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 2hzy_1_B DATA FIRST_RESID -1 DATA SEQUENCE GSMSFIPVAE DSDFPIQNLP YGVFSTQSNP KPRIGVAIGD QILDLSVIKH DATA SEQUENCE LFTGPALSKH QHVFDETTLN NFMGLGQAAW KEARASLQNL LSASQARLRD DATA SEQUENCE DKELRQRAFT SQASATMHLP ATIGDYTDFY SSRQHATNVG IMFRGKENAL DATA SEQUENCE LPNWLHLPVG YHGRASSIVV SGTPIRRPMG QMRPDNSKPP VYGACRLLDM DATA SEQUENCE ELEMAFFVGP GNRFGEPIPI SKAHEHIFGM VLMNDWSARD IQQWEYVPLG DATA SEQUENCE PFLGKSFGTT ISPWVVPMDA LMPFVVPNPK QDPKPLPYLC HSQPYTFDIN DATA SEQUENCE LSVSLKGEGM SQAATICRSN FKHMYWTMLQ QLTHHSVNGC NLRPGDLLAS DATA SEQUENCE GTISGSDPES FGSMLELSWK GTKAIDVGQG QTRTFLLDGD EVIITGHCQG DATA SEQUENCE DGYRVGFGQC AGKVLPAL 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 -1 G C 0.000 174.858 174.900 -0.070 0.000 0.946 -1 G CA 0.000 45.078 45.100 -0.036 0.000 0.502 0 S N -0.924 114.716 115.700 -0.100 0.000 2.548 0 S HA 0.715 5.185 4.470 0.000 0.000 0.278 0 S C -0.954 173.593 174.600 -0.089 0.000 1.150 0 S CA -0.507 57.636 58.200 -0.094 0.000 0.907 0 S CB 1.173 64.293 63.200 -0.133 0.000 1.108 0 S HN 0.666 nan 8.310 nan 0.000 0.459 1 M N 2.553 122.118 119.600 -0.058 0.000 2.530 1 M HA 0.482 4.962 4.480 0.000 0.000 0.307 1 M C -0.319 175.947 176.300 -0.057 0.000 1.161 1 M CA -0.622 54.646 55.300 -0.053 0.000 0.903 1 M CB 2.349 34.933 32.600 -0.027 0.000 1.711 1 M HN 0.615 nan 8.290 nan 0.000 0.451 2 S N 0.254 115.898 115.700 -0.094 0.000 2.654 2 S HA 0.454 4.924 4.470 0.000 0.000 0.283 2 S C 0.646 175.186 174.600 -0.101 0.000 1.180 2 S CA -0.665 57.439 58.200 -0.160 0.000 1.021 2 S CB 0.646 63.671 63.200 -0.292 0.000 1.018 2 S HN 0.564 nan 8.310 nan 0.000 0.532 3 F N 2.032 121.955 119.950 -0.045 0.000 2.365 3 F HA 0.361 4.889 4.527 0.000 0.000 0.300 3 F C 0.565 176.303 175.800 -0.103 0.000 1.090 3 F CA -0.095 57.868 58.000 -0.062 0.000 1.408 3 F CB -0.305 38.664 39.000 -0.051 0.000 1.060 3 F HN 0.226 nan 8.300 nan 0.000 0.534 4 I N 3.738 123.993 120.570 -0.526 0.000 2.471 4 I HA 0.188 4.358 4.170 0.000 0.000 0.286 4 I C -2.195 173.799 176.117 -0.205 0.000 1.079 4 I CA -2.580 58.491 61.300 -0.382 0.000 1.398 4 I CB -0.018 37.654 38.000 -0.547 0.000 1.403 4 I HN -0.094 nan 8.210 nan 0.000 0.530 5 P HA 0.156 nan 4.420 nan 0.000 0.268 5 P C -0.653 176.596 177.300 -0.084 0.000 1.204 5 P CA -0.016 63.035 63.100 -0.083 0.000 0.768 5 P CB 0.705 32.369 31.700 -0.060 0.000 0.842 6 V N 2.735 122.611 119.914 -0.063 0.000 2.525 6 V HA 0.540 4.660 4.120 0.000 0.000 0.299 6 V C 0.294 176.370 176.094 -0.030 0.000 1.034 6 V CA -1.063 61.208 62.300 -0.049 0.000 0.863 6 V CB 1.631 33.421 31.823 -0.054 0.000 0.999 6 V HN 0.685 nan 8.190 nan 0.000 0.423 7 A N 2.718 125.523 122.820 -0.025 0.000 2.445 7 A HA 0.273 4.593 4.320 0.000 0.000 0.242 7 A C 1.302 178.876 177.584 -0.017 0.000 1.075 7 A CA 0.240 52.265 52.037 -0.021 0.000 0.777 7 A CB 0.136 19.122 19.000 -0.023 0.000 1.013 7 A HN 1.028 nan 8.150 nan 0.000 0.493 8 E N 0.399 120.592 120.200 -0.012 0.000 2.114 8 E HA -0.252 4.098 4.350 0.000 0.000 0.199 8 E C 0.137 176.727 176.600 -0.018 0.000 1.008 8 E CA 1.963 58.362 56.400 -0.003 0.000 0.810 8 E CB 0.063 29.759 29.700 -0.007 0.000 0.739 8 E HN 0.731 nan 8.360 nan 0.000 0.456 9 D N -0.044 120.329 120.400 -0.046 0.000 2.340 9 D HA 0.045 4.685 4.640 0.000 0.000 0.217 9 D C -0.058 176.188 176.300 -0.090 0.000 1.081 9 D CA 0.071 54.021 54.000 -0.083 0.000 0.842 9 D CB 0.299 41.037 40.800 -0.103 0.000 0.934 9 D HN -0.048 nan 8.370 nan 0.000 0.511 10 S N 0.596 116.254 115.700 -0.070 0.000 2.558 10 S HA -0.077 4.393 4.470 0.000 0.000 0.288 10 S C 1.016 175.496 174.600 -0.200 0.000 1.318 10 S CA -0.289 57.847 58.200 -0.106 0.000 1.056 10 S CB 0.752 63.918 63.200 -0.057 0.000 0.853 10 S HN -0.033 nan 8.310 nan 0.000 0.505 11 D N 2.843 122.977 120.400 -0.443 0.000 2.310 11 D HA -0.003 4.637 4.640 0.000 0.000 0.212 11 D C 0.031 175.849 176.300 -0.803 0.000 0.965 11 D CA 1.229 54.772 54.000 -0.760 0.000 0.879 11 D CB -0.096 39.841 40.800 -1.438 0.000 0.921 11 D HN 0.636 nan 8.370 nan 0.000 0.510 12 F N 0.590 120.453 119.950 -0.145 0.000 2.627 12 F HA 0.275 4.802 4.527 0.000 0.000 0.329 12 F C -2.085 173.610 175.800 -0.174 0.000 1.378 12 F CA -1.920 55.944 58.000 -0.226 0.000 1.134 12 F CB 1.134 39.931 39.000 -0.338 0.000 1.229 12 F HN -0.207 nan 8.300 nan 0.000 0.537 13 P HA 0.109 nan 4.420 nan 0.000 0.279 13 P C 1.256 178.515 177.300 -0.068 0.000 1.282 13 P CA -0.251 62.834 63.100 -0.026 0.000 0.788 13 P CB 1.878 33.587 31.700 0.015 0.000 1.139 14 I N -0.210 120.295 120.570 -0.108 0.000 2.567 14 I HA -0.273 3.898 4.170 0.000 0.000 0.257 14 I C 1.923 177.967 176.117 -0.122 0.000 1.184 14 I CA 1.462 62.688 61.300 -0.122 0.000 1.451 14 I CB -0.135 37.790 38.000 -0.125 0.000 1.089 14 I HN 0.256 nan 8.210 nan 0.000 0.441 15 Q N 0.169 119.873 119.800 -0.160 0.000 2.364 15 Q HA -0.145 4.195 4.340 0.000 0.000 0.207 15 Q C 1.629 177.610 176.000 -0.031 0.000 0.970 15 Q CA 0.961 56.670 55.803 -0.157 0.000 0.888 15 Q CB -0.182 28.323 28.738 -0.389 0.000 0.951 15 Q HN 0.489 nan 8.270 nan 0.000 0.469 16 N N 0.290 118.970 118.700 -0.034 0.000 2.429 16 N HA 0.045 4.785 4.740 0.000 0.000 0.220 16 N C -0.357 175.091 175.510 -0.103 0.000 1.024 16 N CA 0.525 53.548 53.050 -0.044 0.000 1.105 16 N CB 0.218 38.680 38.487 -0.042 0.000 1.376 16 N HN 0.135 nan 8.380 nan 0.000 0.565 17 L N 0.375 121.506 121.223 -0.153 0.000 3.573 17 L HA -0.116 4.224 4.340 0.000 0.000 0.578 17 L C -2.464 174.170 176.870 -0.393 0.000 1.299 17 L CA -0.436 54.245 54.840 -0.265 0.000 0.914 17 L CB -1.722 40.208 42.059 -0.215 0.000 1.563 17 L HN 0.337 nan 8.230 nan 0.000 0.860 18 P HA 0.284 nan 4.420 nan 0.000 0.279 18 P C -0.868 176.362 177.300 -0.116 0.000 1.252 18 P CA -0.190 62.808 63.100 -0.169 0.000 0.811 18 P CB 0.777 32.479 31.700 0.002 0.000 1.035 19 Y N -0.170 120.350 120.300 0.366 0.000 2.342 19 Y HA 0.661 5.211 4.550 0.000 0.000 0.334 19 Y C 1.272 177.407 175.900 0.391 0.000 1.067 19 Y CA 0.193 58.539 58.100 0.411 0.000 1.128 19 Y CB 1.900 40.614 38.460 0.425 0.000 1.200 19 Y HN 0.562 nan 8.280 nan 0.000 0.464 20 G N 0.597 109.628 108.800 0.386 0.000 2.682 20 G HA2 0.594 4.554 3.960 0.000 0.000 0.290 20 G HA3 0.594 4.554 3.960 0.000 0.000 0.290 20 G C -2.163 172.728 174.900 -0.015 0.000 1.425 20 G CA -0.813 44.218 45.100 -0.115 0.000 0.807 20 G HN 0.405 nan 8.290 nan 0.000 0.482 21 V N 0.857 120.716 119.914 -0.092 0.000 2.448 21 V HA 0.752 4.872 4.120 0.000 0.000 0.295 21 V C -0.652 175.519 176.094 0.129 0.000 1.025 21 V CA -0.507 61.815 62.300 0.037 0.000 0.859 21 V CB 0.533 32.351 31.823 -0.008 0.000 0.988 21 V HN 0.795 nan 8.190 nan 0.000 0.431 22 F N 2.643 122.601 119.950 0.013 0.000 2.629 22 F HA 0.963 5.490 4.527 0.000 0.000 0.316 22 F C -0.198 175.692 175.800 0.152 0.000 1.081 22 F CA -0.640 57.397 58.000 0.061 0.000 0.954 22 F CB 1.957 40.937 39.000 -0.032 0.000 1.337 22 F HN 0.464 nan 8.300 nan 0.000 0.474 23 S N -0.106 115.673 115.700 0.131 0.000 2.697 23 S HA 0.933 5.403 4.470 0.000 0.000 0.289 23 S C -0.851 173.856 174.600 0.178 0.000 1.149 23 S CA -0.159 58.036 58.200 -0.008 0.000 0.850 23 S CB 1.650 64.916 63.200 0.109 0.000 1.151 23 S HN 1.231 nan 8.310 nan 0.000 0.491 24 T N -2.009 112.616 114.554 0.118 0.000 2.864 24 T HA 0.476 4.826 4.350 0.000 0.000 0.289 24 T C 0.530 175.283 174.700 0.087 0.000 1.082 24 T CA -0.875 61.313 62.100 0.146 0.000 1.009 24 T CB 1.239 70.213 68.868 0.177 0.000 1.234 24 T HN 0.570 nan 8.240 nan 0.000 0.526 25 Q N 0.471 120.319 119.800 0.080 0.000 2.167 25 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 25 Q C 2.379 178.407 176.000 0.047 0.000 0.970 25 Q CA 1.614 57.451 55.803 0.056 0.000 0.855 25 Q CB -0.241 28.528 28.738 0.052 0.000 0.911 25 Q HN 0.852 nan 8.270 nan 0.000 0.438 26 S N 0.189 115.921 115.700 0.054 0.000 2.461 26 S HA -0.052 4.418 4.470 0.000 0.000 0.228 26 S C 0.682 175.300 174.600 0.029 0.000 1.005 26 S CA 0.510 58.736 58.200 0.043 0.000 0.942 26 S CB 0.165 63.397 63.200 0.053 0.000 0.776 26 S HN 0.211 nan 8.310 nan 0.000 0.514 27 N N 1.087 119.801 118.700 0.024 0.000 2.629 27 N HA 0.327 5.067 4.740 0.000 0.000 0.277 27 N C -2.826 172.668 175.510 -0.026 0.000 1.188 27 N CA -1.776 51.271 53.050 -0.005 0.000 0.835 27 N CB 1.905 40.385 38.487 -0.012 0.000 1.420 27 N HN -0.086 nan 8.380 nan 0.000 0.542 28 P HA -0.013 nan 4.420 nan 0.000 0.241 28 P C -0.069 177.177 177.300 -0.091 0.000 1.191 28 P CA 0.355 63.434 63.100 -0.035 0.000 0.771 28 P CB 0.322 32.009 31.700 -0.023 0.000 0.929 29 K N 2.249 122.580 120.400 -0.115 0.000 2.383 29 K HA 0.189 4.509 4.320 0.000 0.000 0.286 29 K C -2.218 174.236 176.600 -0.243 0.000 1.051 29 K CA -2.034 54.158 56.287 -0.158 0.000 0.974 29 K CB 0.222 32.643 32.500 -0.132 0.000 0.968 29 K HN -0.041 nan 8.250 nan 0.000 0.475 30 P HA 0.019 nan 4.420 nan 0.000 0.268 30 P C -1.181 175.932 177.300 -0.313 0.000 1.204 30 P CA 0.158 63.039 63.100 -0.364 0.000 0.768 30 P CB 0.600 32.015 31.700 -0.475 0.000 0.842 31 R N 1.857 122.120 120.500 -0.394 0.000 2.752 31 R HA 0.608 4.948 4.340 0.000 0.000 0.271 31 R C -1.047 175.150 176.300 -0.171 0.000 1.026 31 R CA -1.111 54.799 56.100 -0.316 0.000 0.901 31 R CB 0.843 30.925 30.300 -0.363 0.000 1.243 31 R HN 0.180 nan 8.270 nan 0.000 0.463 32 I N 1.078 121.665 120.570 0.028 0.000 2.395 32 I HA 0.448 4.618 4.170 0.000 0.000 0.289 32 I C 0.421 176.783 176.117 0.409 0.000 1.023 32 I CA -0.072 61.354 61.300 0.209 0.000 1.350 32 I CB 1.668 39.770 38.000 0.170 0.000 1.409 32 I HN 0.827 nan 8.210 nan 0.000 0.507 33 G N 4.861 113.961 108.800 0.500 0.000 2.658 33 G HA2 0.706 4.667 3.960 0.000 0.000 0.292 33 G HA3 0.706 4.667 3.960 0.000 0.000 0.292 33 G C -1.568 173.533 174.900 0.335 0.000 1.320 33 G CA -0.444 44.885 45.100 0.381 0.000 0.933 33 G HN 0.319 nan 8.290 nan 0.000 0.476 34 V N 0.343 120.322 119.914 0.109 0.000 2.588 34 V HA 0.683 4.803 4.120 0.000 0.000 0.304 34 V C 0.474 176.358 176.094 -0.351 0.000 1.042 34 V CA -0.784 61.460 62.300 -0.093 0.000 0.877 34 V CB 1.468 33.169 31.823 -0.203 0.000 0.996 34 V HN 1.171 nan 8.190 nan 0.000 0.425 35 A N 4.976 127.274 122.820 -0.872 0.000 2.401 35 A HA 0.775 5.096 4.320 0.000 0.000 0.259 35 A C -0.705 176.482 177.584 -0.661 0.000 1.103 35 A CA 0.029 51.316 52.037 -1.250 0.000 0.789 35 A CB 0.231 17.624 19.000 -2.678 0.000 1.035 35 A HN 0.919 nan 8.150 nan 0.000 0.491 36 I N 2.004 122.315 120.570 -0.431 0.000 2.586 36 I HA 0.579 4.750 4.170 0.000 0.000 0.288 36 I C 0.645 176.661 176.117 -0.167 0.000 1.147 36 I CA 1.182 62.347 61.300 -0.225 0.000 1.047 36 I CB 1.236 39.131 38.000 -0.175 0.000 1.244 36 I HN 1.638 nan 8.210 nan 0.000 0.429 37 G N 6.487 115.245 108.800 -0.071 0.000 2.651 37 G HA2 -0.365 3.595 3.960 0.000 0.000 0.315 37 G HA3 -0.365 3.595 3.960 0.000 0.000 0.315 37 G C 0.333 175.233 174.900 0.001 0.000 1.258 37 G CA 0.886 45.965 45.100 -0.035 0.000 1.002 37 G HN 1.172 nan 8.290 nan 0.000 0.551 38 D N 0.625 121.001 120.400 -0.041 0.000 2.388 38 D HA 0.263 4.903 4.640 0.000 0.000 0.221 38 D C 0.798 177.055 176.300 -0.071 0.000 1.133 38 D CA 0.411 54.397 54.000 -0.023 0.000 0.831 38 D CB 0.195 40.994 40.800 -0.001 0.000 0.962 38 D HN 0.457 nan 8.370 nan 0.000 0.502 39 Q N 0.070 119.799 119.800 -0.118 0.000 2.240 39 Q HA 0.549 4.889 4.340 0.000 0.000 0.260 39 Q C -0.150 175.770 176.000 -0.134 0.000 1.018 39 Q CA -0.699 55.055 55.803 -0.082 0.000 0.898 39 Q CB 2.587 31.284 28.738 -0.068 0.000 1.301 39 Q HN 0.196 nan 8.270 nan 0.000 0.469 40 I N 1.646 122.169 120.570 -0.077 0.000 2.465 40 I HA 0.234 4.404 4.170 0.000 0.000 0.291 40 I C -0.740 175.321 176.117 -0.092 0.000 1.014 40 I CA -1.047 60.135 61.300 -0.196 0.000 1.093 40 I CB 1.810 39.520 38.000 -0.483 0.000 1.267 40 I HN 0.280 nan 8.210 nan 0.000 0.431 41 L N 6.198 127.332 121.223 -0.147 0.000 2.260 41 L HA 0.351 4.691 4.340 0.000 0.000 0.289 41 L C -0.118 176.652 176.870 -0.168 0.000 1.057 41 L CA 0.114 54.755 54.840 -0.332 0.000 0.811 41 L CB 0.671 42.521 42.059 -0.348 0.000 1.184 41 L HN 0.442 nan 8.230 nan 0.000 0.429 42 D N 4.813 125.148 120.400 -0.107 0.000 2.352 42 D HA 0.067 4.707 4.640 0.000 0.000 0.245 42 D C 1.105 177.426 176.300 0.035 0.000 1.224 42 D CA 0.080 54.161 54.000 0.135 0.000 0.879 42 D CB 0.757 41.687 40.800 0.216 0.000 1.057 42 D HN 0.664 nan 8.370 nan 0.000 0.491 43 L N 2.895 124.169 121.223 0.086 0.000 2.201 43 L HA -0.162 4.179 4.340 0.000 0.000 0.212 43 L C 2.440 179.333 176.870 0.039 0.000 1.105 43 L CA 0.840 55.695 54.840 0.025 0.000 0.775 43 L CB -0.544 41.532 42.059 0.028 0.000 0.913 43 L HN 0.393 nan 8.230 nan 0.000 0.440 44 S N -0.498 115.239 115.700 0.062 0.000 2.399 44 S HA -0.122 4.348 4.470 0.000 0.000 0.231 44 S C 1.847 176.430 174.600 -0.029 0.000 1.022 44 S CA 1.082 59.293 58.200 0.019 0.000 0.983 44 S CB -0.620 62.572 63.200 -0.013 0.000 0.803 44 S HN 0.199 nan 8.310 nan 0.000 0.480 45 V N 2.433 122.330 119.914 -0.030 0.000 2.488 45 V HA 0.077 4.197 4.120 0.000 0.000 0.246 45 V C 2.130 178.171 176.094 -0.089 0.000 1.046 45 V CA 1.577 63.847 62.300 -0.049 0.000 1.053 45 V CB -0.744 31.054 31.823 -0.042 0.000 0.679 45 V HN 0.805 nan 8.190 nan 0.000 0.458 46 I N -1.145 119.346 120.570 -0.133 0.000 3.904 46 I HA 0.166 4.336 4.170 0.000 0.000 0.333 46 I C 1.920 177.888 176.117 -0.249 0.000 1.361 46 I CA 0.108 61.287 61.300 -0.202 0.000 1.116 46 I CB -0.473 37.355 38.000 -0.287 0.000 1.028 46 I HN 0.227 nan 8.210 nan 0.000 0.398 47 K N 0.206 120.518 120.400 -0.146 0.000 2.152 47 K HA -0.179 4.141 4.320 0.000 0.000 0.206 47 K C 1.348 177.969 176.600 0.035 0.000 1.048 47 K CA 1.455 57.755 56.287 0.022 0.000 0.933 47 K CB -0.656 31.892 32.500 0.080 0.000 0.721 47 K HN 0.415 nan 8.250 nan 0.000 0.447 48 H N 0.856 119.957 119.070 0.052 0.000 2.545 48 H HA 0.068 4.624 4.556 0.000 0.000 0.282 48 H C 1.750 177.066 175.328 -0.020 0.000 1.020 48 H CA 0.745 56.821 56.048 0.046 0.000 1.243 48 H CB 0.009 29.787 29.762 0.027 0.000 1.377 48 H HN 0.227 nan 8.280 nan 0.000 0.581 49 L N -0.242 120.934 121.223 -0.079 0.000 2.552 49 L HA 0.020 4.360 4.340 0.000 0.000 0.227 49 L C 0.185 176.910 176.870 -0.242 0.000 1.146 49 L CA 0.153 54.873 54.840 -0.200 0.000 0.858 49 L CB -0.250 41.610 42.059 -0.331 0.000 0.969 49 L HN 0.029 nan 8.230 nan 0.000 0.451 50 F N 0.437 120.407 119.950 0.033 0.000 2.515 50 F HA 0.063 4.590 4.527 0.000 0.000 0.353 50 F C 1.561 177.431 175.800 0.117 0.000 1.213 50 F CA -0.422 57.618 58.000 0.067 0.000 1.194 50 F CB 0.360 39.412 