 0.101 0.000 1.048 387 V CB -1.553 30.255 31.823 -0.024 0.000 0.666 387 V HN 0.564 nan 8.190 nan 0.000 0.456 388 G N -0.512 108.386 108.800 0.163 0.000 2.408 388 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 388 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 388 G C 1.770 176.757 174.900 0.146 0.000 1.150 388 G CA 0.959 46.158 45.100 0.165 0.000 0.776 388 G HN 0.590 nan 8.290 nan 0.000 0.542 389 A N 0.498 123.355 122.820 0.061 0.000 1.883 389 A HA 0.080 4.400 4.320 0.000 0.000 0.217 389 A C 2.131 179.632 177.584 -0.139 0.000 1.186 389 A CA 1.317 53.304 52.037 -0.084 0.000 0.624 389 A CB -0.554 18.326 19.000 -0.200 0.000 0.822 389 A HN 0.318 nan 8.150 nan 0.000 0.444 390 F N -0.241 119.682 119.950 -0.045 0.000 2.456 390 F HA 0.074 4.601 4.527 0.000 0.000 0.298 390 F C 2.610 178.394 175.800 -0.028 0.000 1.104 390 F CA 0.663 58.634 58.000 -0.048 0.000 1.435 390 F CB -0.081 38.888 39.000 -0.052 0.000 1.078 390 F HN 0.270 nan 8.300 nan 0.000 0.546 391 A N -0.723 122.180 122.820 0.138 0.000 1.872 391 A HA -0.165 4.155 4.320 0.000 0.000 0.214 391 A C 1.978 179.388 177.584 -0.291 0.000 1.187 391 A CA 1.362 53.390 52.037 -0.016 0.000 0.614 391 A CB -0.888 18.046 19.000 -0.111 0.000 0.826 391 A HN 0.363 nan 8.150 nan 0.000 0.442 392 H N -0.709 118.285 119.070 -0.126 0.000 2.495 392 H HA -0.041 4.515 4.556 0.000 0.000 0.287 392 H C 2.315 177.589 175.328 -0.090 0.000 1.033 392 H CA 0.986 56.957 56.048 -0.128 0.000 1.307 392 H CB -0.152 29.575 29.762 -0.059 0.000 1.401 392 H HN 0.531 nan 8.280 nan 0.000 0.555 393 G N 0.325 109.101 108.800 -0.040 0.000 2.394 393 G HA2 -0.145 3.815 3.960 0.000 0.000 0.215 393 G HA3 -0.145 3.815 3.960 0.000 0.000 0.215 393 G C 1.935 176.884 174.900 0.082 0.000 1.165 393 G CA 0.704 45.788 45.100 -0.027 0.000 0.784 393 G HN 0.427 nan 8.290 nan 0.000 0.535 394 A N 0.567 123.400 122.820 0.020 0.000 1.968 394 A HA 0.159 4.479 4.320 0.000 0.000 0.217 394 A C 2.342 179.864 177.584 -0.103 0.000 1.169 394 A CA 0.913 52.977 52.037 0.046 0.000 0.638 394 A CB -0.268 18.846 19.000 0.190 0.000 0.812 394 A HN 0.371 nan 8.150 nan 0.000 0.446 395 I N -1.514 118.814 120.570 -0.403 0.000 2.315 395 I HA -0.197 3.973 4.170 0.000 0.000 0.248 395 I C 2.326 178.254 176.117 -0.314 0.000 1.117 395 I CA 1.393 62.322 61.300 -0.618 0.000 1.404 395 I CB -0.350 37.002 38.000 -1.080 0.000 1.071 395 I HN 0.489 nan 8.210 nan 0.000 0.419 396 F N 1.892 121.725 119.950 -0.195 0.000 2.095 396 F HA -0.213 4.314 4.527 0.000 0.000 0.298 396 F C 2.109 177.947 175.800 0.065 0.000 1.104 396 F CA 1.692 59.700 58.000 0.014 0.000 1.232 396 F CB -0.431 38.632 39.000 0.105 0.000 0.987 396 F HN -0.111 nan 8.300 nan 0.000 0.475 397 L N -0.440 120.593 121.223 -0.318 0.000 2.191 397 L HA -0.175 4.165 4.340 0.000 0.000 0.212 397 L C 2.236 179.007 176.870 -0.165 0.000 1.103 397 L CA 0.766 55.399 54.840 -0.346 0.000 0.769 397 L CB -0.564 41.434 42.059 -0.102 0.000 0.908 397 L HN 0.119 nan 8.230 nan 0.000 0.438 398 V N -0.831 119.022 119.914 -0.102 0.000 2.599 398 V HA -0.087 4.033 4.120 0.000 0.000 0.245 398 V C 2.250 178.316 176.094 -0.047 0.000 1.046 398 V CA 1.298 63.588 62.300 -0.016 0.000 1.065 398 V CB -0.167 31.702 31.823 0.077 0.000 0.703 398 V HN 0.347 nan 8.190 nan 0.000 0.464 399 R N -0.812 119.624 120.500 -0.105 0.000 2.254 399 R HA 0.108 4.448 4.340 0.000 0.000 0.193 399 R C 1.149 177.413 176.300 -0.059 0.000 0.929 399 R CA 0.611 56.668 56.100 -0.071 0.000 1.038 399 R CB 0.282 30.532 30.300 -0.084 0.000 1.009 399 R HN 0.384 nan 8.270 nan 0.000 0.512 400 D N -1.369 118.954 120.400 -0.128 0.000 2.473 400 D HA -0.031 4.609 4.640 0.000 0.000 0.242 400 D C -0.525 175.667 176.300 -0.180 0.000 1.106 400 D CA 0.032 53.983 54.000 -0.082 0.000 0.854 400 D CB 0.230 41.106 40.800 0.127 0.000 1.192 400 D HN -0.012 nan 8.370 nan 0.000 0.503 401 Y N 2.657 122.599 120.300 -0.597 0.000 2.605 401 Y HA 0.182 4.732 4.550 0.000 0.000 0.336 401 Y C -0.348 175.445 175.900 -0.178 0.000 1.111 401 Y CA -0.560 57.252 58.100 -0.480 0.000 1.422 401 Y CB 0.282 38.381 38.460 -0.601 0.000 1.193 401 Y HN -0.274 nan 8.280 nan 0.000 0.526 402 D N 8.793 128.825 120.400 -0.613 0.000 2.427 402 D HA 0.321 4.961 4.640 0.000 0.000 0.226 402 D C -2.097 173.718 176.300 -0.807 0.000 1.076 402 D CA -2.462 51.213 54.000 -0.542 0.000 0.849 402 D CB 1.702 42.351 40.800 -0.252 0.000 1.052 402 D HN 0.295 nan 8.370 nan 0.000 0.515 403 P HA -0.192 nan 4.420 nan 0.000 0.215 403 P C 1.142 178.306 177.300 -0.227 0.000 1.157 403 P CA 1.655 64.463 63.100 -0.487 0.000 0.874 403 P CB 0.151 31.742 31.700 -0.181 0.000 0.790 404 A N -0.425 122.292 122.820 -0.172 0.000 1.903 404 A HA -0.300 4.020 4.320 0.000 0.000 0.219 404 A C 2.097 179.635 177.584 -0.077 0.000 1.191 404 A CA 2.012 53.993 52.037 -0.093 0.000 0.638 404 A CB -1.608 17.345 19.000 -0.078 0.000 0.823 404 A HN 0.236 nan 8.150 nan 0.000 0.451 405 Q N -1.164 118.573 119.800 -0.105 0.000 2.415 405 Q HA 0.089 4.429 4.340 0.000 0.000 0.206 405 Q C 0.353 176.337 176.000 -0.026 0.000 0.946 405 Q CA 0.675 56.444 55.803 -0.057 0.000 0.951 405 Q CB 0.076 28.782 28.738 -0.053 0.000 1.026 405 Q HN 0.799 nan 8.270 nan 0.000 0.510 406 N N -0.793 117.890 118.700 -0.028 0.000 2.118 406 N HA 0.054 4.794 4.740 0.000 0.000 0.226 406 N C -0.799 174.766 175.510 0.091 0.000 1.305 406 N CA -0.215 52.877 53.050 0.070 0.000 0.890 406 N CB 0.695 39.313 38.487 0.217 0.000 1.118 406 N HN -0.069 nan 8.380 nan 0.000 0.511 407 K N 0.701 121.130 120.400 0.048 0.000 2.491 407 K HA 0.093 4.413 4.320 0.000 0.000 0.279 407 K C 1.014 177.653 176.600 0.065 0.000 1.026 407 K CA 1.326 57.649 56.287 0.060 0.000 1.070 407 K CB -0.061 32.459 32.500 0.033 0.000 0.887 407 K HN 0.294 nan 8.250 nan 0.000 0.481 408 G N 2.655 111.502 108.800 0.078 0.000 2.241 408 G HA2 -0.333 3.627 3.960 0.000 0.000 0.244 408 G HA3 -0.333 3.627 3.960 0.000 0.000 0.244 408 G C -0.043 174.903 174.900 0.078 0.000 0.998 408 G CA 0.373 45.516 45.100 0.072 0.000 0.621 408 G HN 0.837 nan 8.290 nan 0.000 0.519 409 N N 0.528 119.278 118.700 0.082 0.000 2.405 409 N HA 0.474 5.214 4.740 0.000 0.000 0.269 409 N C 1.862 177.406 175.510 0.057 0.000 1.249 409 N CA 0.770 53.858 53.050 0.063 0.000 0.974 409 N CB 0.383 38.897 38.487 0.046 0.000 1.204 409 N HN 0.888 nan 8.380 nan 0.000 0.565 410 V N -2.363 117.546 119.914 -0.008 0.000 2.380 410 V HA -0.224 3.896 4.120 0.000 0.000 0.251 410 V C 2.172 178.299 176.094 0.054 0.000 1.063 410 V CA 1.526 63.828 62.300 0.002 0.000 1.055 410 V CB -1.226 30.527 31.823 -0.117 0.000 0.657 410 V HN 0.618 nan 8.190 nan 0.000 0.455 411 L N 0.432 121.693 121.223 0.064 0.000 2.017 411 L HA -0.184 4.156 4.340 0.000 0.000 0.208 411 L C 2.617 179.539 176.870 0.087 0.000 1.073 411 L CA 2.569 57.465 54.840 0.093 0.000 0.745 411 L CB -0.510 41.647 42.059 0.162 0.000 0.894 411 L HN 0.500 nan 8.230 nan 0.000 0.432 412 D N -0.265 120.226 120.400 0.151 0.000 2.117 412 D HA -0.213 4.427 4.640 0.000 0.000 0.197 412 D C 2.243 178.623 176.300 0.133 0.000 0.987 412 D CA 1.392 55.496 54.000 0.173 0.000 0.829 412 D CB 0.069 40.981 40.800 0.185 0.000 0.961 412 D HN 0.119 nan 8.370 nan 0.000 0.460 413 R N -0.267 120.313 120.500 0.133 0.000 2.083 413 R HA -0.101 4.239 4.340 0.000 0.000 0.237 413 R C 2.472 178.924 176.300 0.254 0.000 1.137 413 R CA 1.281 57.486 56.100 0.175 0.000 0.951 413 R CB -0.469 29.922 30.300 0.152 0.000 0.851 413 R HN 0.153 nan 8.270 nan 0.000 0.434 414 V N 1.559 121.556 119.914 0.138 0.000 2.287 414 V HA -0.253 3.867 4.120 0.000 0.000 0.248 414 V C 2.319 178.321 176.094 -0.153 0.000 1.053 414 V CA 1.747 64.007 62.300 -0.067 0.000 1.027 414 V CB -0.426 31.370 31.823 -0.045 0.000 0.646 414 V HN 0.300 nan 8.190 nan 0.000 0.447 415 L N -0.482 120.722 121.223 -0.033 0.000 2.079 415 L HA -0.209 4.131 4.340 0.000 0.000 0.210 415 L C 2.719 179.607 176.870 0.029 0.000 1.081 415 L CA 1.226 56.052 54.840 -0.022 0.000 0.752 415 L CB -0.685 41.372 42.059 -0.003 0.000 0.896 415 L HN 0.320 nan 8.230 nan 0.000 0.433 416 Q N -0.174 119.686 119.800 0.101 0.000 2.226 416 Q HA -0.161 4.179 4.340 0.000 0.000 0.204 416 Q C 1.262 177.372 176.000 0.182 0.000 0.975 416 Q CA 1.241 57.128 55.803 0.140 0.000 0.866 416 Q CB -0.362 28.470 28.738 0.158 0.000 0.915 416 Q HN 0.742 nan 8.270 nan 0.000 0.440 417 H N -1.739 117.352 119.070 0.035 0.000 2.492 417 H HA 0.275 4.831 4.556 0.000 0.000 0.264 417 H C 1.071 176.419 175.328 0.033 0.000 1.150 417 H CA -0.040 56.026 56.048 0.030 0.000 0.962 417 H CB -0.077 29.697 29.762 0.019 0.000 1.766 417 H HN 0.179 nan 8.280 nan 0.000 0.589 418 K N 1.499 121.853 120.400 -0.077 0.000 2.074 418 K HA -0.213 4.107 4.320 0.000 0.000 0.209 418 K C 1.278 177.874 176.600 -0.008 0.000 1.048 418 K CA 1.930 58.169 56.287 -0.081 0.000 0.926 418 K CB -0.013 32.465 32.500 -0.037 0.000 0.713 418 K HN 0.269 nan 8.250 nan 0.000 0.444 419 E N 1.280 121.503 120.200 0.038 0.000 2.208 419 E HA -0.110 4.240 4.350 0.000 0.000 0.193 419 E C 2.093 178.754 176.600 0.103 0.000 0.988 419 E CA 1.155 57.592 56.400 0.062 0.000 0.828 419 E CB -0.338 29.399 29.700 0.061 0.000 0.763 419 E HN 0.472 nan 8.360 nan 0.000 0.478 420 A N 2.138 125.033 122.820 0.124 0.000 1.855 420 A HA -0.082 4.238 4.320 0.000 0.000 0.215 420 A C 2.433 180.126 177.584 0.182 0.000 1.191 420 A CA 1.278 53.422 52.037 0.177 0.000 0.613 420 A CB -0.730 18.370 19.000 0.167 0.000 0.829 420 A HN 0.191 nan 8.150 nan 0.000 0.442 421 I N -0.334 120.285 120.570 0.082 0.000 2.127 421 I HA -0.290 3.880 4.170 0.000 0.000 0.241 421 I C 2.359 178.537 176.117 0.103 0.000 1.075 421 I CA 1.602 62.932 61.300 0.050 0.000 1.334 421 I CB -0.400 37.566 38.000 -0.056 0.000 1.040 421 I HN 0.308 nan 8.210 nan 0.000 0.405 422 I N 0.601 121.215 120.570 0.074 0.000 2.226 422 I HA -0.286 3.884 4.170 0.000 0.000 0.245 422 I C 2.808 178.986 176.117 0.102 0.000 1.100 422 I CA 1.710 63.048 61.300 0.063 0.000 1.374 422 I CB -0.419 37.600 38.000 0.031 0.000 1.057 422 I HN 0.320 nan 8.210 nan 0.000 0.413 423 S N -0.039 115.742 115.700 0.135 0.000 2.382 423 S HA -0.262 4.208 4.470 0.000 0.000 0.228 423 S C 1.901 176.592 174.600 0.151 0.000 1.027 423 S CA 1.412 59.685 58.200 0.123 0.000 0.991 423 S CB -0.720 62.546 63.200 0.110 0.000 0.823 423 S HN 0.464 nan 8.310 nan 0.000 0.469 424 H N 1.249 120.396 119.070 0.128 0.000 2.363 424 H HA 0.266 4.822 4.556 0.000 0.000 0.301 424 H C 2.057 177.535 175.328 0.250 0.000 1.074 424 H CA 1.417 57.591 56.048 0.210 0.000 1.354 424 H CB -0.415 29.447 29.762 0.167 0.000 1.397 424 H HN 0.247 nan 8.280 nan 0.000 0.516 425 L N -0.596 120.785 121.223 0.264 0.000 2.079 425 L HA -0.225 4.115 4.340 0.000 0.000 0.210 425 L C 2.547 179.473 176.870 0.094 0.000 1.081 425 L CA 1.341 56.282 54.840 0.167 0.000 0.752 425 L CB -0.336 41.766 42.059 0.071 0.000 0.896 425 L HN 0.284 nan 8.230 nan 0.000 0.433 426 S N -0.833 114.919 115.700 0.087 0.000 2.368 426 S HA -0.259 4.211 4.470 0.000 0.000 0.225 426 S C 1.689 176.330 174.600 0.067 0.000 1.030 426 S CA 1.377 59.598 58.200 0.034 0.000 0.999 426 S CB -0.389 62.836 63.200 0.042 0.000 0.844 426 S HN 0.566 nan 8.310 nan 0.000 0.459 427 W N 2.086 123.377 121.300 -0.014 0.000 2.354 427 W HA -0.117 4.543 4.660 0.000 0.000 0.315 427 W C 1.916 178.479 176.519 0.074 0.000 1.206 427 W CA 1.677 59.019 57.345 -0.005 0.000 1.290 427 W CB -0.861 28.537 29.460 -0.103 0.000 1.152 427 W HN 0.102 nan 8.180 nan 0.000 0.489 428 V N 0.855 120.655 119.914 -0.190 0.000 2.332 428 V HA -0.360 3.760 4.120 0.000 0.000 0.248 428 V C 2.405 178.301 176.094 -0.330 0.000 1.055 428 V CA 2.307 64.352 62.300 -0.425 0.000 1.038 428 V CB -1.514 30.231 31.823 -0.130 0.000 0.651 428 V HN 0.223 nan 8.190 nan 0.000 0.450 429 S N -0.012 115.565 115.700 -0.206 0.000 2.348 429 S HA -0.143 4.327 4.470 0.000 0.000 0.221 429 S C 1.914 176.372 174.600 -0.238 0.000 1.033 429 S CA 1.343 59.416 58.200 -0.213 0.000 1.010 429 S CB -0.427 62.640 63.200 -0.221 0.000 0.891 429 S HN 0.338 nan 8.310 nan 0.000 0.442 430 L N 0.834 121.921 121.223 -0.227 0.000 2.012 430 L HA -0.047 4.293 4.340 0.000 0.000 0.210 430 L C 2.010 178.826 176.870 -0.091 0.000 1.073 430 L CA 1.583 56.264 54.840 -0.265 0.000 0.748 430 L CB -1.256 40.755 42.059 -0.080 0.000 0.891 430 L HN 0.261 nan 8.230 nan 0.000 0.431 431 F N -0.234 119.518 119.950 -0.330 0.000 2.046 431 F HA -0.233 4.294 4.527 0.000 0.000 0.297 431 F C 2.370 178.135 175.800 -0.059 