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 1nbw_1_C DATA FIRST_RESID 3 DATA SEQUENCE LIAGIDIGNA TTEVALASDY PQARAFVASG IVATTGMKGT RDNIAGTLAA DATA SEQUENCE LEQALAKTPW SMSDVSRIYL NEAAPVIGDV AMETITETII TESTMIGHNP DATA SEQUENCE QTPGGVGVGV GTTIALGRLA TLPAAQYAEG WIVLIDDAVD FLDAVWWLNE DATA SEQUENCE ALDRGINVVA AILKKDDGVL VNNRLRKTLP VVDEVTLLEQ VPEGVMAAVE DATA SEQUENCE VAAPGQVVRI LSNPYGIATF FGLSPEETQA IVPIARALIG NRSAVVLKTP DATA SEQUENCE QGDVQSRVIP AGNLYISGEK RRGEADVAEG AEAIMQAMSA CAPVRDIRGE DATA SEQUENCE PGTHAGGMLE RVRKVMASLT GHEMSAIYIQ DLLAVDTFIP RKVQGGMAGE DATA SEQUENCE CAMENAVGMA AMVKADRLQM QVIARELSAR LQTEVVVGGV EANMAIAGAL DATA SEQUENCE TTPGCAAPLA ILDLGAGSTD AAIVNAEGQI TAVHLAGAGN MVSLLIKTEL DATA SEQUENCE GLEDLSLAEA IKKYPLAKVE SLFSIRHENG AVEFFREALS PAVFAKVVYI DATA SEQUENCE KEGELVPIDN ASPLEKIRLV RRQAKEKVFV TNCLRALRQV SPGGSIRDIA DATA SEQUENCE FVVLVGGSSL DFEIPQLITE ALSHYGVVAG QGNIRGTEGP RNAVATGLLL DATA SEQUENCE AGQA 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.798 176.870 -0.119 0.000 1.165 3 L CA 0.000 54.710 54.840 -0.217 0.000 0.813 3 L CB 0.000 41.834 42.059 -0.375 0.000 0.961 4 I N 2.714 123.242 120.570 -0.070 0.000 2.647 4 I HA 0.729 4.899 4.170 -0.000 0.000 0.295 4 I C 0.084 176.202 176.117 0.001 0.000 1.078 4 I CA -0.588 60.702 61.300 -0.017 0.000 1.048 4 I CB 1.950 39.925 38.000 -0.041 0.000 1.239 4 I HN 0.591 nan 8.210 nan 0.000 0.421 5 A N 3.081 125.930 122.820 0.049 0.000 2.355 5 A HA 0.864 5.184 4.320 -0.000 0.000 0.317 5 A C -0.060 177.577 177.584 0.087 0.000 1.094 5 A CA -0.548 51.520 52.037 0.052 0.000 0.764 5 A CB 1.587 20.617 19.000 0.051 0.000 1.230 5 A HN 0.888 nan 8.150 nan 0.000 0.448 6 G N 1.125 109.957 108.800 0.053 0.000 2.370 6 G HA2 0.574 4.534 3.960 -0.000 0.000 0.317 6 G HA3 0.574 4.534 3.960 -0.000 0.000 0.317 6 G C -0.764 174.174 174.900 0.063 0.000 1.162 6 G CA -0.327 44.814 45.100 0.068 0.000 0.922 6 G HN 0.632 nan 8.290 nan 0.000 0.454 7 I N 2.144 122.760 120.570 0.076 0.000 2.418 7 I HA 0.254 4.424 4.170 -0.000 0.000 0.287 7 I C -1.237 174.910 176.117 0.049 0.000 1.008 7 I CA -0.769 60.563 61.300 0.054 0.000 1.104 7 I CB 2.362 40.391 38.000 0.049 0.000 1.264 7 I HN 0.326 nan 8.210 nan 0.000 0.438 8 D N 7.719 128.143 120.400 0.040 0.000 2.381 8 D HA 0.423 5.062 4.640 -0.000 0.000 0.235 8 D C -0.581 175.738 176.300 0.032 0.000 1.068 8 D CA -0.292 53.729 54.000 0.036 0.000 0.832 8 D CB 1.233 42.053 40.800 0.033 0.000 1.101 8 D HN 0.349 nan 8.370 nan 0.000 0.515 9 I N 3.906 124.494 120.570 0.030 0.000 2.317 9 I HA 0.355 4.525 4.170 -0.000 0.000 0.286 9 I C 1.238 177.372 176.117 0.028 0.000 1.119 9 I CA -0.718 60.598 61.300 0.027 0.000 1.228 9 I CB 0.992 39.006 38.000 0.023 0.000 1.476 9 I HN 0.308 nan 8.210 nan 0.000 0.514 10 G N 3.252 112.070 108.800 0.030 0.000 2.616 10 G HA2 0.069 4.029 3.960 -0.000 0.000 0.268 10 G HA3 0.069 4.029 3.960 -0.000 0.000 0.268 10 G C 0.466 175.384 174.900 0.032 0.000 1.213 10 G CA -0.400 44.719 45.100 0.033 0.000 0.926 10 G HN 0.597 nan 8.290 nan 0.000 0.523 11 N N -0.380 118.342 118.700 0.036 0.000 2.244 11 N HA -0.011 4.729 4.740 -0.000 0.000 0.183 11 N C 2.143 177.671 175.510 0.031 0.000 1.016 11 N CA 1.190 54.260 53.050 0.033 0.000 0.866 11 N CB 0.121 38.631 38.487 0.039 0.000 0.980 11 N HN 0.481 nan 8.380 nan 0.000 0.430 12 A N 0.020 122.859 122.820 0.031 0.000 1.944 12 A HA 0.140 4.460 4.320 -0.000 0.000 0.209 12 A C 1.019 178.618 177.584 0.026 0.000 1.328 12 A CA 0.797 52.851 52.037 0.029 0.000 0.693 12 A CB -0.293 18.725 19.000 0.029 0.000 0.994 12 A HN 0.289 nan 8.150 nan 0.000 0.485 13 T N -2.712 111.858 114.554 0.025 0.000 2.887 13 T HA 0.585 4.935 4.350 -0.000 0.000 0.288 13 T C -0.787 173.928 174.700 0.025 0.000 1.021 13 T CA -0.447 61.667 62.100 0.024 0.000 1.000 13 T CB 1.664 70.546 68.868 0.022 0.000 1.034 13 T HN -0.038 nan 8.240 nan 0.000 0.467 14 T N 3.130 117.699 114.554 0.025 0.000 2.770 14 T HA 0.395 4.745 4.350 -0.000 0.000 0.297 14 T C -0.338 174.378 174.700 0.026 0.000 0.997 14 T CA -0.634 61.481 62.100 0.026 0.000 0.949 14 T CB 0.406 69.289 68.868 0.025 0.000 0.941 14 T HN 0.661 nan 8.240 nan 0.000 0.457 15 E N 1.940 122.156 120.200 0.027 0.000 2.221 15 E HA 0.691 5.041 4.350 -0.000 0.000 0.268 15 E C -0.974 175.644 176.600 0.031 0.000 0.933 15 E CA -1.081 55.335 56.400 0.027 0.000 0.809 15 E CB 2.285 32.000 29.700 0.024 0.000 1.190 15 E HN 0.209 nan 8.360 nan 0.000 0.406 16 V N 0.863 120.796 119.914 0.032 0.000 2.656 16 V HA 0.593 4.713 4.120 -0.000 0.000 0.307 16 V C -0.854 175.260 176.094 0.034 0.000 1.051 16 V CA -0.755 61.566 62.300 0.035 0.000 0.893 16 V CB 1.740 33.586 31.823 0.038 0.000 0.999 16 V HN 0.809 nan 8.190 nan 0.000 0.426 17 A N 5.033 127.872 122.820 0.031 0.000 2.483 17 A HA 0.774 5.094 4.320 -0.000 0.000 0.308 17 A C -1.111 176.490 177.584 0.027 0.000 1.291 17 A CA -0.342 51.711 52.037 0.027 0.000 0.774 17 A CB 0.690 19.697 19.000 0.012 0.000 1.134 17 A HN 0.789 nan 8.150 nan 0.000 0.471 18 L N 2.478 123.727 121.223 0.044 0.000 2.322 18 L HA 0.913 5.253 4.340 -0.000 0.000 0.279 18 L C -0.030 176.877 176.870 0.060 0.000 1.036 18 L CA 0.294 55.163 54.840 0.048 0.000 0.807 18 L CB 1.558 43.656 42.059 0.066 0.000 1.226 18 L HN 1.057 nan 8.230 nan 0.000 0.433 19 A N 2.555 125.400 122.820 0.042 0.000 2.582 19 A HA 0.540 4.860 4.320 -0.000 0.000 0.297 19 A C -1.246 176.354 177.584 0.027 0.000 1.059 19 A CA -0.349 51.725 52.037 0.063 0.000 0.705 19 A CB 1.304 20.336 19.000 0.053 0.000 1.279 19 A HN 0.583 nan 8.150 nan 0.000 0.404 20 S N 1.535 117.280 115.700 0.075 0.000 2.512 20 S HA 0.422 4.892 4.470 -0.000 0.000 0.291 20 S C -0.539 174.110 174.600 0.083 0.000 1.151 20 S CA -0.413 57.798 58.200 0.018 0.000 1.120 20 S CB -0.195 63.031 63.200 0.044 0.000 1.029 20 S HN 0.700 nan 8.310 nan 0.000 0.485 21 D N 2.622 123.018 120.400 -0.006 0.000 2.362 21 D HA 0.312 4.952 4.640 -0.000 0.000 0.242 21 D C -0.814 175.448 176.300 -0.064 0.000 1.132 21 D CA 0.440 54.461 54.000 0.034 0.000 0.907 21 D CB 0.398 41.187 40.800 -0.018 0.000 1.195 21 D HN 0.509 nan 8.370 nan 0.000 0.429 22 Y N 0.394 120.697 120.300 0.006 0.000 2.638 22 Y HA 0.336 4.886 4.550 -0.000 0.000 0.339 22 Y C -1.478 174.423 175.900 0.001 0.000 1.084 22 Y CA -1.648 56.458 58.100 0.010 0.000 1.068 22 Y CB 1.284 39.760 38.460 0.027 0.000 1.294 22 Y HN 0.311 nan 8.280 nan 0.000 0.480 23 P HA -0.097 nan 4.420 nan 0.000 0.214 23 P C -0.166 177.185 177.300 0.085 0.000 1.206 23 P CA 0.581 63.737 63.100 0.092 0.000 0.715 23 P CB 0.187 31.935 31.700 0.080 0.000 0.633 24 Q N 0.124 119.962 119.800 0.063 0.000 1.942 24 Q HA 0.194 4.534 4.340 -0.000 0.000 0.119 24 Q C -0.354 175.666 176.000 0.034 0.000 0.739 24 Q CA 0.616 56.441 55.803 0.037 0.000 1.050 24 Q CB -1.553 27.201 28.738 0.027 0.000 1.468 24 Q HN 0.246 nan 8.270 nan 0.000 0.324 25 A N 1.200 124.049 122.820 0.048 0.000 2.532 25 A HA 0.510 4.830 4.320 -0.000 0.000 0.296 25 A C -0.754 176.851 177.584 0.034 0.000 1.058 25 A CA -0.897 51.159 52.037 0.032 0.000 0.729 25 A CB 1.300 20.311 19.000 0.018 0.000 1.285 25 A HN 0.222 nan 8.150 nan 0.000 0.396 26 R N 1.578 122.070 120.500 -0.014 0.000 2.205 26 R HA 0.522 4.862 4.340 -0.000 0.000 0.342 26 R C 