39.000 0.087 0.000 1.488 50 F HN -0.050 nan 8.300 nan 0.000 0.619 51 T N -1.628 113.059 114.554 0.222 0.000 3.086 51 T HA 0.239 4.589 4.350 0.000 0.000 0.250 51 T C 1.107 175.902 174.700 0.158 0.000 1.074 51 T CA -0.090 62.110 62.100 0.167 0.000 0.988 51 T CB 0.008 68.937 68.868 0.102 0.000 0.988 51 T HN 0.443 nan 8.240 nan 0.000 0.530 52 G N 2.491 111.403 108.800 0.187 0.000 2.651 52 G HA2 0.420 4.380 3.960 0.000 0.000 0.260 52 G HA3 0.420 4.380 3.960 0.000 0.000 0.260 52 G C -1.249 173.740 174.900 0.149 0.000 1.216 52 G CA -1.260 43.934 45.100 0.156 0.000 0.913 52 G HN 0.061 nan 8.290 nan 0.000 0.535 53 P HA -0.062 nan 4.420 nan 0.000 0.219 53 P C 1.728 179.103 177.300 0.124 0.000 1.150 53 P CA 1.724 64.887 63.100 0.105 0.000 0.814 53 P CB 0.148 31.894 31.700 0.077 0.000 0.787 54 A N -0.667 122.226 122.820 0.122 0.000 1.970 54 A HA 0.008 4.329 4.320 0.000 0.000 0.216 54 A C 2.183 179.876 177.584 0.182 0.000 1.170 54 A CA 1.064 53.165 52.037 0.107 0.000 0.645 54 A CB -1.138 17.895 19.000 0.056 0.000 0.816 54 A HN 0.158 nan 8.150 nan 0.000 0.447 55 L N -0.475 120.884 121.223 0.227 0.000 2.575 55 L HA 0.011 4.351 4.340 0.000 0.000 0.228 55 L C 2.582 179.630 176.870 0.297 0.000 1.075 55 L CA 0.825 55.838 54.840 0.289 0.000 0.867 55 L CB -0.041 42.205 42.059 0.310 0.000 1.097 55 L HN 0.462 nan 8.230 nan 0.000 0.485 56 S N 0.053 115.896 115.700 0.239 0.000 2.400 56 S HA -0.137 4.333 4.470 0.000 0.000 0.232 56 S C 1.635 176.314 174.600 0.133 0.000 1.025 56 S CA 0.910 59.227 58.200 0.194 0.000 0.993 56 S CB -0.214 63.073 63.200 0.145 0.000 0.808 56 S HN 0.266 nan 8.310 nan 0.000 0.478 57 K N 0.643 121.080 120.400 0.061 0.000 2.387 57 K HA 0.194 4.514 4.320 0.000 0.000 0.198 57 K C 0.172 176.564 176.600 -0.346 0.000 1.022 57 K CA 0.203 56.408 56.287 -0.136 0.000 1.128 57 K CB -0.054 32.312 32.500 -0.223 0.000 0.853 57 K HN 0.625 nan 8.250 nan 0.000 0.523 58 H N -0.204 118.920 119.070 0.090 0.000 2.649 58 H HA 0.201 4.757 4.556 0.000 0.000 0.258 58 H C 0.726 176.082 175.328 0.046 0.000 1.165 58 H CA -0.079 55.998 56.048 0.050 0.000 1.006 58 H CB 0.774 30.542 29.762 0.010 0.000 1.743 58 H HN 0.189 nan 8.280 nan 0.000 0.609 59 Q N -0.087 119.842 119.800 0.215 0.000 2.291 59 Q HA -0.133 4.207 4.340 0.000 0.000 0.206 59 Q C 1.793 177.904 176.000 0.185 0.000 0.976 59 Q CA 0.735 56.714 55.803 0.293 0.000 0.875 59 Q CB 0.109 29.037 28.738 0.316 0.000 0.927 59 Q HN 0.539 nan 8.270 nan 0.000 0.450 60 H N 0.387 119.483 119.070 0.042 0.000 2.518 60 H HA -0.091 4.465 4.556 0.000 0.000 0.289 60 H C 1.885 177.165 175.328 -0.080 0.000 1.051 60 H CA 1.323 57.371 56.048 0.000 0.000 1.280 60 H CB 0.409 30.170 29.762 -0.001 0.000 1.380 60 H HN 0.270 nan 8.280 nan 0.000 0.566 61 V N -1.807 117.986 119.914 -0.202 0.000 2.720 61 V HA -0.174 3.946 4.120 0.000 0.000 0.256 61 V C 1.739 177.530 176.094 -0.506 0.000 1.082 61 V CA 1.366 63.444 62.300 -0.370 0.000 1.101 61 V CB -1.274 30.288 31.823 -0.435 0.000 0.693 61 V HN 0.162 nan 8.190 nan 0.000 0.479 62 F N 0.403 120.257 119.950 -0.159 0.000 2.811 62 F HA 0.240 4.768 4.527 0.000 0.000 0.301 62 F C 1.762 177.455 175.800 -0.179 0.000 1.151 62 F CA 0.685 58.580 58.000 -0.175 0.000 1.412 62 F CB -0.110 38.820 39.000 -0.117 0.000 1.113 62 F HN 0.209 nan 8.300 nan 0.000 0.579 63 D N -0.517 119.769 120.400 -0.190 0.000 2.369 63 D HA 0.012 4.652 4.640 0.000 0.000 0.211 63 D C 0.869 176.994 176.300 -0.292 0.000 1.077 63 D CA 0.322 54.155 54.000 -0.279 0.000 0.842 63 D CB 0.163 40.656 40.800 -0.511 0.000 0.947 63 D HN 0.033 nan 8.370 nan 0.000 0.509 64 E N -0.523 119.521 120.200 -0.261 0.000 2.371 64 E HA 0.073 4.423 4.350 0.000 0.000 0.257 64 E C 1.266 177.782 176.600 -0.139 0.000 1.134 64 E CA 0.232 56.522 56.400 -0.185 0.000 0.919 64 E CB 0.743 30.353 29.700 -0.150 0.000 1.025 64 E HN 0.099 nan 8.360 nan 0.000 0.438 65 T N -3.146 111.334 114.554 -0.125 0.000 3.129 65 T HA 0.045 4.395 4.350 0.000 0.000 0.251 65 T C 0.762 175.386 174.700 -0.126 0.000 1.117 65 T CA 0.259 62.277 62.100 -0.137 0.000 1.034 65 T CB -0.200 68.584 68.868 -0.140 0.000 0.968 65 T HN 0.470 nan 8.240 nan 0.000 0.526 66 T N -1.544 112.942 114.554 -0.113 0.000 2.864 66 T HA 0.602 4.952 4.350 0.000 0.000 0.299 66 T C 0.389 175.012 174.700 -0.128 0.000 1.166 66 T CA -1.012 61.017 62.100 -0.117 0.000 1.007 66 T CB 1.304 70.103 68.868 -0.115 0.000 1.219 66 T HN -0.002 nan 8.240 nan 0.000 0.506 67 L N 1.090 122.209 121.223 -0.173 0.000 2.599 67 L HA 0.156 4.496 4.340 0.000 0.000 0.230 67 L C 1.839 178.556 176.870 -0.254 0.000 1.141 67 L CA 0.067 54.786 54.840 -0.202 0.000 0.877 67 L CB -0.741 41.144 42.059 -0.290 0.000 1.009 67 L HN 0.623 nan 8.230 nan 0.000 0.447 68 N N 0.477 119.052 118.700 -0.210 0.000 2.069 68 N HA -0.194 4.546 4.740 0.000 0.000 0.191 68 N C 1.538 176.964 175.510 -0.140 0.000 1.031 68 N CA 1.400 54.341 53.050 -0.181 0.000 0.852 68 N CB -0.187 38.234 38.487 -0.110 0.000 1.018 68 N HN 0.252 nan 8.380 nan 0.000 0.423 69 N N -0.153 118.486 118.700 -0.102 0.000 2.188 69 N HA -0.089 4.652 4.740 0.000 0.000 0.184 69 N C 1.413 176.890 175.510 -0.055 0.000 1.018 69 N CA 0.454 53.462 53.050 -0.069 0.000 0.858 69 N CB -0.471 37.984 38.487 -0.052 0.000 0.989 69 N HN 0.211 nan 8.380 nan 0.000 0.426 70 F N 1.472 121.263 119.950 -0.265 0.000 2.146 70 F HA 0.021 4.548 4.527 0.000 0.000 0.298 70 F C 2.127 177.894 175.800 -0.054 0.000 1.096 70 F CA 1.044 58.893 58.000 -0.252 0.000 1.275 70 F CB -0.346 38.437 39.000 -0.362 0.000 1.008 70 F HN -0.076 nan 8.300 nan 0.000 0.480 71 M N -0.014 119.344 119.600 -0.403 0.000 2.108 71 M HA -0.150 4.330 4.480 0.000 0.000 0.261 71 M C 2.428 178.781 176.300 0.089 0.000 1.066 71 M CA 1.873 56.913 55.300 -0.434 0.000 1.107 71 M CB -1.273 30.945 32.600 -0.635 0.000 1.356 71 M HN 0.295 nan 8.290 nan 0.000 0.406 72 G N -0.103 108.684 108.800 -0.021 0.000 2.509 72 G HA2 -0.116 3.844 3.960 0.000 0.000 0.218 72 G HA3 -0.116 3.844 3.960 0.000 0.000 0.218 72 G C 1.467 176.324 174.900 -0.072 0.000 1.124 72 G CA 0.339 45.436 45.100 -0.004 0.000 0.776 72 G HN 0.346 nan 8.290 nan 0.000 0.547 73 L N 0.065 121.217 121.223 -0.117 0.000 2.201 73 L HA 0.187 4.527 4.340 0.000 0.000 0.212 73 L C 1.671 178.270 176.870 -0.451 0.000 1.105 73 L CA 0.635 55.314 54.840 -0.268 0.000 0.775 73 L CB -0.782 41.125 42.059 -0.253 0.000 0.913 73 L HN 0.454 nan 8.230 nan 0.000 0.440 74 G N -0.203 108.180 108.800 -0.695 0.000 2.710 74 G HA2 -0.270 3.690 3.960 0.000 0.000 0.668 74 G HA3 -0.270 3.690 3.960 0.000 0.000 0.668 74 G C 0.438 174.204 174.900 -1.891 0.000 1.320 74 G CA 0.073 44.432 45.100 -1.235 0.000 0.860 74 G HN 0.357 nan 8.290 nan 0.000 0.538 75 Q N -0.502 118.361 119.800 -1.562 0.000 2.124 75 Q HA 0.035 4.375 4.340 0.000 0.000 0.202 75 Q C 2.653 178.393 176.000 -0.433 0.000 0.977 75 Q CA 2.687 57.904 55.803 -0.978 0.000 0.850 75 Q CB -0.285 28.200 28.738 -0.421 0.000 0.901 75 Q HN 1.707 nan 8.270 nan 0.000 0.429 76 A N 1.622 124.230 122.820 -0.354 0.000 1.902 76 A HA -0.030 4.290 4.320 0.000 0.000 0.217 76 A C 2.441 179.968 177.584 -0.094 0.000 1.181 76 A CA 1.752 53.696 52.037 -0.155 0.000 0.623 76 A CB -0.931 17.993 19.000 -0.127 0.000 0.818 76 A HN 0.590 nan 8.150 nan 0.000 0.443 77 A N -0.991 121.714 122.820 -0.192 0.000 1.902 77 A HA -0.119 4.201 4.320 0.000 0.000 0.217 77 A C 1.995 179.697 177.584 0.198 0.000 1.181 77 A CA 1.466 53.490 52.037 -0.022 0.000 0.623 77 A CB -0.783 18.155 19.000 -0.103 0.000 0.818 77 A HN 0.748 nan 8.150 nan 0.000 0.443 78 W N 0.300 121.599 121.300 -0.000 0.000 2.381 78 W HA -0.033 4.628 4.660 0.000 0.000 0.301 78 W C 2.090 178.700 176.519 0.152 0.000 1.205 78 W CA 1.067 58.433 57.345 0.036 0.000 1.285 78 W CB -1.004 28.379 29.460 -0.128 0.000 1.133 78 W HN 0.349 nan 8.180 nan 0.000 0.521 79 K N 0.264 120.842 120.400 0.298 0.000 2.097 79 K HA -0.187 4.133 4.320 0.000 0.000 0.205 79 K C 1.918 178.649 176.600 0.218 0.000 1.050 79 K CA 1.628 58.050 56.287 0.225 0.000 0.938 79 K CB -0.359 32.227 32.500 0.143 0.000 0.718 79 K HN 0.127 nan 8.250 nan 0.000 0.442 80 E N 0.673 120.999 120.200 0.210 0.000 2.072 80 E HA -0.177 4.174 4.350 0.000 0.000 0.191 80 E C 1.955 178.730 176.600 0.291 0.000 0.985 80 E CA 0.970 57.501 56.400 0.218 0.000 0.801 80 E CB -0.015 29.799 29.700 0.190 0.000 0.750 80 E HN 0.307 nan 8.360 nan 0.000 0.452 81 A N 1.504 124.523 122.820 0.330 0.000 1.908 81 A HA -0.227 4.093 4.320 0.000 0.000 0.218 81 A C 2.200 180.027 177.584 0.405 0.000 1.181 81 A CA 1.752 53.983 52.037 0.323 0.000 0.627 81 A CB -0.595 18.611 19.000 0.344 0.000 0.818 81 A HN 0.242 nan 8.150 nan 0.000 0.445 82 R N -0.472 120.256 120.500 0.379 0.000 2.066 82 R HA -0.057 4.283 4.340 0.000 0.000 0.232 82 R C 2.302 178.724 176.300 0.203 0.000 1.131 82 R CA 1.467 57.740 56.100 0.289 0.000 0.955 82 R CB -0.438 30.015 30.300 0.255 0.000 0.851 82 R HN 0.413 nan 8.270 nan 0.000 0.432 83 A N 0.064 123.000 122.820 0.194 0.000 1.933 83 A HA -0.128 4.192 4.320 0.000 0.000 0.218 83 A C 2.196 179.866 177.584 0.144 0.000 1.175 83 A CA 1.898 54.021 52.037 0.143 0.000 0.628 83 A CB -0.543 18.535 19.000 0.130 0.000 0.814 83 A HN 0.435 nan 8.150 nan 0.000 0.444 84 S N -0.275 115.549 115.700 0.207 0.000 2.368 84 S HA -0.070 4.401 4.470 0.000 0.000 0.225 84 S C 1.809 176.472 174.600 0.106 0.000 1.030 84 S CA 1.412 59.716 58.200 0.173 0.000 0.999 84 S CB -0.401 62.983 63.200 0.306 0.000 0.844 84 S HN 0.514 nan 8.310 nan 0.000 0.459 85 L N 1.105 122.426 121.223 0.165 0.000 2.093 85 L HA -0.125 4.215 4.340 0.000 0.000 0.208 85 L C 2.666 179.559 176.870 0.037 0.000 1.085 85 L CA 1.091 55.979 54.840 0.080 0.000 0.755 85 L CB -0.471 41.651 42.059 0.105 0.000 0.904 85 L HN 0.328 nan 8.230 nan 0.000 0.435 86 Q N -0.367 119.463 119.800 0.050 0.000 2.124 86 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 86 Q C 1.911 177.927 176.000 0.027 0.000 0.977 86 Q CA 1.831 57.646 55.803 0.020 0.000 0.850 86 Q CB -0.166 28.587 28.738 0.025 0.000 0.901 86 Q HN 0.452 nan 8.270 nan 0.000 0.429 87 N N 0.592 119.318 118.700 0.043 0.000 2.080 87 N HA -0.134 4.606 4.740 0.000 0.000 0.189 87 N C 1.581 177.128 175.510 0.060 0.000 1.036 87 N CA 1.089 54.166 53.050 0.045 0.000 0.846 87 N CB -0.190 38.322 38.487 0.043 0.000 1.015 87 N HN 0.129 nan 8.380 nan 0.000 0.423 88 L N 0.004 121.256 121.223 0.049 0.000 2.079 88 L HA -0.123 4.217 4.340 0.000 0.000 0.210 88 L C 1.917 178.914 176.870 0.212 0.000 1.081 88 L CA 0.929 55.818 54.840 0.083 0.000 0.752 88 L CB -0.332 41.726 42.059 -0.001 0.000 0.896 88 L HN 0.295 nan 8.230 nan 0.000 0.433 89 L N -1.185 120.102 121.223 0.106 0.000 2.558 89 L HA 0.030 4.370 4.340 0.000 0.000 0.225 89 L C 1.373 178.234 176.870 -0.015 0.000 1.128 89 L CA -0.332 54.498 54.840 -0.017 0.000 0.868 89 L CB -0.049 41.925 42.059 -0.142 0.000 1.006 89 L HN 0.101 nan 8.230 nan 0.000 0.454 90 S N 0.104 115.863 115.700 0.099 0.000 2.560 90 S HA 0.171 4.641 4.470 0.000 0.000 0.284 90 S C 1.463 176.179 174.600 0.193 0.000 1.327 90 S CA 0.180 58.433 58.200 0.088 0.000 1.055 90 S CB 1.444 64.685 63.200 0.068 0.000 0.868 90 S HN 0.311 nan 8.310 nan 0.000 0.506 91 A N 3.741 126.635 122.820 0.124 0.000 2.024 91 A HA -0.056 4.265 4.320 0.000 0.000 0.220 91 A C 2.249 179.903 177.584 0.116 0.000 1.164 91 A CA 1.959 54.089 52.037 0.155 0.000 0.643 91 A CB -0.899 18.145 19.000 0.074 0.000 0.806 91 A HN 1.258 nan 8.150 nan 0.000 0.451 92 S N -1.793 113.955 115.700 0.079 0.000 2.575 92 S HA 0.199 4.669 4.470 0.000 0.000 0.215 92 S C 0.614 175.237 174.600 0.039 0.000 0.966 92 S CA 0.206 58.433 58.200 0.046 0.000 0.911 92 S CB -0.049 63.168 63.200 0.029 0.000 0.780 92 S HN 0.433 nan 8.310 nan 0.000 0.514 93 Q N 1.286 121.125 119.800 0.065 0.000 2.303 93 Q HA 0.749 5.089 4.340 0.000 0.000 0.257 93 Q C 0.568 176.567 176.000 -0.002 0.000 0.941 93 Q CA -0.019 55.809 55.803 0.043 0.000 0.931 93 Q CB 1.363 30.144 28.738 0.071 0.000 1.215 93 Q HN 0.200 nan 8.270 nan 0.000 0.437 94 A N 4.425 127.227 122.820 -0.031 0.000 2.016 94 A HA -0.075 4.245 4.320 0.000 0.000 0.217 94 A C 1.785 179.316 177.584 -0.089 0.000 1.162 94 A CA 1.152 53.144 52.037 -0.075 0.000 0.662 94 A CB -0.262 18.706 19.000 -0.054 0.000 0.812 94 A HN 0.755 nan 8.150 nan 0.000 0.450 95 R N -0.157 120.313 120.500 -0.050 0.000 2.094 95 R HA -0.152 4.188 4.340 0.000 0.000 0.239 95 R C 1.813 178.077 176.300 -0.061 0.000 1.137 95 R CA 2.301 58.374 56.100 -0.045 0.000 0.943 95 R CB -0.773 29.511 30.300 -0.028 0.000 0.850 95 R HN 0.435 nan 8.270 nan 0.000 0.433 96 L N 0.172 121.363 121.223 -0.053 0.000 2.221 96 L HA 0.225 4.565 4.340 0.000 0.000 0.202 96 L C 2.371 179.107 176.870 -0.224 0.000 1.074 96 L CA 1.407 56.222 54.840 -0.041 0.000 0.795 96 L CB -0.689 41.443 42.059 0.122 0.000 0.960 96 L HN 0.221 nan 8.230 nan 0.000 0.458 97 R N -0.280 119.880 120.500 -0.566 0.000 2.140 97 R HA -0.217 4.123 4.340 0.000 0.000 0.250 97 R C 0.850 176.857 176.300 -0.488 0.000 1.150 97 R CA 2.217 57.678 56.100 -1.065 0.000 0.966 97 R CB -0.236 29.532 30.300 -0.886 0.000 0.869 97 R HN 0.424 nan 8.270 nan 0.000 0.445 98 D N -0.251 119.986 120.400 -0.273 0.000 2.349 98 D HA 0.001 4.641 4.640 0.000 0.000 0.214 98 D C -0.417 175.821 176.300 -0.103 0.000 1.063 98 D CA 0.285 54.189 54.000 -0.161 0.000 0.847 98 D CB 0.137 40.867 40.800 -0.116 0.000 0.933 98 D HN 0.131 nan 8.370 nan 0.000 0.513 99 D N 1.214 121.557 120.400 -0.094 0.000 2.494 99 D HA 0.057 4.697 4.640 0.000 0.000 0.217 99 D C 1.183 177.470 176.300 -0.022 0.000 1.153 99 D CA -0.111 53.861 54.000 -0.047 0.000 0.954 99 D CB 0.441 41.221 40.800 -0.034 0.000 1.034 99 D HN -0.104 nan 8.370 nan 0.000 0.518 100 K N 1.400 121.787 120.400 -0.021 0.000 2.044 100 K HA -0.184 4.136 4.320 0.000 0.000 0.210 100 K C 1.617 178.231 176.600 0.023 0.000 1.049 100 K CA 0.978 57.264 56.287 -0.002 0.000 0.927 100 K CB 0.243 32.738 32.500 -0.008 0.000 0.713 100 K HN 0.386 nan 8.250 nan 0.000 0.443 101 E N 0.989 121.199 120.200 0.015 0.000 2.072 101 E HA -0.179 4.171 4.350 0.000 0.000 0.191 101 E C 2.080 178.698 176.600 0.031 0.000 0.985 101 E CA 0.785 57.198 56.400 0.023 0.000 0.801 101 E CB -0.034 29.674 29.700 0.014 0.000 0.750 101 E HN 0.120 nan 8.360 nan 0.000 0.452 102 L N 1.600 122.837 121.223 0.023 0.000 2.046 102 L HA -0.151 4.189 4.340 0.000 0.000 0.208 102 L C 2.493 179.394 176.870 0.053 0.000 1.077 102 L CA 1.707 56.559 54.840 0.021 0.000 0.747 102 L CB -0.396 41.664 42.059 0.001 0.000 0.896 102 L HN -0.003 nan 8.230 nan 0.000 0.432 