0.000 1.123 431 F CA 1.545 59.403 58.000 -0.237 0.000 1.199 431 F CB -0.749 37.774 39.000 -0.795 0.000 0.972 431 F HN -0.012 nan 8.300 nan 0.000 0.474 432 L N -0.191 120.887 121.223 -0.242 0.000 2.013 432 L HA -0.210 4.130 4.340 0.000 0.000 0.212 432 L C 2.748 179.535 176.870 -0.140 0.000 1.073 432 L CA 1.624 56.312 54.840 -0.254 0.000 0.753 432 L CB -1.523 40.405 42.059 -0.218 0.000 0.890 432 L HN 0.365 nan 8.230 nan 0.000 0.432 433 G N -0.841 107.874 108.800 -0.142 0.000 2.433 433 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 433 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 433 G C 1.487 176.331 174.900 -0.093 0.000 1.186 433 G CA 0.532 45.561 45.100 -0.118 0.000 0.779 433 G HN 0.243 nan 8.290 nan 0.000 0.543 434 F N 0.499 120.342 119.950 -0.178 0.000 2.120 434 F HA -0.135 4.392 4.527 0.000 0.000 0.300 434 F C 2.793 178.377 175.800 -0.360 0.000 1.095 434 F CA 1.644 59.477 58.000 -0.278 0.000 1.249 434 F CB -0.100 38.659 39.000 -0.402 0.000 0.995 434 F HN 0.224 nan 8.300 nan 0.000 0.480 435 H N -1.763 117.368 119.070 0.103 0.000 2.384 435 H HA -0.067 4.489 4.556 0.000 0.000 0.300 435 H C 2.202 177.505 175.328 -0.043 0.000 1.057 435 H CA 1.617 57.652 56.048 -0.021 0.000 1.370 435 H CB -0.519 29.140 29.762 -0.171 0.000 1.417 435 H HN 0.022 nan 8.280 nan 0.000 0.527 436 T N 1.351 115.918 114.554 0.021 0.000 2.708 436 T HA -0.142 4.208 4.350 0.000 0.000 0.266 436 T C 2.014 176.780 174.700 0.109 0.000 1.037 436 T CA 1.251 63.357 62.100 0.011 0.000 1.146 436 T CB -0.334 68.536 68.868 0.003 0.000 0.865 436 T HN 0.113 nan 8.240 nan 0.000 0.435 437 L N 1.520 122.801 121.223 0.096 0.000 2.083 437 L HA 0.132 4.472 4.340 0.000 0.000 0.209 437 L C 2.502 179.458 176.870 0.144 0.000 1.083 437 L CA 1.964 56.881 54.840 0.128 0.000 0.752 437 L CB -1.139 40.964 42.059 0.075 0.000 0.899 437 L HN 0.267 nan 8.230 nan 0.000 0.433 438 G N -0.180 108.683 108.800 0.105 0.000 2.418 438 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 438 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 438 G C 1.557 176.524 174.900 0.112 0.000 1.158 438 G CA 1.131 46.291 45.100 0.101 0.000 0.771 438 G HN 0.438 nan 8.290 nan 0.000 0.545 439 L N -1.195 120.069 121.223 0.069 0.000 2.056 439 L HA -0.054 4.286 4.340 0.000 0.000 0.207 439 L C 2.690 179.614 176.870 0.089 0.000 1.078 439 L CA 1.002 55.860 54.840 0.030 0.000 0.749 439 L CB -0.586 41.427 42.059 -0.077 0.000 0.901 439 L HN 0.215 nan 8.230 nan 0.000 0.433 440 Y N -0.302 120.042 120.300 0.073 0.000 2.181 440 Y HA -0.234 4.316 4.550 0.000 0.000 0.288 440 Y C 2.603 178.556 175.900 0.089 0.000 1.146 440 Y CA 1.201 59.348 58.100 0.079 0.000 1.164 440 Y CB -0.289 38.178 38.460 0.011 0.000 0.982 440 Y HN -0.124 nan 8.280 nan 0.000 0.515 441 V N -0.548 119.507 119.914 0.235 0.000 2.427 441 V HA -0.325 3.795 4.120 0.000 0.000 0.248 441 V C 2.065 178.221 176.094 0.103 0.000 1.051 441 V CA 2.309 64.692 62.300 0.138 0.000 1.048 441 V CB -0.804 31.081 31.823 0.104 0.000 0.666 441 V HN 0.495 nan 8.190 nan 0.000 0.456 442 H N 1.375 120.470 119.070 0.041 0.000 2.290 442 H HA -0.163 4.393 4.556 0.000 0.000 0.298 442 H C 2.250 177.573 175.328 -0.008 0.000 1.087 442 H CA 2.403 58.454 56.048 0.006 0.000 1.291 442 H CB -0.132 29.634 29.762 0.006 0.000 1.369 442 H HN 0.371 nan 8.280 nan 0.000 0.492 443 N N 0.804 119.535 118.700 0.052 0.000 2.069 443 N HA -0.162 4.578 4.740 0.000 0.000 0.191 443 N C 1.615 177.079 175.510 -0.078 0.000 1.031 443 N CA 1.406 54.447 53.050 -0.014 0.000 0.852 443 N CB -0.517 38.059 38.487 0.148 0.000 1.018 443 N HN 0.526 nan 8.380 nan 0.000 0.423 444 D N 0.473 120.901 120.400 0.048 0.000 2.106 444 D HA -0.110 4.530 4.640 0.000 0.000 0.191 444 D C 2.003 178.184 176.300 -0.198 0.000 0.997 444 D CA 0.988 54.996 54.000 0.013 0.000 0.834 444 D CB -0.075 40.784 40.800 0.097 0.000 0.956 444 D HN 0.012 nan 8.370 nan 0.000 0.448 445 V N 0.969 120.726 119.914 -0.262 0.000 2.255 445 V HA -0.211 3.909 4.120 0.000 0.000 0.247 445 V C 2.682 178.436 176.094 -0.566 0.000 1.051 445 V CA 1.113 63.116 62.300 -0.495 0.000 1.018 445 V CB -0.601 30.978 31.823 -0.408 0.000 0.641 445 V HN 0.048 nan 8.190 nan 0.000 0.445 446 V N -0.410 119.260 119.914 -0.408 0.000 2.332 446 V HA -0.226 3.894 4.120 0.000 0.000 0.248 446 V C 2.397 178.361 176.094 -0.217 0.000 1.055 446 V CA 2.118 64.245 62.300 -0.288 0.000 1.038 446 V CB -0.065 31.512 31.823 -0.409 0.000 0.651 446 V HN 0.412 nan 8.190 nan 0.000 0.450 447 V N -0.110 119.623 119.914 -0.301 0.000 2.427 447 V HA -0.181 3.939 4.120 0.000 0.000 0.248 447 V C 2.612 178.555 176.094 -0.253 0.000 1.051 447 V CA 1.758 63.849 62.300 -0.348 0.000 1.048 447 V CB -0.911 30.477 31.823 -0.724 0.000 0.666 447 V HN 0.580 nan 8.190 nan 0.000 0.456 448 A N -0.559 122.103 122.820 -0.262 0.000 1.972 448 A HA -0.134 4.186 4.320 0.000 0.000 0.219 448 A C 1.751 179.369 177.584 0.057 0.000 1.169 448 A CA 1.452 53.394 52.037 -0.158 0.000 0.635 448 A CB -0.541 18.300 19.000 -0.265 0.000 0.810 448 A HN 0.485 nan 8.150 nan 0.000 0.446 449 F N -0.156 119.738 119.950 -0.093 0.000 2.693 449 F HA 0.337 4.864 4.527 0.000 0.000 0.303 449 F C 1.846 177.603 175.800 -0.072 0.000 1.143 449 F CA -0.256 57.700 58.000 -0.072 0.000 1.389 449 F CB -0.874 38.085 39.000 -0.069 0.000 1.060 449 F HN 0.364 nan 8.300 nan 0.000 0.535 450 G N 0.655 109.508 108.800 0.089 0.000 2.148 450 G HA2 -0.278 3.682 3.960 0.000 0.000 0.254 450 G HA3 -0.278 3.682 3.960 0.000 0.000 0.254 450 G C 0.462 175.363 174.900 0.001 0.000 0.981 450 G CA 0.549 45.663 45.100 0.023 0.000 0.670 450 G HN 0.489 nan 8.290 nan 0.000 0.528 451 T N -2.105 112.446 114.554 -0.004 0.000 3.466 451 T HA 0.642 4.992 4.350 0.000 0.000 0.297 451 T C -0.976 173.689 174.700 -0.058 0.000 1.640 451 T CA -0.735 61.353 62.100 -0.020 0.000 1.631 451 T CB 2.078 70.949 68.868 0.005 0.000 0.928 451 T HN 0.071 nan 8.240 nan 0.000 0.688 452 P HA -0.161 nan 4.420 nan 0.000 0.222 452 P C 1.503 178.771 177.300 -0.054 0.000 1.147 452 P CA 1.059 64.102 63.100 -0.095 0.000 0.790 452 P CB 0.274 31.918 31.700 -0.092 0.000 0.780 453 E N 1.435 121.614 120.200 -0.035 0.000 2.338 453 E HA -0.161 4.189 4.350 0.000 0.000 0.197 453 E C 1.199 177.795 176.600 -0.006 0.000 1.007 453 E CA 0.966 57.355 56.400 -0.019 0.000 0.849 453 E CB -0.592 29.100 29.700 -0.014 0.000 0.774 453 E HN 0.310 nan 8.360 nan 0.000 0.506 454 K N 0.651 121.046 120.400 -0.008 0.000 2.444 454 K HA 0.091 4.411 4.320 0.000 0.000 0.193 454 K C 0.623 177.277 176.600 0.090 0.000 1.024 454 K CA -0.104 56.200 56.287 0.028 0.000 1.077 454 K CB 0.234 32.737 32.500 0.004 0.000 0.833 454 K HN 0.196 nan 8.250 nan 0.000 0.517 455 Q N 0.729 120.551 119.800 0.037 0.000 2.454 455 Q HA 0.155 4.495 4.340 0.000 0.000 0.247 455 Q C -0.212 175.862 176.000 0.124 0.000 1.028 455 Q CA 0.180 56.039 55.803 0.094 0.000 0.910 455 Q CB 0.881 29.637 28.738 0.029 0.000 1.276 455 Q HN 0.172 nan 8.270 nan 0.000 0.489 456 I N 3.311 123.967 120.570 0.143 0.000 2.291 456 I HA 0.189 4.359 4.170 0.000 0.000 0.290 456 I C -0.737 175.340 176.117 -0.066 0.000 1.050 456 I CA -0.113 61.173 61.300 -0.024 0.000 1.245 456 I CB 0.287 38.205 38.000 -0.137 0.000 1.405 456 I HN 0.258 nan 8.210 nan 0.000 0.478 457 L N 7.550 128.711 121.223 -0.103 0.000 2.342 457 L HA 0.516 4.856 4.340 0.000 0.000 0.276 457 L C -0.741 175.982 176.870 -0.245 0.000 0.997 457 L CA -0.740 54.018 54.840 -0.137 0.000 0.838 457 L CB 1.556 43.568 42.059 -0.079 0.000 1.224 457 L HN 0.395 nan 8.230 nan 0.000 0.416 458 I N 2.908 123.210 120.570 -0.447 0.000 2.331 458 I HA 0.219 4.389 4.170 0.000 0.000 0.292 458 I C 0.596 176.341 176.117 -0.620 0.000 0.998 458 I CA -0.342 60.537 61.300 -0.701 0.000 1.267 458 I CB 1.155 38.325 38.000 -1.384 0.000 1.386 458 I HN 0.429 nan 8.210 nan 0.000 0.476 459 E N 7.761 127.729 120.200 -0.386 0.000 2.344 459 E HA 0.162 4.512 4.350 0.000 0.000 0.270 459 E C -2.062 174.409 176.600 -0.214 0.000 1.021 459 E CA -1.601 54.669 56.400 -0.216 0.000 0.887 459 E CB 0.487 30.116 29.700 -0.119 0.000 0.997 459 E HN 0.220 nan 8.360 nan 0.000 0.429 460 P HA -0.029 nan 4.420 nan 0.000 0.225 460 P C 1.180 178.433 177.300 -0.078 0.000 1.768 460 P CA 0.077 63.209 63.100 0.052 0.000 0.943 460 P CB -0.246 31.526 31.700 0.119 0.000 1.936 461 V N -3.160 116.632 119.914 -0.204 0.000 2.407 461 V HA -0.255 3.865 4.120 0.000 0.000 0.248 461 V C 1.769 177.812 176.094 -0.084 0.000 1.055 461 V CA 1.449 63.664 62.300 -0.142 0.000 1.049 461 V CB -1.865 29.882 31.823 -0.126 0.000 0.662 461 V HN 0.141 nan 8.190 nan 0.000 0.455 462 F N 1.417 121.388 119.950 0.035 0.000 2.186 462 F HA 0.076 4.603 4.527 0.000 0.000 0.299 462 F C 2.793 178.605 175.800 0.019 0.000 1.090 462 F CA 1.026 59.055 58.000 0.050 0.000 1.307 462 F CB -0.552 38.497 39.000 0.081 0.000 1.019 462 F HN 0.282 nan 8.300 nan 0.000 0.489 463 A N 0.212 123.110 122.820 0.129 0.000 1.873 463 A HA -0.209 4.111 4.320 0.000 0.000 0.215 463 A C 2.085 179.594 177.584 -0.126 0.000 1.186 463 A CA 1.426 53.477 52.037 0.023 0.000 0.616 463 A CB -0.828 18.178 19.000 0.011 0.000 0.823 463 A HN 0.382 nan 8.150 nan 0.000 0.442 464 Q N -1.580 118.070 119.800 -0.250 0.000 2.096 464 Q HA -0.180 4.160 4.340 0.000 0.000 0.204 464 Q C 1.889 177.573 176.000 -0.526 0.000 0.982 464 Q CA 1.688 57.110 55.803 -0.635 0.000 0.850 464 Q CB -0.380 27.863 28.738 -0.826 0.000 0.901 464 Q HN 0.758 nan 8.270 nan 0.000 0.422 465 F N 1.280 120.821 119.950 -0.682 0.000 2.126 465 F HA -0.215 4.312 4.527 0.000 0.000 0.299 465 F C 1.721 177.223 175.800 -0.497 0.000 1.096 465 F CA 1.316 58.747 58.000 -0.949 0.000 1.255 465 F CB -0.258 38.236 39.000 -0.844 0.000 0.997 465 F HN -0.024 nan 8.300 nan 0.000 0.479 466 I N 0.293 120.421 120.570 -0.737 0.000 2.226 466 I HA -0.312 3.858 4.170 0.000 0.000 0.245 466 I C 2.424 178.006 176.117 -0.892 0.000 1.100 466 I CA 1.460 62.240 61.300 -0.866 0.000 1.374 466 I CB -0.735 37.001 38.000 -0.440 0.000 1.057 466 I HN 0.282 nan 8.210 nan 0.000 0.413 467 Q N 0.732 120.227 119.800 -0.509 0.000 2.084 467 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 467 Q C 2.505 178.379 176.000 -0.210 0.000 0.978 467 Q CA 1.715 57.308 55.803 -0.350 0.000 0.844 467 Q CB -0.280 28.475 28.738 0.029 0.000 0.898 467 Q HN 0.580 nan 8.270 nan 0.000 0.426 468 A N 1.495 124.233 122.820 -0.137 0.000 1.865 468 A HA -0.160 4.160 4.320 0.000 0.000 0.217 468 A C 2.380 179.893 177.584 -0.118 0.000 1.191 468 A CA 1.724 53.784 52.037 0.038 0.000 0.623 468 A CB -0.963 18.167 19.000 0.217 0.000 0.826 468 A HN 0.407 nan 8.150 nan 0.000 0.444 469 A N -0.882 121.675 122.820 -0.437 0.000 2.032 469 A HA -0.236 4.084 4.320 0.000 0.000 0.221 469 A C 1.773 179.269 177.584 -0.147 0.000 1.165 469 A CA 1.790 53.595 52.037 -0.386 0.000 0.645 469 A CB -1.047 17.518 19.000 -0.725 0.000 0.807 469 A HN 0.804 nan 8.150 nan 0.000 0.453 470 H N -2.178 116.804 119.070 -0.148 0.000 2.547 470 H HA 0.295 4.851 4.556 0.000 0.000 0.266 470 H C 1.570 177.015 175.328 0.195 0.000 0.988 470 H CA 0.133 56.179 56.048 -0.002 0.000 1.147 470 H CB 0.290 29.938 29.762 -0.190 0.000 1.365 470 H HN 0.660 nan 8.280 nan 0.000 0.589 471 G N 1.168 110.089 108.800 0.201 0.000 2.192 471 G HA2 -0.254 3.706 3.960 0.000 0.000 0.193 471 G HA3 -0.254 3.706 3.960 0.000 0.000 0.193 471 G C 0.169 175.144 174.900 0.125 0.000 0.999 471 G CA -0.373 44.842 45.100 0.192 0.000 0.659 471 G HN 0.305 nan 8.290 nan 0.000 0.503 472 K N 1.536 122.002 120.400 0.110 0.000 2.315 472 K HA 0.560 4.880 4.320 0.000 0.000 0.291 472 K C 1.744 178.419 176.600 0.125 0.000 1.074 472 K CA -0.577 55.771 56.287 0.102 0.000 0.936 472 K CB 0.039 32.625 32.500 0.144 0.000 1.049 472 K HN 0.210 nan 8.250 nan 0.000 0.471 473 L N 4.399 125.664 121.223 0.070 0.000 2.093 473 L HA -0.178 4.162 4.340 0.000 0.000 0.208 473 L C 2.061 178.940 176.870 0.014 0.000 1.085 473 L CA 0.376 55.253 54.840 0.063 0.000 0.755 473 L CB -0.504 41.577 42.059 0.037 0.000 0.904 473 L HN 0.680 nan 8.230 nan 0.000 0.435 474 L N -0.096 121.072 121.223 -0.092 0.000 2.082 474 L HA -0.329 4.011 4.340 0.000 0.000 0.223 474 L C 2.263 178.975 176.870 -0.264 0.000 1.086 474 L CA 2.201 56.892 54.840 -0.247 0.000 0.793 474 L CB -0.622 41.164 42.059 -0.454 0.000 0.896 474 L HN 0.211 nan 8.230 nan 0.000 0.441 475 Y N -0.529 119.828 120.300 0.095 0.000 2.544 475 Y HA 0.298 4.848 4.550 0.000 0.000 0.286 475 Y C 1.823 177.693 175.900 -0.050 0.000 