0.323 176.582 176.300 -0.068 0.000 1.058 26 R CA 0.090 56.152 56.100 -0.063 0.000 0.904 26 R CB 1.131 31.352 30.300 -0.133 0.000 1.089 26 R HN 0.860 nan 8.270 nan 0.000 0.471 27 A N 4.033 126.857 122.820 0.006 0.000 2.371 27 A HA 0.461 4.781 4.320 -0.000 0.000 0.257 27 A C -0.283 177.310 177.584 0.015 0.000 1.089 27 A CA -0.324 51.773 52.037 0.101 0.000 0.794 27 A CB 0.259 19.358 19.000 0.165 0.000 1.029 27 A HN 0.536 nan 8.150 nan 0.000 0.488 28 F N 0.432 120.416 119.950 0.056 0.000 2.378 28 F HA 0.460 4.987 4.527 -0.000 0.000 0.319 28 F C 0.530 176.360 175.800 0.049 0.000 1.155 28 F CA 0.019 58.045 58.000 0.043 0.000 1.157 28 F CB 1.236 40.260 39.000 0.040 0.000 1.252 28 F HN 0.261 nan 8.300 nan 0.000 0.550 29 V N 1.219 121.262 119.914 0.214 0.000 2.604 29 V HA 0.731 4.851 4.120 -0.000 0.000 0.305 29 V C -0.384 175.792 176.094 0.136 0.000 1.043 29 V CA -1.106 61.274 62.300 0.134 0.000 0.888 29 V CB 1.413 33.274 31.823 0.064 0.000 0.995 29 V HN 0.871 nan 8.190 nan 0.000 0.429 30 A N 3.273 126.162 122.820 0.115 0.000 2.292 30 A HA 0.857 5.177 4.320 -0.000 0.000 0.319 30 A C 0.029 177.657 177.584 0.072 0.000 1.206 30 A CA -0.324 51.770 52.037 0.096 0.000 0.835 30 A CB 1.046 20.109 19.000 0.104 0.000 1.164 30 A HN 0.754 nan 8.150 nan 0.000 0.505 31 S N -0.148 115.588 115.700 0.060 0.000 2.689 31 S HA 0.919 5.389 4.470 -0.000 0.000 0.306 31 S C 0.079 174.706 174.600 0.044 0.000 1.104 31 S CA -0.149 58.079 58.200 0.047 0.000 0.973 31 S CB 2.006 65.230 63.200 0.041 0.000 1.121 31 S HN 1.459 nan 8.310 nan 0.000 0.523 32 G N 0.333 109.156 108.800 0.038 0.000 2.733 32 G HA2 0.714 4.674 3.960 -0.000 0.000 0.297 32 G HA3 0.714 4.674 3.960 -0.000 0.000 0.297 32 G C -1.741 173.177 174.900 0.031 0.000 1.422 32 G CA -0.486 44.635 45.100 0.035 0.000 0.942 32 G HN 0.603 nan 8.290 nan 0.000 0.510 33 I N 0.680 121.268 120.570 0.029 0.000 2.722 33 I HA 0.608 4.778 4.170 -0.000 0.000 0.292 33 I C -0.518 175.615 176.117 0.026 0.000 1.267 33 I CA -1.221 60.094 61.300 0.027 0.000 1.036 33 I CB 2.482 40.497 38.000 0.025 0.000 1.281 33 I HN 0.614 nan 8.210 nan 0.000 0.423 34 V N 1.435 121.364 119.914 0.025 0.000 3.204 34 V HA 0.868 4.988 4.120 -0.000 0.000 0.298 34 V C -0.306 175.802 176.094 0.024 0.000 1.328 34 V CA -0.945 61.370 62.300 0.025 0.000 1.035 34 V CB 1.557 33.395 31.823 0.024 0.000 1.095 34 V HN 0.871 nan 8.190 nan 0.000 0.442 35 A N 1.149 123.983 122.820 0.024 0.000 2.477 35 A HA 0.553 4.873 4.320 -0.000 0.000 0.246 35 A C 0.640 178.238 177.584 0.023 0.000 1.078 35 A CA 0.373 52.424 52.037 0.024 0.000 0.770 35 A CB -0.308 18.706 19.000 0.024 0.000 1.011 35 A HN 1.224 nan 8.150 nan 0.000 0.494 36 T N 3.150 117.717 114.554 0.023 0.000 2.761 36 T HA 0.305 4.655 4.350 -0.000 0.000 0.287 36 T C 0.911 175.623 174.700 0.020 0.000 0.931 36 T CA 0.780 62.893 62.100 0.022 0.000 1.164 36 T CB -0.530 68.351 68.868 0.022 0.000 0.876 36 T HN 0.864 nan 8.240 nan 0.000 0.534 37 T N 1.951 116.516 114.554 0.019 0.000 2.916 37 T HA 0.502 4.852 4.350 -0.000 0.000 0.303 37 T C 0.988 175.697 174.700 0.015 0.000 1.025 37 T CA -0.241 61.870 62.100 0.017 0.000 1.142 37 T CB 0.536 69.413 68.868 0.016 0.000 0.947 37 T HN 1.066 nan 8.240 nan 0.000 0.544 38 G N 2.681 111.490 108.800 0.015 0.000 2.907 38 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.242 38 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.242 38 G C -0.124 174.783 174.900 0.013 0.000 1.448 38 G CA -0.212 44.895 45.100 0.013 0.000 0.911 38 G HN 1.223 nan 8.290 nan 0.000 0.553 39 M N 0.370 119.977 119.600 0.011 0.000 2.290 39 M HA 0.258 4.738 4.480 -0.000 0.000 0.356 39 M C 0.951 177.258 176.300 0.012 0.000 1.448 39 M CA 0.349 55.656 55.300 0.011 0.000 0.993 39 M CB 0.334 32.939 32.600 0.009 0.000 1.934 39 M HN 0.485 nan 8.290 nan 0.000 0.461 40 K N 3.369 123.777 120.400 0.014 0.000 2.382 40 K HA 0.325 4.645 4.320 -0.000 0.000 0.275 40 K C 0.940 177.547 176.600 0.012 0.000 1.009 40 K CA 1.129 57.425 56.287 0.014 0.000 0.970 40 K CB 0.328 32.839 32.500 0.017 0.000 0.934 40 K HN 0.937 nan 8.250 nan 0.000 0.479 41 G N 1.630 110.437 108.800 0.011 0.000 2.279 41 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.223 41 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.223 41 G C 0.414 175.317 174.900 0.005 0.000 1.015 41 G CA 0.462 45.567 45.100 0.008 0.000 0.621 41 G HN 0.776 nan 8.290 nan 0.000 0.506 42 T N -2.097 112.460 114.554 0.005 0.000 2.849 42 T HA 0.610 4.960 4.350 -0.000 0.000 0.276 42 T C 1.238 175.941 174.700 0.004 0.000 0.971 42 T CA 0.458 62.560 62.100 0.003 0.000 0.949 42 T CB 1.788 70.658 68.868 0.003 0.000 1.093 42 T HN 0.294 nan 8.240 nan 0.000 0.545 43 R N -0.051 120.450 120.500 0.003 0.000 2.152 43 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 43 R C 1.274 177.577 176.300 0.005 0.000 1.117 43 R CA 1.775 57.877 56.100 0.003 0.000 0.981 43 R CB -0.627 29.674 30.300 0.001 0.000 0.870 43 R HN 0.744 nan 8.270 nan 0.000 0.451 44 D N -0.116 120.288 120.400 0.006 0.000 2.218 44 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 44 D C 1.001 177.307 176.300 0.010 0.000 0.976 44 D CA 1.438 55.443 54.000 0.008 0.000 0.853 44 D CB -0.200 40.604 40.800 0.008 0.000 0.939 44 D HN 0.577 nan 8.370 nan 0.000 0.481 45 N N 0.454 119.161 118.700 0.011 0.000 2.434 45 N HA 0.011 4.751 4.740 -0.000 0.000 0.196 45 N C 1.069 176.586 175.510 0.013 0.000 1.183 45 N CA -0.012 53.046 53.050 0.013 0.000 0.849 45 N CB 0.049 38.545 38.487 0.014 0.000 0.992 45 N HN 0.197 nan 8.380 nan 0.000 0.460 46 I N 0.290 120.867 120.570 0.011 0.000 2.876 46 I HA -0.015 4.155 4.170 -0.000 0.000 0.264 46 I C 2.524 178.648 176.117 0.013 0.000 1.204 46 I CA 0.215 61.522 61.300 0.011 0.000 1.485 46 I CB -0.105 37.900 38.000 0.008 0.000 1.103 46 I HN 0.254 nan 8.210 nan 0.000 0.446 47 A N 1.425 124.253 122.820 0.013 0.000 1.845 47 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 47 A C 2.455 180.049 177.584 0.017 0.000 1.195 47 A CA 1.902 53.947 52.037 0.014 0.000 0.616 47 A CB -1.455 17.553 19.000 0.014 0.000 0.832 47 A HN 0.396 nan 8.150 nan 0.000 0.443 48 G N -1.068 107.742 108.800 0.017 0.000 2.476 48 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 48 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 48 G C 1.579 176.491 174.900 0.021 0.000 1.164 48 G CA 1.781 46.893 45.100 0.020 0.000 0.768 48 G HN 0.427 nan 8.290 nan 0.000 0.560 49 T N 1.217 115.783 114.554 0.020 0.000 2.685 49 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 49 T C 2.352 177.066 174.700 0.023 0.000 1.034 49 T CA 1.156 63.269 62.100 0.022 0.000 1.149 49 T CB -0.198 68.682 68.868 0.019 0.000 0.860 49 T HN 0.159 nan 8.240 nan 0.000 0.449 50 L N 0.197 121.433 121.223 0.021 0.000 2.131 50 L HA 0.030 4.370 4.340 -0.000 0.000 0.206 50 L C 3.025 179.910 176.870 0.025 0.000 1.087 50 L CA 0.926 55.780 54.840 0.022 0.000 0.767 50 L CB -0.652 41.419 42.059 0.019 0.000 0.917 50 L HN 0.249 nan 8.230 nan 0.000 0.441 51 A N 0.352 123.186 122.820 0.023 0.000 1.877 51 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 51 A C 2.547 180.147 177.584 0.028 0.000 1.186 51 A CA 1.757 53.809 52.037 0.024 0.000 0.620 51 A CB -0.719 18.295 19.000 0.022 0.000 0.822 51 A