103 R N -1.039 119.527 120.500 0.109 0.000 2.105 103 R HA -0.222 4.119 4.340 0.000 0.000 0.239 103 R C 2.335 178.786 176.300 0.251 0.000 1.135 103 R CA 1.710 57.972 56.100 0.271 0.000 0.967 103 R CB -0.387 30.077 30.300 0.273 0.000 0.861 103 R HN 0.545 nan 8.270 nan 0.000 0.442 104 Q N 0.437 120.320 119.800 0.139 0.000 2.061 104 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 104 Q C 2.006 178.067 176.000 0.102 0.000 0.984 104 Q CA 1.648 57.517 55.803 0.110 0.000 0.846 104 Q CB 0.113 28.892 28.738 0.068 0.000 0.902 104 Q HN 0.246 nan 8.270 nan 0.000 0.421 105 R N -1.194 119.349 120.500 0.071 0.000 2.127 105 R HA 0.046 4.386 4.340 0.000 0.000 0.217 105 R C 1.961 178.279 176.300 0.031 0.000 1.074 105 R CA 0.839 56.968 56.100 0.050 0.000 0.991 105 R CB 0.067 30.384 30.300 0.029 0.000 0.895 105 R HN 0.216 nan 8.270 nan 0.000 0.450 106 A N 0.028 122.840 122.820 -0.015 0.000 2.030 106 A HA 0.138 4.458 4.320 0.000 0.000 0.215 106 A C 0.411 177.827 177.584 -0.281 0.000 1.164 106 A CA 0.435 52.361 52.037 -0.187 0.000 0.697 106 A CB 0.235 19.021 19.000 -0.357 0.000 0.827 106 A HN 0.064 nan 8.150 nan 0.000 0.457 107 F N -1.309 118.665 119.950 0.041 0.000 2.492 107 F HA 0.617 5.144 4.527 0.000 0.000 0.327 107 F C 0.489 176.299 175.800 0.017 0.000 1.079 107 F CA -0.254 57.753 58.000 0.012 0.000 0.967 107 F CB 2.212 41.220 39.000 0.014 0.000 1.169 107 F HN -0.104 nan 8.300 nan 0.000 0.472 108 T N 0.496 115.168 114.554 0.197 0.000 2.868 108 T HA 0.349 4.699 4.350 0.000 0.000 0.306 108 T C -1.056 173.676 174.700 0.053 0.000 1.224 108 T CA -0.603 61.567 62.100 0.116 0.000 1.012 108 T CB 1.562 70.508 68.868 0.130 0.000 1.221 108 T HN 0.627 nan 8.240 nan 0.000 0.499 109 S N 1.620 117.348 115.700 0.046 0.000 2.565 109 S HA 0.193 4.663 4.470 0.000 0.000 0.276 109 S C 1.339 175.946 174.600 0.011 0.000 1.326 109 S CA -0.015 58.197 58.200 0.020 0.000 1.045 109 S CB 0.848 64.066 63.200 0.030 0.000 0.918 109 S HN 0.764 nan 8.310 nan 0.000 0.505 110 Q N 3.106 122.905 119.800 -0.002 0.000 2.181 110 Q HA -0.118 4.222 4.340 0.000 0.000 0.205 110 Q C 2.397 178.436 176.000 0.064 0.000 0.980 110 Q CA 1.654 57.476 55.803 0.032 0.000 0.862 110 Q CB -0.373 28.386 28.738 0.035 0.000 0.905 110 Q HN 0.915 nan 8.270 nan 0.000 0.429 111 A N 0.883 123.736 122.820 0.054 0.000 1.940 111 A HA -0.176 4.144 4.320 0.000 0.000 0.219 111 A C 2.087 179.706 177.584 0.059 0.000 1.176 111 A CA 1.801 53.873 52.037 0.058 0.000 0.631 111 A CB -0.370 18.657 19.000 0.046 0.000 0.814 111 A HN 0.419 nan 8.150 nan 0.000 0.446 112 S N -1.387 114.350 115.700 0.061 0.000 2.557 112 S HA 0.633 5.103 4.470 0.000 0.000 0.223 112 S C 0.573 175.227 174.600 0.091 0.000 0.969 112 S CA 0.205 58.446 58.200 0.068 0.000 0.927 112 S CB -0.315 62.925 63.200 0.066 0.000 0.806 112 S HN 0.792 nan 8.310 nan 0.000 0.489 113 A N 1.283 124.162 122.820 0.100 0.000 2.293 113 A HA 0.673 4.993 4.320 0.000 0.000 0.302 113 A C 0.083 177.721 177.584 0.090 0.000 1.119 113 A CA -0.444 51.683 52.037 0.149 0.000 0.823 113 A CB 0.570 19.662 19.000 0.154 0.000 1.097 113 A HN 0.297 nan 8.150 nan 0.000 0.491 114 T N 3.938 118.537 114.554 0.075 0.000 2.758 114 T HA 0.438 4.789 4.350 0.000 0.000 0.285 114 T C -0.013 174.554 174.700 -0.221 0.000 0.981 114 T CA -0.360 61.692 62.100 -0.080 0.000 0.965 114 T CB 0.442 69.252 68.868 -0.097 0.000 0.927 114 T HN 0.531 nan 8.240 nan 0.000 0.448 115 M N 3.272 122.708 119.600 -0.272 0.000 2.274 115 M HA 0.412 4.892 4.480 0.000 0.000 0.344 115 M C 0.038 176.007 176.300 -0.551 0.000 1.161 115 M CA -0.418 54.681 55.300 -0.334 0.000 1.126 115 M CB 0.411 32.833 32.600 -0.296 0.000 1.522 115 M HN 0.651 nan 8.290 nan 0.000 0.461 116 H N -0.089 118.921 119.070 -0.099 0.000 2.754 116 H HA 0.559 5.115 4.556 0.000 0.000 0.352 116 H C -0.889 174.388 175.328 -0.085 0.000 1.213 116 H CA -0.997 55.005 56.048 -0.077 0.000 1.244 116 H CB 0.956 30.673 29.762 -0.076 0.000 1.843 116 H HN 0.458 nan 8.280 nan 0.000 0.587 117 L N 3.570 124.841 121.223 0.079 0.000 2.525 117 L HA 0.022 4.363 4.340 0.000 0.000 0.278 117 L C -1.316 175.548 176.870 -0.010 0.000 1.218 117 L CA -0.891 53.969 54.840 0.034 0.000 0.878 117 L CB 0.513 42.597 42.059 0.043 0.000 1.127 117 L HN 0.630 nan 8.230 nan 0.000 0.492 118 P HA 0.059 nan 4.420 nan 0.000 0.225 118 P C -0.455 176.699 177.300 -0.244 0.000 1.156 118 P CA 0.793 63.800 63.100 -0.154 0.000 0.787 118 P CB 0.363 31.942 31.700 -0.201 0.000 0.802 119 A N -1.340 121.346 122.820 -0.223 0.000 2.587 119 A HA 0.567 4.888 4.320 0.000 0.000 0.293 119 A C -0.771 176.775 177.584 -0.062 0.000 1.087 119 A CA -0.378 51.528 52.037 -0.217 0.000 0.692 119 A CB 0.557 19.306 19.000 -0.419 0.000 1.291 119 A HN -0.175 nan 8.150 nan 0.000 0.407 120 T N 2.019 116.542 114.554 -0.051 0.000 2.727 120 T HA 0.381 4.731 4.350 0.000 0.000 0.295 120 T C 0.022 174.742 174.700 0.034 0.000 0.915 120 T CA 0.491 62.587 62.100 -0.007 0.000 1.066 120 T CB -0.661 68.194 68.868 -0.021 0.000 0.891 120 T HN 0.358 nan 8.240 nan 0.000 0.516 121 I N 3.486 124.099 120.570 0.072 0.000 2.308 121 I HA 0.209 4.379 4.170 0.000 0.000 0.293 121 I C 1.683 177.845 176.117 0.074 0.000 1.078 121 I CA -0.275 61.092 61.300 0.112 0.000 1.292 121 I CB 0.868 38.948 38.000 0.133 0.000 1.423 121 I HN 0.775 nan 8.210 nan 0.000 0.493 122 G N 5.363 114.199 108.800 0.060 0.000 2.418 122 G HA2 -0.088 3.872 3.960 0.000 0.000 0.217 122 G HA3 -0.088 3.872 3.960 0.000 0.000 0.217 122 G C 0.406 175.331 174.900 0.042 0.000 1.158 122 G CA 0.642 45.765 45.100 0.038 0.000 0.771 122 G HN 0.546 nan 8.290 nan 0.000 0.545 123 D N -2.269 118.164 120.400 0.054 0.000 2.857 123 D HA 0.352 4.992 4.640 0.000 0.000 0.227 123 D C -1.809 174.557 176.300 0.110 0.000 1.192 123 D CA -0.522 53.514 54.000 0.061 0.000 0.857 123 D CB 2.406 43.217 40.800 0.017 0.000 1.645 123 D HN 0.194 nan 8.370 nan 0.000 0.482 124 Y N 0.430 120.714 120.300 -0.025 0.000 2.376 124 Y HA 0.506 5.056 4.550 0.000 0.000 0.340 124 Y C -1.190 174.663 175.900 -0.078 0.000 0.965 124 Y CA -0.269 57.789 58.100 -0.070 0.000 1.078 124 Y CB 1.798 40.213 38.460 -0.075 0.000 1.193 124 Y HN 0.120 nan 8.280 nan 0.000 0.452 125 T N 5.293 119.610 114.554 -0.395 0.000 2.841 125 T HA 0.206 4.557 4.350 0.000 0.000 0.283 125 T C -1.778 172.455 174.700 -0.778 0.000 1.000 125 T CA -0.589 61.123 62.100 -0.646 0.000 0.977 125 T CB 1.296 70.023 68.868 -0.234 0.000 0.979 125 T HN 0.610 nan 8.240 nan 0.000 0.446 126 D N 1.398 121.144 120.400 -1.090 0.000 2.344 126 D HA 0.518 5.158 4.640 0.000 0.000 0.239 126 D C -0.627 175.347 176.300 -0.542 0.000 1.064 126 D CA -0.517 53.106 54.000 -0.630 0.000 0.829 126 D CB 0.579 40.975 40.800 -0.674 0.000 1.129 126 D HN 0.191 nan 8.370 nan 0.000 0.506 127 F N 1.836 121.771 119.950 -0.026 0.000 2.251 127 F HA 0.333 4.860 4.527 0.000 0.000 0.302 127 F C 0.365 176.345 175.800 0.300 0.000 1.143 127 F CA -0.387 57.674 58.000 0.101 0.000 1.104 127 F CB 0.504 39.572 39.000 0.113 0.000 1.516 127 F HN 0.322 nan 8.300 nan 0.000 0.511 128 Y N -0.340 120.203 120.300 0.405 0.000 2.810 128 Y HA 0.269 4.820 4.550 0.000 0.000 0.255 128 Y C 0.341 176.610 175.900 0.614 0.000 0.979 128 Y CA -0.843 57.528 58.100 0.451 0.000 1.106 128 Y CB -0.111 38.611 38.460 0.436 0.000 1.209 128 Y HN 0.360 nan 8.280 nan 0.000 0.646 129 S N -0.539 115.498 115.700 0.561 0.000 2.605 129 S HA 0.056 4.527 4.470 0.000 0.000 0.217 129 S C 0.681 175.674 174.600 0.655 0.000 0.958 129 S CA 0.296 58.846 58.200 0.584 0.000 0.919 129 S CB 0.018 63.493 63.200 0.458 0.000 0.780 129 S HN 0.409 nan 8.310 nan 0.000 0.507 130 S N 1.553 117.563 115.700 0.516 0.000 2.430 130 S HA 0.324 4.795 4.470 0.000 0.000 0.289 130 S C 1.047 175.741 174.600 0.156 0.000 1.143 130 S CA -0.762 57.647 58.200 0.348 0.000 1.067 130 S CB 0.793 64.134 63.200 0.234 0.000 0.964 130 S HN 0.421 nan 8.310 nan 0.000 0.485 131 R N 2.919 123.443 120.500 0.040 0.000 2.081 131 R HA -0.130 4.210 4.340 0.000 0.000 0.235 131 R C 2.049 178.069 176.300 -0.468 0.000 1.131 131 R CA 1.860 57.611 56.100 -0.582 0.000 0.960 131 R CB -0.251 29.816 30.300 -0.388 0.000 0.856 131 R HN 0.724 nan 8.270 nan 0.000 0.436 132 Q N -0.577 119.098 119.800 -0.209 0.000 2.079 132 Q HA -0.193 4.147 4.340 0.000 0.000 0.200 132 Q C 1.798 177.650 176.000 -0.247 0.000 0.974 132 Q CA 2.148 57.833 55.803 -0.197 0.000 0.840 132 Q CB -0.271 28.425 28.738 -0.069 0.000 0.898 132 Q HN 0.541 nan 8.270 nan 0.000 0.430 133 H N -0.675 118.246 119.070 -0.247 0.000 2.353 133 H HA -0.012 4.544 4.556 0.000 0.000 0.300 133 H C 1.596 176.735 175.328 -0.314 0.000 1.090 133 H CA 2.082 57.987 56.048 -0.238 0.000 1.327 133 H CB -0.207 29.509 29.762 -0.077 0.000 1.383 133 H HN 0.307 nan 8.280 nan 0.000 0.508 134 A N -0.618 121.883 122.820 -0.531 0.000 1.898 134 A HA -0.152 4.168 4.320 0.000 0.000 0.216 134 A C 2.484 179.725 177.584 -0.572 0.000 1.181 134 A CA 1.916 53.464 52.037 -0.815 0.000 0.620 134 A CB -1.004 17.114 19.000 -1.469 0.000 0.819 134 A HN 0.568 nan 8.150 nan 0.000 0.442 135 T N 0.903 115.127 114.554 -0.549 0.000 2.674 135 T HA -0.153 4.197 4.350 0.000 0.000 0.265 135 T C 1.871 176.407 174.700 -0.274 0.000 1.039 135 T CA 1.597 63.479 62.100 -0.363 0.000 1.150 135 T CB -0.440 68.241 68.868 -0.312 0.000 0.864 135 T HN 0.502 nan 8.240 nan 0.000 0.427 136 N N 0.921 119.430 118.700 -0.318 0.000 2.084 136 N HA -0.069 4.671 4.740 0.000 0.000 0.190 136 N C 1.975 177.195 175.510 -0.484 0.000 1.030 136 N CA 0.849 53.723 53.050 -0.294 0.000 0.849 136 N CB -0.837 37.410 38.487 -0.399 0.000 1.012 136 N HN 0.213 nan 8.380 nan 0.000 0.423 137 V N 0.727 120.289 119.914 -0.587 0.000 2.427 137 V HA -0.090 4.030 4.120 0.000 0.000 0.248 137 V C 2.427 178.250 176.094 -0.450 0.000 1.051 137 V CA 1.791 63.684 62.300 -0.678 0.000 1.048 137 V CB -1.267 30.078 31.823 -0.795 0.000 0.666 137 V HN 0.331 nan 8.190 nan 0.000 0.456 138 G N 0.403 109.046 108.800 -0.262 0.000 2.491 138 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 138 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 138 G C 1.581 176.439 174.900 -0.069 0.000 1.180 138 G CA 1.295 46.334 45.100 -0.102 0.000 0.774 138 G HN 0.486 nan 8.290 nan 0.000 0.562 139 I N 0.196 120.708 120.570 -0.096 0.000 2.208 139 I HA -0.203 3.967 4.170 0.000 0.000 0.245 139 I C 2.959 179.047 176.117 -0.048 0.000 1.097 139 I CA 1.286 62.577 61.300 -0.015 0.000 1.363 139 I CB -0.149 37.909 38.000 0.097 0.000 1.051 139 I HN 0.200 nan 8.210 nan 0.000 0.413 140 M N -1.056 118.418 119.600 -0.211 0.000 2.288 140 M HA -0.080 4.400 4.480 0.000 0.000 0.266 140 M C 2.084 178.459 176.300 0.126 0.000 1.072 140 M CA 1.774 56.957 55.300 -0.196 0.000 1.132 140 M CB -0.091 32.212 32.600 -0.495 0.000 1.386 140 M HN 0.162 nan 8.290 nan 0.000 0.432 141 F N -0.788 119.088 119.950 -0.123 0.000 2.530 141 F HA 0.036 4.563 4.527 0.000 0.000 0.292 141 F C 2.241 178.057 175.800 0.027 0.000 1.109 141 F CA 0.309 58.281 58.000 -0.048 0.000 1.450 141 F CB 0.266 39.214 39.000 -0.086 0.000 1.114 141 F HN 0.046 nan 8.300 nan 0.000 0.560 142 R N -0.761 119.865 120.500 0.211 0.000 2.428 142 R HA 0.361 4.701 4.340 0.000 0.000 0.193 142 R C 0.113 176.470 176.300 0.096 0.000 0.852 142 R CA 0.462 56.654 56.100 0.152 0.000 1.055 142 R CB 1.295 31.691 30.300 0.161 0.000 1.343 142 R HN 0.206 nan 8.270 nan 0.000 0.655 143 G N 0.611 109.456 108.800 0.075 0.000 2.326 143 G HA2 -0.104 3.856 3.960 0.000 0.000 0.413 143 G HA3 -0.104 3.856 3.960 0.000 0.000 0.413 143 G C -0.602 174.328 174.900 0.050 0.000 1.444 143 G CA -0.384 44.754 45.100 0.063 0.000 1.002 143 G HN 0.005 nan 8.290 nan 0.000 0.649 144 K N -0.140 120.293 120.400 0.054 0.000 2.097 144 K HA -0.075 4.245 4.320 0.000 0.000 0.206 144 K C 1.106 177.720 176.600 0.024 0.000 1.049 144 K CA 1.646 57.958 56.287 0.040 0.000 0.933 144 K CB -0.062 32.466 32.500 0.046 0.000 0.717 144 K HN 0.526 nan 8.250 nan 0.000 0.442 145 E N 1.722 121.940 120.200 0.029 0.000 2.415 145 E HA -0.092 4.258 4.350 0.000 0.000 0.260 145 E C -0.653 175.964 176.600 0.028 0.000 1.016 145 E CA 0.379 56.795 56.400 0.026 0.000 0.924 145 E CB -0.070 29.648 29.700 0.030 0.000 0.961 145 E HN 0.256 nan 8.360 nan 0.000 0.459 146 N N 2.644 121.357 118.700 0.021 0.000 2.725 146 N HA -0.298 4.442 4.740 0.000 0.000 0.249 146 N C 0.572 176.090 175.510 0.014 0.000 1.103 146 N CA 0.770 53.835 53.050 0.026 0.000 0.707 146 N CB -1.460 37.053 38.487 0.045 0.000 1.043 146 N HN 0.555 nan 8.380 nan 0.000 0.553 147 A N -0.197 122.616 122.820 -0.012 0.000 1.917 147 A HA -0.091 4.229 4.320 0.000 0.000 0.219 147 A C 1.183 178.715 177.584 -0.088 0.000 1.182 147 A CA 1.028 53.040 52.037 -0.041 0.000 0.633 147 A CB -0.008 18.956 19.000 -0.059 0.000 0.819 147 A HN 0.288 nan 8.150 nan 0.000 0.448 148 L N 0.825 121.972 121.223 -0.127 0.000 2.283 148 L HA 0.422 4.762 4.340 0.000 0.000 0.287 148 L C -0.192 176.674 176.870 -0.006 0.000 1.073 148 L CA -0.112 54.622 54.840 -0.177 0.000 0.822 148 L CB 0.380 42.261 42.059 -0.297 0.000 1.186 148 L HN 0.307 nan 8.230 nan 0.000 0.436 149 L N 7.027 128.303 121.223 0.088 0.000 2.466 149 L HA 0.273 4.614 4.340 0.000 0.000 0.257 149 L C -0.964 176.027 176.870 0.202 0.000 1.189 149 L CA -1.332 53.597 54.840 0.150 0.000 0.813 149 L CB 0.066 42.237 42.059 0.187 0.000 1.118 149 L HN 0.502 nan 8.230 nan 0.000 0.471 150 P HA -0.147 nan 4.420 nan 0.000 0.218 150 P C 0.611 178.094 177.300 0.306 0.000 1.148 150 P CA 1.212 64.436 63.100 0.206 0.000 0.822 150 P CB -0.136 31.653 31.700 0.147 0.000 0.784 151 N N -1.808 117.063 118.700 0.285 0.000 2.463 151 N HA -0.148 4.593 4.740 0.000 0.000 0.181 151 N C 1.558 177.273 175.510 0.341 0.000 1.078 151 N CA 0.333 53.566 53.050 0.306 0.000 0.902 151 N CB -1.463 37.139 38.487 0.193 0.000 0.970 151 N HN 0.251 nan 8.380 nan 0.000 0.451 152 W N 1.055 122.461 121.300 0.177 0.000 2.388 152 W HA 0.175 4.835 4.660 0.000 0.000 0.294 152 W C 1.204 177.880 176.519 0.262 0.000 1.212 152 W CA 0.798 58.245 57.345 0.171 0.000 1.271 152 W CB 0.042 29.555 29.460 0.089 0.000 1.126 152 W HN 0.022 nan 8.180 nan 0.000 0.535 153 L N -0.247 121.219 121.223 0.405 0.000 2.599 153 L HA -0.064 4.277 4.340 0.000 0.000 0.230 153 L C 1.817 178.784 176.870 0.161 0.000 1.141 153 L CA 0.375 55.346 54.840 0.218 0.000 0.877 153 L CB -0.601 41.441 42.059 -0.030 0.000 1.009 153 L HN 0.108 nan 8.230 nan 0.000 0.447 154 H N -0.415 118.884 119.070 0.381 0.000 2.681 154 H HA 0.316 4.872 4.556 0.000 0.000 0.268 154 H C 0.025 175.425 175.328 0.120 0.000 