1.141 475 Y CA 0.350 58.502 58.100 0.087 0.000 1.299 475 Y CB -0.474 38.175 38.460 0.315 0.000 1.030 475 Y HN 0.293 nan 8.280 nan 0.000 0.543 476 G N 0.159 109.031 108.800 0.120 0.000 2.273 476 G HA2 -0.336 3.624 3.960 0.000 0.000 0.280 476 G HA3 -0.336 3.624 3.960 0.000 0.000 0.280 476 G C 0.426 175.325 174.900 -0.002 0.000 1.047 476 G CA 0.369 45.490 45.100 0.036 0.000 0.869 476 G HN 0.478 nan 8.290 nan 0.000 0.502 477 F N 0.065 120.114 119.950 0.165 0.000 2.710 477 F HA 0.173 4.700 4.527 0.000 0.000 0.298 477 F C 1.580 177.464 175.800 0.140 0.000 1.137 477 F CA 0.489 58.590 58.000 0.169 0.000 1.444 477 F CB 0.174 39.329 39.000 0.257 0.000 1.111 477 F HN 0.399 nan 8.300 nan 0.000 0.580 478 D N 1.451 122.003 120.400 0.254 0.000 2.886 478 D HA -0.199 4.441 4.640 0.000 0.000 0.221 478 D C -0.842 175.572 176.300 0.189 0.000 1.227 478 D CA 1.100 55.206 54.000 0.176 0.000 0.746 478 D CB -0.579 40.288 40.800 0.112 0.000 0.935 478 D HN 0.286 nan 8.370 nan 0.000 0.399 479 T N -0.272 114.409 114.554 0.210 0.000 2.923 479 T HA 0.543 4.893 4.350 0.000 0.000 0.311 479 T C -0.086 174.698 174.700 0.141 0.000 1.183 479 T CA -0.998 61.218 62.100 0.193 0.000 1.020 479 T CB 1.099 70.141 68.868 0.291 0.000 1.165 479 T HN 0.497 nan 8.240 nan 0.000 0.482 480 L N 2.943 124.235 121.223 0.115 0.000 4.289 480 L HA -0.267 4.073 4.340 0.000 0.000 0.560 480 L C 1.125 178.050 176.870 0.090 0.000 1.003 480 L CA 0.121 55.014 54.840 0.088 0.000 0.793 480 L CB -1.042 41.055 42.059 0.063 0.000 0.562 480 L HN 0.952 nan 8.230 nan 0.000 1.014 481 L N -0.259 121.025 121.223 0.101 0.000 5.337 481 L HA -0.371 3.969 4.340 0.000 0.000 0.446 481 L C 1.562 178.509 176.870 0.129 0.000 1.007 481 L CA 1.420 56.335 54.840 0.125 0.000 1.109 481 L CB -1.297 40.858 42.059 0.159 0.000 1.666 481 L HN 0.818 nan 8.230 nan 0.000 0.714 482 S N -0.838 114.933 115.700 0.118 0.000 2.524 482 S HA 0.132 4.602 4.470 0.000 0.000 0.215 482 S C 0.610 175.279 174.600 0.114 0.000 0.986 482 S CA -0.040 58.234 58.200 0.124 0.000 0.911 482 S CB 0.063 63.351 63.200 0.146 0.000 0.805 482 S HN 0.452 nan 8.310 nan 0.000 0.501 483 N N 1.683 120.446 118.700 0.105 0.000 2.626 483 N HA 0.296 5.036 4.740 0.000 0.000 0.249 483 N C -2.234 173.325 175.510 0.082 0.000 1.021 483 N CA -1.912 51.193 53.050 0.092 0.000 0.886 483 N CB 1.946 40.490 38.487 0.095 0.000 1.149 483 N HN 0.038 nan 8.380 nan 0.000 0.517 484 P HA -0.094 nan 4.420 nan 0.000 0.222 484 P C 0.051 177.392 177.300 0.069 0.000 1.142 484 P CA 1.143 64.284 63.100 0.068 0.000 0.788 484 P CB 0.592 32.327 31.700 0.058 0.000 0.767 485 D N -0.825 119.615 120.400 0.065 0.000 2.360 485 D HA 0.024 4.664 4.640 0.000 0.000 0.210 485 D C 0.796 177.136 176.300 0.066 0.000 1.047 485 D CA 0.231 54.270 54.000 0.064 0.000 0.854 485 D CB 0.166 40.995 40.800 0.050 0.000 0.936 485 D HN 0.127 nan 8.370 nan 0.000 0.514 486 S N 0.834 116.576 115.700 0.069 0.000 2.568 486 S HA 0.036 4.506 4.470 0.000 0.000 0.282 486 S C 1.490 176.134 174.600 0.073 0.000 1.338 486 S CA -0.500 57.740 58.200 0.068 0.000 1.045 486 S CB 0.649 63.895 63.200 0.077 0.000 0.873 486 S HN 0.172 nan 8.310 nan 0.000 0.516 487 I N 4.243 124.852 120.570 0.065 0.000 2.335 487 I HA -0.173 3.997 4.170 0.000 0.000 0.251 487 I C 2.144 178.311 176.117 0.083 0.000 1.129 487 I CA 1.713 63.064 61.300 0.085 0.000 1.402 487 I CB -0.576 37.468 38.000 0.074 0.000 1.069 487 I HN 0.849 nan 8.210 nan 0.000 0.424 488 A N -0.146 122.718 122.820 0.074 0.000 1.877 488 A HA -0.190 4.130 4.320 0.000 0.000 0.216 488 A C 2.368 179.989 177.584 0.062 0.000 1.186 488 A CA 2.096 54.175 52.037 0.070 0.000 0.620 488 A CB -0.833 18.212 19.000 0.074 0.000 0.822 488 A HN 0.496 nan 8.150 nan 0.000 0.443 489 S N -0.488 115.253 115.700 0.070 0.000 2.423 489 S HA -0.115 4.355 4.470 0.000 0.000 0.231 489 S C 2.031 176.663 174.600 0.053 0.000 1.014 489 S CA 1.786 60.024 58.200 0.063 0.000 0.965 489 S CB -0.431 62.815 63.200 0.077 0.000 0.785 489 S HN 0.907 nan 8.310 nan 0.000 0.495 490 T N -1.372 113.230 114.554 0.079 0.000 3.040 490 T HA 0.507 4.857 4.350 0.000 0.000 0.252 490 T C 1.095 175.817 174.700 0.038 0.000 1.064 490 T CA 0.679 62.857 62.100 0.130 0.000 1.110 490 T CB -0.313 68.691 68.868 0.226 0.000 0.921 490 T HN 0.632 nan 8.240 nan 0.000 0.480 491 A N 0.503 123.312 122.820 -0.020 0.000 2.846 491 A HA -0.167 4.154 4.320 0.000 0.000 0.287 491 A C 0.927 178.318 177.584 -0.323 0.000 1.469 491 A CA 1.269 53.239 52.037 -0.111 0.000 0.757 491 A CB -2.928 15.983 19.000 -0.148 0.000 1.033 491 A HN 0.905 nan 8.150 nan 0.000 0.516 492 W N 0.793 121.849 121.300 -0.407 0.000 2.362 492 W HA -0.399 4.261 4.660 0.000 0.000 0.357 492 W C -0.188 175.792 176.519 -0.898 0.000 1.546 492 W CA 3.970 60.938 57.345 -0.628 0.000 1.450 492 W CB -1.936 27.375 29.460 -0.249 0.000 1.009 492 W HN 0.478 nan 8.180 nan 0.000 0.478 493 P HA -0.270 nan 4.420 nan 0.000 0.216 493 P C 1.117 177.856 177.300 -0.935 0.000 1.157 493 P CA 3.161 65.277 63.100 -1.640 0.000 0.880 493 P CB -0.735 30.284 31.700 -1.134 0.000 0.791 494 N N -1.745 116.546 118.700 -0.682 0.000 2.454 494 N HA -0.110 4.631 4.740 0.000 0.000 0.177 494 N C 0.265 175.662 175.510 -0.188 0.000 1.049 494 N CA 0.130 52.970 53.050 -0.350 0.000 0.887 494 N CB -0.620 37.737 38.487 -0.218 0.000 1.095 494 N HN 0.081 nan 8.380 nan 0.000 0.446 495 Y N 0.421 120.619 120.300 -0.169 0.000 3.589 495 Y HA -0.157 4.393 4.550 0.000 0.000 0.218 495 Y C 1.397 177.176 175.900 -0.202 0.000 1.234 495 Y CA 0.173 58.181 58.100 -0.152 0.000 1.576 495 Y CB -1.978 36.410 38.460 -0.120 0.000 1.487 495 Y HN 0.356 nan 8.280 nan 0.000 0.616 496 G N -0.515 108.191 108.800 -0.157 0.000 3.141 496 G HA2 -0.044 3.916 3.960 0.000 0.000 0.218 496 G HA3 -0.044 3.916 3.960 0.000 0.000 0.218 496 G C 1.234 175.775 174.900 -0.598 0.000 1.170 496 G CA 0.406 45.359 45.100 -0.245 0.000 0.769 496 G HN 0.421 nan 8.290 nan 0.000 0.546 497 N N 1.018 119.268 118.700 -0.749 0.000 2.043 497 N HA -0.234 4.506 4.740 0.000 0.000 0.195 497 N C 1.959 176.481 175.510 -1.647 0.000 1.052 497 N CA 2.346 54.503 53.050 -1.488 0.000 0.891 497 N CB -0.531 37.450 38.487 -0.843 0.000 1.078 497 N HN 0.146 nan 8.380 nan 0.000 0.532 498 V N -1.336 118.085 119.914 -0.821 0.000 0.434 498 V HA -0.309 3.811 4.120 0.000 0.000 0.092 498 V C 1.500 177.407 176.094 -0.311 0.000 2.581 498 V CA 2.455 64.479 62.300 -0.460 0.000 3.733 498 V CB -1.589 30.025 31.823 -0.349 0.000 1.002 498 V HN 0.665 nan 8.190 nan 0.000 1.053 499 W N 0.618 121.769 121.300 -0.249 0.000 2.584 499 W HA 0.389 5.050 4.660 0.000 0.000 0.264 499 W C 1.705 178.232 176.519 0.013 0.000 1.264 499 W CA 1.043 58.307 57.345 -0.136 0.000 1.306 499 W CB -0.829 28.407 29.460 -0.375 0.000 1.110 499 W HN 0.411 nan 8.180 nan 0.000 0.606 500 L N 2.501 123.600 121.223 -0.205 0.000 2.043 500 L HA -0.057 4.283 4.340 0.000 0.000 0.212 500 L C -0.503 176.472 176.870 0.176 0.000 1.075 500 L CA 2.178 57.056 54.840 0.063 0.000 0.752 500 L CB -1.741 40.239 42.059 -0.132 0.000 0.891 500 L HN -0.188 nan 8.230 nan 0.000 0.432 501 P HA -0.072 nan 4.420 nan 0.000 0.214 501 P C 1.673 179.067 177.300 0.157 0.000 1.162 501 P CA 1.749 64.910 63.100 0.102 0.000 0.879 501 P CB -0.405 31.325 31.700 0.049 0.000 0.786 502 G N -0.693 108.220 108.800 0.188 0.000 2.440 502 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 502 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 502 G C 1.521 176.558 174.900 0.228 0.000 1.154 502 G CA 0.445 45.680 45.100 0.225 0.000 0.767 502 G HN 0.275 nan 8.290 nan 0.000 0.552 503 W N 1.059 122.429 121.300 0.117 0.000 2.379 503 W HA -0.009 4.652 4.660 0.000 0.000 0.307 503 W C 2.080 178.647 176.519 0.079 0.000 1.200 503 W CA 0.943 58.340 57.345 0.086 0.000 1.297 503 W CB -0.449 29.102 29.460 0.152 0.000 1.140 503 W HN 0.202 nan 8.180 nan 0.000 0.507 504 L N 0.502 121.838 121.223 0.189 0.000 2.131 504 L HA -0.225 4.115 4.340 0.000 0.000 0.210 504 L C 2.564 179.433 176.870 -0.002 0.000 1.092 504 L CA 1.757 56.644 54.840 0.078 0.000 0.759 504 L CB -1.023 41.132 42.059 0.160 0.000 0.903 504 L HN -0.016 nan 8.230 nan 0.000 0.435 505 D N 0.308 120.730 120.400 0.037 0.000 2.097 505 D HA -0.193 4.447 4.640 0.000 0.000 0.195 505 D C 2.096 178.398 176.300 0.004 0.000 0.989 505 D CA 1.540 55.565 54.000 0.041 0.000 0.827 505 D CB 0.370 41.223 40.800 0.089 0.000 0.966 505 D HN 0.306 nan 8.370 nan 0.000 0.456 506 A N 1.011 123.795 122.820 -0.061 0.000 1.898 506 A HA -0.088 4.233 4.320 0.000 0.000 0.216 506 A C 2.438 179.941 177.584 -0.135 0.000 1.181 506 A CA 0.705 52.696 52.037 -0.076 0.000 0.620 506 A CB -0.689 18.143 19.000 -0.280 0.000 0.819 506 A HN 0.401 nan 8.150 nan 0.000 0.442 507 I N -0.614 119.764 120.570 -0.320 0.000 3.001 507 I HA -0.125 4.045 4.170 0.000 0.000 0.268 507 I C 1.284 177.359 176.117 -0.070 0.000 1.267 507 I CA 0.886 62.043 61.300 -0.238 0.000 1.472 507 I CB -0.044 37.729 38.000 -0.379 0.000 1.089 507 I HN 0.287 nan 8.210 nan 0.000 0.468 508 N N -0.054 118.617 118.700 -0.048 0.000 2.294 508 N HA 0.042 4.782 4.740 0.000 0.000 0.186 508 N C 0.702 176.212 175.510 -0.000 0.000 1.107 508 N CA 0.516 53.558 53.050 -0.012 0.000 0.884 508 N CB 0.389 38.876 38.487 0.000 0.000 1.030 508 N HN 0.212 nan 8.380 nan 0.000 0.482 509 S N 0.419 116.127 115.700 0.013 0.000 3.919 509 S HA 0.217 4.687 4.470 0.000 0.000 0.245 509 S C 1.143 175.758 174.600 0.024 0.000 1.344 509 S CA -0.704 57.512 58.200 0.027 0.000 0.896 509 S CB -0.323 62.907 63.200 0.052 0.000 1.557 509 S HN 0.201 nan 8.310 nan 0.000 0.468 510 G N 2.509 111.312 108.800 0.005 0.000 3.307 510 G HA2 -0.009 3.951 3.960 0.000 0.000 0.200 510 G HA3 -0.009 3.951 3.960 0.000 0.000 0.200 510 G C 0.825 175.726 174.900 0.001 0.000 1.148 510 G CA 0.500 45.598 45.100 -0.004 0.000 1.387 510 G HN 0.912 nan 8.290 nan 0.000 0.527 511 T N -3.041 111.525 114.554 0.020 0.000 3.215 511 T HA 0.337 4.687 4.350 0.000 0.000 0.271 511 T C 0.464 175.182 174.700 0.031 0.000 1.012 511 T CA -0.247 61.869 62.100 0.027 0.000 0.899 511 T CB 0.017 68.906 68.868 0.035 0.000 1.089 511 T HN 0.466 nan 8.240 nan 0.000 0.552 512 N N -0.741 117.973 118.700 0.024 0.000 3.506 512 N HA 0.422 5.162 4.740 0.000 0.000 0.331 512 N C -0.350 175.165 175.510 0.009 0.000 1.631 512 N CA -0.991 52.070 53.050 0.018 0.000 0.786 512 N CB 0.652 39.139 38.487 -0.000 0.000 2.023 512 N HN -0.097 nan 8.380 nan 0.000 0.621 513 S N -0.862 114.850 115.700 0.021 0.000 2.663 513 S HA 0.252 4.722 4.470 0.000 0.000 0.243 513 S C -0.387 174.173 174.600 -0.066 0.000 1.009 513 S CA -0.366 57.836 58.200 0.003 0.000 0.988 513 S CB -0.516 62.794 63.200 0.183 0.000 0.896 513 S HN 0.466 nan 8.310 nan 0.000 0.502 514 L N 2.496 123.715 121.223 -0.007 0.000 2.462 514 L HA 0.406 4.746 4.340 0.000 0.000 0.283 514 L C -0.797 176.121 176.870 0.082 0.000 1.166 514 L CA 0.143 54.958 54.840 -0.041 0.000 0.964 514 L CB -1.748 40.334 42.059 0.038 0.000 1.294 514 L HN 0.339 nan 8.230 nan 0.000 0.449 515 F N 2.926 122.881 119.950 0.008 0.000 2.860 515 F HA -0.248 4.279 4.527 0.000 0.000 0.355 515 F C 0.487 176.334 175.800 0.079 0.000 1.024 515 F CA 0.070 58.120 58.000 0.084 0.000 1.160 515 F CB -1.482 37.595 39.000 0.129 0.000 1.422 515 F HN 0.312 nan 8.300 nan 0.000 0.766 516 L N 0.600 121.899 121.223 0.127 0.000 2.554 516 L HA -0.044 4.296 4.340 0.000 0.000 0.293 516 L C 1.313 178.272 176.870 0.149 0.000 1.252 516 L CA 0.659 55.529 54.840 0.050 0.000 0.862 516 L CB 0.139 42.132 42.059 -0.110 0.000 1.113 516 L HN 0.243 nan 8.230 nan 0.000 0.510 517 T N 4.494 119.115 114.554 0.111 0.000 2.928 517 T HA 0.357 4.707 4.350 0.000 0.000 0.305 517 T C 0.063 174.884 174.700 0.203 0.000 1.035 517 T CA 0.024 62.243 62.100 0.199 0.000 1.145 517 T CB 0.164 69.071 68.868 0.066 0.000 0.963 517 T HN 0.427 nan 8.240 nan 0.000 0.545 518 I N -0.692 120.059 120.570 0.300 0.000 2.892 518 I HA 0.975 5.145 4.170 0.000 0.000 0.306 518 I C 0.242 176.502 176.117 0.239 0.000 1.078 518 I CA -1.164 60.290 61.300 0.257 0.000 1.032 518 I CB 2.304 40.450 38.000 0.243 0.000 1.229 518 I HN 0.710 nan 8.210 nan 0.000 0.435 519 G N 2.204 111.133 108.800 0.216 0.000 2.947 519 G HA2 0.527 4.487 3.960 0.000 0.000 0.293 519 G HA3 0.527 4.487 3.960 0.000 0.000 0.293 519 G C -2.701 172.283 174.900 0.139 0.000 1.243 519 G CA -0.900 44.289 45.100 0.148 0.000 0.802 519 G HN 0.381 nan 8.290 nan 0.000 0.560 520 P HA -0.040 nan 4.420 nan 0.000 0.216 520 