HN 0.381 nan 8.150 nan 0.000 0.443 52 A N -0.736 122.101 122.820 0.028 0.000 1.908 52 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 52 A C 2.132 179.736 177.584 0.034 0.000 1.181 52 A CA 1.882 53.937 52.037 0.030 0.000 0.627 52 A CB -0.598 18.419 19.000 0.029 0.000 0.818 52 A HN 0.628 nan 8.150 nan 0.000 0.445 53 L N -0.546 120.698 121.223 0.034 0.000 2.156 53 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 53 L C 2.174 179.070 176.870 0.044 0.000 1.095 53 L CA 1.822 56.685 54.840 0.039 0.000 0.770 53 L CB -0.494 41.587 42.059 0.036 0.000 0.914 53 L HN 0.336 nan 8.230 nan 0.000 0.439 54 E N -0.607 119.617 120.200 0.039 0.000 2.072 54 E HA -0.262 4.088 4.350 -0.000 0.000 0.190 54 E C 1.959 178.584 176.600 0.042 0.000 0.982 54 E CA 1.096 57.521 56.400 0.042 0.000 0.803 54 E CB -0.232 29.489 29.700 0.035 0.000 0.755 54 E HN 0.653 nan 8.360 nan 0.000 0.453 55 Q N 0.646 120.468 119.800 0.037 0.000 2.112 55 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 55 Q C 1.995 178.020 176.000 0.042 0.000 0.987 55 Q CA 1.992 57.816 55.803 0.036 0.000 0.858 55 Q CB -0.112 28.645 28.738 0.032 0.000 0.905 55 Q HN 0.193 nan 8.270 nan 0.000 0.420 56 A N 0.526 123.375 122.820 0.048 0.000 1.930 56 A HA -0.091 4.228 4.320 -0.000 0.000 0.217 56 A C 2.050 179.678 177.584 0.073 0.000 1.175 56 A CA 1.014 53.086 52.037 0.058 0.000 0.627 56 A CB -0.500 18.535 19.000 0.058 0.000 0.815 56 A HN 0.454 nan 8.150 nan 0.000 0.443 57 L N -0.852 120.417 121.223 0.076 0.000 2.156 57 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 57 L C 3.050 179.969 176.870 0.081 0.000 1.095 57 L CA 0.765 55.665 54.840 0.100 0.000 0.770 57 L CB -0.511 41.609 42.059 0.102 0.000 0.914 57 L HN 0.428 nan 8.230 nan 0.000 0.439 58 A N 0.481 123.334 122.820 0.055 0.000 1.948 58 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 58 A C 2.185 179.785 177.584 0.027 0.000 1.177 58 A CA 1.771 53.830 52.037 0.036 0.000 0.636 58 A CB -0.406 18.611 19.000 0.028 0.000 0.815 58 A HN 0.372 nan 8.150 nan 0.000 0.449 59 K N -0.261 120.160 120.400 0.035 0.000 2.555 59 K HA -0.008 4.312 4.320 -0.000 0.000 0.193 59 K C 0.599 177.210 176.600 0.018 0.000 1.032 59 K CA 0.982 57.284 56.287 0.024 0.000 1.004 59 K CB -0.238 32.284 32.500 0.036 0.000 0.804 59 K HN 0.741 nan 8.250 nan 0.000 0.496 60 T N -2.864 111.711 114.554 0.035 0.000 2.907 60 T HA 0.294 4.644 4.350 -0.000 0.000 0.290 60 T C -2.437 172.223 174.700 -0.067 0.000 1.066 60 T CA -1.779 60.328 62.100 0.012 0.000 1.012 60 T CB 2.041 71.002 68.868 0.155 0.000 1.184 60 T HN -0.245 nan 8.240 nan 0.000 0.522 61 P HA 0.225 nan 4.420 nan 0.000 0.255 61 P C -0.830 176.262 177.300 -0.347 0.000 1.301 61 P CA -0.193 62.686 63.100 -0.368 0.000 0.817 61 P CB -0.197 31.167 31.700 -0.559 0.000 1.259 62 W N 0.658 121.969 121.300 0.019 0.000 2.671 62 W HA 0.460 5.120 4.660 -0.000 0.000 0.360 62 W C 0.503 177.033 176.519 0.017 0.000 1.128 62 W CA -0.536 56.821 57.345 0.020 0.000 1.184 62 W CB 0.881 30.357 29.460 0.026 0.000 1.415 62 W HN -0.244 nan 8.180 nan 0.000 0.604 63 S N 0.153 116.023 115.700 0.283 0.000 2.709 63 S HA 0.360 4.830 4.470 -0.000 0.000 0.302 63 S C 0.428 175.098 174.600 0.116 0.000 1.127 63 S CA -0.779 57.513 58.200 0.155 0.000 0.905 63 S CB 1.550 64.819 63.200 0.113 0.000 1.151 63 S HN 0.524 nan 8.310 nan 0.000 0.510 64 M N 2.649 122.295 119.600 0.077 0.000 2.110 64 M HA -0.151 4.329 4.480 -0.000 0.000 0.257 64 M C 2.228 178.551 176.300 0.039 0.000 1.071 64 M CA 2.677 58.008 55.300 0.051 0.000 1.096 64 M CB -1.501 31.123 32.600 0.039 0.000 1.300 64 M HN 0.970 nan 8.290 nan 0.000 0.411 65 S N -1.014 114.710 115.700 0.041 0.000 2.488 65 S HA -0.186 4.284 4.470 -0.000 0.000 0.246 65 S C 1.647 176.258 174.600 0.018 0.000 0.992 65 S CA 1.745 59.962 58.200 0.029 0.000 0.963 65 S CB -0.838 62.384 63.200 0.036 0.000 0.754 65 S HN 0.636 nan 8.310 nan 0.000 0.519 66 D N 0.627 121.043 120.400 0.027 0.000 2.348 66 D HA 0.143 4.783 4.640 -0.000 0.000 0.211 66 D C 0.049 176.285 176.300 -0.107 0.000 0.998 66 D CA 0.151 54.132 54.000 -0.033 0.000 0.873 66 D CB 0.341 41.150 40.800 0.015 0.000 0.925 66 D HN 0.290 nan 8.370 nan 0.000 0.524 67 V N 1.548 121.429 119.914 -0.054 0.000 2.599 67 V HA -0.057 4.062 4.120 -0.000 0.000 0.300 67 V C 1.614 177.670 176.094 -0.064 0.000 1.034 67 V CA 0.429 62.693 62.300 -0.061 0.000 1.115 67 V CB 1.448 33.261 31.823 -0.017 0.000 0.934 67 V HN 0.018 nan 8.190 nan 0.000 0.485 68 S N 4.718 120.371 115.700 -0.078 0.000 2.427 68 S HA 0.251 4.721 4.470 -0.000 0.000 0.224 68 S C 0.798 175.383 174.600 -0.025 0.000 1.047 68 S CA 0.301 58.463 58.200 -0.064 0.000 0.953 68 S CB 0.170 63.315 63.200 -0.092 0.000 0.824 68 S HN 0.757 nan 8.310 nan 0.000 0.502 69 R N -0.149 120.356 120.500 0.008 0.000 2.643 69 R HA 0.546 4.886 4.340 -0.000 0.000 0.269 69 R C -1.788 174.571 176.300 0.098 0.000 1.037 69 R CA -0.472 55.656 56.100 0.047 0.000 0.894 69 R CB 1.801 32.178 30.300 0.129 0.000 1.238 69 R HN 0.245 nan 8.270 nan 0.000 0.459 70 I N 2.296 122.898 120.570 0.053 0.000 2.465 70 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 70 I C -1.195 174.946 176.117 0.040 0.000 1.014 70 I CA -0.836 60.518 61.300 0.089 0.000 1.093 70 I CB 1.658 39.674 38.000 0.026 0.000 1.267 70 I HN 0.448 nan 8.210 nan 0.000 0.431 71 Y N 6.235 126.528 120.300 -0.010 0.000 2.356 71 Y HA 0.458 5.008 4.550 -0.000 0.000 0.334 71 Y C -0.339 175.559 175.900 -0.003 0.000 0.958 71 Y CA -0.631 57.465 58.100 -0.008 0.000 1.196 71 Y CB 1.475 39.930 38.460 -0.009 0.000 1.137 71 Y HN 0.345 nan 8.280 nan 0.000 0.485 72 L N 3.950 125.201 121.223 0.047 0.000 2.334 72 L HA 0.559 4.899 4.340 -0.000 0.000 0.275 72 L C -0.810 176.084 176.870 0.041 0.000 1.036 72 L CA -0.469 54.394 54.840 0.039 0.000 0.807 72 L CB 1.484 43.546 42.059 0.005 0.000 1.231 72 L HN 0.701 nan 8.230 nan 0.000 0.438 73 N N 1.743 120.468 118.700 0.042 0.000 2.371 73 N HA 0.411 5.151 4.740 -0.000 0.000 0.291 73 N C -1.740 173.788 175.510 0.030 0.000 1.053 73 N CA -0.419 52.654 53.050 0.038 0.000 0.870 73 N CB 1.460 39.974 38.487 0.046 0.000 1.503 73 N HN 0.634 nan 8.380 nan 0.000 0.485 74 E N 2.075 122.290 120.200 0.025 0.000 2.149 74 E HA 0.468 4.818 4.350 -0.000 0.000 0.255 74 E C -0.674 175.941 176.600 0.025 0.000 0.888 74 E CA -0.849 55.565 56.400 0.022 0.000 0.742 74 E CB 1.394 31.103 29.700 0.015 0.000 1.164 74 E HN 0.682 nan 8.360 nan 0.000 0.422 75 A N 2.624 125.462 122.820 0.031 0.000 2.531 75 A HA 0.389 4.709 4.320 -0.000 0.000 0.236 75 A C 0.472 178.072 177.584 0.026 0.000 1.062 75 A CA 0.019 52.079 52.037 0.038 0.000 0.760 75 A CB 0.246 19.273 19.000 0.046 0.000 0.995 75 A HN 0.684 nan 8.150 nan 0.000 0.501 76 A N 4.358 127.190 122.820 0.019 0.000 2.488 76 A HA 0.510 4.830 4.320 -0.000 0.000 0.249 76 A C -2.266 175.316 177.584 -0.003 0.000 1.083 76 A CA -1.053 50.982 52.037 -0.004 0.000 0.768 76 A CB -0.580 18.396 19.000 -0.040 0.000 1.017 76 A HN 0.629 nan 8.150 nan 0.000 0.496 77 P HA 0.234 nan 4.420 nan 0.000 0.265 77 P C -0.839 176.460 177.300 -0.002 0.000 1.193 77 P CA 0.153 63.258 63.100 0.008 0.000 0.765 77 P CB 0.758 32.464 31.700 0.011 0.000 0.823 78 V N 5.625 125.546 119.914 0.012 0.000 2.483 78 