0.967 154 H CA 0.307 56.526 56.048 0.285 0.000 1.233 154 H CB 0.879 30.742 29.762 0.168 0.000 1.445 154 H HN 0.155 nan 8.280 nan 0.000 0.494 155 L N -1.779 119.360 121.223 -0.140 0.000 2.465 155 L HA 0.535 4.875 4.340 0.000 0.000 0.257 155 L C -2.970 173.005 176.870 -1.492 0.000 0.988 155 L CA -2.464 51.866 54.840 -0.850 0.000 0.827 155 L CB 1.841 43.562 42.059 -0.563 0.000 1.397 155 L HN -0.320 nan 8.230 nan 0.000 0.410 156 P HA 0.154 nan 4.420 nan 0.000 0.273 156 P C -0.228 176.784 177.300 -0.481 0.000 1.428 156 P CA -0.088 62.132 63.100 -1.466 0.000 0.995 156 P CB 0.813 31.809 31.700 -1.172 0.000 1.286 157 V N 3.785 123.486 119.914 -0.355 0.000 2.694 157 V HA 0.363 4.483 4.120 0.000 0.000 0.306 157 V C 1.339 177.500 176.094 0.112 0.000 1.054 157 V CA 1.273 63.564 62.300 -0.014 0.000 1.161 157 V CB 0.224 32.152 31.823 0.175 0.000 0.916 157 V HN 0.815 nan 8.190 nan 0.000 0.490 158 G N 3.638 112.387 108.800 -0.085 0.000 2.649 158 G HA2 0.723 4.683 3.960 0.000 0.000 0.290 158 G HA3 0.723 4.683 3.960 0.000 0.000 0.290 158 G C -1.656 173.049 174.900 -0.324 0.000 1.426 158 G CA -0.584 44.271 45.100 -0.408 0.000 0.794 158 G HN 0.881 nan 8.290 nan 0.000 0.483 159 Y N -1.845 118.132 120.300 -0.540 0.000 2.588 159 Y HA 0.731 5.281 4.550 0.000 0.000 0.343 159 Y C -0.524 175.070 175.900 -0.509 0.000 1.065 159 Y CA -1.489 56.316 58.100 -0.491 0.000 1.038 159 Y CB 0.800 39.089 38.460 -0.285 0.000 1.297 159 Y HN 0.654 nan 8.280 nan 0.000 0.467 160 H N 1.119 120.039 119.070 -0.251 0.000 2.803 160 H HA 0.474 5.030 4.556 0.000 0.000 0.330 160 H C 0.483 175.628 175.328 -0.305 0.000 1.057 160 H CA 0.371 56.243 56.048 -0.292 0.000 1.458 160 H CB 1.055 30.765 29.762 -0.088 0.000 1.470 160 H HN 0.998 nan 8.280 nan 0.000 0.560 161 G N 1.522 110.026 108.800 -0.492 0.000 2.613 161 G HA2 0.349 4.309 3.960 0.000 0.000 0.303 161 G HA3 0.349 4.309 3.960 0.000 0.000 0.303 161 G C -0.627 174.307 174.900 0.056 0.000 1.312 161 G CA -0.949 43.937 45.100 -0.357 0.000 1.036 161 G HN 0.518 nan 8.290 nan 0.000 0.513 162 R N -0.406 120.242 120.500 0.246 0.000 2.207 162 R HA 0.544 4.884 4.340 0.000 0.000 0.334 162 R C 0.990 177.441 176.300 0.252 0.000 1.013 162 R CA 0.382 56.603 56.100 0.200 0.000 0.858 162 R CB 0.873 31.243 30.300 0.117 0.000 1.094 162 R HN 0.421 nan 8.270 nan 0.000 0.457 163 A N 2.781 125.712 122.820 0.185 0.000 1.929 163 A HA -0.099 4.222 4.320 0.000 0.000 0.216 163 A C 1.813 179.436 177.584 0.064 0.000 1.176 163 A CA 1.428 53.548 52.037 0.140 0.000 0.628 163 A CB -0.566 18.502 19.000 0.113 0.000 0.816 163 A HN 0.855 nan 8.150 nan 0.000 0.444 164 S N 0.594 116.327 115.700 0.055 0.000 2.419 164 S HA -0.123 4.347 4.470 0.000 0.000 0.233 164 S C 1.642 176.253 174.600 0.018 0.000 1.016 164 S CA 1.551 59.770 58.200 0.032 0.000 0.974 164 S CB -0.701 62.517 63.200 0.030 0.000 0.786 164 S HN 0.863 nan 8.310 nan 0.000 0.492 165 S N 0.453 116.162 115.700 0.015 0.000 2.614 165 S HA 0.417 4.888 4.470 0.000 0.000 0.230 165 S C 0.206 174.788 174.600 -0.030 0.000 0.952 165 S CA -0.746 57.451 58.200 -0.004 0.000 0.949 165 S CB -0.752 62.444 63.200 -0.007 0.000 0.786 165 S HN 0.496 nan 8.310 nan 0.000 0.478 166 I N 3.210 123.750 120.570 -0.049 0.000 2.379 166 I HA 0.275 4.445 4.170 0.000 0.000 0.290 166 I C 0.043 176.144 176.117 -0.027 0.000 1.063 166 I CA -0.591 60.655 61.300 -0.091 0.000 1.351 166 I CB 0.972 38.870 38.000 -0.170 0.000 1.410 166 I HN 0.186 nan 8.210 nan 0.000 0.505 167 V N 4.888 124.801 119.914 -0.003 0.000 2.960 167 V HA 0.556 4.676 4.120 0.000 0.000 0.315 167 V C -0.190 175.926 176.094 0.038 0.000 1.087 167 V CA -0.913 61.401 62.300 0.022 0.000 0.982 167 V CB 1.859 33.697 31.823 0.024 0.000 1.039 167 V HN 0.400 nan 8.190 nan 0.000 0.437 168 V N 2.397 122.330 119.914 0.033 0.000 2.881 168 V HA 0.336 4.457 4.120 0.000 0.000 0.303 168 V C 1.104 177.225 176.094 0.045 0.000 1.070 168 V CA 0.743 63.060 62.300 0.028 0.000 1.074 168 V CB 1.690 33.509 31.823 -0.006 0.000 1.012 168 V HN 1.374 nan 8.190 nan 0.000 0.482 169 S N 4.054 119.786 115.700 0.054 0.000 2.573 169 S HA 0.299 4.769 4.470 0.000 0.000 0.297 169 S C 1.236 175.873 174.600 0.062 0.000 1.280 169 S CA 1.009 59.257 58.200 0.079 0.000 1.061 169 S CB -0.131 63.117 63.200 0.080 0.000 0.812 169 S HN 2.300 nan 8.310 nan 0.000 0.500 170 G N 3.138 111.991 108.800 0.087 0.000 2.213 170 G HA2 -0.221 3.739 3.960 0.000 0.000 0.236 170 G HA3 -0.221 3.739 3.960 0.000 0.000 0.236 170 G C 0.222 175.152 174.900 0.050 0.000 0.991 170 G CA 0.188 45.327 45.100 0.066 0.000 0.629 170 G HN 0.934 nan 8.290 nan 0.000 0.517 171 T N 3.998 118.581 114.554 0.049 0.000 2.834 171 T HA 0.479 4.829 4.350 0.000 0.000 0.298 171 T C -1.948 172.748 174.700 -0.006 0.000 0.966 171 T CA -0.285 61.826 62.100 0.019 0.000 1.141 171 T CB 1.523 70.403 68.868 0.019 0.000 0.905 171 T HN 0.167 nan 8.240 nan 0.000 0.535 172 P HA 0.222 nan 4.420 nan 0.000 0.269 172 P C -0.650 176.569 177.300 -0.135 0.000 1.209 172 P CA -0.391 62.667 63.100 -0.070 0.000 0.776 172 P CB 0.416 32.090 31.700 -0.043 0.000 0.876 173 I N 2.490 122.913 120.570 -0.244 0.000 2.382 173 I HA 0.333 4.503 4.170 0.000 0.000 0.286 173 I C 0.702 176.698 176.117 -0.201 0.000 1.002 173 I CA -0.712 60.395 61.300 -0.322 0.000 1.135 173 I CB 1.101 38.621 38.000 -0.800 0.000 1.288 173 I HN 0.331 nan 8.210 nan 0.000 0.448 174 R N 5.301 125.741 120.500 -0.100 0.000 2.340 174 R HA 0.217 4.557 4.340 0.000 0.000 0.300 174 R C 0.448 176.675 176.300 -0.120 0.000 1.069 174 R CA -0.577 55.470 56.100 -0.087 0.000 0.984 174 R CB 0.804 31.071 30.300 -0.056 0.000 1.003 174 R HN 0.585 nan 8.270 nan 0.000 0.459 175 R N 5.965 126.378 120.500 -0.145 0.000 2.504 175 R HA 0.022 4.362 4.340 0.000 0.000 0.291 175 R C -2.071 174.065 176.300 -0.275 0.000 0.974 175 R CA -0.791 55.181 56.100 -0.213 0.000 1.077 175 R CB 0.401 30.614 30.300 -0.146 0.000 0.926 175 R HN 0.435 nan 8.270 nan 0.000 0.407 176 P HA 0.110 nan 4.420 nan 0.000 0.282 176 P C -0.474 176.652 177.300 -0.290 0.000 1.249 176 P CA -0.327 62.537 63.100 -0.393 0.000 0.806 176 P CB 1.076 32.365 31.700 -0.685 0.000 0.984 177 M N 1.329 120.807 119.600 -0.204 0.000 2.247 177 M HA 0.603 5.083 4.480 0.000 0.000 0.326 177 M C 1.011 177.217 176.300 -0.157 0.000 1.134 177 M CA 0.246 55.398 55.300 -0.247 0.000 1.136 177 M CB 0.485 32.958 32.600 -0.213 0.000 1.454 177 M HN 0.708 nan 8.290 nan 0.000 0.467 178 G N 0.692 109.369 108.800 -0.205 0.000 2.348 178 G HA2 0.221 4.181 3.960 0.000 0.000 0.296 178 G HA3 0.221 4.181 3.960 0.000 0.000 0.296 178 G C -2.039 172.893 174.900 0.052 0.000 1.258 178 G CA -0.676 44.436 45.100 0.020 0.000 0.868 178 G HN 0.613 nan 8.290 nan 0.000 0.488 179 Q N 0.259 120.158 119.800 0.164 0.000 2.256 179 Q HA 0.669 5.009 4.340 0.000 0.000 0.257 179 Q C -0.323 175.774 176.000 0.161 0.000 0.936 179 Q CA -0.768 55.156 55.803 0.202 0.000 0.903 179 Q CB 1.203 30.138 28.738 0.329 0.000 1.263 179 Q HN 0.736 nan 8.270 nan 0.000 0.440 180 M N 1.568 121.145 119.600 -0.038 0.000 2.644 180 M HA 0.492 4.972 4.480 0.000 0.000 0.273 180 M C -1.660 174.340 176.300 -0.500 0.000 1.253 180 M CA -0.808 54.383 55.300 -0.180 0.000 0.852 180 M CB 1.890 34.417 32.600 -0.123 0.000 1.708 180 M HN 0.664 nan 8.290 nan 0.000 0.471 181 R N 1.754 121.908 120.500 -0.577 0.000 2.585 181 R HA 0.418 4.758 4.340 0.000 0.000 0.278 181 R C -2.009 174.081 176.300 -0.350 0.000 1.663 181 R CA -1.126 54.575 56.100 -0.665 0.000 1.592 181 R CB 0.872 30.444 30.300 -1.214 0.000 1.200 181 R HN 0.577 nan 8.270 nan 0.000 0.611 182 P HA -0.014 nan 4.420 nan 0.000 0.225 182 P C -0.293 176.926 177.300 -0.134 0.000 1.156 182 P CA 0.725 63.728 63.100 -0.161 0.000 0.787 182 P CB 0.360 31.981 31.700 -0.133 0.000 0.802 183 D N 0.336 120.643 120.400 -0.154 0.000 2.462 183 D HA 0.049 4.689 4.640 0.000 0.000 0.245 183 D C 0.913 177.131 176.300 -0.137 0.000 1.122 183 D CA -0.493 53.437 54.000 -0.117 0.000 0.864 183 D CB 0.442 41.184 40.800 -0.097 0.000 1.098 183 D HN 0.086 nan 8.370 nan 0.000 0.541 184 N N 1.229 119.866 118.700 -0.104 0.000 2.513 184 N HA -0.142 4.598 4.740 0.000 0.000 0.187 184 N C 0.562 176.031 175.510 -0.068 0.000 1.056 184 N CA 0.347 53.344 53.050 -0.088 0.000 0.907 184 N CB 0.200 38.660 38.487 -0.045 0.000 0.954 184 N HN -0.006 nan 8.380 nan 0.000 0.445 185 S N -0.726 114.937 115.700 -0.063 0.000 2.540 185 S HA 0.181 4.652 4.470 0.000 0.000 0.218 185 S C 0.044 174.612 174.600 -0.052 0.000 0.977 185 S CA -0.207 57.967 58.200 -0.044 0.000 0.918 185 S CB 0.340 63.521 63.200 -0.032 0.000 0.806 185 S HN 0.282 nan 8.310 nan 0.000 0.496 186 K N 1.355 121.707 120.400 -0.081 0.000 2.400 186 K HA 0.481 4.801 4.320 0.000 0.000 0.246 186 K C -3.033 173.500 176.600 -0.113 0.000 0.995 186 K CA -2.403 53.835 56.287 -0.081 0.000 0.840 186 K CB 1.141 33.591 32.500 -0.083 0.000 1.293 186 K HN -0.147 nan 8.250 nan 0.000 0.445 187 P HA 0.047 nan 4.420 nan 0.000 0.271 187 P C -2.463 174.731 177.300 -0.176 0.000 1.233 187 P CA -0.823 62.222 63.100 -0.091 0.000 0.789 187 P CB -0.185 31.493 31.700 -0.036 0.000 0.951 188 P HA 0.052 nan 4.420 nan 0.000 0.272 188 P C -0.770 176.447 177.300 -0.138 0.000 1.240 188 P CA 0.065 62.965 63.100 -0.333 0.000 0.791 188 P CB 0.408 31.913 31.700 -0.324 0.000 0.978 189 V N -1.450 118.384 119.914 -0.132 0.000 3.046 189 V HA 0.569 4.689 4.120 0.000 0.000 0.316 189 V C -1.137 174.984 176.094 0.045 0.000 1.104 189 V CA -1.123 61.157 62.300 -0.033 0.000 1.006 189 V CB 1.773 33.557 31.823 -0.065 0.000 1.058 189 V HN 0.516 nan 8.190 nan 0.000 0.440 190 Y N 1.425 121.703 120.300 -0.038 0.000 2.331 190 Y HA 0.881 5.431 4.550 0.000 0.000 0.338 190 Y C 0.160 176.040 175.900 -0.034 0.000 0.992 190 Y CA 0.430 58.517 58.100 -0.021 0.000 1.121 190 Y CB 1.274 39.730 38.460 -0.007 0.000 1.184 190 Y HN 1.355 nan 8.280 nan 0.000 0.469 191 G N 2.558 110.922 108.800 -0.728 0.000 2.342 191 G HA2 0.497 4.457 3.960 0.000 0.000 0.297 191 G HA3 0.497 4.457 3.960 0.000 0.000 0.297 191 G C -1.753 172.850 174.900 -0.496 0.000 1.313 191 G CA -0.541 44.208 45.100 -0.585 0.000 0.830 191 G HN 0.911 nan 8.290 nan 0.000 0.506 192 A N -0.669 121.955 122.820 -0.326 0.000 2.477 192 A HA 0.490 4.811 4.320 0.000 0.000 0.246 192 A C 1.289 178.744 177.584 -0.215 0.000 1.078 192 A CA 0.472 52.358 52.037 -0.250 0.000 0.770 192 A CB -0.577 18.316 19.000 -0.178 0.000 1.011 192 A HN 2.377 nan 8.150 nan 0.000 0.494 193 C N 2.804 121.970 119.300 -0.223 0.000 2.563 193 C HA 0.259 4.719 4.460 0.000 0.000 0.411 193 C C 1.187 176.078 174.990 -0.165 0.000 1.386 193 C CA -0.280 58.616 59.018 -0.203 0.000 1.703 193 C CB -0.687 26.910 27.740 -0.238 0.000 2.596 193 C HN 0.918 nan 8.230 nan 0.000 0.605 194 R N 2.403 122.804 120.500 -0.165 0.000 2.335 194 R HA 0.292 4.633 4.340 0.000 0.000 0.210 194 R C -0.080 176.099 176.300 -0.203 0.000 0.892 194 R CA 0.207 56.222 56.100 -0.141 0.000 1.048 194 R CB 0.092 30.318 30.300 -0.122 0.000 1.067 194 R HN 0.747 nan 8.270 nan 0.000 0.524 195 L N 2.220 123.239 121.223 -0.340 0.000 2.637 195 L HA 0.338 4.678 4.340 0.000 0.000 0.241 195 L C -1.053 175.561 176.870 -0.426 0.000 1.398 195 L CA -0.668 53.692 54.840 -0.801 0.000 0.895 195 L CB 1.063 42.490 42.059 -1.052 0.000 1.183 195 L HN -0.035 nan 8.230 nan 0.000 0.497 196 L N 1.107 122.295 121.223 -0.058 0.000 2.290 196 L HA 0.547 4.887 4.340 0.000 0.000 0.284 196 L C -0.478 176.631 176.870 0.399 0.000 1.078 196 L CA 0.696 55.627 54.840 0.151 0.000 0.815 196 L CB 0.999 43.129 42.059 0.118 0.000 1.162 196 L HN 0.222 nan 8.230 nan 0.000 0.435 197 D N 3.313 123.984 120.400 0.451 0.000 2.581 197 D HA 0.596 5.236 4.640 0.000 0.000 0.232 197 D C -0.826 175.714 176.300 0.400 0.000 1.143 197 D CA -0.453 53.827 54.000 0.466 0.000 0.881 197 D CB 1.769 42.851 40.800 0.470 0.000 1.500 197 D HN 0.480 nan 8.370 nan 0.000 0.458 198 M N -0.210 119.517 119.600 0.212 0.000 2.705 198 M HA 0.691 5.171 4.480 0.000 0.000 0.311 198 M C -0.883 175.397 176.300 -0.034 0.000 1.214 198 M CA -0.111 55.156 55.300 -0.056 0.000 0.920 198 M CB 1.588 34.038 32.600 -0.250 0.000 1.687 198 M HN 0.082 nan 8.290 nan 0.000 0.481 199 E N 1.086 121.200 120.200 -0.143 0.000 2.260 199 E HA 0.424 4.774 4.350 0.000 0.000 0.266 199 E C -1.827 174.695 176.600 -0.129 0.000 0.887 199 E CA -0.884 55.469 56.400 -0.077 0.000 0.777 199 E CB 2.406 32.091 29.700 -0.026 0.000 1.205 199 E HN 0.771 nan 8.360 nan 0.000 0.414 200 L N 3.710 124.882 121.223 -0.085 0.000 2.433 200 L HA 0.200 4.540 4.340 0.000 0.000 0.275 200 L C -0.540 176.297 176.870 -0.055 0.000 1.128 200 L CA 0.946 55.739 54.840 -0.078 0.000 0.875 200 L CB -0.091 41.952 42.059 -0.028 0.000 1.171 200 L HN 0.505 nan 8.230 nan 0.000 0.463 201 E N 4.889 125.045 120.200 -0.073 0.000 2.445 201 E HA 0.563 4.913 4.350 0.000 0.000 0.273 201 E C -1.143 175.400 176.600 -0.096 0.000 0.961 201 E CA -0.980 55.402 56.400 -0.030 0.000 0.807 201 E CB 2.173 31.875 29.700 0.002 0.000 1.362 201 E HN 0.535 nan 8.360 nan 0.000 0.453 202 M N 0.425 119.967 119.600 -0.097 0.000 2.761 202 M HA 0.773 5.253 4.480 0.000 0.000 0.305 202 M C -1.062 175.177 176.300 -0.102 0.000 1.235 202 M CA -0.790 54.374 55.300 -0.227 0.000 0.850 202 M CB 2.333 34.600 32.600 -0.556 0.000 1.744 202 M HN 0.656 nan 8.290 nan 0.000 0.480 203 A N 1.183 123.937 122.820 -0.109 0.000 2.572 203 A HA 0.867 5.187 4.320 0.000 0.000 0.295 203 A C -1.679 175.900 177.584 -0.008 0.000 1.072 203 A CA -0.651 51.346 52.037 -0.067 0.000 0.691 203 A CB 1.292 20.183 19.000 -0.181 0.000 1.291 203 A HN 0.782 nan 8.150 nan 0.000 0.404 204 F N -0.787 119.121 119.950 -0.070 0.000 2.538 204 F HA 0.892 5.419 4.527 0.000 0.000 0.325 204 F C -1.169 174.566 175.800 -0.108 0.000 1.066 204 F CA -1.506 56.486 58.000 -0.013 0.000 0.946 204 F CB 0.968 40.038 39.000 0.118 0.000 1.199 204 F HN 0.356 nan 8.300 nan 0.000 0.473 205 F N 1.958 122.107 119.950 0.331 0.000 2.404 205 F HA 0.540 5.068 4.527 0.000 0.000 0.339 205 F C 0.075 176.076 175.800 0.335 0.000 1.105 205 F CA -1.008 57.116 58.000 0.207 0.000 1.087 205 F CB 1.720 40.798 39.000 0.131 0.000 1.143 205 F HN 0.301 nan 8.300 nan 0.000 0.491 206 V N 3.589 123.755 119.914 0.420 0.000 2.614 206 V HA 0.291 4.411 4.120 0.000 0.000 0.291 206 V C 0.800 177.091 176.094 0.328 0.000 1.049 206 V CA 0.128 62.666 62.300 0.396 0.000 1.038 206 V CB 0.861 32.839 31.823 0.258 0.000 0.980 206 V HN 0.975 nan 8.190 nan 0.000 0.481 207 G N 5.706 114.764 108.800 0.430 0.000 3.311 207 G HA2 0.277 4.237 3.960 0.000 0.000 