P C 1.998 179.369 177.300 0.118 0.000 1.150 520 P CA 1.995 65.126 63.100 0.051 0.000 0.843 520 P CB 0.033 31.711 31.700 -0.037 0.000 0.787 521 G N 0.016 108.844 108.800 0.045 0.000 2.440 521 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 521 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 521 G C 0.995 176.008 174.900 0.188 0.000 1.154 521 G CA 1.230 46.316 45.100 -0.023 0.000 0.767 521 G HN 0.242 nan 8.290 nan 0.000 0.552 522 D N -0.524 120.077 120.400 0.335 0.000 2.219 522 D HA -0.059 4.581 4.640 0.000 0.000 0.205 522 D C 1.831 178.343 176.300 0.354 0.000 0.970 522 D CA 0.481 54.736 54.000 0.425 0.000 0.851 522 D CB -0.151 40.936 40.800 0.479 0.000 0.943 522 D HN 0.340 nan 8.370 nan 0.000 0.488 523 F N 1.099 121.136 119.950 0.145 0.000 2.060 523 F HA -0.095 4.432 4.527 0.000 0.000 0.295 523 F C 1.788 177.701 175.800 0.189 0.000 1.120 523 F CA 1.230 59.315 58.000 0.141 0.000 1.205 523 F CB -0.263 38.752 39.000 0.024 0.000 0.986 523 F HN -0.116 nan 8.300 nan 0.000 0.470 524 L N 0.063 121.387 121.223 0.168 0.000 1.989 524 L HA -0.257 4.083 4.340 0.000 0.000 0.211 524 L C 2.419 179.281 176.870 -0.014 0.000 1.071 524 L CA 1.671 56.467 54.840 -0.072 0.000 0.749 524 L CB -1.007 40.829 42.059 -0.371 0.000 0.890 524 L HN 0.165 nan 8.230 nan 0.000 0.431 525 V N -2.242 117.683 119.914 0.018 0.000 2.332 525 V HA -0.314 3.806 4.120 0.000 0.000 0.248 525 V C 2.196 178.183 176.094 -0.178 0.000 1.055 525 V CA 1.956 64.158 62.300 -0.163 0.000 1.038 525 V CB -1.267 30.252 31.823 -0.506 0.000 0.651 525 V HN 0.410 nan 8.190 nan 0.000 0.450 526 H N -0.199 118.773 119.070 -0.163 0.000 2.457 526 H HA -0.117 4.439 4.556 0.000 0.000 0.297 526 H C 2.288 177.460 175.328 -0.260 0.000 1.092 526 H CA 2.114 58.083 56.048 -0.132 0.000 1.309 526 H CB -0.228 29.466 29.762 -0.113 0.000 1.382 526 H HN 0.593 nan 8.280 nan 0.000 0.535 527 H N -1.470 117.506 119.070 -0.157 0.000 2.512 527 H HA 0.218 4.774 4.556 0.000 0.000 0.279 527 H C 2.105 177.369 175.328 -0.107 0.000 0.999 527 H CA 0.736 56.671 56.048 -0.189 0.000 1.283 527 H CB 0.240 29.787 29.762 -0.357 0.000 1.421 527 H HN 0.393 nan 8.280 nan 0.000 0.554 528 A N 0.594 123.384 122.820 -0.049 0.000 1.897 528 A HA -0.067 4.253 4.320 0.000 0.000 0.215 528 A C 2.188 179.856 177.584 0.139 0.000 1.181 528 A CA 1.052 53.005 52.037 -0.139 0.000 0.620 528 A CB -0.504 18.168 19.000 -0.546 0.000 0.821 528 A HN 0.331 nan 8.150 nan 0.000 0.443 529 I N -0.215 120.410 120.570 0.091 0.000 2.315 529 I HA -0.254 3.916 4.170 0.000 0.000 0.248 529 I C 2.937 179.143 176.117 0.148 0.000 1.117 529 I CA 0.963 62.363 61.300 0.167 0.000 1.404 529 I CB -0.321 37.712 38.000 0.056 0.000 1.071 529 I HN 0.362 nan 8.210 nan 0.000 0.419 530 A N 0.875 123.742 122.820 0.079 0.000 1.902 530 A HA -0.217 4.103 4.320 0.000 0.000 0.217 530 A C 2.257 179.962 177.584 0.202 0.000 1.181 530 A CA 1.450 53.562 52.037 0.124 0.000 0.623 530 A CB -0.779 18.208 19.000 -0.022 0.000 0.818 530 A HN 0.393 nan 8.150 nan 0.000 0.443 531 L N 0.207 121.511 121.223 0.136 0.000 2.079 531 L HA -0.050 4.290 4.340 0.000 0.000 0.210 531 L C 2.275 179.244 176.870 0.165 0.000 1.081 531 L CA 2.402 57.320 54.840 0.129 0.000 0.752 531 L CB -1.000 41.171 42.059 0.186 0.000 0.896 531 L HN 0.276 nan 8.230 nan 0.000 0.433 532 G N -0.539 108.453 108.800 0.320 0.000 2.394 532 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 532 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 532 G C 1.558 176.488 174.900 0.050 0.000 1.165 532 G CA 0.844 46.112 45.100 0.279 0.000 0.784 532 G HN 0.420 nan 8.290 nan 0.000 0.535 533 L N -0.395 120.853 121.223 0.042 0.000 2.141 533 L HA -0.054 4.286 4.340 0.000 0.000 0.209 533 L C 2.669 179.416 176.870 -0.205 0.000 1.094 533 L CA 1.103 55.894 54.840 -0.082 0.000 0.763 533 L CB -0.478 41.539 42.059 -0.071 0.000 0.908 533 L HN 0.235 nan 8.230 nan 0.000 0.437 534 H N -0.969 118.012 119.070 -0.149 0.000 2.372 534 H HA -0.074 4.482 4.556 0.000 0.000 0.301 534 H C 2.347 177.488 175.328 -0.312 0.000 1.065 534 H CA 1.765 57.702 56.048 -0.184 0.000 1.364 534 H CB -0.165 29.516 29.762 -0.134 0.000 1.406 534 H HN 0.144 nan 8.280 nan 0.000 0.521 535 T N -0.693 113.642 114.554 -0.364 0.000 2.821 535 T HA -0.121 4.229 4.350 0.000 0.000 0.267 535 T C 1.949 176.227 174.700 -0.704 0.000 1.046 535 T CA 1.686 63.350 62.100 -0.726 0.000 1.139 535 T CB -0.343 67.627 68.868 -1.497 0.000 0.871 535 T HN 0.399 nan 8.240 nan 0.000 0.454 536 T N 1.803 116.045 114.554 -0.519 0.000 2.777 536 T HA -0.086 4.264 4.350 0.000 0.000 0.266 536 T C 2.287 176.717 174.700 -0.449 0.000 1.040 536 T CA 1.427 63.299 62.100 -0.380 0.000 1.141 536 T CB -0.584 68.146 68.868 -0.230 0.000 0.868 536 T HN 0.364 nan 8.240 nan 0.000 0.444 537 T N 2.390 116.673 114.554 -0.450 0.000 2.821 537 T HA 0.008 4.358 4.350 0.000 0.000 0.267 537 T C 1.894 176.333 174.700 -0.435 0.000 1.046 537 T CA 0.675 62.445 62.100 -0.549 0.000 1.139 537 T CB -0.387 68.235 68.868 -0.410 0.000 0.871 537 T HN 0.156 nan 8.240 nan 0.000 0.454 538 L N 1.443 122.466 121.223 -0.333 0.000 1.989 538 L HA 0.000 4.341 4.340 0.000 0.000 0.211 538 L C 2.089 178.810 176.870 -0.249 0.000 1.071 538 L CA 1.679 56.372 54.840 -0.245 0.000 0.749 538 L CB -0.772 41.144 42.059 -0.239 0.000 0.890 538 L HN 0.262 nan 8.230 nan 0.000 0.431 539 I N -0.906 119.479 120.570 -0.309 0.000 2.226 539 I HA -0.325 3.845 4.170 0.000 0.000 0.245 539 I C 2.436 178.420 176.117 -0.223 0.000 1.100 539 I CA 1.499 62.648 61.300 -0.252 0.000 1.374 539 I CB -0.408 37.427 38.000 -0.275 0.000 1.057 539 I HN 0.288 nan 8.210 nan 0.000 0.413 540 L N -0.278 120.750 121.223 -0.325 0.000 2.109 540 L HA -0.141 4.199 4.340 0.000 0.000 0.207 540 L C 2.535 179.312 176.870 -0.155 0.000 1.086 540 L CA 0.787 55.448 54.840 -0.299 0.000 0.760 540 L CB -0.461 41.194 42.059 -0.672 0.000 0.910 540 L HN 0.069 nan 8.230 nan 0.000 0.437 541 V N -0.062 119.729 119.914 -0.207 0.000 2.379 541 V HA -0.233 3.887 4.120 0.000 0.000 0.245 541 V C 2.601 178.689 176.094 -0.010 0.000 1.044 541 V CA 1.517 63.801 62.300 -0.025 0.000 1.036 541 V CB -0.482 31.317 31.823 -0.039 0.000 0.664 541 V HN 0.412 nan 8.190 nan 0.000 0.453 542 K N 0.710 121.078 120.400 -0.053 0.000 2.057 542 K HA -0.153 4.167 4.320 0.000 0.000 0.207 542 K C 2.116 178.712 176.600 -0.007 0.000 1.049 542 K CA 1.846 58.116 56.287 -0.030 0.000 0.931 542 K CB -0.714 31.756 32.500 -0.051 0.000 0.714 542 K HN 0.477 nan 8.250 nan 0.000 0.440 543 G N 0.553 109.344 108.800 -0.014 0.000 2.418 543 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 543 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 543 G C 1.643 176.584 174.900 0.069 0.000 1.158 543 G CA 1.144 46.255 45.100 0.018 0.000 0.771 543 G HN 0.463 nan 8.290 nan 0.000 0.545 544 A N 0.555 123.427 122.820 0.087 0.000 1.872 544 A HA 0.185 4.506 4.320 0.000 0.000 0.214 544 A C 2.370 179.997 177.584 0.071 0.000 1.187 544 A CA 1.050 53.153 52.037 0.110 0.000 0.614 544 A CB -0.386 18.699 19.000 0.143 0.000 0.826 544 A HN 0.326 nan 8.150 nan 0.000 0.442 545 L N -0.571 120.681 121.223 0.047 0.000 2.362 545 L HA -0.096 4.244 4.340 0.000 0.000 0.219 545 L C 0.843 177.731 176.870 0.030 0.000 1.134 545 L CA 0.892 55.745 54.840 0.022 0.000 0.807 545 L CB -0.341 41.720 42.059 0.004 0.000 0.927 545 L HN 0.271 nan 8.230 nan 0.000 0.447 546 D N -0.570 119.855 120.400 0.043 0.000 2.398 546 D HA 0.138 4.779 4.640 0.000 0.000 0.210 546 D C 1.986 178.333 176.300 0.078 0.000 1.094 546 D CA 0.514 54.544 54.000 0.051 0.000 0.839 546 D CB 0.517 41.341 40.800 0.039 0.000 0.963 546 D HN 0.106 nan 8.370 nan 0.000 0.506 547 A N 1.204 124.079 122.820 0.093 0.000 1.892 547 A HA -0.247 4.073 4.320 0.000 0.000 0.218 547 A C 2.094 179.764 177.584 0.142 0.000 1.188 547 A CA 1.300 53.419 52.037 0.137 0.000 0.631 547 A CB -0.340 18.751 19.000 0.152 0.000 0.822 547 A HN 0.152 nan 8.150 nan 0.000 0.447 548 R N -1.041 119.521 120.500 0.104 0.000 2.148 548 R HA 0.219 4.559 4.340 0.000 0.000 0.223 548 R C 0.877 177.240 176.300 0.104 0.000 1.088 548 R CA 0.628 56.790 56.100 0.104 0.000 0.985 548 R CB -0.153 30.203 30.300 0.092 0.000 0.880 548 R HN 0.585 nan 8.270 nan 0.000 0.451 549 G N -0.511 108.344 108.800 0.092 0.000 2.361 549 G HA2 0.274 4.234 3.960 0.000 0.000 0.299 549 G HA3 0.274 4.234 3.960 0.000 0.000 0.299 549 G C -1.249 173.688 174.900 0.062 0.000 1.544 549 G CA -0.376 44.772 45.100 0.080 0.000 0.860 549 G HN 0.128 nan 8.290 nan 0.000 0.610 550 S N -0.552 115.179 115.700 0.052 0.000 2.794 550 S HA 0.692 5.162 4.470 0.000 0.000 0.299 550 S C 0.495 175.115 174.600 0.034 0.000 1.179 550 S CA -0.707 57.518 58.200 0.041 0.000 0.838 550 S CB 2.010 65.233 63.200 0.037 0.000 1.206 550 S HN 0.474 nan 8.310 nan 0.000 0.523 551 K N -0.103 120.315 120.400 0.029 0.000 2.103 551 K HA 0.117 4.437 4.320 0.000 0.000 0.204 551 K C 1.785 178.397 176.600 0.020 0.000 1.052 551 K CA 0.811 57.114 56.287 0.026 0.000 0.945 551 K CB -1.018 31.496 32.500 0.024 0.000 0.722 551 K HN 0.506 nan 8.250 nan 0.000 0.443 552 L N -0.024 121.210 121.223 0.018 0.000 2.291 552 L HA 0.100 4.440 4.340 0.000 0.000 0.214 552 L C 0.914 177.786 176.870 0.003 0.000 1.120 552 L CA 1.314 56.161 54.840 0.011 0.000 0.799 552 L CB -0.002 42.065 42.059 0.012 0.000 0.925 552 L HN 0.136 nan 8.230 nan 0.000 0.446 553 M N -0.998 118.607 119.600 0.008 0.000 2.151 553 M HA 0.301 4.781 4.480 0.000 0.000 0.229 553 M C -2.140 174.173 176.300 0.021 0.000 1.029 553 M CA -1.280 54.015 55.300 -0.008 0.000 0.765 553 M CB 1.290 33.874 32.600 -0.027 0.000 1.969 553 M HN -0.197 nan 8.290 nan 0.000 0.352 554 P HA -0.132 nan 4.420 nan 0.000 0.218 554 P C 0.110 177.448 177.300 0.064 0.000 1.148 554 P CA 1.412 64.539 63.100 0.045 0.000 0.822 554 P CB -0.023 31.701 31.700 0.039 0.000 0.784 555 D N -1.664 118.785 120.400 0.083 0.000 2.525 555 D HA 0.032 4.672 4.640 0.000 0.000 0.229 555 D C 1.327 177.747 176.300 0.199 0.000 1.202 555 D CA -0.353 53.725 54.000 0.132 0.000 0.828 555 D CB -0.548 40.351 40.800 0.165 0.000 1.008 555 D HN 0.036 nan 8.370 nan 0.000 0.493 556 K N 1.969 122.450 120.400 0.136 0.000 2.089 556 K HA -0.267 4.053 4.320 0.000 0.000 0.210 556 K C 1.918 178.657 176.600 0.231 0.000 1.048 556 K CA 1.892 58.274 56.287 0.159 0.000 0.926 556 K CB 0.016 32.613 32.500 0.162 0.000 0.714 556 K HN 0.275 nan 8.250 nan 0.000 0.448 557 K N -0.210 120.291 120.400 0.168 0.000 2.218 557 K HA -0.180 4.140 4.320 0.000 0.000 0.205 557 K C 0.927 177.581 176.600 0.090 0.000 1.046 557 K CA 1.886 58.251 56.287 0.130 0.000 0.933 557 K CB -0.106 32.445 32.500 0.084 0.000 0.728 557 K HN 0.125 nan 8.250 nan 0.000 0.454 558 D N 0.279 120.726 120.400 0.078 0.000 2.312 558 D HA -0.059 4.581 4.640 0.000 0.000 0.211 558 D C 0.900 177.008 176.300 -0.319 0.000 0.964 558 D CA 0.795 54.718 54.000 -0.129 0.000 0.877 558 D CB -0.066 40.593 40.800 -0.236 0.000 0.924 558 D HN 0.305 nan 8.370 nan 0.000 0.515 559 F N 0.207 120.034 119.950 -0.205 0.000 2.727 559 F HA 0.339 4.866 4.527 0.000 0.000 0.302 559 F C 1.670 177.387 175.800 -0.138 0.000 1.097 559 F CA 0.139 57.924 58.000 -0.359 0.000 1.330 559 F CB 0.113 38.523 39.000 -0.984 0.000 1.084 559 F HN -0.101 nan 8.300 nan 0.000 0.578 560 G N 0.102 109.006 108.800 0.173 0.000 2.796 560 G HA2 -0.361 3.599 3.960 0.000 0.000 0.571 560 G HA3 -0.361 3.599 3.960 0.000 0.000 0.571 560 G C 0.211 175.370 174.900 0.433 0.000 1.370 560 G CA -0.032 45.216 45.100 0.248 0.000 0.856 560 G HN 0.142 nan 8.290 nan 0.000 0.538 561 Y N 0.695 121.110 120.300 0.191 0.000 2.145 561 Y HA 0.337 4.887 4.550 0.000 0.000 0.286 561 Y C 1.875 177.888 175.900 0.188 0.000 1.145 561 Y CA 2.849 61.045 58.100 0.161 0.000 1.148 561 Y CB -0.406 38.082 38.460 0.047 0.000 0.981 561 Y HN 1.360 nan 8.280 nan 0.000 0.507 562 A N -0.170 122.697 122.820 0.079 0.000 2.342 562 A HA 0.653 4.973 4.320 0.000 0.000 0.323 562 A C -1.544 176.046 177.584 0.009 0.000 1.125 562 A CA -0.249 51.657 52.037 -0.218 0.000 0.785 562 A CB 0.329 19.023 19.000 -0.509 0.000 1.221 562 A HN 0.446 nan 8.150 nan 0.000 0.463 563 F N 0.251 120.092 119.950 -0.181 0.000 2.725 563 F HA 0.606 5.133 4.527 0.000 0.000 0.309 563 F C -2.719 172.988 175.800 -0.154 0.000 1.132 563 F CA -1.996 55.936 58.000 -0.114 0.000 0.957 563 F CB 0.380 39.385 39.000 0.008 0.000 1.286 563 F HN 0.321 nan 8.300 nan 0.000 0.440 564 P HA -0.095 nan 4.420 nan 0.000 0.215 564 P C 0.290 177.529 177.300 -0.101 0.000 1.163 564 P CA 2.887 65.930 63.100 -0.095 0.000 0.894 564 P CB 0.019 31.708 31.700 -0.018 0.000 0.791 565 C N -5.969 113.387 119.300 0.094 0.000 3.222 565 C HA 0.378 4.838 4.460 0.000 0.000 0.296 565 C C -0.837 174.258 174.990 0.176 0.000 1.381 565 C CA -0.364 58.708 59.018 0.090 0.000 1.116 565 C CB 0.008 27.752 27.740 0.005 0.000 1.558 565 C HN 0.118 nan 8.230 nan 0.000 0.398 566 D N 0.262 120.699 120.400 0.061 0.000 2.692 566 D HA 0.496 5.136 4.640 0.000 0.000 0.290 566 D C 0.575 176.872 176.300 -0.005 0.000 1.455 566 D CA 1.780 55.764 54.000 -0.026 0.000 0.796 566 D CB 0.377 41.106 40.800 -0.118 0.000 1.131 566 D HN 2.034 nan 8.370 nan 0.000 0.467 567 G N 1.436 110.250 108.800 0.023 0.000 2.795 567 G HA2 -0.197 3.763 3.960 0.000 0.000 0.664 567 G HA3 -0.197 3.763 3.960 0.000 0.000 0.664 567 G C -1.849 173.070 174.900 0.032 0.000 1.381 567 G CA -0.331 44.787 45.100 0.029 0.000 0.853 567 G HN 0.041 nan 8.290 nan 0.000 0.545 568 P HA 0.150 nan 4.420 nan 0.000 0.245 568 P C 1.291 178.604 177.300 0.022 0.000 1.212 568 P CA 1.352 64.472 63.100 0.033 0.000 0.774 568 P CB -0.016 31.704 31.700 0.034 0.000 0.999 569 G N 0.566 109.377 108.800 0.017 0.000 2.634 569 G HA2 0.118 4.079 3.960 0.000 0.000 0.255 569 G HA3 0.118 4.079 3.960 0.000 0.000 0.255 569 G C 0.266 175.171 174.900 0.010 0.000 1.205 569 G CA -0.533 44.574 45.100 0.012 0.000 0.884 569 G HN 0.068 nan 8.290 nan 0.000 0.549 570 R N -0.813 119.692 120.500 0.008 0.000 3.627 570 R HA -0.262 4.078 4.340 0.000 0.000 0.281 570 R C 1.487 177.793 176.300 0.009 0.000 1.140 570 R CA 1.005 57.109 56.100 0.007 0.000 0.761 570 R CB -1.817 28.485 30.300 0.003 0.000 1.181 570 R HN 2.036 nan 8.270 nan 0.000 0.472 571 G N -1.618 107.189 108.800 0.011 0.000 2.284 571 G HA2 -0.160 3.800 3.960 0.000 0.000 0.230 571 G HA3 -0.160 3.800 3.960 0.000 0.000 0.230 571 G C 0.475 175.385 174.900 0.017 0.000 1.021 571 G CA 0.085 45.192 45.100 0.012 0.000 0.619 571 G HN 1.472 nan 8.290 nan 0.000 0.510 572 G N -2.113 106.699 108.800 0.021 0.000 2.653 572 G HA2 0.531 4.491 3.960 0.000 0.000 0.656 572 G HA3 0.531 4.491 3.960 0.000 0.000 0.656 572 G C 0.097 175.016 174.900 0.032 0.000 1.419 572 G CA 0.782 45.901 45.100 0.032 0.000 0.862 572 G HN 1.908 nan 8.290 nan 0.000 0.639 573 T N -2.230 112.347 114.554 0.038 0.000 3.275 573 T HA 0.352 4.702 4.350 0.000 0.000 0.298 573 T C 1.096 175.812 174.700 0.027 0.000 0.988 573 T CA 0.417 62.534 62.100 0.029 0.000 0.936 573 T CB -0.848 68.030 68.868 0.018 0.000 1.159 573 T HN 1.322 nan 8.240 nan 0.000 0.519 574 C N 2.679 122.012 119.300 0.055 0.000 2.597 574 C HA 0.183 4.644 4.460 0.000 0.000 0.412 574 C C 1.064 176.053 174.990 -0.002 0.000 1.348 574 C CA -0.255 58.786 59.018 0.038 0.000 1.769 574 C CB -0.902 26.941 27.740 0.171 0.000 2.641 574 C HN 0.745 nan 8.230 nan 0.000 0.612 575 D N -0.239 120.112 120.400 -0.082 0.000 2.800 575 D HA -0.195 4.445 4.640 0.000 0.000 0.232 575 D C 0.367 176.622 176.300 -0.076 0.000 1.137 575 D CA 0.866 54.824 54.000 -0.071 0.000 0.718 575 D CB -0.602 40.212 40.800 0.024 0.000 1.084 575 D HN 0.830 nan 8.370 nan 0.000 0.432 576 I N -0.023 120.472 120.570 -0.126 0.000 3.728 576 I HA -0.072 4.098 4.170 0.000 0.000 0.307 576 I C 1.139 177.149 176.117 -0.178 0.000 1.276 576 I CA 0.288 61.529 61.300 -0.097 0.000 1.285 576 I CB 0.321 38.310 38.000 -0.019 0.000 1.038 576 I HN 0.078 nan 8.210 nan 0.000 0.445 577 S N 0.048 115.483 115.700 -0.442 0.000 2.632 577 S HA 0.446 4.916 4.470 0.000 0.000 0.271 577 S C 1.386 175.832 174.600 -0.256 0.000 1.260 577 S CA -0.111 57.742 58.200 -0.578 0.000 1.010 577 S CB 1.773 64.179 63.200 -1.323 0.000 0.965 577 S HN 0.224 nan 8.310 nan 0.000 0.534 578 A N 1.213 123.942 122.820 -0.152 0.000 1.978 578 A HA -0.080 4.240 4.320 0.000 0.000 0.220 578 A C 1.730 179.161 177.584 -0.255 0.000 1.170 578 A CA 1.461 53.459 52.037 -0.064 0.000 0.636 578 A CB -1.321 17.790 19.000 0.186 0.000 0.810 578 A HN 1.073 nan 8.150 nan 0.000 0.448 579 W N 1.193 121.983 121.300 -0.851 0.000 2.363 579 W HA -0.148 4.512 4.660 0.000 0.000 0.296 579 W C 1.318 177.718 176.519 -0.197 0.000 1.212 579 W CA 1.659 58.509 57.345 -0.825 0.000 1.260 579 W CB 0.073 29.016 29.460 -0.863 0.000 1.131 579 W HN 0.385 nan 8.180 nan 0.000 0.530 580 D N 0.199 120.650 120.400 0.086 0.000 2.178 580 D HA -0.166 4.474 4.640 0.000 0.000 0.201 580 D C 2.208 178.516 176.300 0.015 0.000 0.980 580 D CA 1.645 55.711 54.000 0.109 0.000 0.842 580 D CB -0.668 40.148 40.800 0.027 0.000 0.948 580 D HN 0.310 nan 8.370 nan 0.000 0.472 581 A N 0.932 123.720 122.820 -0.052 0.000 1.898 581 A HA -0.134 4.186 4.320 0.000 0.000 0.216 581 A C 2.038 179.536 177.584 -0.143 0.000 1.181 581 A CA 0.870 52.862 52.037 -0.075 0.000 0.620 581 A CB -0.938 18.036 19.000 -0.043 0.000 0.819 581 A HN 0.305 nan 8.150 nan 0.000 0.442 582 F N -0.205 119.582 119.950 -0.271 0.000 2.134 582 F HA -0.236 4.291 4.527 0.000 0.000 0.299 582 F C 2.099 177.648 175.800 -0.419 0.000 1.097 582 F CA 1.917 59.721 58.000 -0.327 0.000 1.264 582 F CB -0.748 38.027 39.000 -0.375 0.000 1.001 582 F HN 0.365 nan 8.300 nan 0.000 0.479 583 Y N 1.131 120.730 120.300 -1.167 0.000 2.165 583 Y HA -0.200 4.350 4.550 0.000 0.000 0.286 583 Y C 1.864 177.373 175.900 -0.653 0.000 1.155 583 Y CA 2.179 59.583 58.100 -1.160 0.000 1.164 583 Y CB -0.715 37.277 38.460 -0.780 0.000 0.978 583 Y HN 0.199 nan 8.280 nan 0.000 0.513 584 L N -0.020 120.857 121.223 -0.577 0.000 2.109 584 L HA -0.086 4.254 4.340 0.000 0.000 0.207 584 L C 2.838 179.534 176.870 -0.290 0.000 1.086 584 L CA 0.959 55.559 54.840 -0.400 0.000 0.760 584 L CB -0.913 41.035 42.059 -0.185 0.000 0.910 584 L HN 0.349 nan 8.230 nan 0.000 0.437 585 A N -0.380 122.225 122.820 -0.358 0.000 1.972 585 A HA -0.204 4.116 4.320 0.000 0.000 0.219 585 A C 2.340 179.692 177.584 -0.387 0.000 1.169 585 A CA 1.331 53.190 52.037 -0.296 0.000 0.635 585 A CB -0.362 18.452 19.000 -0.310 0.000 0.810 585 A HN 0.263 nan 8.150 nan 0.000 0.446 586 M N -1.408 117.784 119.600 -0.680 0.000 2.149 586 M HA -0.127 4.353 4.480 0.000 0.000 0.261 586 M C 1.969 177.829 176.300 -0.734 0.000 1.064 586 M CA 1.409 56.232 55.300 -0.794 0.000 1.102 586 M CB -1.234 30.721 32.600 -1.075 0.000 1.369 586 M HN 0.523 nan 8.290 nan 0.000 0.408 587 F N -1.702 117.865 119.950 -0.639 0.000 2.134 587 F HA -0.236 4.291 4.527 0.000 0.000 0.299 587 F C 2.139 177.585 175.800 -0.590 0.000 1.097 587 F CA 1.223 58.826 58.000 -0.662 0.000 1.264 587 F CB -0.663 37.875 39.000 -0.771 0.000 1.001 587 F HN 0.147 nan 8.300 nan 0.000 0.479 588 W N -0.429 120.682 121.300 -0.316 0.000 2.418 588 W HA -0.160 4.500 4.660 0.000 0.000 0.292 588 W C 2.601 178.876 176.519 -0.407 0.000 1.213 588 W CA 0.925 58.057 57.345 -0.355 0.000 1.283 588 W CB -0.273 28.994 29.460 -0.321 0.000 1.119 588 W HN -0.081 nan 8.180 nan 0.000 0.542 589 M N -0.064 119.401 119.600 -0.225 0.000 2.086 589 M HA -0.186 4.294 4.480 0.000 0.000 0.261 589 M C 1.815 177.885 176.300 -0.384 0.000 1.067 589 M CA 1.822 56.941 55.300 -0.301 0.000 1.116 589 M CB -1.003 31.370 32.600 -0.378 0.000 1.348 589 M HN 0.086 nan 8.290 nan 0.000 0.407 590 L N 0.540 121.481 121.223 -0.470 0.000 2.042 590 L HA -0.273 4.067 4.340 0.000 0.000 0.210 590 L C 2.286 178.896 176.870 -0.434 0.000 1.076 590 L CA 1.842 56.368 54.840 -0.524 0.000 0.749 590 L CB -1.046 40.497 42.059 -0.859 0.000 0.893 590 L HN 0.430 nan 8.230 nan 0.000 0.432 591 N N -0.592 117.798 118.700 -0.517 0.000 2.104 591 N HA -0.172 4.568 4.740 0.000 0.000 0.190 591 N C 1.662 176.628 175.510 -0.907 0.000 1.024 591 N CA 2.007 54.621 53.050 -0.727 0.000 0.853 591 N CB -0.019 37.823 38.487 -1.074 0.000 1.008 591 N HN 0.156 nan 8.380 nan 0.000 0.424 592 T N 0.789 114.985 114.554 -0.598 0.000 2.701 592 T HA -0.012 4.338 4.350 0.000 0.000 0.263 592 T C 1.721 176.284 174.700 -0.229 0.000 1.040 592 T CA 0.917 62.810 62.100 -0.345 0.000 1.147 592 T CB -0.139 68.645 68.868 -0.140 0.000 0.865 592 T HN 0.176 nan 8.240 nan 0.000 0.426 593 I N 1.674 122.058 120.570 -0.309 0.000 2.454 593 I HA -0.059 4.111 4.170 0.000 0.000 0.254 593 I C 2.729 178.660 176.117 -0.309 0.000 1.156 593 I CA 1.045 62.109 61.300 -0.394 0.000 1.433 593 I CB -1.822 35.722 38.000 -0.760 0.000 1.082 593 I HN 0.299 nan 8.210 nan 0.000 0.432 594 G N 0.280 108.937 108.800 -0.238 0.000 2.414 594 G HA2 -0.216 3.744 3.960 0.000 0.000 0.215 594 G HA3 -0.216 3.744 3.960 0.000 0.000 0.215 594 G C 1.341 176.126 174.900 -0.191 0.000 1.188 594 G CA 0.158 45.122 45.100 -0.227 0.000 0.783 594 G HN 0.230 nan 8.290 nan 0.000 0.537 595 W N 0.791 121.898 121.300 -0.322 0.000 2.338 595 W HA -0.106 4.554 4.660 0.000 0.000 0.304 595 W C 2.875 179.425 176.519 0.053 0.000 1.212 595 W CA 1.424 58.628 57.345 -0.235 0.000 1.264 595 W CB -1.365 27.962 29.460 -0.221 0.000 1.142 595 W HN 0.195 nan 8.180 nan 0.000 0.512 596 V N 0.519 120.609 119.914 0.293 0.000 2.515 596 V HA -0.203 3.917 4.120 0.000 0.000 0.250 596 V C 2.031 178.394 176.094 0.448 0.000 1.058 596 V CA 2.895 65.408 62.300 0.356 0.000 1.064 596 V CB -0.967 30.987 31.823 0.218 0.000 0.675 596 V HN 0.208 nan 8.190 nan 0.000 0.461 597 T N -3.342 111.439 114.554 0.379 0.000 2.978 597 T HA 0.012 4.362 4.350 0.000 0.000 0.262 597 T C 1.757 176.925 174.700 0.780 0.000 1.063 597 T CA 1.074 63.481 62.100 0.512 0.000 1.140 597 T CB -0.600 68.482 68.868 0.357 0.000 0.886 597 T HN 0.388 nan 8.240 nan 0.000 0.470 598 F N 1.120 121.377 119.950 0.511 0.000 2.134 598 F HA 0.055 4.582 4.527 0.000 0.000 0.299 598 F C 2.367 178.559 175.800 0.652 0.000 1.097 598 F CA 0.090 58.502 58.000 0.688 0.000 1.264 598 F CB -1.050 38.341 39.000 0.651 0.000 1.001 598 F HN 0.172 nan 8.300 nan 0.000 0.479 599 Y N -1.093 119.670 120.300 0.771 0.000 2.114 599 Y HA -0.282 4.268 4.550 0.000 0.000 0.284 599 Y C 2.354 178.442 175.900 0.313 0.000 1.143 599 Y CA 1.451 59.946 58.100 0.658 0.000 1.135 599 Y CB -1.416 37.358 38.460 0.523 0.000 0.980 599 Y HN 0.207 nan 8.280 nan 0.000 0.499 600 W N 0.741 121.994 121.300 -0.079 0.000 2.342 600 W HA -0.240 4.420 4.660 0.000 0.000 0.297 600 W C 2.857 179.264 176.519 -0.187 0.000 1.213 600 W CA 2.542 59.645 57.345 -0.403 0.000 1.251 600 W CB -0.676 28.483 29.460 -0.502 0.000 1.136 600 W HN 0.315 nan 8.180 nan 0.000 0.526 601 H N -1.772 117.547 119.070 0.414 0.000 2.307 601 H HA -0.236 4.320 4.556 0.000 0.000 0.303 601 H C 2.057 177.413 175.328 0.047 0.000 1.073 601 H CA 1.769 58.024 56.048 0.345 0.000 1.338 601 H CB -0.981 29.124 29.762 0.572 0.000 1.389 601 H HN 0.222 nan 8.280 nan 0.000 0.503 602 W N 2.756 123.807 121.300 -0.416 0.000 2.338 602 W HA -0.175 4.485 4.660 0.000 0.000 0.304 602 W C 2.619 178.780 176.519 -0.596 0.000 1.212 602 W CA 1.630 58.628 57.345 -0.580 0.000 1.264 602 W CB -0.518 28.474 29.460 -0.781 0.000 1.142 602 W HN 0.147 nan 8.180 nan 0.000 0.512 603 K N -1.106 118.844 120.400 -0.749 0.000 2.032 603 K HA -0.252 4.068 4.320 0.000 0.000 0.209 603 K C 1.965 177.961 176.600 -1.007 0.000 1.048 603 K CA 2.122 57.699 56.287 -1.184 0.000 0.927 603 K CB -0.608 31.093 32.500 -1.332 0.000 0.712 603 K HN 0.129 nan 8.250 nan 0.000 0.441 604 H N -0.098 118.254 119.070 -1.198 0.000 2.456 604 H HA -0.089 4.467 4.556 0.000 0.000 0.296 604 H C 1.673 176.133 175.328 -1.447 0.000 1.079 604 H CA 1.061 56.115 56.048 -1.656 0.000 1.322 604 H CB 0.067 28.393 29.762 -2.395 0.000 1.388 604 H HN 0.074 nan 8.280 nan 0.000 0.538 605 L N -0.207 120.583 121.223 -0.722 0.000 2.012 605 L HA -0.082 4.258 4.340 0.000 0.000 0.210 605 L C 2.566 179.305 176.870 -0.218 0.000 1.073 605 L CA 1.993 56.658 54.840 -0.292 0.000 0.748 605 L CB -1.085 40.907 42.059 -0.111 0.000 0.891 605 L HN 0.400 nan 8.230 nan 0.000 0.431 606 G N -1.792 106.822 108.800 -0.309 0.000 2.404 606 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 606 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 606 G C 1.658 176.401 174.900 -0.261 0.000 1.174 606 G CA 0.854 45.811 45.100 -0.238 0.000 0.780 606 G HN 0.266 nan 8.290 nan 0.000 0.537 607 V N -0.158 119.487 119.914 -0.448 0.000 2.392 607 V HA -0.142 3.978 4.120 0.000 0.000 0.249 607 V C 2.550 178.526 176.094 -0.196 0.000 1.059 607 V CA 1.478 63.535 62.300 -0.405 0.000 1.051 607 V CB -0.452 30.965 31.823 -0.676 0.000 0.658 607 V HN 0.536 nan 8.190 nan 0.000 0.455 608 W N 0.161 121.294 121.300 -0.279 0.000 2.518 608 W HA 0.033 4.693 4.660 0.000 0.000 0.273 608 W C 