V HA 0.389 4.509 4.120 -0.000 0.000 0.297 78 V C 0.135 176.243 176.094 0.023 0.000 1.027 78 V CA -0.408 61.900 62.300 0.014 0.000 0.855 78 V CB 1.555 33.404 31.823 0.044 0.000 0.995 78 V HN 0.407 nan 8.190 nan 0.000 0.424 79 I N 3.853 124.434 120.570 0.018 0.000 2.404 79 I HA 0.755 4.925 4.170 -0.000 0.000 0.293 79 I C 0.671 176.799 176.117 0.019 0.000 0.992 79 I CA -0.141 61.170 61.300 0.018 0.000 1.149 79 I CB 1.958 39.967 38.000 0.015 0.000 1.315 79 I HN 0.736 nan 8.210 nan 0.000 0.446 80 G N 3.655 112.466 108.800 0.018 0.000 2.569 80 G HA2 0.611 4.571 3.960 -0.000 0.000 0.300 80 G HA3 0.611 4.571 3.960 -0.000 0.000 0.300 80 G C -1.879 173.026 174.900 0.008 0.000 1.269 80 G CA -0.142 44.966 45.100 0.013 0.000 0.959 80 G HN 0.484 nan 8.290 nan 0.000 0.478 81 D N -1.622 118.780 120.400 0.002 0.000 2.639 81 D HA 0.577 5.217 4.640 -0.000 0.000 0.271 81 D C -0.766 175.528 176.300 -0.009 0.000 1.254 81 D CA -0.103 53.897 54.000 -0.000 0.000 0.810 81 D CB 2.276 43.080 40.800 0.005 0.000 1.351 81 D HN 0.784 nan 8.370 nan 0.000 0.427 82 V N -2.013 117.894 119.914 -0.011 0.000 3.130 82 V HA 1.074 5.194 4.120 -0.000 0.000 0.310 82 V C -1.020 175.062 176.094 -0.019 0.000 1.158 82 V CA -0.616 61.670 62.300 -0.022 0.000 1.029 82 V CB 1.213 33.016 31.823 -0.033 0.000 1.057 82 V HN 0.881 nan 8.190 nan 0.000 0.436 83 A N 2.758 125.561 122.820 -0.028 0.000 2.609 83 A HA 0.978 5.298 4.320 -0.000 0.000 0.291 83 A C -1.156 176.394 177.584 -0.057 0.000 1.096 83 A CA -0.553 51.466 52.037 -0.030 0.000 0.684 83 A CB 2.092 21.102 19.000 0.017 0.000 1.282 83 A HN 1.746 nan 8.150 nan 0.000 0.412 84 M N 1.225 120.765 119.600 -0.101 0.000 2.267 84 M HA 0.544 5.024 4.480 -0.000 0.000 0.289 84 M C -1.697 174.544 176.300 -0.098 0.000 1.043 84 M CA -0.021 55.215 55.300 -0.108 0.000 0.928 84 M CB 1.895 34.416 32.600 -0.132 0.000 1.613 84 M HN 0.599 nan 8.290 nan 0.000 0.450 85 E N 2.977 123.158 120.200 -0.033 0.000 2.187 85 E HA 0.437 4.787 4.350 -0.000 0.000 0.268 85 E C -0.967 175.629 176.600 -0.007 0.000 0.896 85 E CA -0.467 55.948 56.400 0.026 0.000 0.766 85 E CB 1.859 31.579 29.700 0.033 0.000 1.142 85 E HN 0.661 nan 8.360 nan 0.000 0.408 86 T N 3.136 117.700 114.554 0.016 0.000 2.817 86 T HA 0.288 4.638 4.350 -0.000 0.000 0.293 86 T C 1.340 176.037 174.700 -0.005 0.000 0.964 86 T CA -0.315 61.783 62.100 -0.003 0.000 1.085 86 T CB 0.150 69.027 68.868 0.015 0.000 0.921 86 T HN 0.462 nan 8.240 nan 0.000 0.502 87 I N 0.374 120.928 120.570 -0.028 0.000 4.009 87 I HA 0.344 4.514 4.170 -0.000 0.000 0.331 87 I C 0.356 176.461 176.117 -0.019 0.000 1.462 87 I CA -0.592 60.692 61.300 -0.027 0.000 1.117 87 I CB 0.219 38.191 38.000 -0.046 0.000 1.091 87 I HN 0.574 nan 8.210 nan 0.000 0.410 88 T N -1.147 113.402 114.554 -0.009 0.000 2.821 88 T HA 0.657 5.007 4.350 -0.000 0.000 0.306 88 T C -0.984 173.725 174.700 0.016 0.000 1.313 88 T CA -0.596 61.506 62.100 0.004 0.000 1.012 88 T CB 2.788 71.660 68.868 0.008 0.000 1.298 88 T HN 0.488 nan 8.240 nan 0.000 0.502 89 E N -0.064 120.148 120.200 0.020 0.000 2.413 89 E HA 0.643 4.993 4.350 -0.000 0.000 0.277 89 E C -1.597 175.018 176.600 0.026 0.000 0.958 89 E CA -1.095 55.320 56.400 0.024 0.000 0.779 89 E CB 2.054 31.767 29.700 0.020 0.000 1.278 89 E HN 0.537 nan 8.360 nan 0.000 0.456 90 T N 1.993 116.564 114.554 0.028 0.000 2.812 90 T HA 0.541 4.891 4.350 -0.000 0.000 0.282 90 T C -0.513 174.202 174.700 0.025 0.000 0.990 90 T CA -0.488 61.629 62.100 0.028 0.000 0.960 90 T CB 0.496 69.384 68.868 0.033 0.000 0.948 90 T HN 0.361 nan 8.240 nan 0.000 0.438 91 I N 3.452 124.036 120.570 0.022 0.000 2.498 91 I HA 0.477 4.647 4.170 -0.000 0.000 0.290 91 I C -0.623 175.507 176.117 0.021 0.000 1.032 91 I CA -0.912 60.401 61.300 0.021 0.000 1.073 91 I CB 2.199 40.209 38.000 0.018 0.000 1.251 91 I HN 0.471 nan 8.210 nan 0.000 0.426 92 I N 5.353 125.935 120.570 0.021 0.000 2.307 92 I HA 0.196 4.366 4.170 -0.000 0.000 0.289 92 I C 0.434 176.563 176.117 0.021 0.000 1.021 92 I CA -0.271 61.043 61.300 0.023 0.000 1.224 92 I CB 1.459 39.474 38.000 0.025 0.000 1.376 92 I HN 0.592 nan 8.210 nan 0.000 0.470 93 T N 2.230 116.797 114.554 0.022 0.000 2.882 93 T HA 0.262 4.612 4.350 -0.000 0.000 0.287 93 T C 0.340 175.052 174.700 0.020 0.000 0.992 93 T CA -0.566 61.545 62.100 0.019 0.000 1.076 93 T CB 1.429 70.308 68.868 0.018 0.000 0.961 93 T HN 0.542 nan 8.240 nan 0.000 0.490 94 E N 1.227 121.436 120.200 0.015 0.000 2.199 94 E HA -0.206 4.144 4.350 -0.000 0.000 0.208 94 E C 0.353 176.963 176.600 0.017 0.000 1.310 94 E CA 1.014 57.422 56.400 0.014 0.000 0.709 94 E CB -2.314 27.393 29.700 0.011 0.000 1.127 94 E HN 1.033 nan 8.360 nan 0.000 0.354 95 S N -2.077 113.633 115.700 0.017 0.000 3.427 95 S HA -0.286 4.184 4.470 -0.000 0.000 0.373 95 S C 1.117 175.735 174.600 0.031 0.000 0.973 95 S CA 1.213 59.425 58.200 0.020 0.000 1.218 95 S CB -1.239 61.970 63.200 0.015 0.000 0.912 95 S HN 0.539 nan 8.310 nan 0.000 0.483 96 T N 0.189 114.765 114.554 0.038 0.000 3.113 96 T HA 0.347 4.697 4.350 -0.000 0.000 0.256 96 T C 0.464 175.211 174.700 0.078 0.000 1.131 96 T CA 1.075 63.209 62.100 0.057 0.000 1.074 96 T CB -0.312 68.592 68.868 0.059 0.000 0.944 96 T HN 0.767 nan 8.240 nan 0.000 0.516 97 M N -0.789 118.850 119.600 0.065 0.000 2.773 97 M HA 0.565 5.045 4.480 -0.000 0.000 0.270 97 M C -2.219 174.119 176.300 0.064 0.000 1.238 97 M CA -1.035 54.309 55.300 0.074 0.000 0.832 97 M CB 1.947 34.589 32.600 0.070 0.000 1.672 97 M HN -0.225 nan 8.290 nan 0.000 0.480 98 I N 0.838 121.457 120.570 0.082 0.000 2.529 98 I HA 0.560 4.729 4.170 -0.000 0.000 0.284 98 I C -0.192 176.017 176.117 0.154 0.000 1.088 98 I CA -0.547 60.814 61.300 0.102 0.000 1.062 98 I CB 2.346 40.408 38.000 0.104 0.000 1.218 98 I HN 1.054 nan 8.210 nan 0.000 0.442 99 G N 4.468 113.370 108.800 0.169 0.000 4.683 99 G HA2 0.077 4.037 3.960 -0.000 0.000 0.273 99 G HA3 0.077 4.037 3.960 -0.000 0.000 0.273 99 G C 0.781 175.782 174.900 0.167 0.000 1.065 99 G CA -0.231 44.955 45.100 0.143 0.000 0.837 99 G HN 0.784 nan 8.290 nan 0.000 0.526 100 H N -0.275 118.803 119.070 0.014 0.000 2.547 100 H HA 0.023 4.579 4.556 -0.000 0.000 0.272 100 H C 0.974 176.307 175.328 0.008 0.000 0.989 100 H CA 0.286 56.340 56.048 0.011 0.000 1.214 100 H CB -0.163 29.606 29.762 0.011 0.000 1.389 100 H HN 0.324 nan 8.280 nan 0.000 0.577 101 N N 1.677 120.201 118.700 -0.293 0.000 2.688 101 N HA -0.110 4.630 4.740 -0.000 0.000 0.258 101 N C -2.289 173.049 175.510 -0.285 0.000 1.016 101 N CA 0.552 53.451 53.050 -0.251 0.000 0.747 101 N CB -0.739 37.690 38.487 -0.097 0.000 0.895 101 N HN 0.449 nan 8.380 nan 0.000 0.543 102 P HA -0.089 nan 4.420 nan 0.000 0.267 102 P C 0.333 177.555 177.300 -0.130 0.000 1.201 102 P CA 0.244 63.189 63.100 -0.259 0.000 0.775 102 P CB 0.611 32.156 31.700 -0.259 0.000 0.854 103 Q N 0.415 120.172 119.800 -0.071 0.000 2.245 103 Q HA -0.022 4.318 4.340 -0.000 0.000 0.201 103 Q C 0.698 176.674 176.000 -0.040 0.000 0.955 103 Q CA 1.410 57.185 55.803 -0.047 0.000 0.870 103 Q CB -0.085 28.637 28.738 -0.027 0.000 0.945 103 Q HN 0.639 nan 8.270 nan 0.000 0.461 104 T N -0.592 113.938 114.554 -0.040 0.000 3.466 104 T HA 0.339 4.689 4.350 -0.000 0.000 0.297 104 T C -2.651 172.027 174.700 -0.037 0.000 1.640 104 T CA -1.770 60.309 62.100 -0.034 0.000 1.631 104 T CB 0.969 69.819 68.868 -0.031 0.000 0.928 104 T HN -0.083 nan 8.240 nan 0.000 0.688 105 P HA 0.422 nan 4.420 nan 0.000 0.274 105 P C 0.460 177.746 177.300 -0.023 0.000 1.237 105 P CA 0.047 63.128 63.100 -0.032 0.000 0.793 105 P CB 1.016 32.693 31.700 -0.039 0.000 0.977 106 G N -0.112 108.678 108.800 -0.016 0.000 2.451 106 G HA2 0.522 4.482 3.960 -0.000 0.000 0.303 106 G HA3 0.522 4.482 3.960 -0.000 0.000 0.303 106 G C 0.386 175.285 174.900 -0.002 0.000 1.166 106 G CA -0.009 45.083 45.100 -0.012 0.000 0.884 106 G HN 0.796 nan 8.290 nan 0.000 0.514 107 G N -1.332 107.468 108.800 0.001 0.000 2.578 107 G HA2 0.168 4.128 3.960 -0.000 0.000 0.275 107 G HA3 0.168 4.128 3.960 -0.000 0.000 0.275 107 G C 0.016 174.920 174.900 0.007 0.000 1.271 107 G CA 0.707 45.811 45.100 0.008 0.000 0.941 107 G HN 1.996 nan 8.290 nan 0.000 0.564 108 V N -1.280 118.642 119.914 0.012 0.000 3.300 108 V HA 0.833 4.953 4.120 -0.000 0.000 0.289 108 V C 0.631 176.736 176.094 0.018 0.000 1.533 108 V CA 1.407 63.715 62.300 0.013 0.000 1.059 108 V CB 1.474 33.304 31.823 0.011 0.000 1.161 108 V HN 3.208 nan 8.190 nan 0.000 0.462 109 G N 1.178 109.991 108.800 0.022 0.000 2.422 109 G HA2 0.298 4.258 3.960 -0.000 0.000 0.607 109 G HA3 0.298 4.258 3.960 -0.000 0.000 0.607 109 G C -1.471 173.450 174.900 0.035 0.000 1.270 109 G CA -0.089 45.028 45.100 0.029 0.000 0.992 109 G HN 1.600 nan 8.290 nan 0.000 0.499 110 V N -0.056 119.881 119.914 0.039 0.000 2.823 110 V HA 0.955 5.075 4.120 -0.000 0.000 0.312 110 V C 0.735 176.810 176.094 -0.030 0.000 1.072 110 V CA 0.174 62.497 62.300 0.038 0.000 0.937 110 V CB 1.918 33.820 31.823 0.132 0.000 1.013 110 V HN 2.178 nan 8.190 nan 0.000 0.430 111 G N 1.498 110.235 108.800 -0.105 0.000 2.731 111 G HA2 0.652 4.612 3.960 -0.000 0.000 0.298 111 G HA3 0.652 4.612 3.960 -0.000 0.000 0.298 111 G C -1.852 172.876 174.900 -0.285 0.000 1.424 111 G CA -0.461 44.544 45.100 -0.157 0.000 1.029 111 G HN 0.583 nan 8.290 nan 0.000 0.518 112 V N 1.016 120.720 119.914 -0.350 0.000 2.588 112 V HA 0.991 5.111 4.120 -0.000 0.000 0.304 112 V C 0.634 176.593 176.094 -0.224 0.000 1.042 112 V CA 0.450 62.530 62.300 -0.367 0.000 0.877 112 V CB 1.098 32.565 31.823 -0.593 0.000 0.996 112 V HN 1.423 nan 8.190 nan 0.000 0.425 113 G N 2.934 111.633 108.800 -0.168 0.000 2.510 113 G HA2 0.565 4.525 3.960 -0.000 0.000 0.277 113 G HA3 0.565 4.525 3.960 -0.000 0.000 0.277 113 G C -1.032 173.744 174.900 -0.207 0.000 1.223 113 G CA -0.271 44.685 45.100 -0.239 0.000 0.887 113 G HN 0.519 nan 8.290 nan 0.000 0.485 114 T N 1.169 115.550 114.554 -0.288 0.000 2.829 114 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 114 T C 0.307 175.071 174.700 0.106 0.000 0.999 114 T CA -0.039 61.979 62.100 -0.136 0.000 0.983 114 T CB 1.331 70.043 68.868 -0.260 0.000 0.968 114 T HN 0.925 nan 8.240 nan 0.000 0.446 115 T N 1.232 115.857 114.554 0.118 0.000 2.919 115 T HA 0.658 5.008 4.350 -0.000 0.000 0.302 115 T C -0.112 174.720 174.700 0.220 0.000 1.031 115 T CA -0.648 61.544 62.100 0.153 0.000 1.127 115 T CB 0.338 69.259 68.868 0.088 0.000 0.952 115 T HN 0.646 nan 8.240 nan 0.000 0.540 116 I N 1.066 121.752 120.570 0.192 0.000 2.743 116 I HA 0.571 4.741 4.170 -0.000 0.000 0.292 116 I C -0.394 175.757 176.117 0.058 0.000 1.343 116 I CA -1.187 60.183 61.300 0.117 0.000 1.038 116 I CB 1.661 39.701 38.000 0.067 0.000 1.311 116 I HN 1.023 nan 8.210 nan 0.000 0.426 117 A N 5.466 128.301 122.820 0.025 0.000 2.498 117 A HA 0.170 4.490 4.320 -0.000 0.000 0.239 117 A C 0.769 178.368 177.584 0.024 0.000 1.068 117 A CA -0.094 51.960 52.037 0.028 0.000 0.766 117 A CB 0.481 19.491 19.000 0.017 0.000 1.003 117 A HN 0.920 nan 8.150 nan 0.000 0.497 118 L N 3.462 124.726 121.223 0.069 0.000 2.081 118 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 118 L C 2.229 179.166 176.870 0.112 0.000 1.080 118 L CA 2.882 57.794 54.840 0.120 0.000 0.754 118 L CB -0.822 41.348 42.059 0.184 0.000 0.893 118 L HN 0.779 nan 8.230 nan 0.000 0.433 119 G N -1.119 107.738 108.800 0.095 0.000 2.498 119 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 119 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 119 G C 1.610 176.445 174.900 -0.108 0.000 1.119 119 G CA 0.535 45.647 45.100 0.019 0.000 0.766 119 G HN 0.462 nan 8.290 nan 0.000 0.552 120 R N -0.892 119.545 120.500 -0.105 0.000 2.362 120 R HA 0.267 4.607 4.340 -0.000 0.000 0.227 120 R C 1.829 177.992 176.300 -0.228 0.000 0.905 120 R CA -0.407 55.600 56.100 -0.155 0.000 1.067 120 R CB -0.029 30.198 30.300 -0.122 0.000 1.078 120 R HN 0.268 nan 8.270 nan 0.000 0.516 121 L N 1.147 122.231 121.223 -0.231 0.000 2.131 121 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 121 L C 2.095 178.768 176.870 -0.328 0.000 1.092 121 L CA 1.692 56.350 54.840 -0.303 0.000 0.759 121 L CB -0.271 41.663 42.059 -0.209 0.000 0.903 121 L HN 0.116 nan 8.230 nan 0.000 0.435 122 A N -1.892 120.731 122.820 -0.329 0.000 2.167 122 A HA -0.090 4.230 4.320 -0.000 0.000 0.214 122 A C 2.194 179.637 177.584 -0.235 0.000 1.151 122 A CA 1.332 53.174 52.037 -0.324 0.000 0.735 122 A CB -0.960 17.780 19.000 -0.432 0.000 0.802 122 A HN 0.571 nan 8.150 nan 0.000 0.467 123 T N -2.307 112.116 114.554 -0.219 0.000 3.081 123 T HA 0.253 4.603 4.350 -0.000 0.000 0.255 123 T C 0.652 175.277 174.700 -0.126 0.000 1.113 123 T CA -0.225 61.782 62.100 -0.155 0.000 1.082 123 T CB -0.597 68.185 68.868 -0.143 0.000 0.939 123 T HN 0.232 nan 8.240 nan 0.000 0.506 124 L N 2.859 123.977 121.223 -0.176 0.000 2.601 124 L HA 0.166 4.506 4.340 -0.000 0.000 0.277 124 L C -2.038 174.875 176.870 0.071 0.000 1.219 124 L CA -1.390 53.370 54.840 -0.132 0.000 0.915 124 L CB 0.029 41.917 42.059 -0.284 0.000 1.160 124 L HN 0.155 nan 8.230 nan 0.000 0.494 125 P HA 0.020 nan 4.420 nan 0.000 0.268 125 P C 0.259 177.576 177.300 0.027 0.000 1.205 125 P CA -0.153 62.969 63.100 0.037 0.000 0.771 125 P CB 0.937 32.647 31.700 0.017 0.000 0.858 126 A N 3.446 126.136 122.820 -0.217 0.000 2.032 126 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 126 A C 2.015 179.356 177.584 -0.405 0.000 1.165 126 A CA 2.072 53.647 52.037 -0.771 0.000 0.645 126 A CB -1.453 17.163 19.000 -0.640 0.000 0.807 126 A HN 0.575 nan 8.150 nan 0.000 0.453 127 A N -1.323 121.419 122.820 -0.130 0.000 2.168 127 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 127 A C 1.840 179.479 177.584 0.091 0.000 1.152 127 A CA 1.200 53.222 52.037 -0.025 0.000 0.716 127 A CB -0.232 18.764 19.000 -0.007 0.000 0.794 127 A HN 0.663 nan 8.150 nan 0.000 0.465 128 Q N -2.130 117.785 119.800 0.192 0.000 2.247 128 Q HA 0.105 4.445 4.340 -0.000 0.000 0.211 128 Q C 0.744 177.081 176.000 0.563 0.000 0.861 128 Q CA -0.317 55.704 55.803 0.363 0.000 0.949 128 Q CB 0.112 29.097 28.738 0.412 0.000 1.115 128 Q HN 0.666 nan 8.270 nan 0.000 0.507 129 Y N 1.207 121.632 120.300 0.207 0.000 2.069 129 Y HA -0.270 4.280 4.550 -0.000 0.000 0.278 129 Y C 2.357 178.423 175.900 0.277 0.000 1.175 129 Y CA 1.473 59.697 58.100 0.206 0.000 1.134 129 Y CB -0.533 37.987 38.460 0.100 0.000 0.965 129 Y HN 0.184 