0.169 207 G HA3 0.277 4.237 3.960 0.000 0.000 0.169 207 G C -2.453 172.630 174.900 0.306 0.000 1.852 207 G CA -0.580 44.815 45.100 0.491 0.000 1.010 207 G HN 0.607 nan 8.290 nan 0.000 0.530 208 P HA 0.211 nan 4.420 nan 0.000 0.267 208 P C 0.439 177.904 177.300 0.274 0.000 1.200 208 P CA 0.189 63.360 63.100 0.119 0.000 0.772 208 P CB 0.779 32.441 31.700 -0.064 0.000 0.855 209 G N 2.155 111.059 108.800 0.174 0.000 2.508 209 G HA2 0.247 4.207 3.960 0.000 0.000 0.278 209 G HA3 0.247 4.207 3.960 0.000 0.000 0.278 209 G C -0.403 174.588 174.900 0.152 0.000 1.389 209 G CA -0.545 44.650 45.100 0.157 0.000 1.050 209 G HN 0.665 nan 8.290 nan 0.000 0.522 210 N N -0.832 117.891 118.700 0.040 0.000 2.384 210 N HA 0.276 5.016 4.740 0.000 0.000 0.301 210 N C -0.544 174.993 175.510 0.044 0.000 1.133 210 N CA -0.748 52.313 53.050 0.020 0.000 0.853 210 N CB 1.893 40.339 38.487 -0.068 0.000 1.241 210 N HN 0.410 nan 8.380 nan 0.000 0.502 211 R N 0.120 120.649 120.500 0.049 0.000 2.643 211 R HA 0.094 4.434 4.340 0.000 0.000 0.270 211 R C -0.009 176.353 176.300 0.103 0.000 1.061 211 R CA -0.466 55.681 56.100 0.079 0.000 1.107 211 R CB 0.328 30.665 30.300 0.063 0.000 0.999 211 R HN 0.543 nan 8.270 nan 0.000 0.460 212 F N 1.649 121.593 119.950 -0.010 0.000 2.593 212 F HA 0.025 4.552 4.527 0.000 0.000 0.393 212 F C 1.297 177.089 175.800 -0.013 0.000 1.037 212 F CA 1.842 59.835 58.000 -0.012 0.000 1.195 212 F CB 0.152 39.145 39.000 -0.012 0.000 1.034 212 F HN 0.844 nan 8.300 nan 0.000 0.552 213 G N 3.965 112.451 108.800 -0.523 0.000 2.175 213 G HA2 -0.254 3.706 3.960 0.000 0.000 0.244 213 G HA3 -0.254 3.706 3.960 0.000 0.000 0.244 213 G C -0.036 174.743 174.900 -0.201 0.000 0.982 213 G CA 0.087 44.925 45.100 -0.436 0.000 0.641 213 G HN 0.638 nan 8.290 nan 0.000 0.527 214 E N 1.285 121.411 120.200 -0.124 0.000 2.207 214 E HA 0.381 4.731 4.350 0.000 0.000 0.250 214 E C -2.645 173.916 176.600 -0.065 0.000 0.890 214 E CA -1.967 54.390 56.400 -0.071 0.000 0.749 214 E CB 1.991 31.672 29.700 -0.031 0.000 1.193 214 E HN 0.167 nan 8.360 nan 0.000 0.423 215 P HA -0.003 nan 4.420 nan 0.000 0.268 215 P C -0.492 176.780 177.300 -0.048 0.000 1.208 215 P CA 0.205 63.273 63.100 -0.054 0.000 0.777 215 P CB 0.640 32.311 31.700 -0.049 0.000 0.875 216 I N 4.125 124.659 120.570 -0.059 0.000 2.297 216 I HA 0.230 4.400 4.170 0.000 0.000 0.291 216 I C -1.919 174.186 176.117 -0.020 0.000 1.033 216 I CA -2.342 58.911 61.300 -0.078 0.000 1.253 216 I CB 0.929 38.801 38.000 -0.212 0.000 1.396 216 I HN 0.181 nan 8.210 nan 0.000 0.476 217 P HA 0.102 nan 4.420 nan 0.000 0.272 217 P C 0.946 178.226 177.300 -0.033 0.000 1.223 217 P CA -0.179 62.924 63.100 0.006 0.000 0.784 217 P CB 1.251 32.955 31.700 0.007 0.000 0.923 218 I N 1.852 122.385 120.570 -0.061 0.000 2.335 218 I HA -0.290 3.880 4.170 0.000 0.000 0.251 218 I C 1.909 177.784 176.117 -0.403 0.000 1.129 218 I CA 1.950 63.142 61.300 -0.180 0.000 1.402 218 I CB -0.099 37.803 38.000 -0.164 0.000 1.069 218 I HN 0.378 nan 8.210 nan 0.000 0.424 219 S N -0.016 115.463 115.700 -0.368 0.000 2.474 219 S HA -0.128 4.342 4.470 0.000 0.000 0.235 219 S C 1.720 176.336 174.600 0.028 0.000 0.997 219 S CA 0.725 58.748 58.200 -0.296 0.000 0.949 219 S CB -0.313 62.862 63.200 -0.042 0.000 0.766 219 S HN 0.505 nan 8.310 nan 0.000 0.517 220 K N 0.436 120.839 120.400 0.006 0.000 2.358 220 K HA 0.419 4.739 4.320 0.000 0.000 0.200 220 K C 2.007 178.617 176.600 0.017 0.000 1.030 220 K CA 0.490 56.784 56.287 0.012 0.000 1.097 220 K CB 0.175 32.700 32.500 0.041 0.000 0.862 220 K HN 0.410 nan 8.250 nan 0.000 0.534 221 A N 2.423 125.258 122.820 0.025 0.000 1.933 221 A HA -0.212 4.108 4.320 0.000 0.000 0.218 221 A C 2.036 179.635 177.584 0.026 0.000 1.175 221 A CA 1.520 53.579 52.037 0.036 0.000 0.628 221 A CB -0.872 18.099 19.000 -0.047 0.000 0.814 221 A HN 0.477 nan 8.150 nan 0.000 0.444 222 H N -0.333 118.695 119.070 -0.070 0.000 2.489 222 H HA -0.056 4.500 4.556 0.000 0.000 0.295 222 H C 1.178 176.569 175.328 0.105 0.000 1.082 222 H CA 1.449 57.462 56.048 -0.059 0.000 1.295 222 H CB -0.499 29.243 29.762 -0.033 0.000 1.380 222 H HN 0.645 nan 8.280 nan 0.000 0.548 223 E N 0.343 120.238 120.200 -0.507 0.000 2.418 223 E HA -0.072 4.278 4.350 0.000 0.000 0.197 223 E C 0.878 177.339 176.600 -0.232 0.000 1.026 223 E CA 0.246 56.392 56.400 -0.423 0.000 0.862 223 E CB 0.067 29.422 29.700 -0.574 0.000 0.799 223 E HN 0.732 nan 8.360 nan 0.000 0.518 224 H N -0.548 118.572 119.070 0.083 0.000 2.672 224 H HA 0.252 4.808 4.556 0.000 0.000 0.277 224 H C 0.145 175.684 175.328 0.352 0.000 1.074 224 H CA 0.069 56.251 56.048 0.224 0.000 1.173 224 H CB 0.850 30.694 29.762 0.137 0.000 1.558 224 H HN 0.040 nan 8.280 nan 0.000 0.539 225 I N 1.159 121.971 120.570 0.404 0.000 2.328 225 I HA -0.012 4.158 4.170 0.000 0.000 0.287 225 I C 0.671 176.918 176.117 0.217 0.000 1.012 225 I CA -0.474 61.006 61.300 0.301 0.000 1.195 225 I CB 1.138 39.168 38.000 0.050 0.000 1.350 225 I HN 0.002 nan 8.210 nan 0.000 0.464 226 F N 5.987 125.901 119.950 -0.060 0.000 2.149 226 F HA 0.343 4.870 4.527 0.000 0.000 0.294 226 F C 1.148 176.759 175.800 -0.314 0.000 1.095 226 F CA 1.143 58.757 58.000 -0.644 0.000 1.276 226 F CB 0.356 39.007 39.000 -0.581 0.000 1.023 226 F HN 0.437 nan 8.300 nan 0.000 0.480 227 G N -0.258 108.596 108.800 0.089 0.000 2.322 227 G HA2 0.381 4.341 3.960 0.000 0.000 0.295 227 G HA3 0.381 4.341 3.960 0.000 0.000 0.295 227 G C -1.738 173.359 174.900 0.328 0.000 1.369 227 G CA -0.880 44.255 45.100 0.059 0.000 0.821 227 G HN 0.054 nan 8.290 nan 0.000 0.536 228 M N 0.107 119.878 119.600 0.286 0.000 2.591 228 M HA 0.714 5.194 4.480 0.000 0.000 0.306 228 M C -0.005 176.560 176.300 0.440 0.000 1.190 228 M CA -1.113 54.376 55.300 0.314 0.000 0.889 228 M CB 2.440 35.167 32.600 0.212 0.000 1.728 228 M HN 0.887 nan 8.290 nan 0.000 0.458 229 V N -0.358 119.733 119.914 0.294 0.000 3.141 229 V HA 0.676 4.796 4.120 0.000 0.000 0.312 229 V C -0.856 175.248 176.094 0.017 0.000 1.157 229 V CA -1.140 61.336 62.300 0.294 0.000 1.041 229 V CB 1.817 33.800 31.823 0.267 0.000 1.071 229 V HN 0.823 nan 8.190 nan 0.000 0.441 230 L N 2.042 123.260 121.223 -0.008 0.000 2.418 230 L HA 0.659 4.999 4.340 0.000 0.000 0.265 230 L C -0.039 176.776 176.870 -0.092 0.000 1.143 230 L CA -0.125 54.630 54.840 -0.141 0.000 0.809 230 L CB 1.310 43.297 42.059 -0.120 0.000 1.124 230 L HN 0.771 nan 8.230 nan 0.000 0.456 231 M N 2.872 122.394 119.600 -0.130 0.000 2.433 231 M HA 0.364 4.844 4.480 0.000 0.000 0.290 231 M C -1.611 174.584 176.300 -0.175 0.000 1.173 231 M CA -0.578 54.642 55.300 -0.133 0.000 0.905 231 M CB 2.203 34.723 32.600 -0.134 0.000 1.692 231 M HN 0.495 nan 8.290 nan 0.000 0.462 232 N N 2.842 121.396 118.700 -0.244 0.000 2.511 232 N HA 0.195 4.935 4.740 0.000 0.000 0.249 232 N C -1.685 173.555 175.510 -0.451 0.000 0.971 232 N CA -0.166 52.613 53.050 -0.452 0.000 0.938 232 N CB 1.140 39.157 38.487 -0.782 0.000 1.131 232 N HN 0.630 nan 8.380 nan 0.000 0.505 233 D N 3.941 124.186 120.400 -0.258 0.000 2.517 233 D HA 0.089 4.729 4.640 0.000 0.000 0.220 233 D C -0.299 175.968 176.300 -0.056 0.000 1.158 233 D CA -0.346 53.601 54.000 -0.088 0.000 0.992 233 D CB -0.274 40.556 40.800 0.050 0.000 1.058 233 D HN 0.357 nan 8.370 nan 0.000 0.516 234 W N 2.211 123.471 121.300 -0.067 0.000 2.314 234 W HA 0.141 4.801 4.660 0.000 0.000 0.339 234 W C 0.671 177.191 176.519 0.002 0.000 1.293 234 W CA -0.203 57.128 57.345 -0.024 0.000 1.288 234 W CB 0.465 29.851 29.460 -0.123 0.000 1.186 234 W HN 0.090 nan 8.180 nan 0.000 0.566 235 S N 1.369 117.388 115.700 0.532 0.000 2.541 235 S HA 0.748 5.218 4.470 0.000 0.000 0.280 235 S C -0.838 174.079 174.600 0.528 0.000 1.112 235 S CA -0.986 57.507 58.200 0.488 0.000 0.925 235 S CB 1.858 65.245 63.200 0.312 0.000 1.067 235 S HN 0.545 nan 8.310 nan 0.000 0.479 236 A N 2.500 125.578 122.820 0.430 0.000 2.394 236 A HA 0.474 4.794 4.320 0.000 0.000 0.333 236 A C 0.994 178.627 177.584 0.081 0.000 1.397 236 A CA -0.629 51.484 52.037 0.127 0.000 0.884 236 A CB 0.219 19.182 19.000 -0.061 0.000 1.147 236 A HN 0.659 nan 8.150 nan 0.000 0.505 237 R N 1.518 122.029 120.500 0.018 0.000 2.148 237 R HA -0.109 4.231 4.340 0.000 0.000 0.227 237 R C 0.864 177.126 176.300 -0.063 0.000 1.103 237 R CA 1.719 57.845 56.100 0.042 0.000 0.983 237 R CB -0.254 30.077 30.300 0.052 0.000 0.874 237 R HN 0.861 nan 8.270 nan 0.000 0.451 238 D N 0.421 120.750 120.400 -0.119 0.000 2.137 238 D HA -0.093 4.548 4.640 0.000 0.000 0.202 238 D C 2.031 178.320 176.300 -0.018 0.000 0.970 238 D CA 0.671 54.606 54.000 -0.108 0.000 0.837 238 D CB -0.647 40.067 40.800 -0.143 0.000 0.981 238 D HN 0.173 nan 8.370 nan 0.000 0.475 239 I N 0.454 121.027 120.570 0.005 0.000 2.163 239 I HA -0.295 3.875 4.170 0.000 0.000 0.243 239 I C 2.840 179.034 176.117 0.128 0.000 1.085 239 I CA 1.342 62.695 61.300 0.089 0.000 1.347 239 I CB -0.388 37.646 38.000 0.057 0.000 1.044 239 I HN 0.068 nan 8.210 nan 0.000 0.408 240 Q N 0.794 120.647 119.800 0.088 0.000 2.030 240 Q HA -0.317 4.023 4.340 0.000 0.000 0.204 240 Q C 2.309 178.337 176.000 0.046 0.000 0.986 240 Q CA 2.039 57.892 55.803 0.083 0.000 0.843 240 Q CB -0.141 28.653 28.738 0.094 0.000 0.904 240 Q HN 0.487 nan 8.270 nan 0.000 0.420 241 Q N -0.537 119.184 119.800 -0.131 0.000 2.124 241 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 241 Q C 1.755 177.860 176.000 0.175 0.000 0.977 241 Q CA 1.395 57.073 55.803 -0.209 0.000 0.850 241 Q CB -0.317 28.097 28.738 -0.540 0.000 0.901 241 Q HN 0.663 nan 8.270 nan 0.000 0.429 242 W N 1.551 122.826 121.300 -0.042 0.000 2.418 242 W HA -0.165 4.495 4.660 0.000 0.000 0.292 242 W C 1.499 178.022 176.519 0.006 0.000 1.213 242 W CA 1.555 58.885 57.345 -0.024 0.000 1.283 242 W CB 0.176 29.618 29.460 -0.030 0.000 1.119 242 W HN 0.303 nan 8.180 nan 0.000 0.542 243 E N -0.054 120.150 120.200 0.005 0.000 2.318 243 E HA -0.232 4.118 4.350 0.000 0.000 0.193 243 E C 1.861 178.398 176.600 -0.106 0.000 0.998 243 E CA 0.849 57.163 56.400 -0.143 0.000 0.859 243 E CB -1.399 28.332 29.700 0.052 0.000 0.812 243 E HN 0.526 nan 8.360 nan 0.000 0.492 244 Y N 0.723 120.948 120.300 -0.125 0.000 2.519 244 Y HA 0.274 4.824 4.550 0.000 0.000 0.287 244 Y C 0.494 176.326 175.900 -0.114 0.000 1.128 244 Y CA -0.277 57.764 58.100 -0.098 0.000 1.282 244 Y CB 0.098 38.520 38.460 -0.063 0.000 1.027 244 Y HN -0.236 nan 8.280 nan 0.000 0.551 245 V N 4.628 124.071 119.914 -0.785 0.000 2.432 245 V HA 0.181 4.301 4.120 0.000 0.000 0.275 245 V C -1.323 174.557 176.094 -0.356 0.000 1.043 245 V CA -1.145 60.779 62.300 -0.627 0.000 0.925 245 V CB 1.234 32.660 31.823 -0.661 0.000 0.985 245 V HN 0.306 nan 8.190 nan 0.000 0.466 246 P HA 0.279 nan 4.420 nan 0.000 0.275 246 P C 0.632 177.849 177.300 -0.137 0.000 1.310 246 P CA 0.135 63.116 63.100 -0.198 0.000 0.904 246 P CB 0.565 32.179 31.700 -0.143 0.000 1.381 247 L N -1.071 120.068 121.223 -0.140 0.000 2.640 247 L HA 0.435 4.775 4.340 0.000 0.000 0.230 247 L C 0.973 177.803 176.870 -0.066 0.000 1.123 247 L CA 0.336 55.113 54.840 -0.106 0.000 0.900 247 L CB -0.319 41.652 42.059 -0.147 0.000 1.146 247 L HN 0.105 nan 8.230 nan 0.000 0.484 248 G N 0.671 109.457 108.800 -0.023 0.000 2.541 248 G HA2 -0.110 3.850 3.960 0.000 0.000 0.686 248 G HA3 -0.110 3.850 3.960 0.000 0.000 0.686 248 G C -3.028 171.891 174.900 0.031 0.000 1.286 248 G CA -1.166 43.938 45.100 0.005 0.000 0.894 248 G HN -0.123 nan 8.290 nan 0.000 0.575 249 P HA 0.522 nan 4.420 nan 0.000 0.271 249 P C -0.176 177.200 177.300 0.126 0.000 1.216 249 P CA 0.107 63.167 63.100 -0.067 0.000 0.776 249 P CB 1.026 32.513 31.700 -0.355 0.000 0.881 250 F N 1.923 121.889 119.950 0.026 0.000 1.952 250 F HA 0.220 4.747 4.527 0.000 0.000 0.219 250 F C 1.516 177.392 175.800 0.126 0.000 1.272 250 F CA 0.115 58.160 58.000 0.076 0.000 1.255 250 F CB -0.620 38.410 39.000 0.050 0.000 1.971 250 F HN -0.005 nan 8.300 nan 0.000 0.130 251 L N 0.953 122.117 121.223 -0.099 0.000 2.362 251 L HA 0.037 4.377 4.340 0.000 0.000 0.219 251 L C 2.223 179.187 176.870 0.157 0.000 1.134 251 L CA 1.185 55.978 54.840 -0.078 0.000 0.807 251 L CB -1.149 40.904 42.059 -0.010 0.000 0.927 251 L HN 0.608 nan 8.230 nan 0.000 0.447 252 G N -0.461 108.451 108.800 0.187 0.000 2.559 252 G HA2 -0.138 3.823 3.960 0.000 0.000 0.216 252 G HA3 -0.138 3.823 3.960 0.000 0.000 0.216 252 G C 1.686 176.795 174.900 0.349 0.000 1.126 252 G CA 0.351 45.603 45.100 0.255 0.000 0.778 252 G HN 0.177 nan 8.290 nan 0.000 0.543 253 K N 0.085 120.624 120.400 0.233 0.000 2.474 253 K HA 0.073 4.393 4.320 0.000 0.000 0.204 253 K C 2.237 178.821 176.600 -0.026 0.000 1.220 253 K CA 0.809 57.175 56.287 0.131 0.000 0.966 253 K CB 0.509 33.132 32.500 0.205 0.000 1.049 253 K HN 0.336 nan 8.250 nan 0.000 0.554 254 S N 0.815 116.535 115.700 0.034 0.000 2.575 254 S HA -0.009 4.461 4.470 0.000 0.000 0.215 254 S C 1.632 176.221 174.600 -0.018 0.000 0.966 254 S CA -0.317 57.873 58.200 -0.016 0.000 0.911 254 S CB -0.730 62.418 63.200 -0.087 0.000 0.780 254 S HN 0.305 nan 8.310 nan 0.000 0.514 255 F N 1.059 121.020 119.950 0.018 0.000 2.661 255 F HA 0.587 5.114 4.527 0.000 0.000 0.298 255 F C 0.806 176.608 175.800 0.003 0.000 1.137 255 F CA -0.106 57.892 58.000 -0.003 0.000 1.454 255 F CB -0.567 38.423 39.000 -0.017 0.000 1.103 255 F HN 0.320 nan 8.300 nan 0.000 0.577 256 G N -0.460 108.010 108.800 -0.550 0.000 2.380 256 G HA2 0.428 4.388 3.960 0.000 0.000 0.305 256 G HA3 0.428 4.388 3.960 0.000 0.000 0.305 256 G C -1.605 173.236 174.900 -0.097 0.000 1.672 256 G CA -0.707 44.225 45.100 -0.280 0.000 0.904 256 G HN 0.076 nan 8.290 nan 0.000 0.686 257 T N 1.342 115.929 114.554 0.055 0.000 3.071 257 T HA 0.663 5.014 4.350 0.000 0.000 0.311 257 T C -0.338 174.413 174.700 0.085 0.000 1.042 257 T CA -0.420 61.732 62.100 0.087 0.000 1.028 257 T CB 1.884 70.674 68.868 -0.129 0.000 1.068 257 T HN 0.582 nan 8.240 nan 0.000 0.451 258 T N 4.007 118.650 114.554 0.148 0.000 2.859 258 T HA 0.742 5.092 4.350 0.000 0.000 0.281 258 T C 0.132 174.834 174.700 0.003 0.000 1.005 258 T CA -0.652 61.531 62.100 0.138 0.000 1.025 258 T CB 0.463 69.525 68.868 0.323 0.000 0.977 258 T HN 0.636 nan 8.240 nan 0.000 0.458 259 I N -0.369 120.208 120.570 0.012 0.000 2.740 259 I HA 0.744 4.914 4.170 0.000 0.000 0.303 259 I C 0.303 176.457 176.117 0.061 0.000 1.044 259 I CA -1.098 60.209 61.300 0.012 0.000 1.064 259 I CB 2.109 40.115 38.000 0.009 0.000 1.249 