2.254 178.677 176.519 -0.161 0.000 1.247 608 W CA 0.500 57.665 57.345 -0.299 0.000 1.288 608 W CB -0.632 28.482 29.460 -0.576 0.000 1.107 608 W HN 0.375 nan 8.180 nan 0.000 0.586 609 E N -0.726 119.525 120.200 0.085 0.000 2.489 609 E HA 0.172 4.522 4.350 0.000 0.000 0.193 609 E C 1.612 178.226 176.600 0.022 0.000 1.057 609 E CA 0.476 56.907 56.400 0.053 0.000 0.866 609 E CB -0.218 29.505 29.700 0.037 0.000 0.916 609 E HN 0.194 nan 8.360 nan 0.000 0.500 610 G N 2.617 111.419 108.800 0.002 0.000 2.160 610 G HA2 -0.348 3.612 3.960 0.000 0.000 0.251 610 G HA3 -0.348 3.612 3.960 0.000 0.000 0.251 610 G C 0.072 174.955 174.900 -0.028 0.000 1.008 610 G CA 0.507 45.599 45.100 -0.012 0.000 0.724 610 G HN 0.431 nan 8.290 nan 0.000 0.514 611 N N -0.399 118.275 118.700 -0.044 0.000 2.813 611 N HA 0.341 5.081 4.740 0.000 0.000 0.282 611 N C 1.711 177.174 175.510 -0.079 0.000 1.748 611 N CA 0.079 53.103 53.050 -0.044 0.000 0.860 611 N CB 0.549 39.026 38.487 -0.016 0.000 1.204 611 N HN 0.460 nan 8.380 nan 0.000 0.490 612 V N -0.555 119.301 119.914 -0.096 0.000 2.867 612 V HA -0.042 4.078 4.120 0.000 0.000 0.260 612 V C 2.202 178.241 176.094 -0.091 0.000 1.099 612 V CA 1.701 63.929 62.300 -0.119 0.000 1.122 612 V CB -0.821 30.934 31.823 -0.113 0.000 0.708 612 V HN 0.441 nan 8.190 nan 0.000 0.490 613 A N 0.031 122.810 122.820 -0.069 0.000 1.978 613 A HA -0.289 4.031 4.320 0.000 0.000 0.220 613 A C 2.325 179.855 177.584 -0.091 0.000 1.170 613 A CA 2.188 54.188 52.037 -0.063 0.000 0.636 613 A CB -0.616 18.363 19.000 -0.035 0.000 0.810 613 A HN 0.706 nan 8.150 nan 0.000 0.448 614 Q N -1.592 118.155 119.800 -0.088 0.000 2.030 614 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 614 Q C 1.906 177.720 176.000 -0.309 0.000 0.986 614 Q CA 2.072 57.821 55.803 -0.090 0.000 0.843 614 Q CB -0.306 28.436 28.738 0.007 0.000 0.904 614 Q HN 0.659 nan 8.270 nan 0.000 0.420 615 F N 1.339 120.899 119.950 -0.651 0.000 2.075 615 F HA -0.159 4.368 4.527 0.000 0.000 0.297 615 F C 1.660 177.080 175.800 -0.634 0.000 1.113 615 F CA 2.148 59.481 58.000 -1.111 0.000 1.218 615 F CB -0.514 37.862 39.000 -1.039 0.000 0.984 615 F HN 0.191 nan 8.300 nan 0.000 0.472 616 N N -0.123 118.366 118.700 -0.351 0.000 2.094 616 N HA -0.230 4.510 4.740 0.000 0.000 0.191 616 N C 1.526 176.879 175.510 -0.262 0.000 1.023 616 N CA 1.803 54.698 53.050 -0.258 0.000 0.857 616 N CB -0.237 38.202 38.487 -0.080 0.000 1.013 616 N HN 0.521 nan 8.380 nan 0.000 0.426 617 E N -0.241 119.835 120.200 -0.207 0.000 2.216 617 E HA 0.109 4.460 4.350 0.000 0.000 0.192 617 E C 1.531 178.113 176.600 -0.029 0.000 0.973 617 E CA 0.302 56.654 56.400 -0.081 0.000 0.851 617 E CB 0.265 29.956 29.700 -0.015 0.000 0.804 617 E HN 0.134 nan 8.360 nan 0.000 0.477 618 S N 0.789 116.382 115.700 -0.178 0.000 2.470 618 S HA -0.066 4.404 4.470 0.000 0.000 0.225 618 S C 1.987 176.368 174.600 -0.363 0.000 1.006 618 S CA 0.797 58.890 58.200 -0.178 0.000 0.934 618 S CB 0.089 63.306 63.200 0.028 0.000 0.778 618 S HN 0.285 nan 8.310 nan 0.000 0.517 619 S N 1.467 116.784 115.700 -0.638 0.000 2.555 619 S HA -0.064 4.406 4.470 0.000 0.000 0.230 619 S C 1.645 176.340 174.600 0.157 0.000 0.978 619 S CA 1.094 58.994 58.200 -0.501 0.000 0.934 619 S CB -0.736 61.624 63.200 -1.399 0.000 0.766 619 S HN 0.610 nan 8.310 nan 0.000 0.533 620 T N -1.264 113.353 114.554 0.106 0.000 3.100 620 T HA 0.239 4.589 4.350 0.000 0.000 0.253 620 T C 0.279 175.257 174.700 0.463 0.000 1.118 620 T CA -0.446 61.798 62.100 0.240 0.000 1.058 620 T CB -0.756 68.191 68.868 0.132 0.000 0.953 620 T HN 0.710 nan 8.240 nan 0.000 0.515 621 Y N -1.516 118.992 120.300 0.348 0.000 2.512 621 Y HA 0.672 5.222 4.550 0.000 0.000 0.348 621 Y C 0.632 176.770 175.900 0.396 0.000 0.990 621 Y CA -1.729 56.575 58.100 0.339 0.000 1.033 621 Y CB 1.297 39.852 38.460 0.159 0.000 1.259 621 Y HN -0.224 nan 8.280 nan 0.000 0.461 622 L N 1.825 123.231 121.223 0.304 0.000 2.217 622 L HA -0.106 4.235 4.340 0.000 0.000 0.211 622 L C 2.300 179.255 176.870 0.141 0.000 1.107 622 L CA 1.105 56.023 54.840 0.130 0.000 0.783 622 L CB -0.172 41.840 42.059 -0.077 0.000 0.919 622 L HN 0.871 nan 8.230 nan 0.000 0.442 623 M N 0.543 120.240 119.600 0.161 0.000 2.358 623 M HA -0.070 4.410 4.480 0.000 0.000 0.264 623 M C 1.885 178.182 176.300 -0.005 0.000 1.064 623 M CA 1.597 56.974 55.300 0.128 0.000 1.093 623 M CB -0.786 31.963 32.600 0.250 0.000 1.401 623 M HN 0.105 nan 8.290 nan 0.000 0.440 624 G N -1.316 107.298 108.800 -0.309 0.000 2.403 624 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 624 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 624 G C 1.068 175.862 174.900 -0.176 0.000 1.154 624 G CA 0.566 45.446 45.100 -0.366 0.000 0.784 624 G HN 0.609 nan 8.290 nan 0.000 0.538 625 W N 0.041 121.234 121.300 -0.178 0.000 2.407 625 W HA 0.162 4.822 4.660 0.000 0.000 0.305 625 W C 2.347 178.764 176.519 -0.170 0.000 1.196 625 W CA 0.371 57.549 57.345 -0.279 0.000 1.311 625 W CB -0.686 28.760 29.460 -0.022 0.000 1.135 625 W HN 0.168 nan 8.180 nan 0.000 0.514 626 L N 0.888 122.203 121.223 0.154 0.000 2.017 626 L HA -0.124 4.216 4.340 0.000 0.000 0.208 626 L C 2.526 179.431 176.870 0.058 0.000 1.073 626 L CA 2.013 56.912 54.840 0.098 0.000 0.745 626 L CB -0.841 41.267 42.059 0.081 0.000 0.894 626 L HN -0.029 nan 8.230 nan 0.000 0.432 627 R N -1.107 119.407 120.500 0.022 0.000 2.066 627 R HA -0.060 4.280 4.340 0.000 0.000 0.224 627 R C 1.252 177.622 176.300 0.116 0.000 1.122 627 R CA 1.386 57.508 56.100 0.037 0.000 0.974 627 R CB -0.075 30.198 30.300 -0.047 0.000 0.871 627 R HN 0.361 nan 8.270 nan 0.000 0.435 628 D N -0.788 119.620 120.400 0.014 0.000 2.350 628 D HA -0.055 4.585 4.640 0.000 0.000 0.213 628 D C 0.730 176.961 176.300 -0.116 0.000 1.031 628 D CA 0.470 54.517 54.000 0.078 0.000 0.861 628 D CB 0.364 41.319 40.800 0.258 0.000 0.926 628 D HN 0.259 nan 8.370 nan 0.000 0.520 629 Y N 0.618 120.548 120.300 -0.617 0.000 2.583 629 Y HA 0.209 4.759 4.550 0.000 0.000 0.270 629 Y C 1.803 177.557 175.900 -0.243 0.000 1.113 629 Y CA 0.419 58.023 58.100 -0.828 0.000 1.307 629 Y CB -0.355 37.228 38.460 -1.461 0.000 1.369 629 Y HN -0.243 nan 8.280 nan 0.000 0.506 630 L N -1.325 119.635 121.223 -0.439 0.000 2.034 630 L HA -0.122 4.219 4.340 0.000 0.000 0.203 630 L C 2.300 179.050 176.870 -0.200 0.000 1.074 630 L CA 1.731 56.274 54.840 -0.496 0.000 0.748 630 L CB -0.932 40.918 42.059 -0.349 0.000 0.905 630 L HN 0.432 nan 8.230 nan 0.000 0.439 631 W N 0.797 121.983 121.300 -0.190 0.000 2.355 631 W HA -0.211 4.449 4.660 0.000 0.000 0.309 631 W C 2.412 178.884 176.519 -0.078 0.000 1.206 631 W CA 1.336 58.617 57.345 -0.107 0.000 1.284 631 W CB -0.114 29.307 29.460 -0.065 0.000 1.145 631 W HN -0.017 nan 8.180 nan 0.000 0.502 632 L N 1.185 122.513 121.223 0.175 0.000 1.989 632 L HA -0.256 4.084 4.340 0.000 0.000 0.211 632 L C 1.652 178.411 176.870 -0.184 0.000 1.071 632 L CA 1.953 56.788 54.840 -0.008 0.000 0.749 632 L CB -0.888 41.286 42.059 0.192 0.000 0.890 632 L HN 0.058 nan 8.230 nan 0.000 0.431 633 N N -0.265 118.376 118.700 -0.100 0.000 2.521 633 N HA -0.071 4.669 4.740 0.000 0.000 0.188 633 N C 1.447 176.921 175.510 -0.060 0.000 1.146 633 N CA 0.990 53.989 53.050 -0.084 0.000 0.893 633 N CB 0.179 38.627 38.487 -0.065 0.000 0.975 633 N HN 0.408 nan 8.380 nan 0.000 0.451 634 S N -1.769 113.850 115.700 -0.135 0.000 2.556 634 S HA 0.178 4.648 4.470 0.000 0.000 0.216 634 S C 1.813 176.234 174.600 -0.298 0.000 0.970 634 S CA -0.354 57.733 58.200 -0.187 0.000 0.912 634 S CB 0.484 63.544 63.200 -0.233 0.000 0.790 634 S HN -0.031 nan 8.310 nan 0.000 0.504 635 S N 2.314 117.817 115.700 -0.329 0.000 2.359 635 S HA -0.159 4.311 4.470 0.000 0.000 0.222 635 S C 2.232 176.700 174.600 -0.219 0.000 1.038 635 S CA 1.664 59.677 58.200 -0.312 0.000 1.051 635 S CB -0.290 62.725 63.200 -0.308 0.000 0.944 635 S HN 0.661 nan 8.310 nan 0.000 0.433 636 Q N 0.453 120.140 119.800 -0.188 0.000 2.046 636 Q HA -0.065 4.275 4.340 0.000 0.000 0.200 636 Q C 2.363 178.274 176.000 -0.149 0.000 0.975 636 Q CA 0.962 56.678 55.803 -0.146 0.000 0.836 636 Q CB -1.035 27.625 28.738 -0.130 0.000 0.896 636 Q HN 0.531 nan 8.270 nan 0.000 0.428 637 L N 1.052 122.158 121.223 -0.195 0.000 2.010 637 L HA -0.219 4.121 4.340 0.000 0.000 0.219 637 L C 2.124 178.878 176.870 -0.193 0.000 1.077 637 L CA 1.699 56.415 54.840 -0.208 0.000 0.773 637 L CB -0.671 41.175 42.059 -0.354 0.000 0.892 637 L HN 0.080 nan 8.230 nan 0.000 0.436 638 I N -0.008 120.421 120.570 -0.235 0.000 2.756 638 I HA -0.207 3.963 4.170 0.000 0.000 0.262 638 I C 1.290 177.289 176.117 -0.198 0.000 1.225 638 I CA 1.254 62.432 61.300 -0.204 0.000 1.472 638 I CB -0.734 37.149 38.000 -0.195 0.000 1.094 638 I HN 0.425 nan 8.210 nan 0.000 0.454 639 N N -0.622 117.986 118.700 -0.153 0.000 2.238 639 N HA 0.134 4.874 4.740 0.000 0.000 0.222 639 N C 1.803 177.270 175.510 -0.071 0.000 1.133 639 N CA 0.378 53.361 53.050 -0.112 0.000 0.854 639 N CB 0.326 38.778 38.487 -0.059 0.000 1.041 639 N HN 0.230 nan 8.380 nan 0.000 0.510 640 G N 0.440 109.199 108.800 -0.069 0.000 2.475 640 G HA2 -0.214 3.747 3.960 0.000 0.000 0.220 640 G HA3 -0.214 3.747 3.960 0.000 0.000 0.220 640 G C 0.076 175.062 174.900 0.144 0.000 1.125 640 G CA 1.304 46.435 45.100 0.051 0.000 0.755 640 G HN 0.494 nan 8.290 nan 0.000 0.565 641 Y N -1.172 119.148 120.300 0.034 0.000 2.571 641 Y HA 0.636 5.186 4.550 0.000 0.000 0.341 641 Y C -0.778 175.127 175.900 0.009 0.000 1.076 641 Y CA -1.680 56.431 58.100 0.018 0.000 1.029 641 Y CB 0.986 39.461 38.460 0.025 0.000 1.308 641 Y HN 0.197 nan 8.280 nan 0.000 0.461 642 N N -0.266 118.508 118.700 0.124 0.000 3.378 642 N HA 0.450 5.190 4.740 0.000 0.000 0.294 642 N C -2.955 172.484 175.510 -0.118 0.000 1.544 642 N CA -2.027 51.012 53.050 -0.018 0.000 0.872 642 N CB 0.570 39.045 38.487 -0.019 0.000 1.670 642 N HN 0.280 nan 8.380 nan 0.000 0.551 643 P HA 0.128 nan 4.420 nan 0.000 0.231 643 P C -0.183 176.656 177.300 -0.767 0.000 1.158 643 P CA 1.007 63.731 63.100 -0.627 0.000 0.763 643 P CB -0.138 31.055 31.700 -0.845 0.000 0.805 644 F N -1.881 118.086 119.950 0.028 0.000 2.720 644 F HA 0.465 4.992 4.527 0.000 0.000 0.301 644 F C 1.502 177.310 175.800 0.014 0.000 1.103 644 F CA 0.208 58.218 58.000 0.015 0.000 1.291 644 F CB 0.438 39.441 39.000 0.005 0.000 1.086 644 F HN -0.085 nan 8.300 nan 0.000 0.592 645 G N -0.066 108.798 108.800 0.106 0.000 2.333 645 G HA2 0.410 4.370 3.960 0.000 0.000 0.288 645 G HA3 0.410 4.370 3.960 0.000 0.000 0.288 645 G C -1.458 173.490 174.900 0.079 0.000 1.286 645 G CA -0.289 44.857 45.100 0.077 0.000 0.865 645 G HN 0.078 nan 8.290 nan 0.000 0.506 646 T N -1.475 113.108 114.554 0.047 0.000 2.956 646 T HA 0.716 5.066 4.350 0.000 0.000 0.312 646 T C -0.485 174.207 174.700 -0.014 0.000 1.151 646 T CA -0.376 61.756 62.100 0.053 0.000 1.024 646 T CB 1.868 70.747 68.868 0.018 0.000 1.140 646 T HN 1.299 nan 8.240 nan 0.000 0.473 647 N N 1.264 119.945 118.700 -0.032 0.000 2.890 647 N HA 0.241 4.982 4.740 0.000 0.000 0.317 647 N C 0.419 175.769 175.510 -0.268 0.000 1.355 647 N CA -0.897 52.079 53.050 -0.123 0.000 0.803 647 N CB 1.300 39.740 38.487 -0.079 0.000 1.465 647 N HN 0.847 nan 8.380 nan 0.000 0.591 648 N N -0.698 117.765 118.700 -0.395 0.000 2.626 648 N HA -0.036 4.704 4.740 0.000 0.000 0.193 648 N C 0.504 175.854 175.510 -0.267 0.000 1.213 648 N CA 0.221 52.847 53.050 -0.707 0.000 0.914 648 N CB -0.130 38.043 38.487 -0.523 0.000 0.994 648 N HN 0.408 nan 8.380 nan 0.000 0.447 649 L N 0.196 121.400 121.223 -0.032 0.000 2.808 649 L HA 0.177 4.517 4.340 0.000 0.000 0.246 649 L C 1.770 178.790 176.870 0.251 0.000 1.153 649 L CA -0.132 54.844 54.840 0.227 0.000 0.956 649 L CB 0.115 42.256 42.059 0.136 0.000 1.270 649 L HN 0.307 nan 8.230 nan 0.000 0.528 650 S N -0.209 115.606 115.700 0.192 0.000 2.399 650 S HA -0.143 4.327 4.470 0.000 0.000 0.231 650 S C 1.854 176.658 174.600 0.341 0.000 1.022 650 S CA 1.211 59.605 58.200 0.324 0.000 0.983 650 S CB -0.764 62.569 63.200 0.220 0.000 0.803 650 S HN 0.232 nan 8.310 nan 0.000 0.480 651 V N -0.139 119.921 119.914 0.244 0.000 2.237 651 V HA -0.150 3.970 4.120 0.000 0.000 0.245 651 V C 2.349 178.525 176.094 0.137 0.000 1.046 651 V CA 1.651 63.971 62.300 0.033 0.000 1.007 651 V CB -1.881 29.731 31.823 -0.353 0.000 0.638 651 V HN 0.628 nan 8.190 nan 0.000 0.445 652 W N 0.744 122.208 121.300 0.272 