nan 8.280 nan 0.000 0.498 130 A N -0.755 122.279 122.820 0.357 0.000 2.169 130 A HA -0.054 4.266 4.320 -0.000 0.000 0.212 130 A C 2.073 179.715 177.584 0.097 0.000 1.153 130 A CA 0.617 52.776 52.037 0.202 0.000 0.756 130 A CB -0.544 18.538 19.000 0.136 0.000 0.813 130 A HN 0.486 nan 8.150 nan 0.000 0.471 131 E N -0.373 119.882 120.200 0.091 0.000 2.086 131 E HA -0.063 4.287 4.350 -0.000 0.000 0.205 131 E C 0.837 177.209 176.600 -0.381 0.000 1.027 131 E CA 1.195 57.496 56.400 -0.164 0.000 0.830 131 E CB -0.166 29.368 29.700 -0.277 0.000 0.751 131 E HN 0.769 nan 8.360 nan 0.000 0.456 132 G N -0.080 108.358 108.800 -0.603 0.000 3.305 132 G HA2 0.019 3.979 3.960 -0.000 0.000 0.649 132 G HA3 0.019 3.979 3.960 -0.000 0.000 0.649 132 G C -1.536 172.838 174.900 -0.877 0.000 1.255 132 G CA -0.518 44.283 45.100 -0.499 0.000 1.137 132 G HN 0.092 nan 8.290 nan 0.000 0.535 133 W N 1.696 122.991 121.300 -0.009 0.000 2.736 133 W HA 0.744 5.404 4.660 -0.000 0.000 0.335 133 W C 0.217 176.732 176.519 -0.005 0.000 1.059 133 W CA -1.150 56.190 57.345 -0.008 0.000 1.226 133 W CB 1.891 31.344 29.460 -0.011 0.000 1.416 133 W HN 0.429 nan 8.180 nan 0.000 0.505 134 I N 3.700 124.402 120.570 0.220 0.000 2.405 134 I HA 0.192 4.362 4.170 -0.000 0.000 0.280 134 I C -0.422 175.790 176.117 0.158 0.000 1.027 134 I CA -0.924 60.457 61.300 0.135 0.000 1.161 134 I CB 0.689 38.734 38.000 0.075 0.000 1.300 134 I HN 0.025 nan 8.210 nan 0.000 0.463 135 V N 7.399 127.396 119.914 0.138 0.000 2.427 135 V HA 0.184 4.304 4.120 -0.000 0.000 0.268 135 V C 0.422 176.569 176.094 0.088 0.000 1.046 135 V CA -0.299 62.068 62.300 0.113 0.000 0.970 135 V CB 0.661 32.545 31.823 0.103 0.000 1.001 135 V HN 0.465 nan 8.190 nan 0.000 0.476 136 L N 6.757 128.028 121.223 0.080 0.000 2.290 136 L HA 0.552 4.892 4.340 -0.000 0.000 0.284 136 L C -0.321 176.586 176.870 0.061 0.000 1.078 136 L CA -0.096 54.783 54.840 0.064 0.000 0.815 136 L CB 0.779 42.872 42.059 0.057 0.000 1.162 136 L HN 0.490 nan 8.230 nan 0.000 0.435 137 I N 2.739 123.341 120.570 0.054 0.000 2.439 137 I HA 0.194 4.364 4.170 -0.000 0.000 0.283 137 I C -0.281 175.858 176.117 0.037 0.000 1.023 137 I CA -0.784 60.545 61.300 0.050 0.000 1.100 137 I CB 1.673 39.702 38.000 0.049 0.000 1.238 137 I HN 0.613 nan 8.210 nan 0.000 0.445 138 D N 4.141 124.561 120.400 0.034 0.000 2.403 138 D HA 0.059 4.699 4.640 -0.000 0.000 0.278 138 D C 0.397 176.710 176.300 0.022 0.000 1.230 138 D CA -0.218 53.797 54.000 0.025 0.000 1.062 138 D CB 0.398 41.212 40.800 0.024 0.000 1.119 138 D HN 0.553 nan 8.370 nan 0.000 0.557 139 D N -2.328 118.083 120.400 0.018 0.000 2.388 139 D HA 0.270 4.910 4.640 -0.000 0.000 0.221 139 D C 1.014 177.322 176.300 0.013 0.000 1.133 139 D CA -0.158 53.853 54.000 0.018 0.000 0.831 139 D CB -0.099 40.712 40.800 0.018 0.000 0.962 139 D HN 0.375 nan 8.370 nan 0.000 0.502 140 A N -0.069 122.756 122.820 0.009 0.000 2.095 140 A HA 0.283 4.603 4.320 -0.000 0.000 0.212 140 A C 0.786 178.360 177.584 -0.017 0.000 1.162 140 A CA 0.131 52.171 52.037 0.005 0.000 0.753 140 A CB 0.312 19.323 19.000 0.017 0.000 0.840 140 A HN 0.151 nan 8.150 nan 0.000 0.468 141 V N 1.592 121.481 119.914 -0.043 0.000 2.435 141 V HA 0.182 4.302 4.120 -0.000 0.000 0.290 141 V C -0.294 175.726 176.094 -0.123 0.000 1.030 141 V CA -1.126 61.096 62.300 -0.129 0.000 0.881 141 V CB 1.566 33.242 31.823 -0.245 0.000 0.983 141 V HN 0.429 nan 8.190 nan 0.000 0.445 142 D N 3.376 123.683 120.400 -0.156 0.000 2.531 142 D HA -0.093 4.547 4.640 -0.000 0.000 0.239 142 D C 1.127 177.326 176.300 -0.167 0.000 1.144 142 D CA 0.019 53.929 54.000 -0.149 0.000 0.869 142 D CB 0.775 41.458 40.800 -0.195 0.000 1.160 142 D HN 0.542 nan 8.370 nan 0.000 0.484 143 F N 3.866 123.759 119.950 -0.096 0.000 2.250 143 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 143 F C 1.559 177.309 175.800 -0.083 0.000 1.077 143 F CA 0.742 58.690 58.000 -0.086 0.000 1.348 143 F CB -0.471 38.501 39.000 -0.047 0.000 1.040 143 F HN 0.347 nan 8.300 nan 0.000 0.509 144 L N 0.150 120.918 121.223 -0.758 0.000 2.291 144 L HA -0.092 4.248 4.340 -0.000 0.000 0.214 144 L C 1.894 178.645 176.870 -0.198 0.000 1.120 144 L CA 0.896 55.428 54.840 -0.513 0.000 0.799 144 L CB -0.651 41.044 42.059 -0.607 0.000 0.925 144 L HN 0.137 nan 8.230 nan 0.000 0.446 145 D N -0.035 120.207 120.400 -0.264 0.000 2.183 145 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 145 D C 2.229 178.172 176.300 -0.594 0.000 0.962 145 D CA 1.150 54.937 54.000 -0.355 0.000 0.849 145 D CB 0.255 40.700 40.800 -0.593 0.000 0.978 145 D HN 0.224 nan 8.370 nan 0.000 0.488 146 A N 0.930 123.490 122.820 -0.434 0.000 1.883 146 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 146 A C 2.524 180.098 177.584 -0.016 0.000 1.186 146 A CA 1.252 53.140 52.037 -0.249 0.000 0.624 146 A CB -0.861 18.092 19.000 -0.079 0.000 0.822 146 A HN 0.119 nan 8.150 nan 0.000 0.444 147 V N -1.411 118.536 119.914 0.056 0.000 2.287 147 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 147 V C 2.242 178.462 176.094 0.209 0.000 1.053 147 V CA 2.142 64.522 62.300 0.134 0.000 1.027 147 V CB -0.946 30.963 31.823 0.143 0.000 0.646 147 V HN 0.876 nan 8.190 nan 0.000 0.447 148 W N 0.209 121.489 121.300 -0.034 0.000 2.315 148 W HA -0.185 4.475 4.660 -0.000 0.000 0.323 148 W C 2.304 178.949 176.519 0.209 0.000 1.233 148 W CA 1.598 58.974 57.345 0.051 0.000 1.267 148 W CB -1.055 28.415 29.460 0.016 0.000 1.160 148 W HN 0.353 nan 8.180 nan 0.000 0.474 149 W N 0.364 121.684 121.300 0.034 0.000 2.335 149 W HA -0.167 4.493 4.660 -0.000 0.000 0.311 149 W C 2.546 179.046 176.519 -0.031 0.000 1.213 149 W CA 1.407 58.666 57.345 -0.143 0.000 1.274 149 W CB -1.644 27.707 29.460 -0.182 0.000 1.148 149 W HN -0.053 nan 8.180 nan 0.000 0.498 150 L N 0.278 121.655 121.223 0.256 0.000 2.131 150 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 150 L C 2.200 179.153 176.870 0.139 0.000 1.092 150 L CA 1.181 56.115 54.840 0.157 0.000 0.759 150 L CB -0.881 41.257 42.059 0.132 0.000 0.903 150 L HN -0.001 nan 8.230 nan 0.000 0.435 151 N N -0.248 118.565 118.700 0.188 0.000 2.207 151 N HA -0.168 4.572 4.740 -0.000 0.000 0.182 151 N C 1.872 177.477 175.510 0.159 0.000 1.020 151 N CA 0.963 54.113 53.050 0.167 0.000 0.858 151 N CB -0.006 38.593 38.487 0.187 0.000 0.991 151 N HN 0.252 nan 8.380 nan 0.000 0.427 152 E N 1.300 121.627 120.200 0.211 0.000 2.072 152 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 152 E C 1.757 178.377 176.600 0.034 0.000 0.985 152 E CA 1.159 57.648 56.400 0.147 0.000 0.801 152 E CB -0.370 29.425 29.700 0.159 0.000 0.750 152 E HN 0.255 nan 8.360 nan 0.000 0.452 153 A N 0.748 123.566 122.820 -0.004 0.000 1.892 153 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 153 A C 2.345 179.882 177.584 -0.079 0.000 1.188 153 A CA 1.765 53.741 52.037 -0.101 0.000 0.631 153 A CB -0.925 18.024 19.000 -0.085 0.000 0.822 153 A HN 0.363 nan 8.150 nan 0.000 0.447 154 L N -0.683 120.541 121.223 0.001 0.000 2.201 154 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 154 L C 1.885 178.774 176.870 0.030 0.000 1.105 154 L CA 1.168 56.022 54.840 0.023 0.000 0.775 154 L CB -0.568 41.522 42.059 0.051 0.000 