259 I HN 0.597 nan 8.210 nan 0.000 0.433 260 S N 3.454 119.206 115.700 0.087 0.000 2.585 260 S HA 0.374 4.844 4.470 0.000 0.000 0.273 260 S C -1.720 172.961 174.600 0.133 0.000 1.339 260 S CA -0.805 57.474 58.200 0.132 0.000 1.028 260 S CB 0.654 63.973 63.200 0.198 0.000 0.906 260 S HN 0.711 nan 8.310 nan 0.000 0.528 261 P HA 0.126 nan 4.420 nan 0.000 0.234 261 P C -0.487 176.738 177.300 -0.125 0.000 1.175 261 P CA 0.366 63.405 63.100 -0.101 0.000 0.801 261 P CB 0.040 31.545 31.700 -0.325 0.000 0.891 262 W N 1.048 122.436 121.300 0.147 0.000 2.332 262 W HA 0.290 4.950 4.660 0.000 0.000 0.306 262 W C -0.145 176.473 176.519 0.164 0.000 1.149 262 W CA -0.746 56.670 57.345 0.118 0.000 1.271 262 W CB 0.961 30.479 29.460 0.097 0.000 1.243 262 W HN -0.367 nan 8.180 nan 0.000 0.459 263 V N 5.874 126.055 119.914 0.445 0.000 2.372 263 V HA 0.055 4.176 4.120 0.000 0.000 0.261 263 V C 0.236 176.515 176.094 0.307 0.000 1.055 263 V CA -0.761 61.795 62.300 0.426 0.000 0.930 263 V CB 0.174 32.293 31.823 0.493 0.000 1.031 263 V HN 0.232 nan 8.190 nan 0.000 0.479 264 V N 9.441 129.431 119.914 0.127 0.000 2.427 264 V HA 0.204 4.324 4.120 0.000 0.000 0.268 264 V C -1.589 174.466 176.094 -0.064 0.000 1.046 264 V CA -1.345 60.897 62.300 -0.096 0.000 0.970 264 V CB 1.088 32.615 31.823 -0.493 0.000 1.001 264 V HN 0.721 nan 8.190 nan 0.000 0.476 265 P HA 0.135 nan 4.420 nan 0.000 0.272 265 P C 0.776 177.976 177.300 -0.167 0.000 1.223 265 P CA -0.376 62.570 63.100 -0.257 0.000 0.784 265 P CB 0.757 32.356 31.700 -0.167 0.000 0.923 266 M N 0.955 120.440 119.600 -0.191 0.000 2.202 266 M HA -0.126 4.354 4.480 0.000 0.000 0.262 266 M C 1.097 177.400 176.300 0.005 0.000 1.063 266 M CA 1.694 56.940 55.300 -0.090 0.000 1.097 266 M CB -1.696 30.913 32.600 0.014 0.000 1.382 266 M HN 0.350 nan 8.290 nan 0.000 0.413 267 D N 0.572 120.992 120.400 0.033 0.000 2.178 267 D HA -0.053 4.587 4.640 0.000 0.000 0.201 267 D C 1.961 178.307 176.300 0.077 0.000 0.980 267 D CA 1.456 55.506 54.000 0.083 0.000 0.842 267 D CB -0.116 40.745 40.800 0.102 0.000 0.948 267 D HN 0.371 nan 8.370 nan 0.000 0.472 268 A N 0.117 122.967 122.820 0.050 0.000 2.014 268 A HA -0.033 4.287 4.320 0.000 0.000 0.218 268 A C 2.207 179.912 177.584 0.201 0.000 1.163 268 A CA 0.649 52.738 52.037 0.087 0.000 0.652 268 A CB -0.377 18.634 19.000 0.018 0.000 0.808 268 A HN 0.217 nan 8.150 nan 0.000 0.449 269 L N -1.126 120.190 121.223 0.155 0.000 2.477 269 L HA 0.013 4.353 4.340 0.000 0.000 0.220 269 L C 2.192 179.315 176.870 0.422 0.000 1.106 269 L CA -0.056 54.951 54.840 0.277 0.000 0.851 269 L CB -0.269 41.723 42.059 -0.112 0.000 0.994 269 L HN 0.222 nan 8.230 nan 0.000 0.462 270 M N 0.055 119.819 119.600 0.273 0.000 2.202 270 M HA -0.104 4.376 4.480 0.000 0.000 0.262 270 M C -0.349 175.996 176.300 0.076 0.000 1.063 270 M CA 1.617 57.069 55.300 0.254 0.000 1.097 270 M CB -2.090 30.606 32.600 0.160 0.000 1.382 270 M HN 0.024 nan 8.290 nan 0.000 0.413 271 P HA -0.105 nan 4.420 nan 0.000 0.228 271 P C 0.682 177.607 177.300 -0.625 0.000 1.151 271 P CA 1.095 63.938 63.100 -0.429 0.000 0.770 271 P CB -0.212 31.106 31.700 -0.638 0.000 0.786 272 F N -2.626 117.418 119.950 0.157 0.000 2.654 272 F HA 0.169 4.696 4.527 0.000 0.000 0.303 272 F C 1.057 176.913 175.800 0.093 0.000 1.099 272 F CA -0.465 57.620 58.000 0.142 0.000 1.270 272 F CB -0.043 39.074 39.000 0.194 0.000 1.024 272 F HN -0.306 nan 8.300 nan 0.000 0.548 273 V N 2.269 122.211 119.914 0.046 0.000 2.811 273 V HA 0.467 4.588 4.120 0.000 0.000 0.302 273 V C -0.005 175.954 176.094 -0.226 0.000 1.063 273 V CA -0.290 61.797 62.300 -0.355 0.000 1.088 273 V CB 1.481 33.027 31.823 -0.461 0.000 0.982 273 V HN 0.048 nan 8.190 nan 0.000 0.485 274 V N 3.315 123.055 119.914 -0.290 0.000 3.130 274 V HA 0.723 4.843 4.120 0.000 0.000 0.310 274 V C -2.862 173.117 176.094 -0.192 0.000 1.158 274 V CA -2.631 59.563 62.300 -0.175 0.000 1.029 274 V CB 1.641 33.394 31.823 -0.116 0.000 1.057 274 V HN 0.723 nan 8.190 nan 0.000 0.436 275 P HA 0.167 nan 4.420 nan 0.000 0.267 275 P C -0.658 176.555 177.300 -0.145 0.000 1.200 275 P CA 0.137 63.158 63.100 -0.131 0.000 0.772 275 P CB 0.192 31.832 31.700 -0.101 0.000 0.855 276 N N 2.898 121.510 118.700 -0.146 0.000 2.508 276 N HA 0.161 4.901 4.740 0.000 0.000 0.264 276 N C -2.182 173.222 175.510 -0.177 0.000 1.216 276 N CA -1.007 51.944 53.050 -0.165 0.000 0.943 276 N CB -0.754 37.639 38.487 -0.157 0.000 1.113 276 N HN 0.276 nan 8.380 nan 0.000 0.447 277 P HA 0.027 nan 4.420 nan 0.000 0.267 277 P C -0.070 177.068 177.300 -0.271 0.000 1.200 277 P CA 0.119 63.092 63.100 -0.210 0.000 0.772 277 P CB 0.546 32.103 31.700 -0.238 0.000 0.855 278 K N 2.727 123.009 120.400 -0.195 0.000 2.350 278 K HA 0.126 4.446 4.320 0.000 0.000 0.279 278 K C 0.215 176.654 176.600 -0.269 0.000 1.027 278 K CA 0.301 56.475 56.287 -0.189 0.000 0.969 278 K CB 0.296 32.733 32.500 -0.104 0.000 0.954 278 K HN 0.480 nan 8.250 nan 0.000 0.474 279 Q N 1.499 121.117 119.800 -0.304 0.000 2.293 279 Q HA 0.285 4.625 4.340 0.000 0.000 0.261 279 Q C -0.945 174.995 176.000 -0.099 0.000 0.960 279 Q CA -0.655 54.957 55.803 -0.318 0.000 0.882 279 Q CB 1.817 30.224 28.738 -0.551 0.000 1.275 279 Q HN 0.331 nan 8.270 nan 0.000 0.445 280 D N 3.265 123.680 120.400 0.024 0.000 2.736 280 D HA 0.289 4.929 4.640 0.000 0.000 0.243 280 D C -2.424 173.896 176.300 0.033 0.000 1.304 280 D CA -1.606 52.406 54.000 0.019 0.000 0.934 280 D CB 1.531 42.340 40.800 0.016 0.000 1.382 280 D HN 0.224 nan 8.370 nan 0.000 0.571 281 P HA 0.161 nan 4.420 nan 0.000 0.272 281 P C -0.232 177.071 177.300 0.004 0.000 1.230 281 P CA -0.476 62.633 63.100 0.014 0.000 0.788 281 P CB 0.817 32.542 31.700 0.041 0.000 0.949 282 K N 2.568 122.980 120.400 0.020 0.000 2.448 282 K HA 0.121 4.441 4.320 0.000 0.000 0.278 282 K C -1.767 174.864 176.600 0.051 0.000 1.009 282 K CA -1.169 55.122 56.287 0.006 0.000 0.995 282 K CB -0.094 32.416 32.500 0.017 0.000 0.917 282 K HN 0.368 nan 8.250 nan 0.000 0.481 283 P HA 0.028 nan 4.420 nan 0.000 0.274 283 P C -0.236 177.119 177.300 0.093 0.000 1.246 283 P CA -0.290 62.872 63.100 0.104 0.000 0.795 283 P CB 0.566 32.321 31.700 0.092 0.000 1.006 284 L N 2.195 123.493 121.223 0.124 0.000 2.516 284 L HA -0.043 4.297 4.340 0.000 0.000 0.288 284 L C -0.944 175.982 176.870 0.093 0.000 1.246 284 L CA -0.956 53.973 54.840 0.148 0.000 0.844 284 L CB -0.519 41.709 42.059 0.281 0.000 1.106 284 L HN 0.333 nan 8.230 nan 0.000 0.509 285 P HA -0.233 nan 4.420 nan 0.000 0.217 285 P C 1.166 178.541 177.300 0.126 0.000 1.148 285 P CA 1.475 64.643 63.100 0.113 0.000 0.828 285 P CB -0.087 31.685 31.700 0.119 0.000 0.783 286 Y N -1.444 118.896 120.300 0.068 0.000 2.497 286 Y HA 0.039 4.589 4.550 0.000 0.000 0.292 286 Y C 1.419 177.361 175.900 0.070 0.000 1.137 286 Y CA 0.729 58.864 58.100 0.057 0.000 1.285 286 Y CB -1.294 37.198 38.460 0.053 0.000 0.991 286 Y HN -0.137 nan 8.280 nan 0.000 0.556 287 L N 0.024 120.984 121.223 -0.438 0.000 2.667 287 L HA 0.242 4.582 4.340 0.000 0.000 0.232 287 L C -0.192 176.634 176.870 -0.074 0.000 1.138 287 L CA -0.421 54.221 54.840 -0.330 0.000 0.921 287 L CB 0.212 42.033 42.059 -0.397 0.000 1.180 287 L HN 0.185 nan 8.230 nan 0.000 0.487 288 C N 0.118 119.408 119.300 -0.016 0.000 2.273 288 C HA 0.576 5.036 4.460 0.000 0.000 0.328 288 C C -0.027 175.042 174.990 0.133 0.000 1.275 288 C CA -0.393 58.647 59.018 0.037 0.000 1.704 288 C CB -0.384 27.376 27.740 0.034 0.000 2.326 288 C HN 0.268 nan 8.230 nan 0.000 0.517 289 H N 0.611 119.658 119.070 -0.038 0.000 2.856 289 H HA 0.323 4.879 4.556 0.000 0.000 0.355 289 H C 0.751 176.053 175.328 -0.043 0.000 1.079 289 H CA 0.028 56.057 56.048 -0.032 0.000 1.240 289 H CB 1.989 31.735 29.762 -0.028 0.000 1.701 289 H HN 0.554 nan 8.280 nan 0.000 0.527 290 S N 2.323 117.770 115.700 -0.422 0.000 2.470 290 S HA -0.047 4.424 4.470 0.000 0.000 0.225 290 S C 0.867 175.296 174.600 -0.285 0.000 1.006 290 S CA 0.024 58.047 58.200 -0.297 0.000 0.934 290 S CB -0.062 62.998 63.200 -0.234 0.000 0.778 290 S HN 0.689 nan 8.310 nan 0.000 0.517 291 Q N 3.051 122.598 119.800 -0.422 0.000 2.247 291 Q HA 0.153 4.493 4.340 0.000 0.000 0.288 291 Q C -2.577 173.398 176.000 -0.042 0.000 1.079 291 Q CA -1.795 53.898 55.803 -0.183 0.000 0.932 291 Q CB 0.289 28.977 28.738 -0.084 0.000 1.133 291 Q HN 0.203 nan 8.270 nan 0.000 0.377 292 P HA -0.080 nan 4.420 nan 0.000 0.264 292 P C -1.360 175.937 177.300 -0.006 0.000 1.193 292 P CA 0.647 63.700 63.100 -0.078 0.000 0.763 292 P CB 0.186 31.809 31.700 -0.128 0.000 0.810 293 Y N 1.079 121.230 120.300 -0.248 0.000 2.909 293 Y HA 0.183 4.733 4.550 0.000 0.000 0.239 293 Y C -0.492 175.213 175.900 -0.323 0.000 1.023 293 Y CA 0.042 58.004 58.100 -0.231 0.000 1.124 293 Y CB 0.424 38.916 38.460 0.054 0.000 1.226 293 Y HN 0.159 nan 8.280 nan 0.000 0.652 294 T N 1.368 115.587 114.554 -0.559 0.000 2.856 294 T HA 0.583 4.933 4.350 0.000 0.000 0.283 294 T C -1.124 173.176 174.700 -0.667 0.000 1.008 294 T CA -0.179 61.662 62.100 -0.433 0.000 0.997 294 T CB 1.004 69.709 68.868 -0.272 0.000 0.992 294 T HN 0.007 nan 8.240 nan 0.000 0.454 295 F N 1.344 121.283 119.950 -0.019 0.000 2.540 295 F HA 0.345 4.872 4.527 0.000 0.000 0.317 295 F C 0.280 176.160 175.800 0.134 0.000 1.104 295 F CA -1.277 56.803 58.000 0.133 0.000 0.913 295 F CB 1.413 40.580 39.000 0.278 0.000 1.170 295 F HN 0.380 nan 8.300 nan 0.000 0.450 296 D N 4.488 125.047 120.400 0.265 0.000 2.435 296 D HA 0.304 4.944 4.640 0.000 0.000 0.230 296 D C -0.654 175.731 176.300 0.141 0.000 1.215 296 D CA 0.256 54.350 54.000 0.156 0.000 0.947 296 D CB -0.015 40.866 40.800 0.135 0.000 1.048 296 D HN 0.393 nan 8.370 nan 0.000 0.512 297 I N 3.166 123.811 120.570 0.126 0.000 2.439 297 I HA 0.200 4.371 4.170 0.000 0.000 0.283 297 I C 0.056 176.170 176.117 -0.005 0.000 1.023 297 I CA -0.943 60.383 61.300 0.043 0.000 1.100 297 I CB 1.346 39.360 38.000 0.024 0.000 1.238 297 I HN 0.044 nan 8.210 nan 0.000 0.445 298 N N 7.694 126.384 118.700 -0.017 0.000 2.442 298 N HA 0.409 5.149 4.740 0.000 0.000 0.265 298 N C -0.771 174.735 175.510 -0.007 0.000 1.138 298 N CA 0.027 53.073 53.050 -0.006 0.000 0.956 298 N CB 1.672 40.165 38.487 0.009 0.000 1.067 298 N HN 0.435 nan 8.380 nan 0.000 0.474 299 L N 0.795 122.009 121.223 -0.015 0.000 2.342 299 L HA 0.472 4.812 4.340 0.000 0.000 0.271 299 L C 0.290 177.161 176.870 0.003 0.000 1.008 299 L CA -0.535 54.285 54.840 -0.035 0.000 0.818 299 L CB 1.963 43.993 42.059 -0.048 0.000 1.296 299 L HN 0.365 nan 8.230 nan 0.000 0.427 300 S N 1.144 116.844 115.700 0.000 0.000 2.541 300 S HA 0.777 5.247 4.470 0.000 0.000 0.280 300 S C -1.260 173.342 174.600 0.004 0.000 1.112 300 S CA -0.466 57.743 58.200 0.016 0.000 0.925 300 S CB 1.947 65.169 63.200 0.037 0.000 1.067 300 S HN 0.241 nan 8.310 nan 0.000 0.479 301 V N 3.887 123.806 119.914 0.008 0.000 2.487 301 V HA 0.677 4.797 4.120 0.000 0.000 0.298 301 V C -0.047 176.056 176.094 0.016 0.000 1.028 301 V CA -0.678 61.623 62.300 0.002 0.000 0.860 301 V CB 1.546 33.366 31.823 -0.005 0.000 0.991 301 V HN 0.939 nan 8.190 nan 0.000 0.427 302 S N 5.257 120.971 115.700 0.023 0.000 2.621 302 S HA 0.890 5.360 4.470 0.000 0.000 0.302 302 S C -0.919 173.709 174.600 0.046 0.000 1.093 302 S CA -0.757 57.464 58.200 0.034 0.000 1.017 302 S CB 2.155 65.378 63.200 0.038 0.000 1.077 302 S HN 0.723 nan 8.310 nan 0.000 0.517 303 L N 1.222 122.475 121.223 0.051 0.000 2.409 303 L HA 0.676 5.016 4.340 0.000 0.000 0.272 303 L C -1.046 175.861 176.870 0.062 0.000 0.980 303 L CA -0.472 54.408 54.840 0.067 0.000 0.826 303 L CB 1.740 43.839 42.059 0.066 0.000 1.268 303 L HN 0.922 nan 8.230 nan 0.000 0.407 304 K N 3.703 124.146 120.400 0.071 0.000 2.545 304 K HA 0.557 4.877 4.320 0.000 0.000 0.252 304 K C -0.185 176.453 176.600 0.063 0.000 0.948 304 K CA -0.557 55.765 56.287 0.060 0.000 0.827 304 K CB 1.659 34.193 32.500 0.057 0.000 1.128 304 K HN 0.781 nan 8.250 nan 0.000 0.429 305 G N 1.883 110.716 108.800 0.054 0.000 2.606 305 G HA2 -0.021 3.939 3.960 0.000 0.000 0.252 305 G HA3 -0.021 3.939 3.960 0.000 0.000 0.252 305 G C 0.639 175.566 174.900 0.044 0.000 1.206 305 G CA -0.311 44.820 45.100 0.052 0.000 0.861 305 G HN 0.885 nan 8.290 nan 0.000 0.561 306 E N -0.254 119.970 120.200 0.040 0.000 2.338 306 E HA -0.025 4.325 4.350 0.000 0.000 0.197 306 E C 1.793 178.411 176.600 0.029 0.000 1.007 306 E CA 0.883 57.304 56.400 0.034 0.000 0.849 306 E CB -0.066 29.652 29.700 0.029 0.000 0.774 306 E HN 0.474 nan 8.360 nan 0.000 0.506 307 G N 0.465 109.282 108.800 0.028 0.000 2.986 307 G HA2 0.175 4.135 3.960 0.000 0.000 0.213 307 G HA3 0.175 4.135 3.960 0.000 0.000 0.213 307 G C 0.529 175.444 174.900 0.024 0.000 1.156 307 G CA -0.414 44.700 45.100 0.024 0.000 0.763 307 G HN 0.051 nan 8.290 nan 0.000 0.547 308 M N 0.297 119.914 119.600 0.028 0.000 2.342 308 M HA 0.305 4.785 4.480 0.000 0.000 0.332 308 M C 1.000 177.316 176.300 0.026 0.000 1.166 308 M CA -0.284 55.032 55.300 0.027 0.000 1.086 308 M CB 2.005 34.623 32.600 0.031 0.000 1.541 308 M HN -0.056 nan 8.290 nan 0.000 0.462 309 S N -0.132 115.582 115.700 0.023 0.000 2.497 309 S HA 0.061 4.531 4.470 0.000 0.000 0.218 309 S C 0.108 174.721 174.600 0.023 0.000 1.023 309 S CA 0.185 58.398 58.200 0.022 0.000 0.913 309 S CB 0.251 63.462 63.200 0.018 0.000 0.800 309 S HN 0.604 nan 8.310 nan 0.000 0.505 310 Q N 1.403 121.216 119.800 0.022 0.000 2.331 310 Q HA 0.695 5.035 4.340 0.000 0.000 0.267 310 Q C -0.804 175.212 176.000 0.026 0.000 1.006 310 Q CA -0.556 55.260 55.803 0.022 0.000 0.818 310 Q CB 1.396 30.145 28.738 0.017 0.000 1.276 310 Q HN 0.221 nan 8.270 nan 0.000 0.450 311 A N 2.853 125.691 122.820 0.030 0.000 2.401 311 A HA 0.690 5.010 4.320 0.000 0.000 0.259 311 A C -0.334 177.267 177.584 0.028 0.000 1.103 311 A CA 0.175 52.232 52.037 0.034 0.000 0.789 311 A CB 0.184 19.208 19.000 0.040 0.000 1.035 311 A HN 0.841 nan 8.150 nan 0.000 0.491 312 A N 2.392 125.230 122.820 0.029 0.000 2.301 312 A HA 0.587 4.907 4.320 0.000 0.000 0.298 312 A C 0.458 178.055 177.584 0.022 0.000 1.185 312 A CA -0.265 51.786 52.037 0.022 0.000 0.830 312 A CB 0.041 19.054 19.000 0.022 0.000 1.112 312 A HN 0.776 nan 8.150 nan 0.000 0.508 313 T N 3.068 117.632 114.554 0.016 0.000 2.737 313 T HA 0.326 4.677 4.350 0.000 0.000 0.296 313 T C 1.333 176.040 174.700 0.012 0.000 0.922 313 T CA 0.274 62.383 62.100 0.015 0.000 1.079 313 T CB -0.149 68.726 68.868 0.011 0.000 0.892 313 T