0.000 2.350 652 W HA 0.022 4.682 4.660 0.000 0.000 0.289 652 W C 2.713 179.388 176.519 0.261 0.000 1.215 652 W CA 1.120 58.599 57.345 0.223 0.000 1.236 652 W CB -0.529 28.995 29.460 0.105 0.000 1.130 652 W HN 0.260 nan 8.180 nan 0.000 0.541 653 A N -0.847 122.251 122.820 0.462 0.000 1.929 653 A HA -0.168 4.152 4.320 0.000 0.000 0.216 653 A C 1.578 179.479 177.584 0.528 0.000 1.176 653 A CA 1.218 53.475 52.037 0.368 0.000 0.628 653 A CB -1.220 17.891 19.000 0.185 0.000 0.816 653 A HN 0.480 nan 8.150 nan 0.000 0.444 654 W N 0.066 121.611 121.300 0.408 0.000 2.379 654 W HA -0.132 4.528 4.660 0.000 0.000 0.307 654 W C 2.264 178.969 176.519 0.310 0.000 1.200 654 W CA 1.910 59.470 57.345 0.358 0.000 1.297 654 W CB -0.117 29.458 29.460 0.193 0.000 1.140 654 W HN 0.346 nan 8.180 nan 0.000 0.507 655 M N -0.590 119.360 119.600 0.583 0.000 2.149 655 M HA -0.219 4.261 4.480 0.000 0.000 0.261 655 M C 2.137 178.711 176.300 0.456 0.000 1.064 655 M CA 1.919 57.496 55.300 0.462 0.000 1.102 655 M CB -0.722 32.132 32.600 0.424 0.000 1.369 655 M HN 0.128 nan 8.290 nan 0.000 0.408 656 F N 1.074 121.201 119.950 0.294 0.000 2.126 656 F HA -0.201 4.326 4.527 0.000 0.000 0.299 656 F C 1.686 177.615 175.800 0.214 0.000 1.096 656 F CA 1.754 59.898 58.000 0.240 0.000 1.255 656 F CB -0.411 38.700 39.000 0.186 0.000 0.997 656 F HN 0.100 nan 8.300 nan 0.000 0.479 657 L N -1.381 119.922 121.223 0.133 0.000 2.109 657 L HA -0.180 4.160 4.340 0.000 0.000 0.207 657 L C 2.395 179.223 176.870 -0.070 0.000 1.086 657 L CA 1.110 55.896 54.840 -0.090 0.000 0.760 657 L CB -0.825 41.183 42.059 -0.084 0.000 0.910 657 L HN 0.191 nan 8.230 nan 0.000 0.437 658 F N 0.971 120.777 119.950 -0.240 0.000 2.126 658 F HA -0.168 4.359 4.527 0.000 0.000 0.299 658 F C 2.216 177.970 175.800 -0.077 0.000 1.096 658 F CA 1.670 59.516 58.000 -0.258 0.000 1.255 658 F CB -0.593 38.221 39.000 -0.310 0.000 0.997 658 F HN -0.010 nan 8.300 nan 0.000 0.479 659 G N -1.357 107.494 108.800 0.085 0.000 2.418 659 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 659 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 659 G C 1.266 176.069 174.900 -0.162 0.000 1.158 659 G CA 1.195 46.274 45.100 -0.035 0.000 0.771 659 G HN 0.481 nan 8.290 nan 0.000 0.545 660 H N -0.594 118.306 119.070 -0.283 0.000 2.387 660 H HA -0.014 4.542 4.556 0.000 0.000 0.299 660 H C 2.297 177.554 175.328 -0.119 0.000 1.099 660 H CA 1.385 57.267 56.048 -0.278 0.000 1.315 660 H CB -0.133 29.409 29.762 -0.367 0.000 1.380 660 H HN 0.313 nan 8.280 nan 0.000 0.513 661 L N -0.185 121.002 121.223 -0.060 0.000 2.056 661 L HA -0.092 4.248 4.340 0.000 0.000 0.207 661 L C 2.037 178.857 176.870 -0.083 0.000 1.078 661 L CA 1.122 55.906 54.840 -0.094 0.000 0.749 661 L CB -0.452 41.504 42.059 -0.172 0.000 0.901 661 L HN 0.088 nan 8.230 nan 0.000 0.433 662 V N -1.266 118.533 119.914 -0.191 0.000 2.427 662 V HA -0.270 3.850 4.120 0.000 0.000 0.248 662 V C 2.125 178.316 176.094 0.162 0.000 1.051 662 V CA 1.853 64.108 62.300 -0.075 0.000 1.048 662 V CB -0.885 30.774 31.823 -0.272 0.000 0.666 662 V HN 0.759 nan 8.190 nan 0.000 0.456 663 W N 1.166 122.408 121.300 -0.096 0.000 2.354 663 W HA -0.186 4.474 4.660 0.000 0.000 0.315 663 W C 2.444 178.975 176.519 0.020 0.000 1.206 663 W CA 2.121 59.425 57.345 -0.067 0.000 1.290 663 W CB -0.387 28.914 29.460 -0.264 0.000 1.152 663 W HN 0.162 nan 8.180 nan 0.000 0.489 664 A N -0.693 122.172 122.820 0.075 0.000 2.015 664 A HA -0.134 4.186 4.320 0.000 0.000 0.219 664 A C 1.848 179.371 177.584 -0.102 0.000 1.163 664 A CA 2.084 53.940 52.037 -0.303 0.000 0.646 664 A CB -1.242 17.648 19.000 -0.183 0.000 0.806 664 A HN 0.303 nan 8.150 nan 0.000 0.448 665 T N -0.272 114.300 114.554 0.031 0.000 2.915 665 T HA -0.021 4.329 4.350 0.000 0.000 0.269 665 T C 1.885 176.646 174.700 0.100 0.000 1.071 665 T CA 1.227 63.355 62.100 0.047 0.000 1.132 665 T CB -0.373 68.570 68.868 0.124 0.000 0.878 665 T HN 0.578 nan 8.240 nan 0.000 0.479 666 G N 0.408 109.356 108.800 0.247 0.000 2.422 666 G HA2 -0.113 3.847 3.960 0.000 0.000 0.218 666 G HA3 -0.113 3.847 3.960 0.000 0.000 0.218 666 G C 1.143 176.266 174.900 0.371 0.000 1.140 666 G CA 0.125 45.446 45.100 0.368 0.000 0.775 666 G HN 0.405 nan 8.290 nan 0.000 0.545 667 F N 0.435 120.376 119.950 -0.016 0.000 2.269 667 F HA 0.031 4.558 4.527 0.000 0.000 0.301 667 F C 2.629 178.400 175.800 -0.048 0.000 1.082 667 F CA 1.092 59.054 58.000 -0.063 0.000 1.360 667 F CB -0.330 38.569 39.000 -0.169 0.000 1.041 667 F HN 0.157 nan 8.300 nan 0.000 0.512 668 M N -0.947 118.685 119.600 0.053 0.000 2.086 668 M HA -0.244 4.236 4.480 0.000 0.000 0.261 668 M C 1.948 178.148 176.300 -0.168 0.000 1.067 668 M CA 2.065 57.273 55.300 -0.153 0.000 1.116 668 M CB -0.457 31.874 32.600 -0.449 0.000 1.348 668 M HN 0.065 nan 8.290 nan 0.000 0.407 669 F N 0.241 120.194 119.950 0.005 0.000 2.259 669 F HA -0.082 4.445 4.527 0.000 0.000 0.298 669 F C 1.895 177.756 175.800 0.101 0.000 1.088 669 F CA 0.939 58.938 58.000 -0.002 0.000 1.358 669 F CB -0.509 38.426 39.000 -0.108 0.000 1.040 669 F HN 0.127 nan 8.300 nan 0.000 0.505 670 L N -0.607 120.785 121.223 0.281 0.000 2.240 670 L HA -0.073 4.267 4.340 0.000 0.000 0.211 670 L C 2.046 179.120 176.870 0.340 0.000 1.106 670 L CA 0.903 55.893 54.840 0.251 0.000 0.793 670 L CB -0.335 41.778 42.059 0.090 0.000 0.927 670 L HN 0.172 nan 8.230 nan 0.000 0.446 671 I N -1.388 119.315 120.570 0.221 0.000 2.729 671 I HA -0.012 4.158 4.170 0.000 0.000 0.256 671 I C 1.209 177.369 176.117 0.071 0.000 1.115 671 I CA 0.135 61.497 61.300 0.103 0.000 1.446 671 I CB 0.129 38.128 38.000 -0.001 0.000 1.176 671 I HN 0.150 nan 8.210 nan 0.000 0.446 672 S N 0.524 116.350 115.700 0.211 0.000 2.525 672 S HA 0.293 4.763 4.470 0.000 0.000 0.278 672 S C -0.997 173.982 174.600 0.631 0.000 1.234 672 S CA -0.635 57.701 58.200 0.227 0.000 1.058 672 S CB 0.857 64.187 63.200 0.217 0.000 0.983 672 S HN 0.117 nan 8.310 nan 0.000 0.495 673 W N 1.777 123.176 121.300 0.164 0.000 2.594 673 W HA 0.592 5.252 4.660 0.000 0.000 0.365 673 W C 1.827 178.522 176.519 0.294 0.000 1.196 673 W CA -2.038 55.423 57.345 0.192 0.000 1.258 673 W CB 0.785 30.299 29.460 0.089 0.000 1.405 673 W HN 0.824 nan 8.180 nan 0.000 0.640 674 R N 0.422 121.188 120.500 0.442 0.000 2.136 674 R HA -0.227 4.113 4.340 0.000 0.000 0.242 674 R C 2.160 178.641 176.300 0.301 0.000 1.131 674 R CA 2.835 59.145 56.100 0.350 0.000 0.937 674 R CB -1.068 29.341 30.300 0.181 0.000 0.863 674 R HN 0.789 nan 8.270 nan 0.000 0.435 675 G N -0.344 108.587 108.800 0.218 0.000 2.513 675 G HA2 -0.393 3.567 3.960 0.000 0.000 0.219 675 G HA3 -0.393 3.567 3.960 0.000 0.000 0.219 675 G C 1.266 176.200 174.900 0.056 0.000 1.160 675 G CA 1.226 46.401 45.100 0.125 0.000 0.767 675 G HN 0.586 nan 8.290 nan 0.000 0.571 676 Y N 0.340 120.610 120.300 -0.050 0.000 2.114 676 Y HA -0.234 4.316 4.550 0.000 0.000 0.282 676 Y C 2.565 178.281 175.900 -0.306 0.000 1.165 676 Y CA 2.041 59.988 58.100 -0.255 0.000 1.148 676 Y CB -0.385 37.795 38.460 -0.467 0.000 0.972 676 Y HN 0.332 nan 8.280 nan 0.000 0.504 677 W N 0.099 121.396 121.300 -0.006 0.000 2.409 677 W HA -0.126 4.534 4.660 0.000 0.000 0.299 677 W C 2.671 179.140 176.519 -0.084 0.000 1.203 677 W CA 1.147 58.466 57.345 -0.044 0.000 1.298 677 W CB -0.829 28.697 29.460 0.111 0.000 1.127 677 W HN 0.097 nan 8.180 nan 0.000 0.528 678 Q N 1.358 121.258 119.800 0.166 0.000 2.135 678 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 678 Q C 1.669 177.668 176.000 -0.001 0.000 0.981 678 Q CA 2.141 57.993 55.803 0.082 0.000 0.856 678 Q CB -0.412 28.369 28.738 0.072 0.000 0.902 678 Q HN 0.383 nan 8.270 nan 0.000 0.425 679 E N -0.592 119.559 120.200 -0.082 0.000 2.152 679 E HA -0.135 4.215 4.350 0.000 0.000 0.192 679 E C 1.865 178.382 176.600 -0.139 0.000 0.983 679 E CA 0.830 57.161 56.400 -0.115 0.000 0.818 679 E CB -0.136 29.469 29.700 -0.158 0.000 0.758 679 E HN 0.292 nan 8.360 nan 0.000 0.467 680 L N 1.234 122.321 121.223 -0.227 0.000 2.056 680 L HA -0.128 4.212 4.340 0.000 0.000 0.207 680 L C 2.062 178.929 176.870 -0.006 0.000 1.078 680 L CA 1.419 56.159 54.840 -0.166 0.000 0.749 680 L CB -0.210 41.703 42.059 -0.242 0.000 0.901 680 L HN 0.093 nan 8.230 nan 0.000 0.433 681 I N -0.505 120.088 120.570 0.037 0.000 2.264 681 I HA -0.323 3.847 4.170 0.000 0.000 0.248 681 I C 2.317 178.454 176.117 0.032 0.000 1.111 681 I CA 1.432 62.761 61.300 0.050 0.000 1.382 681 I CB -0.318 37.711 38.000 0.047 0.000 1.060 681 I HN 0.389 nan 8.210 nan 0.000 0.418 682 E N 0.188 120.404 120.200 0.026 0.000 2.118 682 E HA -0.235 4.115 4.350 0.000 0.000 0.195 682 E C 2.136 178.813 176.600 0.129 0.000 0.992 682 E CA 2.013 58.448 56.400 0.058 0.000 0.804 682 E CB -0.182 29.540 29.700 0.036 0.000 0.741 682 E HN 0.615 nan 8.360 nan 0.000 0.458 683 T N -0.590 114.026 114.554 0.103 0.000 2.915 683 T HA -0.061 4.289 4.350 0.000 0.000 0.269 683 T C 1.923 176.793 174.700 0.284 0.000 1.071 683 T CA 0.590 62.795 62.100 0.174 0.000 1.132 683 T CB -0.222 68.692 68.868 0.076 0.000 0.878 683 T HN 0.064 nan 8.240 nan 0.000 0.479 684 L N 0.436 121.775 121.223 0.194 0.000 2.109 684 L HA 0.047 4.387 4.340 0.000 0.000 0.207 684 L C 2.910 179.919 176.870 0.231 0.000 1.086 684 L CA 0.545 55.505 54.840 0.200 0.000 0.760 684 L CB -0.628 41.511 42.059 0.134 0.000 0.910 684 L HN 0.174 nan 8.230 nan 0.000 0.437 685 V N -0.584 119.442 119.914 0.188 0.000 2.343 685 V HA -0.289 3.831 4.120 0.000 0.000 0.247 685 V C 2.167 178.471 176.094 0.349 0.000 1.051 685 V CA 2.033 64.487 62.300 0.257 0.000 1.036 685 V CB -0.516 31.382 31.823 0.124 0.000 0.654 685 V HN 0.639 nan 8.190 nan 0.000 0.451 686 W N 1.114 122.516 121.300 0.170 0.000 2.333 686 W HA -0.251 4.409 4.660 0.000 0.000 0.316 686 W C 2.442 179.047 176.519 0.144 0.000 1.215 686 W CA 2.412 59.841 57.345 0.139 0.000 1.278 686 W CB -0.511 28.999 29.460 0.084 0.000 1.154 686 W HN 0.186 nan 8.180 nan 0.000 0.486 687 A N -0.450 122.388 122.820 0.030 0.000 1.902 687 A HA -0.300 4.020 4.320 0.000 0.000 0.217 687 A C 2.165 179.627 177.584 -0.204 0.000 1.181 687 A CA 1.969 53.864 52.037 -0.236 0.000 0.623 687 A CB -1.586 17.515 19.000 0.168 0.000 0.818 687 A HN 0.630 nan 8.150 nan 0.000 0.443 688 H N 0.140 119.193 119.070 -0.028 0.000 2.293 688 H HA -0.096 4.460 4.556 0.000 0.000 0.300 688 H C 1.840 177.099 175.328 -0.115 0.000 1.082 688 H CA 1.977 58.034 56.048 0.016 0.000 1.308 688 H CB -0.162 29.753 29.762 0.255 0.000 1.375 688 H HN 0.630 nan 8.280 nan 0.000 0.495 689 E N -0.021 120.201 120.200 0.036 0.000 2.265 689 E HA -0.132 4.218 4.350 0.000 0.000 0.196 689 E C 1.565 178.006 176.600 -0.265 0.000 0.996 689 E CA 0.407 56.745 56.400 -0.103 0.000 0.832 689 E CB 0.235 29.899 29.700 -0.060 0.000 0.756 689 E HN 0.259 nan 8.360 nan 0.000 0.491 690 R N 0.356 120.578 120.500 -0.462 0.000 2.427 690 R HA 0.145 4.485 4.340 0.000 0.000 0.262 690 R C -0.014 176.078 176.300 -0.347 0.000 0.943 690 R CA 0.177 55.993 56.100 -0.474 0.000 1.081 690 R CB 0.461 30.265 30.300 -0.828 0.000 1.166 690 R HN -0.091 nan 8.270 nan 0.000 0.534 691 T N 3.594 117.959 114.554 -0.315 0.000 2.770 691 T HA 0.341 4.691 4.350 0.000 0.000 0.297 691 T C -2.570 172.003 174.700 -0.212 0.000 0.997 691 T CA -1.641 60.313 62.100 -0.242 0.000 0.949 691 T CB 2.206 70.927 68.868 -0.245 0.000 0.941 691 T HN -0.087 nan 8.240 nan 0.000 0.457 692 P HA 0.234 nan 4.420 nan 0.000 0.268 692 P C 0.983 178.216 177.300 -0.112 0.000 1.208 692 P CA -0.074 62.958 63.100 -0.113 0.000 0.777 692 P CB 0.475 32.128 31.700 -0.078 0.000 0.875 693 L N -0.391 120.776 121.223 -0.094 0.000 3.153 693 L HA -0.398 3.942 4.340 0.000 0.000 0.369 693 L C 1.982 178.793 176.870 -0.099 0.000 3.110 693 L CA 1.814 56.608 54.840 -0.077 0.000 2.423 693 L CB -2.298 39.725 42.059 -0.059 0.000 2.474 693 L HN 0.416 nan 8.230 nan 0.000 0.797 694 A N -0.364 122.363 122.820 -0.155 0.000 1.933 694 A HA -0.192 4.128 4.320 0.000 0.000 0.218 694 A C 1.663 179.077 177.584 -0.282 0.000 1.175 694 A CA 2.229 54.123 52.037 -0.239 0.000 0.628 694 A CB -0.536 18.227 19.000 -0.395 0.000 0.814 694 A HN 0.658 nan 8.150 nan 0.000 0.444 695 N N 0.252 118.792 118.700 -0.267 0.000 2.096 695 N HA -0.185 4.555 4.740 0.000 0.000 0.195 695 N C 1.541 176.995 175.510 -0.094 0.000 1.017 695 N CA 1.508 54.451 53.050 -0.177 0.000 0.870 695 N CB -0.561 37.839 38.487 -0.144 0.000 1.024 695 N HN 0.558 nan 8.380 