0.913 154 L HN 0.348 nan 8.230 nan 0.000 0.440 155 D N 0.083 120.507 120.400 0.040 0.000 2.149 155 D HA -0.101 4.538 4.640 -0.000 0.000 0.201 155 D C 2.262 178.593 176.300 0.051 0.000 0.972 155 D CA 0.913 54.945 54.000 0.053 0.000 0.835 155 D CB -0.033 40.809 40.800 0.069 0.000 0.966 155 D HN 0.261 nan 8.370 nan 0.000 0.476 156 R N -0.281 120.233 120.500 0.022 0.000 2.237 156 R HA 0.045 4.385 4.340 -0.000 0.000 0.219 156 R C 1.366 177.741 176.300 0.124 0.000 1.080 156 R CA 0.917 57.053 56.100 0.060 0.000 0.995 156 R CB 0.207 30.497 30.300 -0.016 0.000 0.875 156 R HN 0.240 nan 8.270 nan 0.000 0.462 157 G N 0.317 109.142 108.800 0.042 0.000 2.205 157 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.180 157 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.180 157 G C 0.162 175.097 174.900 0.057 0.000 1.004 157 G CA -0.641 44.535 45.100 0.126 0.000 0.670 157 G HN 0.133 nan 8.290 nan 0.000 0.496 158 I N 1.867 122.321 120.570 -0.193 0.000 2.587 158 I HA 0.052 4.222 4.170 -0.000 0.000 0.284 158 I C 0.970 177.123 176.117 0.061 0.000 1.134 158 I CA 0.114 61.313 61.300 -0.168 0.000 1.410 158 I CB 0.754 38.541 38.000 -0.354 0.000 1.392 158 I HN 0.251 nan 8.210 nan 0.000 0.545 159 N N 6.831 125.649 118.700 0.197 0.000 2.895 159 N HA 0.111 4.851 4.740 -0.000 0.000 0.277 159 N C -0.733 174.890 175.510 0.187 0.000 1.185 159 N CA -0.427 52.719 53.050 0.160 0.000 1.106 159 N CB 0.426 38.981 38.487 0.115 0.000 1.422 159 N HN 0.335 nan 8.380 nan 0.000 0.521 160 V N 3.623 123.629 119.914 0.153 0.000 2.439 160 V HA -0.022 4.098 4.120 -0.000 0.000 0.271 160 V C 1.480 177.627 176.094 0.088 0.000 1.040 160 V CA -0.122 62.268 62.300 0.150 0.000 1.002 160 V CB 0.946 32.836 31.823 0.112 0.000 1.000 160 V HN 0.508 nan 8.190 nan 0.000 0.477 161 V N 1.997 121.951 119.914 0.066 0.000 3.644 161 V HA 0.775 4.895 4.120 -0.000 0.000 0.267 161 V C 0.615 176.722 176.094 0.021 0.000 1.277 161 V CA 0.761 63.073 62.300 0.020 0.000 1.096 161 V CB -0.201 31.602 31.823 -0.033 0.000 0.828 161 V HN 0.967 nan 8.190 nan 0.000 0.446 162 A N -0.580 122.267 122.820 0.044 0.000 2.515 162 A HA 0.950 5.269 4.320 -0.000 0.000 0.292 162 A C -1.006 176.616 177.584 0.063 0.000 1.065 162 A CA -0.180 51.883 52.037 0.043 0.000 0.641 162 A CB 0.838 19.853 19.000 0.026 0.000 1.306 162 A HN 1.697 nan 8.150 nan 0.000 0.441 163 A N -0.166 122.689 122.820 0.058 0.000 2.549 163 A HA 0.776 5.096 4.320 -0.000 0.000 0.297 163 A C -1.394 176.225 177.584 0.059 0.000 1.061 163 A CA -0.309 51.767 52.037 0.064 0.000 0.690 163 A CB 0.965 20.002 19.000 0.063 0.000 1.287 163 A HN 1.070 nan 8.150 nan 0.000 0.402 164 I N 2.449 123.056 120.570 0.062 0.000 2.448 164 I HA 0.319 4.489 4.170 -0.000 0.000 0.281 164 I C -1.270 174.879 176.117 0.054 0.000 1.027 164 I CA -0.522 60.816 61.300 0.062 0.000 1.111 164 I CB 1.395 39.433 38.000 0.063 0.000 1.236 164 I HN 0.398 nan 8.210 nan 0.000 0.452 165 L N 6.108 127.362 121.223 0.052 0.000 2.344 165 L HA 0.401 4.741 4.340 -0.000 0.000 0.272 165 L C 1.232 178.124 176.870 0.037 0.000 1.035 165 L CA -0.043 54.822 54.840 0.041 0.000 0.807 165 L CB 1.226 43.302 42.059 0.029 0.000 1.237 165 L HN 0.499 nan 8.230 nan 0.000 0.442 166 K N 0.701 121.116 120.400 0.026 0.000 2.166 166 K HA 0.135 4.455 4.320 -0.000 0.000 0.201 166 K C 0.249 176.860 176.600 0.018 0.000 1.052 166 K CA 0.676 56.973 56.287 0.016 0.000 0.969 166 K CB 0.412 32.919 32.500 0.012 0.000 0.761 166 K HN 0.489 nan 8.250 nan 0.000 0.459 167 K N 0.789 121.199 120.400 0.016 0.000 2.148 167 K HA 0.034 4.353 4.320 -0.000 0.000 0.239 167 K C -0.473 176.127 176.600 -0.001 0.000 1.018 167 K CA -0.486 55.807 56.287 0.009 0.000 0.923 167 K CB 0.879 33.383 32.500 0.008 0.000 1.117 167 K HN -0.125 nan 8.250 nan 0.000 0.477 168 D N 1.288 121.680 120.400 -0.014 0.000 2.934 168 D HA 0.027 4.667 4.640 -0.000 0.000 0.237 168 D C -0.650 175.600 176.300 -0.083 0.000 1.158 168 D CA 0.298 54.280 54.000 -0.029 0.000 0.971 168 D CB -0.231 40.556 40.800 -0.022 0.000 1.123 168 D HN 0.300 nan 8.370 nan 0.000 0.467 169 D N -0.487 119.851 120.400 -0.103 0.000 2.501 169 D HA 0.120 4.760 4.640 -0.000 0.000 0.224 169 D C 1.913 178.114 176.300 -0.165 0.000 1.202 169 D CA -0.094 53.779 54.000 -0.212 0.000 0.829 169 D CB 0.624 41.264 40.800 -0.267 0.000 1.023 169 D HN 0.393 nan 8.370 nan 0.000 0.499 170 G N 0.950 109.697 108.800 -0.087 0.000 2.476 170 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 170 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 170 G C 1.673 176.534 174.900 -0.064 0.000 1.164 170 G CA 0.713 45.781 45.100 -0.054 0.000 0.768 170 G HN 0.254 nan 8.290 nan 0.000 0.560 171 V N 0.806 120.673 119.914 -0.079 0.000 2.427 171 V HA -0.069 4.051 4.120 -0.000 0.000 0.248 171 V C 2.906 178.945 176.094 -0.092 0.000 1.051 171 V CA 1.300 63.559 62.300 -0.069 0.000 1.048 171 V CB -0.392 31.393 31.823 -0.062 0.000 0.666 171 V HN 0.328 nan 8.190 nan 0.000 0.456 172 L N -0.508 120.606 121.223 -0.182 0.000 2.017 172 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 172 L C 2.486 179.277 176.870 -0.131 0.000 1.073 172 L CA 1.209 55.894 54.840 -0.258 0.000 0.745 172 L CB -0.651 40.992 42.059 -0.693 0.000 0.894 172 L HN 0.179 nan 8.230 nan 0.000 0.432 173 V N 0.076 119.920 119.914 -0.118 0.000 2.307 173 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 173 V C 2.232 178.352 176.094 0.042 0.000 1.045 173 V CA 2.194 64.512 62.300 0.030 0.000 1.024 173 V CB -0.703 31.140 31.823 0.034 0.000 0.651 173 V HN 0.510 nan 8.190 nan 0.000 0.449 174 N N 0.911 119.618 118.700 0.012 0.000 2.166 174 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 174 N C 1.499 177.024 175.510 0.026 0.000 1.019 174 N CA 1.484 54.547 53.050 0.021 0.000 0.856 174 N CB -0.293 38.199 38.487 0.009 0.000 0.993 174 N HN 0.414 nan 8.380 nan 0.000 0.426 175 N N 0.062 118.772 118.700 0.017 0.000 2.519 175 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 175 N C 0.488 176.023 175.510 0.041 0.000 1.062 175 N CA 0.684 53.748 53.050 0.023 0.000 0.910 175 N CB 0.010 38.506 38.487 0.014 0.000 0.958 175 N HN 0.414 nan 8.380 nan 0.000 0.445 176 R N -0.518 120.018 120.500 0.060 0.000 2.543 176 R HA 0.318 4.658 4.340 -0.000 0.000 0.323 176 R C -0.036 176.306 176.300 0.070 0.000 1.002 176 R CA -0.186 55.957 56.100 0.071 0.000 1.106 176 R CB 0.698 31.063 30.300 0.108 0.000 1.280 176 R HN 0.044 nan 8.270 nan 0.000 0.549 177 L N 0.766 122.027 121.223 0.063 0.000 2.421 177 L HA 0.258 4.598 4.340 -0.000 0.000 0.263 177 L C 1.400 178.303 176.870 0.055 0.000 1.122 177 L CA -0.756 54.123 54.840 0.066 0.000 0.804 177 L CB 0.715 42.812 42.059 0.062 0.000 1.150 177 L HN -0.016 nan 8.230 nan 0.000 0.457 178 R N 1.389 121.925 120.500 0.059 0.000 2.105 178 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 178 R C 0.110 176.436 176.300 0.042 0.000 1.135 178 R CA 1.290 57.420 56.100 0.050 0.000 0.967 178 R CB -0.629 29.704 30.300 0.054 0.000 0.861 178 R HN 0.619 nan 8.270 nan 0.000 0.442 179 K N -1.185 119.241 120.400 0.044 0.000 2.508 179 K HA 0.360 4.680 4.320 -0.000 0.000 0.260 179 K C -0.964 175.658 176.600 0.036 0.000 0.949 179 K CA -0.671 55.638 56.287 0.037 0.000 0.834 179 K CB 1.541 34.062 32.500 