HN 0.594 nan 8.240 nan 0.000 0.514 314 I N 0.049 120.629 120.570 0.016 0.000 3.941 314 I HA 0.470 4.640 4.170 0.000 0.000 0.321 314 I C 0.600 176.726 176.117 0.016 0.000 1.284 314 I CA -0.341 60.967 61.300 0.015 0.000 1.226 314 I CB 0.494 38.507 38.000 0.021 0.000 1.045 314 I HN 0.487 nan 8.210 nan 0.000 0.420 315 C N 1.765 121.078 119.300 0.021 0.000 2.782 315 C HA 0.608 5.069 4.460 0.000 0.000 0.328 315 C C -1.024 173.983 174.990 0.029 0.000 1.145 315 C CA -0.427 58.609 59.018 0.031 0.000 1.358 315 C CB 1.783 29.555 27.740 0.053 0.000 1.841 315 C HN 0.473 nan 8.230 nan 0.000 0.477 316 R N 3.839 124.358 120.500 0.032 0.000 2.476 316 R HA 0.727 5.067 4.340 0.000 0.000 0.305 316 R C -0.650 175.694 176.300 0.075 0.000 0.965 316 R CA -0.129 55.995 56.100 0.039 0.000 0.867 316 R CB 2.131 32.445 30.300 0.024 0.000 1.176 316 R HN 0.792 nan 8.270 nan 0.000 0.447 317 S N 1.395 117.145 115.700 0.084 0.000 2.840 317 S HA 0.540 5.010 4.470 0.000 0.000 0.307 317 S C -1.691 172.937 174.600 0.045 0.000 1.180 317 S CA -0.748 57.542 58.200 0.150 0.000 0.846 317 S CB 1.784 65.097 63.200 0.190 0.000 1.233 317 S HN 0.611 nan 8.310 nan 0.000 0.548 318 N N 0.331 118.996 118.700 -0.057 0.000 2.431 318 N HA 0.270 5.010 4.740 0.000 0.000 0.275 318 N C -0.510 174.916 175.510 -0.140 0.000 1.091 318 N CA -0.421 52.511 53.050 -0.197 0.000 0.922 318 N CB 1.248 39.488 38.487 -0.412 0.000 1.666 318 N HN 0.527 nan 8.380 nan 0.000 0.484 319 F N 4.000 123.869 119.950 -0.135 0.000 2.307 319 F HA -0.049 4.478 4.527 0.000 0.000 0.301 319 F C 2.154 177.945 175.800 -0.014 0.000 1.076 319 F CA 1.485 59.463 58.000 -0.036 0.000 1.383 319 F CB 0.200 39.199 39.000 -0.002 0.000 1.055 319 F HN 0.644 nan 8.300 nan 0.000 0.526 320 K N -1.010 119.299 120.400 -0.153 0.000 2.504 320 K HA -0.147 4.173 4.320 0.000 0.000 0.195 320 K C 1.255 177.789 176.600 -0.110 0.000 1.036 320 K CA 1.575 57.752 56.287 -0.183 0.000 0.984 320 K CB -0.954 31.476 32.500 -0.116 0.000 0.788 320 K HN 0.426 nan 8.250 nan 0.000 0.488 321 H N -0.024 119.033 119.070 -0.021 0.000 2.524 321 H HA 0.094 4.650 4.556 0.000 0.000 0.282 321 H C 0.337 175.680 175.328 0.026 0.000 1.016 321 H CA -0.427 55.633 56.048 0.018 0.000 1.270 321 H CB 0.166 29.970 29.762 0.069 0.000 1.394 321 H HN 0.114 nan 8.280 nan 0.000 0.568 322 M N 0.145 119.779 119.600 0.057 0.000 2.243 322 M HA -0.093 4.387 4.480 0.000 0.000 0.341 322 M C 0.901 177.251 176.300 0.084 0.000 1.130 322 M CA 0.389 55.743 55.300 0.090 0.000 1.162 322 M CB 0.163 32.737 32.600 -0.043 0.000 1.497 322 M HN 0.218 nan 8.290 nan 0.000 0.456 323 Y N 0.978 121.304 120.300 0.043 0.000 2.397 323 Y HA 0.061 4.611 4.550 0.000 0.000 0.292 323 Y C -0.253 175.427 175.900 -0.367 0.000 1.115 323 Y CA 0.653 58.671 58.100 -0.137 0.000 1.208 323 Y CB 0.548 38.996 38.460 -0.020 0.000 1.046 323 Y HN 0.590 nan 8.280 nan 0.000 0.552 324 W N 1.173 122.480 121.300 0.011 0.000 2.573 324 W HA 0.404 5.064 4.660 0.000 0.000 0.326 324 W C 0.115 176.579 176.519 -0.091 0.000 1.049 324 W CA -0.845 56.432 57.345 -0.113 0.000 1.220 324 W CB 0.993 30.367 29.460 -0.143 0.000 1.373 324 W HN -0.145 nan 8.180 nan 0.000 0.507 325 T N -0.278 114.360 114.554 0.140 0.000 2.874 325 T HA 0.230 4.580 4.350 0.000 0.000 0.281 325 T C 1.055 175.853 174.700 0.164 0.000 0.994 325 T CA -0.554 61.628 62.100 0.136 0.000 1.015 325 T CB 0.949 69.898 68.868 0.134 0.000 1.028 325 T HN 0.542 nan 8.240 nan 0.000 0.523 326 M N 0.612 120.366 119.600 0.258 0.000 2.149 326 M HA -0.051 4.429 4.480 0.000 0.000 0.261 326 M C 2.119 178.412 176.300 -0.012 0.000 1.064 326 M CA 1.667 57.056 55.300 0.150 0.000 1.102 326 M CB -0.806 31.806 32.600 0.021 0.000 1.369 326 M HN 0.597 nan 8.290 nan 0.000 0.408 327 L N -0.417 120.771 121.223 -0.059 0.000 2.046 327 L HA -0.239 4.102 4.340 0.000 0.000 0.208 327 L C 2.518 179.372 176.870 -0.027 0.000 1.077 327 L CA 1.459 56.220 54.840 -0.132 0.000 0.747 327 L CB -0.886 41.060 42.059 -0.188 0.000 0.896 327 L HN 0.396 nan 8.230 nan 0.000 0.432 328 Q N -0.222 119.588 119.800 0.016 0.000 2.084 328 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 328 Q C 2.296 178.271 176.000 -0.041 0.000 0.978 328 Q CA 1.503 57.319 55.803 0.021 0.000 0.844 328 Q CB -0.145 28.686 28.738 0.155 0.000 0.898 328 Q HN 0.559 nan 8.270 nan 0.000 0.426 329 Q N 0.376 120.097 119.800 -0.131 0.000 2.050 329 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 329 Q C 2.177 178.183 176.000 0.010 0.000 0.980 329 Q CA 1.228 56.775 55.803 -0.427 0.000 0.840 329 Q CB -0.159 28.089 28.738 -0.816 0.000 0.898 329 Q HN 0.315 nan 8.270 nan 0.000 0.424 330 L N 0.086 121.412 121.223 0.172 0.000 2.056 330 L HA -0.146 4.195 4.340 0.000 0.000 0.207 330 L C 2.165 179.151 176.870 0.193 0.000 1.078 330 L CA 1.477 56.483 54.840 0.278 0.000 0.749 330 L CB -0.343 41.870 42.059 0.257 0.000 0.901 330 L HN 0.135 nan 8.230 nan 0.000 0.433 331 T N -1.730 112.902 114.554 0.131 0.000 2.708 331 T HA -0.264 4.086 4.350 0.000 0.000 0.266 331 T C 1.759 176.603 174.700 0.241 0.000 1.037 331 T CA 1.771 63.954 62.100 0.138 0.000 1.146 331 T CB -0.435 68.492 68.868 0.098 0.000 0.865 331 T HN 0.548 nan 8.240 nan 0.000 0.435 332 H N 0.507 119.671 119.070 0.156 0.000 2.353 332 H HA -0.106 4.450 4.556 0.000 0.000 0.300 332 H C 2.250 177.710 175.328 0.219 0.000 1.090 332 H CA 1.807 57.983 56.048 0.214 0.000 1.327 332 H CB -0.389 29.414 29.762 0.067 0.000 1.383 332 H HN 0.305 nan 8.280 nan 0.000 0.508 333 H N -0.376 118.798 119.070 0.173 0.000 2.457 333 H HA -0.064 4.492 4.556 0.000 0.000 0.297 333 H C 1.763 177.100 175.328 0.016 0.000 1.092 333 H CA 1.623 57.740 56.048 0.115 0.000 1.309 333 H CB -0.065 29.850 29.762 0.255 0.000 1.382 333 H HN 0.545 nan 8.280 nan 0.000 0.535 334 S N -1.183 114.617 115.700 0.167 0.000 2.539 334 S HA 0.064 4.534 4.470 0.000 0.000 0.221 334 S C 1.965 176.561 174.600 -0.007 0.000 0.987 334 S CA 0.370 58.603 58.200 0.054 0.000 0.929 334 S CB -0.009 63.191 63.200 -0.001 0.000 0.832 334 S HN 0.114 nan 8.310 nan 0.000 0.492 335 V N 3.953 123.855 119.914 -0.021 0.000 2.594 335 V HA -0.162 3.958 4.120 0.000 0.000 0.253 335 V C 1.901 177.913 176.094 -0.137 0.000 1.069 335 V CA 2.222 64.472 62.300 -0.085 0.000 1.082 335 V CB -0.800 30.941 31.823 -0.137 0.000 0.680 335 V HN 0.833 nan 8.190 nan 0.000 0.469 336 N N -0.066 118.558 118.700 -0.127 0.000 2.336 336 N HA 0.194 4.934 4.740 0.000 0.000 0.189 336 N C 1.269 176.698 175.510 -0.135 0.000 1.113 336 N CA 1.023 53.995 53.050 -0.129 0.000 0.858 336 N CB 0.463 38.883 38.487 -0.113 0.000 0.970 336 N HN 0.591 nan 8.380 nan 0.000 0.471 337 G N -0.420 108.304 108.800 -0.126 0.000 2.176 337 G HA2 -0.284 3.676 3.960 0.000 0.000 0.232 337 G HA3 -0.284 3.676 3.960 0.000 0.000 0.232 337 G C 0.145 174.954 174.900 -0.151 0.000 0.986 337 G CA -0.039 44.954 45.100 -0.179 0.000 0.643 337 G HN 0.649 nan 8.290 nan 0.000 0.522 338 C N 2.829 122.101 119.300 -0.047 0.000 2.596 338 C HA 0.455 4.915 4.460 0.000 0.000 0.414 338 C C 0.958 175.973 174.990 0.043 0.000 1.396 338 C CA -0.056 58.991 59.018 0.049 0.000 1.698 338 C CB -0.651 27.168 27.740 0.132 0.000 2.572 338 C HN 0.633 nan 8.230 nan 0.000 0.604 339 N N 7.242 126.002 118.700 0.100 0.000 2.521 339 N HA 0.235 4.975 4.740 0.000 0.000 0.236 339 N C -0.718 174.803 175.510 0.018 0.000 1.067 339 N CA -0.195 52.902 53.050 0.079 0.000 0.939 339 N CB 0.244 38.829 38.487 0.165 0.000 1.201 339 N HN 0.708 nan 8.380 nan 0.000 0.511 340 L N 1.667 122.869 121.223 -0.035 0.000 2.456 340 L HA 0.231 4.571 4.340 0.000 0.000 0.272 340 L C 1.034 177.911 176.870 0.011 0.000 1.189 340 L CA 0.010 54.816 54.840 -0.057 0.000 0.846 340 L CB 0.316 42.329 42.059 -0.077 0.000 1.111 340 L HN 0.350 nan 8.230 nan 0.000 0.475 341 R N 2.455 122.969 120.500 0.023 0.000 2.854 341 R HA 0.453 4.793 4.340 0.000 0.000 0.271 341 R C -2.560 173.781 176.300 0.069 0.000 0.994 341 R CA -2.102 54.026 56.100 0.046 0.000 0.945 341 R CB 1.576 31.892 30.300 0.026 0.000 1.194 341 R HN 0.292 nan 8.270 nan 0.000 0.476 342 P HA -0.030 nan 4.420 nan 0.000 0.264 342 P C 0.533 177.858 177.300 0.042 0.000 1.183 342 P CA 1.039 64.173 63.100 0.057 0.000 0.763 342 P CB 0.517 32.224 31.700 0.013 0.000 0.807 343 G N 1.777 110.622 108.800 0.075 0.000 2.199 343 G HA2 -0.209 3.751 3.960 0.000 0.000 0.254 343 G HA3 -0.209 3.751 3.960 0.000 0.000 0.254 343 G C 0.070 175.150 174.900 0.299 0.000 0.982 343 G CA -0.208 44.978 45.100 0.144 0.000 0.632 343 G HN 0.491 nan 8.290 nan 0.000 0.529 344 D N -0.134 120.371 120.400 0.175 0.000 2.400 344 D HA 0.446 5.086 4.640 0.000 0.000 0.238 344 D C 0.307 176.627 176.300 0.033 0.000 1.157 344 D CA 0.172 54.231 54.000 0.098 0.000 0.889 344 D CB 1.325 42.136 40.800 0.018 0.000 1.199 344 D HN 0.304 nan 8.370 nan 0.000 0.436 345 L N 2.392 123.569 121.223 -0.077 0.000 2.349 345 L HA 0.377 4.718 4.340 0.000 0.000 0.278 345 L C -1.625 175.130 176.870 -0.192 0.000 0.996 345 L CA -0.587 54.064 54.840 -0.314 0.000 0.825 345 L CB 1.261 43.111 42.059 -0.347 0.000 1.243 345 L HN 0.153 nan 8.230 nan 0.000 0.412 346 L N 5.516 126.463 121.223 -0.461 0.000 2.316 346 L HA 0.798 5.138 4.340 0.000 0.000 0.280 346 L C 0.092 176.854 176.870 -0.180 0.000 1.006 346 L CA -0.114 54.533 54.840 -0.322 0.000 0.836 346 L CB 1.411 43.115 42.059 -0.591 0.000 1.221 346 L HN 0.731 nan 8.230 nan 0.000 0.418 347 A N 1.580 124.474 122.820 0.123 0.000 2.282 347 A HA 0.602 4.922 4.320 0.000 0.000 0.319 347 A C 1.053 178.831 177.584 0.324 0.000 1.121 347 A CA 0.172 52.316 52.037 0.178 0.000 0.836 347 A CB 0.827 19.960 19.000 0.221 0.000 1.146 347 A HN 0.797 nan 8.150 nan 0.000 0.494 348 S N 0.710 116.593 115.700 0.304 0.000 2.428 348 S HA 0.403 4.873 4.470 0.000 0.000 0.230 348 S C 1.097 175.937 174.600 0.401 0.000 1.014 348 S CA 0.685 59.129 58.200 0.406 0.000 0.957 348 S CB -0.815 62.673 63.200 0.481 0.000 0.784 348 S HN 2.685 nan 8.310 nan 0.000 0.499 349 G N 0.131 109.120 108.800 0.316 0.000 2.662 349 G HA2 -0.038 3.922 3.960 0.000 0.000 0.686 349 G HA3 -0.038 3.922 3.960 0.000 0.000 0.686 349 G C -0.519 174.453 174.900 0.121 0.000 1.271 349 G CA -0.638 44.626 45.100 0.274 0.000 0.816 349 G HN 0.403 nan 8.290 nan 0.000 0.608 350 T N 0.711 115.203 114.554 -0.102 0.000 2.867 350 T HA 0.350 4.700 4.350 0.000 0.000 0.297 350 T C 1.199 175.841 174.700 -0.097 0.000 0.989 350 T CA 0.504 62.442 62.100 -0.271 0.000 1.159 350 T CB 0.297 68.651 68.868 -0.857 0.000 0.928 350 T HN 0.538 nan 8.240 nan 0.000 0.538 351 I N 3.661 124.254 120.570 0.037 0.000 2.257 351 I HA 0.132 4.302 4.170 0.000 0.000 0.290 351 I C 0.458 176.689 176.117 0.191 0.000 1.137 351 I CA -0.125 61.270 61.300 0.159 0.000 1.255 351 I CB -0.036 38.079 38.000 0.192 0.000 1.485 351 I HN 0.487 nan 8.210 nan 0.000 0.534 352 S N 3.004 118.822 115.700 0.196 0.000 2.462 352 S HA 0.606 5.076 4.470 0.000 0.000 0.294 352 S C 0.548 175.275 174.600 0.211 0.000 1.144 352 S CA -0.655 57.692 58.200 0.245 0.000 1.088 352 S CB 1.741 65.055 63.200 0.190 0.000 1.009 352 S HN 0.668 nan 8.310 nan 0.000 0.484 353 G N 1.053 109.960 108.800 0.178 0.000 2.537 353 G HA2 0.377 4.337 3.960 0.000 0.000 0.297 353 G HA3 0.377 4.337 3.960 0.000 0.000 0.297 353 G C 1.011 175.933 174.900 0.035 0.000 1.310 353 G CA -0.216 44.764 45.100 -0.200 0.000 1.027 353 G HN 0.704 nan 8.290 nan 0.000 0.505 354 S N -1.238 114.410 115.700 -0.086 0.000 2.436 354 S HA -0.041 4.429 4.470 0.000 0.000 0.228 354 S C 0.797 175.430 174.600 0.056 0.000 1.014 354 S CA 0.733 58.965 58.200 0.053 0.000 0.950 354 S CB -0.073 63.108 63.200 -0.032 0.000 0.784 354 S HN 0.522 nan 8.310 nan 0.000 0.504 355 D N 3.189 123.540 120.400 -0.081 0.000 2.383 355 D HA 0.218 4.858 4.640 0.000 0.000 0.252 355 D C -1.861 174.141 176.300 -0.497 0.000 1.166 355 D CA -2.113 51.771 54.000 -0.193 0.000 0.879 355 D CB 1.449 42.168 40.800 -0.135 0.000 1.164 355 D HN -0.001 nan 8.370 nan 0.000 0.462 356 P HA -0.118 nan 4.420 nan 0.000 0.220 356 P C 0.605 177.396 177.300 -0.849 0.000 1.144 356 P CA 1.004 63.181 63.100 -1.539 0.000 0.800 356 P CB 0.232 31.428 31.700 -0.841 0.000 0.772 357 E N -0.777 119.170 120.200 -0.421 0.000 2.418 357 E HA -0.057 4.293 4.350 0.000 0.000 0.197 357 E C 1.288 177.820 176.600 -0.113 0.000 1.026 357 E CA 1.050 57.325 56.400 -0.208 0.000 0.862 357 E CB -0.226 29.398 29.700 -0.126 0.000 0.799 357 E HN 0.352 nan 8.360 nan 0.000 0.518 358 S N -0.310 115.321 115.700 -0.116 0.000 2.568 358 S HA 0.152 4.622 4.470 0.000 0.000 0.232 358 S C 0.282 175.029 174.600 0.244 0.000 0.975 358 S CA -0.671 57.573 58.200 0.074 0.000 0.949 358 S CB -0.302 62.971 63.200 0.121 0.000 0.829 358 S HN 0.050 nan 8.310 nan 0.000 0.479 359 F N 1.655 121.643 119.950 0.063 0.000 2.484 359 F HA 0.396 4.923 4.527 0.000 0.000 0.360 359 F C 1.672 177.523 175.800 0.085 0.000 1.101 359 F CA -0.487 57.568 58.000 0.091 0.000 1.251 359 F CB 0.845 39.911 39.000 0.111 0.000 1.132 359 F HN 0.334 nan 8.300 nan 0.000 0.570 360 G N 1.432 110.397 108.800 0.275 0.000 3.371 360 G HA2 0.188 4.148 3.960 0.000 0.000 0.248 360 G HA3 0.188 4.148 3.960 0.000 0.000 0.248 360 G C -0.181 174.782 174.900 0.104 0.000 1.161 360 G CA 0.022 45.209 45.100 0.146 0.000 0.796 360 G HN 0.561 nan 8.290 nan 0.000 0.539 361 S N -1.721 114.068 115.700 0.150 0.000 2.579 361 S HA 0.498 4.968 4.470 0.000 0.000 0.272 361 S C 0.782 175.445 174.600 0.104 0.000 1.141 361 S CA -0.778 57.495 58.200 0.121 0.000 0.843 361 S CB 1.660 64.958 63.200 0.164 0.000 1.122 361 S HN -0.068 nan 8.310 nan 0.000 0.468 362 M N 0.957 120.596 119.600 0.064 0.000 2.394 362 M HA 0.058 4.538 4.480 0.000 0.000 0.264 362 M C 1.808 177.983 176.300 -0.207 0.000 1.073 362 M CA 0.683 55.939 55.300 -0.074 0.000 1.111 362 M CB -0.527 31.998 32.600 -0.125 0.000 1.401 362 M HN 0.760 nan 8.290 nan 0.000 0.448 363 L N 1.060 122.288 121.223 0.008 0.000 2.012 363 L HA -0.207 4.133 4.340 0.000 0.000 0.210 363 L C 1.980 178.821 176.870 -0.048 0.000 1.073 363 L CA 2.088 56.966 54.840 0.064 0.000 0.748 363 L CB -0.453 41.706 42.059 0.167 0.000 0.891 363 L HN 0.268 nan 8.230 nan 0.000 0.431 364 E N -0.664 119.543 120.200 0.012 0.000 2.046 364 E HA -0.168 4.183 4.350 0.000 0.000 0.190 364 E C 2.264 179.113 176.600 0.416 0.000 0.982 364 E CA 1.388 57.868 56.400 0.133 0.000 0.800 364 E CB -0.283 29.453 29.700 0.060 0.000 0.756 364 E HN 0.491 nan 8.360 nan 0.000 0.449 365 L N 1.050 122.447 121.223 0.289 0.000 2.083 365 L HA -0.141 4.199 4.340 0.000 0.000 0.209 365 L C 2.509 179.474 176.870 0.158 