nan 0.000 0.434 696 L N 0.215 121.392 121.223 -0.077 0.000 2.129 696 L HA -0.124 4.216 4.340 0.000 0.000 0.212 696 L C 1.045 177.889 176.870 -0.043 0.000 1.087 696 L CA 0.712 55.520 54.840 -0.054 0.000 0.757 696 L CB -0.306 41.728 42.059 -0.042 0.000 0.896 696 L HN 0.077 nan 8.230 nan 0.000 0.434 697 V N -1.377 118.533 119.914 -0.007 0.000 2.769 697 V HA 0.605 4.725 4.120 0.000 0.000 0.312 697 V C -0.522 175.536 176.094 -0.061 0.000 1.058 697 V CA -0.775 61.519 62.300 -0.011 0.000 0.952 697 V CB 1.983 33.825 31.823 0.032 0.000 1.019 697 V HN 0.275 nan 8.190 nan 0.000 0.445 698 R N 2.720 123.101 120.500 -0.197 0.000 2.740 698 R HA 0.612 4.952 4.340 0.000 0.000 0.273 698 R C -1.495 174.591 176.300 -0.357 0.000 0.998 698 R CA -0.653 55.146 56.100 -0.502 0.000 0.900 698 R CB 1.118 31.067 30.300 -0.585 0.000 1.223 698 R HN 0.915 nan 8.270 nan 0.000 0.466 699 W N 1.280 122.503 121.300 -0.128 0.000 2.158 699 W HA 0.337 4.997 4.660 0.000 0.000 0.339 699 W C 0.805 177.288 176.519 -0.061 0.000 1.294 699 W CA -0.830 56.455 57.345 -0.099 0.000 1.231 699 W CB 0.422 29.812 29.460 -0.116 0.000 1.143 699 W HN 0.712 nan 8.180 nan 0.000 0.571 700 K N 0.160 120.674 120.400 0.189 0.000 2.211 700 K HA -0.021 4.299 4.320 0.000 0.000 0.201 700 K C -0.357 176.346 176.600 0.171 0.000 1.052 700 K CA 0.705 57.063 56.287 0.119 0.000 0.973 700 K CB 0.076 32.607 32.500 0.051 0.000 0.766 700 K HN 0.537 nan 8.250 nan 0.000 0.466 701 D N 1.993 122.498 120.400 0.175 0.000 2.256 701 D HA 0.102 4.742 4.640 0.000 0.000 0.240 701 D C -0.950 175.379 176.300 0.048 0.000 1.062 701 D CA -0.345 53.710 54.000 0.093 0.000 0.832 701 D CB 1.754 42.561 40.800 0.012 0.000 1.135 701 D HN 0.015 nan 8.370 nan 0.000 0.484 702 K N 2.620 123.030 120.400 0.016 0.000 2.416 702 K HA 0.167 4.487 4.320 0.000 0.000 0.283 702 K C -2.388 174.020 176.600 -0.320 0.000 1.037 702 K CA -1.193 54.965 56.287 -0.214 0.000 0.995 702 K CB 0.184 32.661 32.500 -0.039 0.000 0.938 702 K HN 0.094 nan 8.250 nan 0.000 0.475 703 P HA -0.000 nan 4.420 nan 0.000 0.271 703 P C -0.882 176.300 177.300 -0.197 0.000 1.220 703 P CA -0.346 62.537 63.100 -0.362 0.000 0.768 703 P CB 0.805 32.200 31.700 -0.509 0.000 0.848 704 V N -0.275 119.604 119.914 -0.058 0.000 3.049 704 V HA 0.868 4.988 4.120 0.000 0.000 0.309 704 V C -0.258 175.878 176.094 0.069 0.000 1.148 704 V CA -1.692 60.609 62.300 0.001 0.000 0.990 704 V CB 1.474 33.303 31.823 0.011 0.000 1.039 704 V HN 0.588 nan 8.190 nan 0.000 0.430 705 A N 3.117 125.989 122.820 0.085 0.000 2.507 705 A HA 0.562 4.882 4.320 0.000 0.000 0.235 705 A C 0.339 177.979 177.584 0.095 0.000 1.070 705 A CA -0.303 51.806 52.037 0.120 0.000 0.768 705 A CB -0.204 18.907 19.000 0.185 0.000 1.011 705 A HN 1.053 nan 8.150 nan 0.000 0.502 706 L N 1.475 122.728 121.223 0.049 0.000 2.492 706 L HA 0.137 4.477 4.340 0.000 0.000 0.280 706 L C 1.432 178.306 176.870 0.007 0.000 1.240 706 L CA 0.049 54.871 54.840 -0.031 0.000 0.831 706 L CB 0.173 42.138 42.059 -0.156 0.000 1.100 706 L HN 0.977 nan 8.230 nan 0.000 0.505 707 S N 1.234 116.942 115.700 0.014 0.000 2.634 707 S HA 0.236 4.706 4.470 0.000 0.000 0.261 707 S C 1.131 175.690 174.600 -0.068 0.000 1.271 707 S CA -0.622 57.592 58.200 0.023 0.000 0.985 707 S CB 0.782 64.070 63.200 0.146 0.000 0.968 707 S HN 0.500 nan 8.310 nan 0.000 0.568 708 I N 0.505 121.017 120.570 -0.097 0.000 2.179 708 I HA -0.143 4.027 4.170 0.000 0.000 0.242 708 I C 2.392 178.315 176.117 -0.324 0.000 1.088 708 I CA 1.133 62.305 61.300 -0.212 0.000 1.357 708 I CB -0.546 37.333 38.000 -0.202 0.000 1.051 708 I HN 0.492 nan 8.210 nan 0.000 0.409 709 V N 0.373 120.083 119.914 -0.340 0.000 2.358 709 V HA -0.316 3.804 4.120 0.000 0.000 0.246 709 V C 2.471 178.272 176.094 -0.487 0.000 1.047 709 V CA 1.950 63.918 62.300 -0.554 0.000 1.035 709 V CB -0.736 30.664 31.823 -0.706 0.000 0.658 709 V HN 0.499 nan 8.190 nan 0.000 0.452 710 Q N 0.052 119.634 119.800 -0.363 0.000 2.077 710 Q HA -0.289 4.051 4.340 0.000 0.000 0.206 710 Q C 2.244 178.068 176.000 -0.294 0.000 0.989 710 Q CA 2.441 58.039 55.803 -0.341 0.000 0.853 710 Q CB -0.340 28.221 28.738 -0.296 0.000 0.907 710 Q HN 0.640 nan 8.270 nan 0.000 0.418 711 A N 0.712 123.390 122.820 -0.237 0.000 1.933 711 A HA -0.204 4.116 4.320 0.000 0.000 0.218 711 A C 2.028 179.538 177.584 -0.123 0.000 1.175 711 A CA 1.515 53.462 52.037 -0.151 0.000 0.628 711 A CB -0.496 18.480 19.000 -0.040 0.000 0.814 711 A HN 0.387 nan 8.150 nan 0.000 0.444 712 R N -1.222 119.150 120.500 -0.213 0.000 2.083 712 R HA -0.137 4.203 4.340 0.000 0.000 0.237 712 R C 2.141 178.473 176.300 0.054 0.000 1.137 712 R CA 1.517 57.474 56.100 -0.238 0.000 0.951 712 R CB -0.605 29.341 30.300 -0.590 0.000 0.851 712 R HN 0.494 nan 8.270 nan 0.000 0.434 713 L N 0.696 121.986 121.223 0.112 0.000 2.017 713 L HA -0.130 4.210 4.340 0.000 0.000 0.208 713 L C 2.063 178.952 176.870 0.032 0.000 1.073 713 L CA 1.628 56.585 54.840 0.195 0.000 0.745 713 L CB -0.396 41.751 42.059 0.146 0.000 0.894 713 L HN -0.078 nan 8.230 nan 0.000 0.432 714 V N 0.048 119.873 119.914 -0.149 0.000 2.358 714 V HA -0.150 3.970 4.120 0.000 0.000 0.246 714 V C 2.601 178.606 176.094 -0.147 0.000 1.047 714 V CA 1.635 63.768 62.300 -0.279 0.000 1.035 714 V CB -1.477 29.916 31.823 -0.716 0.000 0.658 714 V HN 0.624 nan 8.190 nan 0.000 0.452 715 G N 0.036 108.782 108.800 -0.090 0.000 2.433 715 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 715 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 715 G C 1.589 176.643 174.900 0.256 0.000 1.186 715 G CA 1.180 46.391 45.100 0.184 0.000 0.779 715 G HN 0.445 nan 8.290 nan 0.000 0.543 716 L N 1.434 122.776 121.223 0.199 0.000 2.079 716 L HA 0.119 4.459 4.340 0.000 0.000 0.210 716 L C 2.985 179.917 176.870 0.104 0.000 1.081 716 L CA 2.187 57.051 54.840 0.040 0.000 0.752 716 L CB -0.679 41.336 42.059 -0.073 0.000 0.896 716 L HN 0.236 nan 8.230 nan 0.000 0.433 717 A N -1.424 121.477 122.820 0.134 0.000 1.898 717 A HA -0.231 4.089 4.320 0.000 0.000 0.216 717 A C 2.088 179.763 177.584 0.151 0.000 1.181 717 A CA 1.775 53.883 52.037 0.118 0.000 0.620 717 A CB -0.936 18.095 19.000 0.052 0.000 0.819 717 A HN 0.645 nan 8.150 nan 0.000 0.442 718 H N -1.866 117.265 119.070 0.103 0.000 2.293 718 H HA -0.064 4.492 4.556 0.000 0.000 0.300 718 H C 1.727 177.195 175.328 0.234 0.000 1.082 718 H CA 1.939 58.072 56.048 0.141 0.000 1.308 718 H CB -0.502 29.360 29.762 0.166 0.000 1.375 718 H HN 0.543 nan 8.280 nan 0.000 0.495 719 F N 1.046 121.157 119.950 0.269 0.000 2.063 719 F HA -0.318 4.209 4.527 0.000 0.000 0.298 719 F C 2.477 178.478 175.800 0.334 0.000 1.109 719 F CA 1.817 59.979 58.000 0.269 0.000 1.212 719 F CB -0.320 38.771 39.000 0.151 0.000 0.973 719 F HN 0.020 nan 8.300 nan 0.000 0.480 720 S N -0.278 115.674 115.700 0.419 0.000 2.356 720 S HA -0.180 4.291 4.470 0.000 0.000 0.223 720 S C 2.129 176.880 174.600 0.252 0.000 1.032 720 S CA 1.352 59.727 58.200 0.290 0.000 1.005 720 S CB -0.661 62.670 63.200 0.219 0.000 0.867 720 S HN 0.255 nan 8.310 nan 0.000 0.449 721 V N 1.613 121.642 119.914 0.192 0.000 2.343 721 V HA -0.160 3.960 4.120 0.000 0.000 0.247 721 V C 2.579 178.766 176.094 0.155 0.000 1.051 721 V CA 2.006 64.392 62.300 0.144 0.000 1.036 721 V CB -1.413 30.456 31.823 0.078 0.000 0.654 721 V HN 0.600 nan 8.190 nan 0.000 0.451 722 G N -1.972 106.922 108.800 0.156 0.000 2.402 722 G HA2 -0.313 3.647 3.960 0.000 0.000 0.216 722 G HA3 -0.313 3.647 3.960 0.000 0.000 0.216 722 G C 1.541 176.463 174.900 0.036 0.000 1.162 722 G CA 0.974 46.132 45.100 0.096 0.000 0.777 722 G HN 0.530 nan 8.290 nan 0.000 0.539 723 Y N 1.016 121.292 120.300 -0.041 0.000 2.081 723 Y HA -0.162 4.388 4.550 0.000 0.000 0.280 723 Y C 2.613 178.480 175.900 -0.054 0.000 1.163 723 Y CA 1.787 59.804 58.100 -0.138 0.000 1.135 723 Y CB -0.089 38.352 38.460 -0.032 0.000 0.970 723 Y HN 0.179 nan 8.280 nan 0.000 0.498 724 I N -0.648 120.052 120.570 0.217 0.000 2.286 724 I HA -0.298 3.872 4.170 0.000 0.000 0.245 724 I C 2.206 178.393 176.117 0.116 0.000 1.104 724 I CA 0.953 62.296 61.300 0.072 0.000 1.397 724 I CB -0.331 37.670 38.000 0.002 0.000 1.072 724 I HN 0.230 nan 8.210 nan 0.000 0.417 725 L N -0.196 121.119 121.223 0.152 0.000 2.056 725 L HA -0.173 4.167 4.340 0.000 0.000 0.207 725 L C 2.611 179.620 176.870 0.232 0.000 1.078 725 L CA 1.407 56.383 54.840 0.226 0.000 0.749 725 L CB -0.907 41.337 42.059 0.307 0.000 0.901 725 L HN 0.248 nan 8.230 nan 0.000 0.433 726 T N -1.161 113.457 114.554 0.107 0.000 2.684 726 T HA -0.272 4.078 4.350 0.000 0.000 0.267 726 T C 1.718 176.574 174.700 0.259 0.000 1.036 726 T CA 1.629 63.767 62.100 0.063 0.000 1.148 726 T CB -0.371 68.277 68.868 -0.366 0.000 0.863 726 T HN 0.282 nan 8.240 nan 0.000 0.436 727 Y N 1.636 121.973 120.300 0.061 0.000 2.263 727 Y HA 0.126 4.676 4.550 0.000 0.000 0.292 727 Y C 2.456 178.468 175.900 0.187 0.000 1.130 727 Y CA 0.570 58.764 58.100 0.158 0.000 1.179 727 Y CB -0.610 37.926 38.460 0.127 0.000 0.998 727 Y HN 0.180 nan 8.280 nan 0.000 0.532 728 A N 0.252 123.155 122.820 0.139 0.000 1.898 728 A HA -0.095 4.225 4.320 0.000 0.000 0.216 728 A C 2.428 179.981 177.584 -0.051 0.000 1.181 728 A CA 1.759 53.814 52.037 0.031 0.000 0.620 728 A CB -1.428 17.668 19.000 0.160 0.000 0.819 728 A HN 0.532 nan 8.150 nan 0.000 0.442 729 A N -0.940 121.996 122.820 0.194 0.000 1.883 729 A HA -0.064 4.256 4.320 0.000 0.000 0.217 729 A C 2.070 179.610 177.584 -0.074 0.000 1.186 729 A CA 1.737 53.934 52.037 0.266 0.000 0.624 729 A CB -0.751 18.587 19.000 0.562 0.000 0.822 729 A HN 0.767 nan 8.150 nan 0.000 0.444 730 F N 0.309 120.127 119.950 -0.220 0.000 2.084 730 F HA -0.113 4.414 4.527 0.000 0.000 0.296 730 F C 1.859 177.346 175.800 -0.523 0.000 1.111 730 F CA 1.729 59.462 58.000 -0.445 0.000 1.224 730 F CB -0.559 38.227 39.000 -0.357 0.000 0.991 730 F HN 0.191 nan 8.300 nan 0.000 0.471 731 L N 0.551 121.284 121.223 -0.817 0.000 1.990 731 L HA -0.243 4.097 4.340 0.000 0.000 0.213 731 L C 2.244 178.646 176.870 -0.781 0.000 1.072 731 L CA 1.856 56.108 54.840 -0.980 0.000 0.755 731 L CB -0.894 40.662 42.059 -0.838 0.000 0.889 731 L HN 0.218 nan 8.230 nan 0.000 0.432 732 I N -0.156 119.953 120.570 -0.767 0.000 2.163 732 I HA -0.212 3.958 4.170 0.000 0.000 0.240 732 I C 2.683 178.260 176.117 -0.900 0.000 1.081 732 I CA 1.516 62.245 61.300 -0.953 0.000 1.353 732 I CB -1.808 35.345 38.000 -1.412 0.000 1.054 732 I HN 0.398 nan 8.210 nan 0.000 0.407 733 A N 1.092 123.401 122.820 -0.851 0.000 1.898 733 A HA -0.190 4.130 4.320 0.000 0.000 0.216 733 A C 2.551 179.871 177.584 -0.440 0.000 1.181 733 A CA 2.227 53.918 52.037 -0.577 0.000 0.620 733 A CB -0.824 17.955 19.000 -0.369 0.000 0.819 733 A HN 0.559 nan 8.150 nan 0.000 0.442 734 S N -0.763 114.611 115.700 -0.543 0.000 2.368 734 S HA -0.154 4.316 4.470 0.000 0.000 0.225 734 S C 1.823 176.259 174.600 -0.274 0.000 1.030 734 S CA 2.055 59.975 58.200 -0.466 0.000 0.999 734 S CB -1.115 61.608 63.200 -0.794 0.000 0.844 734 S HN 0.475 nan 8.310 nan 0.000 0.459 735 T N 2.235 116.641 114.554 -0.247 0.000 2.896 735 T HA 0.296 4.646 4.350 0.000 0.000 0.263 735 T C 2.219 176.835 174.700 -0.141 0.000 1.050 735 T CA 1.020 63.071 62.100 -0.082 0.000 1.140 735 T CB -0.658 68.219 68.868 0.015 0.000 0.877 735 T HN 0.604 nan 8.240 nan 0.000 0.457 736 A N 1.467 124.136 122.820 -0.251 0.000 1.969 736 A HA 0.282 4.602 4.320 0.000 0.000 0.218 736 A C 2.506 180.025 177.584 -0.107 0.000 1.169 736 A CA 1.468 53.398 52.037 -0.179 0.000 0.635 736 A CB -0.835 18.036 19.000 -0.215 0.000 0.810 736 A HN 0.483 nan 8.150 nan 0.000 0.445 737 A N -1.481 121.262 122.820 -0.129 0.000 2.168 737 A HA 0.338 4.658 4.320 0.000 0.000 0.215 737 A C 1.823 179.368 177.584 -0.067 0.000 1.152 737 A CA 2.159 54.139 52.037 -0.094 0.000 0.716 737 A CB -0.444 18.486 19.000 -0.117 0.000 0.794 737 A HN 0.701 nan 8.150 nan 0.000 0.465 738 K N -3.078 117.289 120.400 -0.055 0.000 4.110 738 K HA 0.725 5.045 4.320 0.000 0.000 0.278 738 K C 0.614 177.218 176.600 0.007 0.000 1.347 738 K CA 1.300 57.576 56.287 -0.019 0.000 1.625 738 K CB -0.591 31.905 32.500 -0.007 0.000 2.825 738 K HN 1.841 nan 8.250 nan 0.000 0.700 739 F N 0.000 119.977 119.950 0.045 0.000 2.286 739 F HA 0.000 4.527 4.527 0.000 0.000 0.279 739 F CA 0.000 58.057 58.000 0.096 0.000 1.383 739 F CB 0.000 39.066 39.000 0.111 0.000 1.145 739 F HN 0.000 nan 8.300 nan 0.000 0.574