0.000 1.083 365 L CA 1.303 56.286 54.840 0.239 0.000 0.752 365 L CB -0.347 41.782 42.059 0.116 0.000 0.899 365 L HN 0.174 nan 8.230 nan 0.000 0.433 366 S N -2.407 113.322 115.700 0.048 0.000 2.575 366 S HA -0.157 4.313 4.470 0.000 0.000 0.215 366 S C 0.738 175.444 174.600 0.178 0.000 0.966 366 S CA -0.659 57.550 58.200 0.015 0.000 0.911 366 S CB -0.354 62.712 63.200 -0.223 0.000 0.780 366 S HN 0.531 nan 8.310 nan 0.000 0.514 367 W N 2.763 124.068 121.300 0.009 0.000 6.562 367 W HA -0.261 4.399 4.660 0.000 0.000 0.418 367 W C 0.038 176.600 176.519 0.073 0.000 1.645 367 W CA 1.105 58.476 57.345 0.044 0.000 1.086 367 W CB -1.621 27.873 29.460 0.057 0.000 2.865 367 W HN 0.648 nan 8.180 nan 0.000 1.517 368 K N -0.032 120.351 120.400 -0.030 0.000 3.096 368 K HA -0.211 4.109 4.320 0.000 0.000 0.266 368 K C 0.902 177.646 176.600 0.239 0.000 1.043 368 K CA 1.623 57.998 56.287 0.145 0.000 0.758 368 K CB -1.479 31.031 32.500 0.017 0.000 1.260 368 K HN 1.272 nan 8.250 nan 0.000 0.481 369 G N -1.276 107.629 108.800 0.175 0.000 2.159 369 G HA2 -0.360 3.600 3.960 0.000 0.000 0.256 369 G HA3 -0.360 3.600 3.960 0.000 0.000 0.256 369 G C 0.430 175.418 174.900 0.147 0.000 0.977 369 G CA 1.200 46.413 45.100 0.189 0.000 0.652 369 G HN 0.836 nan 8.290 nan 0.000 0.531 370 T N -2.729 111.925 114.554 0.167 0.000 3.044 370 T HA 0.446 4.796 4.350 0.000 0.000 0.250 370 T C 0.756 175.535 174.700 0.132 0.000 1.081 370 T CA 0.907 63.104 62.100 0.162 0.000 1.040 370 T CB 0.477 69.477 68.868 0.219 0.000 0.962 370 T HN 0.471 nan 8.240 nan 0.000 0.506 371 K N 1.080 121.556 120.400 0.126 0.000 2.378 371 K HA 0.730 5.050 4.320 0.000 0.000 0.252 371 K C -0.945 175.685 176.600 0.049 0.000 0.931 371 K CA -0.929 55.407 56.287 0.083 0.000 0.794 371 K CB 2.362 34.917 32.500 0.092 0.000 1.181 371 K HN 0.176 nan 8.250 nan 0.000 0.425 372 A N 3.435 126.275 122.820 0.032 0.000 2.401 372 A HA 0.358 4.679 4.320 0.000 0.000 0.259 372 A C -0.054 177.535 177.584 0.009 0.000 1.103 372 A CA -0.342 51.706 52.037 0.018 0.000 0.789 372 A CB -0.142 18.869 19.000 0.019 0.000 1.035 372 A HN 0.699 nan 8.150 nan 0.000 0.491 373 I N 1.918 122.488 120.570 0.000 0.000 2.331 373 I HA 0.137 4.307 4.170 0.000 0.000 0.292 373 I C -0.143 175.976 176.117 0.003 0.000 0.998 373 I CA -0.495 60.804 61.300 -0.001 0.000 1.267 373 I CB 1.387 39.382 38.000 -0.010 0.000 1.386 373 I HN 0.627 nan 8.210 nan 0.000 0.476 374 D N 6.400 126.801 120.400 0.001 0.000 2.339 374 D HA 0.129 4.769 4.640 0.000 0.000 0.256 374 D C 0.467 176.771 176.300 0.007 0.000 1.214 374 D CA -0.149 53.853 54.000 0.003 0.000 0.877 374 D CB 1.269 42.067 40.800 -0.003 0.000 1.111 374 D HN 0.326 nan 8.370 nan 0.000 0.478 375 V N 1.689 121.610 119.914 0.012 0.000 3.085 375 V HA 0.708 4.828 4.120 0.000 0.000 0.345 375 V C 0.666 176.770 176.094 0.017 0.000 1.397 375 V CA 0.268 62.579 62.300 0.017 0.000 1.165 375 V CB -0.321 31.517 31.823 0.025 0.000 1.153 375 V HN 0.744 nan 8.190 nan 0.000 0.495 376 G N 0.160 108.967 108.800 0.012 0.000 2.392 376 G HA2 0.004 3.964 3.960 0.000 0.000 0.677 376 G HA3 0.004 3.964 3.960 0.000 0.000 0.677 376 G C -0.689 174.217 174.900 0.010 0.000 1.334 376 G CA -0.426 44.681 45.100 0.011 0.000 0.961 376 G HN 0.583 nan 8.290 nan 0.000 0.616 377 Q N 0.357 120.163 119.800 0.009 0.000 2.557 377 Q HA 0.343 4.683 4.340 0.000 0.000 0.316 377 Q C 1.683 177.689 176.000 0.009 0.000 1.130 377 Q CA 2.747 58.554 55.803 0.008 0.000 1.065 377 Q CB -0.487 28.255 28.738 0.007 0.000 1.014 377 Q HN 2.523 nan 8.270 nan 0.000 0.397 378 G N 2.726 111.531 108.800 0.009 0.000 2.284 378 G HA2 -0.317 3.643 3.960 0.000 0.000 0.247 378 G HA3 -0.317 3.643 3.960 0.000 0.000 0.247 378 G C -0.058 174.850 174.900 0.013 0.000 1.012 378 G CA 0.254 45.360 45.100 0.010 0.000 0.618 378 G HN 0.587 nan 8.290 nan 0.000 0.521 379 Q N 1.228 121.037 119.800 0.014 0.000 2.235 379 Q HA 0.580 4.920 4.340 0.000 0.000 0.250 379 Q C 0.241 176.252 176.000 0.019 0.000 0.909 379 Q CA 0.385 56.199 55.803 0.018 0.000 0.910 379 Q CB 1.638 30.389 28.738 0.021 0.000 1.223 379 Q HN 0.564 nan 8.270 nan 0.000 0.432 380 T N -0.466 114.102 114.554 0.022 0.000 2.883 380 T HA 0.735 5.085 4.350 0.000 0.000 0.296 380 T C -0.546 174.171 174.700 0.027 0.000 1.117 380 T CA -1.132 60.981 62.100 0.021 0.000 1.006 380 T CB 1.973 70.853 68.868 0.020 0.000 1.191 380 T HN 0.336 nan 8.240 nan 0.000 0.508 381 R N 0.108 120.620 120.500 0.020 0.000 2.771 381 R HA 0.667 5.007 4.340 0.000 0.000 0.274 381 R C 0.702 176.997 176.300 -0.008 0.000 0.987 381 R CA -0.392 55.721 56.100 0.022 0.000 0.908 381 R CB 1.734 32.048 30.300 0.024 0.000 1.213 381 R HN 1.058 nan 8.270 nan 0.000 0.468 382 T N -2.217 112.333 114.554 -0.007 0.000 3.234 382 T HA 0.346 4.696 4.350 0.000 0.000 0.235 382 T C 0.742 175.228 174.700 -0.357 0.000 0.971 382 T CA 0.368 62.390 62.100 -0.130 0.000 1.292 382 T CB -0.085 68.786 68.868 0.005 0.000 0.994 382 T HN 0.265 nan 8.240 nan 0.000 0.412 383 F N 0.817 120.813 119.950 0.077 0.000 2.525 383 F HA 0.656 5.183 4.527 0.000 0.000 0.346 383 F C 0.081 175.936 175.800 0.092 0.000 1.072 383 F CA -1.592 56.461 58.000 0.089 0.000 1.033 383 F CB 0.830 39.879 39.000 0.081 0.000 1.324 383 F HN 0.027 nan 8.300 nan 0.000 0.491 384 L N 2.084 123.504 121.223 0.329 0.000 2.426 384 L HA 0.229 4.569 4.340 0.000 0.000 0.271 384 L C -0.449 176.523 176.870 0.170 0.000 1.169 384 L CA -0.104 54.874 54.840 0.230 0.000 0.836 384 L CB 0.258 42.483 42.059 0.276 0.000 1.112 384 L HN 0.294 nan 8.230 nan 0.000 0.465 385 L N 1.549 122.848 121.223 0.126 0.000 2.352 385 L HA 0.354 4.694 4.340 0.000 0.000 0.269 385 L C -0.246 176.663 176.870 0.065 0.000 1.034 385 L CA -1.137 53.754 54.840 0.085 0.000 0.806 385 L CB 1.160 43.262 42.059 0.070 0.000 1.244 385 L HN 0.500 nan 8.230 nan 0.000 0.447 386 D N 1.339 121.761 120.400 0.036 0.000 2.525 386 D HA 0.213 4.853 4.640 0.000 0.000 0.235 386 D C 1.063 177.380 176.300 0.028 0.000 1.137 386 D CA 1.463 55.474 54.000 0.019 0.000 0.868 386 D CB 0.948 41.750 40.800 0.003 0.000 1.180 386 D HN 0.820 nan 8.370 nan 0.000 0.465 387 G N 2.088 110.902 108.800 0.024 0.000 2.225 387 G HA2 -0.259 3.701 3.960 0.000 0.000 0.254 387 G HA3 -0.259 3.701 3.960 0.000 0.000 0.254 387 G C 0.075 175.006 174.900 0.051 0.000 0.988 387 G CA -0.044 45.075 45.100 0.031 0.000 0.625 387 G HN 0.537 nan 8.290 nan 0.000 0.527 388 D N 1.018 121.461 120.400 0.070 0.000 2.424 388 D HA 0.456 5.096 4.640 0.000 0.000 0.244 388 D C 0.421 176.797 176.300 0.126 0.000 1.134 388 D CA 0.384 54.444 54.000 0.099 0.000 0.881 388 D CB 1.119 41.995 40.800 0.127 0.000 1.191 388 D HN 0.548 nan 8.370 nan 0.000 0.445 389 E N 1.206 121.484 120.200 0.130 0.000 2.176 389 E HA 0.423 4.773 4.350 0.000 0.000 0.267 389 E C -1.440 175.267 176.600 0.178 0.000 0.893 389 E CA -0.778 55.718 56.400 0.159 0.000 0.761 389 E CB 1.172 30.941 29.700 0.115 0.000 1.133 389 E HN 0.063 nan 8.360 nan 0.000 0.409 390 V N 6.402 126.471 119.914 0.258 0.000 2.398 390 V HA 0.428 4.548 4.120 0.000 0.000 0.286 390 V C -0.096 176.072 176.094 0.123 0.000 1.026 390 V CA -0.569 61.833 62.300 0.170 0.000 0.868 390 V CB 1.278 33.180 31.823 0.130 0.000 0.982 390 V HN 0.643 nan 8.190 nan 0.000 0.443 391 I N 5.846 126.456 120.570 0.068 0.000 2.418 391 I HA 0.503 4.673 4.170 0.000 0.000 0.287 391 I C -0.592 175.532 176.117 0.013 0.000 1.008 391 I CA -0.409 60.922 61.300 0.052 0.000 1.104 391 I CB 1.988 40.028 38.000 0.067 0.000 1.264 391 I HN 0.413 nan 8.210 nan 0.000 0.438 392 I N 5.555 126.118 120.570 -0.012 0.000 2.392 392 I HA 0.417 4.587 4.170 0.000 0.000 0.295 392 I C 0.236 176.338 176.117 -0.025 0.000 0.985 392 I CA -0.208 61.069 61.300 -0.039 0.000 1.221 392 I CB 1.944 39.892 38.000 -0.087 0.000 1.366 392 I HN 0.611 nan 8.210 nan 0.000 0.467 393 T N 1.604 116.136 114.554 -0.035 0.000 2.901 393 T HA 0.874 5.224 4.350 0.000 0.000 0.293 393 T C -0.392 174.224 174.700 -0.140 0.000 1.084 393 T CA -0.967 61.094 62.100 -0.064 0.000 1.008 393 T CB 2.212 71.088 68.868 0.013 0.000 1.170 393 T HN 0.824 nan 8.240 nan 0.000 0.509 394 G N 0.280 108.902 108.800 -0.296 0.000 2.746 394 G HA2 0.643 4.603 3.960 0.000 0.000 0.297 394 G HA3 0.643 4.603 3.960 0.000 0.000 0.297 394 G C -2.139 172.511 174.900 -0.416 0.000 1.426 394 G CA -0.759 44.163 45.100 -0.297 0.000 0.989 394 G HN 0.939 nan 8.290 nan 0.000 0.520 395 H N -1.129 117.939 119.070 -0.003 0.000 2.996 395 H HA 0.497 5.053 4.556 0.000 0.000 0.368 395 H C -0.855 174.385 175.328 -0.145 0.000 1.185 395 H CA -0.533 55.494 56.048 -0.034 0.000 1.160 395 H CB 1.789 31.489 29.762 -0.104 0.000 1.820 395 H HN 0.674 nan 8.280 nan 0.000 0.547 396 C N 1.932 121.115 119.300 -0.195 0.000 2.319 396 C HA 0.394 4.854 4.460 0.000 0.000 0.335 396 C C 0.085 174.694 174.990 -0.636 0.000 1.274 396 C CA -0.469 58.161 59.018 -0.646 0.000 1.806 396 C CB 0.371 27.176 27.740 -1.558 0.000 2.329 396 C HN 0.679 nan 8.230 nan 0.000 0.524 397 Q N 1.884 121.443 119.800 -0.402 0.000 2.340 397 Q HA 0.578 4.918 4.340 0.000 0.000 0.259 397 Q C 0.158 176.084 176.000 -0.124 0.000 0.964 397 Q CA 0.287 55.942 55.803 -0.247 0.000 0.900 397 Q CB 0.989 29.642 28.738 -0.141 0.000 1.228 397 Q HN 0.940 nan 8.270 nan 0.000 0.449 398 G N 1.966 110.541 108.800 -0.376 0.000 2.642 398 G HA2 0.240 4.200 3.960 0.000 0.000 0.291 398 G HA3 0.240 4.200 3.960 0.000 0.000 0.291 398 G C -1.019 173.697 174.900 -0.306 0.000 1.345 398 G CA -0.714 44.110 45.100 -0.460 0.000 1.043 398 G HN 0.663 nan 8.290 nan 0.000 0.528 399 D N -0.791 119.549 120.400 -0.101 0.000 2.402 399 D HA 0.415 5.055 4.640 0.000 0.000 0.235 399 D C 1.245 177.620 176.300 0.124 0.000 1.226 399 D CA 1.015 55.032 54.000 0.028 0.000 0.918 399 D CB -0.254 40.593 40.800 0.078 0.000 1.043 399 D HN 0.976 nan 8.370 nan 0.000 0.506 400 G N 3.120 111.952 108.800 0.054 0.000 2.141 400 G HA2 -0.238 3.722 3.960 0.000 0.000 0.242 400 G HA3 -0.238 3.722 3.960 0.000 0.000 0.242 400 G C -0.135 174.885 174.900 0.200 0.000 0.982 400 G CA 0.589 45.754 45.100 0.109 0.000 0.662 400 G HN 0.794 nan 8.290 nan 0.000 0.527 401 Y N -1.781 118.528 120.300 0.015 0.000 2.641 401 Y HA 0.789 5.339 4.550 0.000 0.000 0.333 401 Y C -0.567 175.342 175.900 0.015 0.000 1.174 401 Y CA -1.452 56.652 58.100 0.007 0.000 1.057 401 Y CB 0.721 39.194 38.460 0.022 0.000 1.322 401 Y HN 0.415 nan 8.280 nan 0.000 0.457 402 R N 1.050 121.554 120.500 0.008 0.000 2.807 402 R HA 0.850 5.190 4.340 0.000 0.000 0.276 402 R C -1.971 174.350 176.300 0.036 0.000 0.979 402 R CA -1.301 54.736 56.100 -0.104 0.000 0.928 402 R CB 2.416 32.654 30.300 -0.103 0.000 1.191 402 R HN 0.495 nan 8.270 nan 0.000 0.471 403 V N 1.864 121.734 119.914 -0.073 0.000 2.311 403 V HA 0.463 4.583 4.120 0.000 0.000 0.275 403 V C 0.326 176.309 176.094 -0.186 0.000 1.022 403 V CA -0.222 62.021 62.300 -0.094 0.000 0.830 403 V CB 1.042 32.836 31.823 -0.049 0.000 1.012 403 V HN 0.943 nan 8.190 nan 0.000 0.452 404 G N 2.327 110.964 108.800 -0.272 0.000 2.509 404 G HA2 0.601 4.561 3.960 0.000 0.000 0.328 404 G HA3 0.601 4.561 3.960 0.000 0.000 0.328 404 G C -0.440 174.201 174.900 -0.432 0.000 1.194 404 G CA -0.319 44.588 45.100 -0.320 0.000 0.967 404 G HN 0.486 nan 8.290 nan 0.000 0.488 405 F N 0.418 120.169 119.950 -0.331 0.000 2.682 405 F HA 0.366 4.893 4.527 0.000 0.000 0.308 405 F C 1.696 177.538 175.800 0.070 0.000 1.093 405 F CA 0.450 58.401 58.000 -0.082 0.000 1.244 405 F CB 0.492 39.422 39.000 -0.118 0.000 1.052 405 F HN 0.941 nan 8.300 nan 0.000 0.573 406 G N 0.859 109.718 108.800 0.098 0.000 2.569 406 G HA2 -0.259 3.701 3.960 0.000 0.000 0.259 406 G HA3 -0.259 3.701 3.960 0.000 0.000 0.259 406 G C -0.253 174.757 174.900 0.183 0.000 1.263 406 G CA -0.528 44.728 45.100 0.260 0.000 0.928 406 G HN 0.248 nan 8.290 nan 0.000 0.572 407 Q N -1.369 118.558 119.800 0.212 0.000 2.306 407 Q HA 0.532 4.872 4.340 0.000 0.000 0.265 407 Q C -0.666 175.410 176.000 0.125 0.000 1.022 407 Q CA -0.458 55.427 55.803 0.136 0.000 0.853 407 Q CB 2.408 31.223 28.738 0.127 0.000 1.327 407 Q HN 0.859 nan 8.270 nan 0.000 0.449 408 C N 2.177 121.525 119.300 0.080 0.000 2.409 408 C HA 0.822 5.282 4.460 0.000 0.000 0.297 408 C C -0.564 174.469 174.990 0.072 0.000 1.083 408 C CA -0.164 58.892 59.018 0.063 0.000 1.515 408 C CB -1.031 26.714 27.740 0.008 0.000 1.869 408 C HN 0.762 nan 8.230 nan 0.000 0.413 409 A N 3.753 126.646 122.820 0.121 0.000 2.356 409 A HA 1.016 5.336 4.320 0.000 0.000 0.323 409 A C -0.081 177.657 177.584 0.258 0.000 1.119 409 A CA -0.031 52.103 52.037 0.161 0.000 0.790 409 A CB 1.477 20.555 19.000 0.129 0.000 1.273 409 A HN 1.581 nan 8.150 nan 0.000 0.452 410 G N 0.394 109.408 108.800 0.358 0.000 2.732 410 G HA2 0.518 4.478 3.960 0.000 0.000 0.296 410 G HA3 0.518 4.478 3.960 0.000 0.000 0.296 410 G C -1.458 173.599 174.900 0.261 0.000 1.448 410 G CA -0.609 44.700 45.100 0.348 0.000 0.911 410 G HN 0.761 nan 8.290 nan 0.000 0.528 411 K N 1.131 121.577 120.400 0.076 0.000 2.207 411 K HA 0.641 4.961 4.320 0.000 0.000 0.255 411 K C -0.422 176.132 176.600 -0.077 0.000 0.941 411 K CA -0.660 55.650 56.287 0.039 0.000 0.825 411 K CB 2.081 34.604 32.500 0.038 0.000 1.119 411 K HN 0.250 nan 8.250 nan 0.000 0.430 412 V N 5.926 125.808 119.914 -0.054 0.000 2.455 412 V HA 0.152 4.272 4.120 0.000 0.000 0.273 412 V C 0.255 176.313 176.094 -0.060 0.000 1.045 412 V CA -0.397 61.844 62.300 -0.098 0.000 0.976 412 V CB 0.436 32.245 31.823 -0.025 0.000 0.993 412 V HN 0.659 nan 8.190 nan 0.000 0.475 413 L N 7.574 128.749 121.223 -0.080 0.000 2.379 413 L HA 0.445 4.785 4.340 0.000 0.000 0.269 413 L C -2.152 174.686 176.870 -0.053 0.000 1.084 413 L CA -1.929 52.880 54.840 -0.053 0.000 0.802 413 L CB 1.183 43.210 42.059 -0.053 0.000 1.175 413 L HN 0.392 nan 8.230 nan 0.000 0.448 414 P HA 0.041 nan 4.420 nan 0.000 0.269 414 P C -0.590 176.677 177.300 -0.054 0.000 1.209 414 P CA -0.274 62.801 63.100 -0.042 0.000 0.776 414 P CB 0.526 32.210 31.700 -0.028 0.000 0.876 415 A N 3.309 126.087 122.820 -0.069 0.000 2.448 415 A HA 0.146 4.466 4.320 0.000 0.000 0.239 415 A C 0.614 178.166 177.584 -0.053 0.000 1.080 415 A CA -0.204 51.785 52.037 -0.080 0.000 0.779 415 A CB -0.645 18.288 19.000 -0.111 0.000 1.026 415 A HN 0.527 nan 8.150 nan 0.000 0.499 416 L N 0.000 121.197 121.223 -0.043 0.000 2.949 416 L HA 0.000 4.340 4.340 0.000 0.000 0.249 416 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 416 L CB 0.000 42.062 42.059 0.004 0.000 0.961 416 L HN 0.000 nan 8.230 nan 0.000 0.502