0.036 0.000 1.365 179 K HN -0.334 nan 8.250 nan 0.000 0.437 180 T N 2.457 117.030 114.554 0.030 0.000 2.928 180 T HA 0.207 4.556 4.350 -0.000 0.000 0.305 180 T C -0.252 174.465 174.700 0.028 0.000 1.035 180 T CA -0.007 62.109 62.100 0.027 0.000 1.145 180 T CB -0.106 68.775 68.868 0.022 0.000 0.963 180 T HN 0.322 nan 8.240 nan 0.000 0.545 181 L N 5.138 126.378 121.223 0.029 0.000 2.409 181 L HA 0.463 4.803 4.340 -0.000 0.000 0.262 181 L C -2.297 174.588 176.870 0.025 0.000 0.992 181 L CA -2.680 52.177 54.840 0.029 0.000 0.817 181 L CB 2.826 44.908 42.059 0.037 0.000 1.350 181 L HN 0.380 nan 8.230 nan 0.000 0.411 182 P HA 0.103 nan 4.420 nan 0.000 0.276 182 P C -0.965 176.350 177.300 0.025 0.000 1.243 182 P CA -0.106 63.006 63.100 0.020 0.000 0.768 182 P CB 1.240 32.952 31.700 0.020 0.000 0.856 183 V N 5.387 125.314 119.914 0.021 0.000 2.349 183 V HA 0.121 4.241 4.120 -0.000 0.000 0.284 183 V C 0.440 176.550 176.094 0.025 0.000 1.014 183 V CA -0.843 61.473 62.300 0.026 0.000 0.826 183 V CB 1.962 33.797 31.823 0.020 0.000 1.009 183 V HN 0.264 nan 8.190 nan 0.000 0.431 184 V N 4.513 124.453 119.914 0.043 0.000 2.427 184 V HA 0.227 4.347 4.120 -0.000 0.000 0.268 184 V C 0.349 176.492 176.094 0.082 0.000 1.046 184 V CA 0.078 62.414 62.300 0.059 0.000 0.970 184 V CB 1.166 33.045 31.823 0.093 0.000 1.001 184 V HN 0.792 nan 8.190 nan 0.000 0.476 185 D N 2.906 123.349 120.400 0.072 0.000 2.423 185 D HA 0.230 4.869 4.640 -0.000 0.000 0.255 185 D C 0.691 177.115 176.300 0.208 0.000 1.174 185 D CA -0.376 53.676 54.000 0.086 0.000 1.008 185 D CB 0.696 41.513 40.800 0.028 0.000 1.101 185 D HN 0.692 nan 8.370 nan 0.000 0.516 186 E N -0.827 119.454 120.200 0.135 0.000 2.202 186 E HA -0.162 4.188 4.350 -0.000 0.000 0.214 186 E C -0.505 176.150 176.600 0.091 0.000 1.303 186 E CA -0.108 56.373 56.400 0.135 0.000 0.714 186 E CB -1.093 28.699 29.700 0.153 0.000 1.130 186 E HN 0.054 nan 8.360 nan 0.000 0.356 187 V N 1.995 121.917 119.914 0.014 0.000 2.276 187 V HA -0.041 4.079 4.120 -0.000 0.000 0.249 187 V C 2.040 178.079 176.094 -0.092 0.000 1.160 187 V CA 0.820 63.036 62.300 -0.141 0.000 1.042 187 V CB 0.223 32.002 31.823 -0.074 0.000 1.224 187 V HN 0.570 nan 8.190 nan 0.000 0.496 188 T N 2.047 116.538 114.554 -0.105 0.000 2.680 188 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 188 T C 0.949 175.624 174.700 -0.042 0.000 1.033 188 T CA 1.481 63.549 62.100 -0.054 0.000 1.152 188 T CB -0.286 68.553 68.868 -0.048 0.000 0.859 188 T HN 0.447 nan 8.240 nan 0.000 0.452 189 L N 1.207 122.397 121.223 -0.055 0.000 3.084 189 L HA 0.433 4.773 4.340 -0.000 0.000 0.238 189 L C 1.529 178.384 176.870 -0.026 0.000 1.327 189 L CA -0.403 54.418 54.840 -0.032 0.000 1.094 189 L CB 0.305 42.346 42.059 -0.030 0.000 1.477 189 L HN 0.122 nan 8.230 nan 0.000 0.514 190 L N 1.451 122.661 121.223 -0.022 0.000 2.051 190 L HA -0.252 4.088 4.340 -0.000 0.000 0.214 190 L C 2.748 179.620 176.870 0.003 0.000 1.076 190 L CA 2.089 56.925 54.840 -0.007 0.000 0.758 190 L CB -0.303 41.758 42.059 0.004 0.000 0.890 190 L HN 0.564 nan 8.230 nan 0.000 0.433 191 E N -0.595 119.608 120.200 0.004 0.000 2.393 191 E HA -0.304 4.046 4.350 -0.000 0.000 0.201 191 E C 1.737 178.341 176.600 0.007 0.000 1.025 191 E CA 1.603 58.008 56.400 0.009 0.000 0.856 191 E CB -0.600 29.104 29.700 0.008 0.000 0.771 191 E HN 0.756 nan 8.360 nan 0.000 0.526 192 Q N 0.393 120.195 119.800 0.003 0.000 2.398 192 Q HA 0.118 4.458 4.340 -0.000 0.000 0.204 192 Q C 0.241 176.245 176.000 0.007 0.000 0.932 192 Q CA 0.032 55.837 55.803 0.003 0.000 0.916 192 Q CB 0.777 29.514 28.738 -0.002 0.000 1.024 192 Q HN 0.089 nan 8.270 nan 0.000 0.504 193 V N 4.797 124.717 119.914 0.010 0.000 2.540 193 V HA 0.026 4.146 4.120 -0.000 0.000 0.297 193 V C -1.860 174.247 176.094 0.021 0.000 1.024 193 V CA -0.935 61.375 62.300 0.017 0.000 1.105 193 V CB 0.042 31.879 31.823 0.023 0.000 0.938 193 V HN 0.191 nan 8.190 nan 0.000 0.482 194 P HA 0.151 nan 4.420 nan 0.000 0.267 194 P C -0.264 177.053 177.300 0.028 0.000 1.205 194 P CA -0.049 63.063 63.100 0.019 0.000 0.765 194 P CB 0.817 32.525 31.700 0.012 0.000 0.828 195 E N 1.000 121.219 120.200 0.031 0.000 2.319 195 E HA 0.392 4.742 4.350 -0.000 0.000 0.268 195 E C 0.902 177.533 176.600 0.051 0.000 1.050 195 E CA -0.410 56.018 56.400 0.046 0.000 0.878 195 E CB 0.425 30.149 29.700 0.040 0.000 1.066 195 E HN 0.729 nan 8.360 nan 0.000 0.406 196 G N 0.605 109.457 108.800 0.086 0.000 2.198 196 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 196 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 196 G C 0.053 174.981 174.900 0.046 0.000 1.025 196 G CA 0.503 45.661 45.100 0.096 0.000 0.769 196 G HN 0.480 nan 8.290 nan 0.000 0.507 197 V N -3.333 116.593 119.914 0.021 0.000 2.960 197 V HA 0.869 4.989 4.120 -0.000 0.000 0.315 197 V C 0.653 176.701 176.094 -0.078 0.000 1.087 197 V CA -1.110 61.166 62.300 -0.039 0.000 0.982 197 V CB 2.036 33.829 31.823 -0.049 0.000 1.039 197 V HN 0.524 nan 8.190 nan 0.000 0.437 198 M N 3.101 122.602 119.600 -0.166 0.000 2.219 198 M HA 0.649 5.129 4.480 -0.000 0.000 0.353 198 M C -0.120 176.055 176.300 -0.209 0.000 1.304 198 M CA 0.381 55.547 55.300 -0.223 0.000 1.115 198 M CB 0.549 32.933 32.600 -0.360 0.000 1.664 198 M HN 1.265 nan 8.290 nan 0.000 0.459 199 A N 3.806 126.616 122.820 -0.018 0.000 2.593 199 A HA 0.967 5.287 4.320 -0.000 0.000 0.290 199 A C -1.878 175.837 177.584 0.220 0.000 1.126 199 A CA -0.493 51.643 52.037 0.166 0.000 0.695 199 A CB 1.460 20.514 19.000 0.090 0.000 1.290 199 A HN 1.004 nan 8.150 nan 0.000 0.414 200 A N -0.060 122.889 122.820 0.216 0.000 2.422 200 A HA 0.704 5.024 4.320 -0.000 0.000 0.302 200 A C -1.300 176.309 177.584 0.041 0.000 1.041 200 A CA -0.433 51.621 52.037 0.027 0.000 0.708 200 A CB 1.428 20.418 19.000 -0.018 0.000 1.257 200 A HN 1.488 nan 8.150 nan 0.000 0.414 201 V N 1.629 121.540 119.914 -0.005 0.000 2.604 201 V HA 0.660 4.780 4.120 -0.000 0.000 0.305 201 V C -0.180 175.932 176.094 0.030 0.000 1.043 201 V CA -0.440 61.877 62.300 0.028 0.000 0.888 201 V CB 1.686 33.524 31.823 0.026 0.000 0.995 201 V HN 0.971 nan 8.190 nan 0.000 0.429 202 E N 3.030 123.258 120.200 0.046 0.000 2.275 202 E HA 0.701 5.051 4.350 -0.000 0.000 0.270 202 E C -2.123 174.495 176.600 0.031 0.000 0.882 202 E CA -0.464 55.966 56.400 0.050 0.000 0.758 202 E CB 2.438 32.181 29.700 0.072 0.000 1.195 202 E HN 0.447 nan 8.360 nan 0.000 0.419 203 V N 3.293 123.222 119.914 0.024 0.000 2.447 203 V HA 0.551 4.671 4.120 -0.000 0.000 0.292 203 V C 0.107 176.207 176.094 0.010 0.000 1.021 203 V CA -0.567 61.739 62.300 0.011 0.000 0.850 203 V CB 1.156 32.983 31.823 0.008 0.000 1.005 203 V HN 0.842 nan 8.190 nan 0.000 0.426 204 A N 3.955 126.778 122.820 0.004 0.000 2.296 204 A HA 0.885 5.205 4.320 -0.000 0.000 0.264 204 A C 0.737 178.321 177.584 0.000 0.000 1.097 204 A CA 0.326 52.365 52.037 0.004 0.000 0.811 204 A CB 0.604 19.604 19.000 -0.000 0.000 1.072 204 A HN 1.357 nan 8.150 nan 0.000 0.495 205 A N 0.950 123.770 122.820 0.001 0.000 2.327 205 A HA 0.570 4.890 4.320 -0.000 0.000 0.255 205 A C -2.158 175.423 177.584 -0.004 0.000 1.099 205 A CA -1.212 50.825 52.037 -0.000 0.000 0.801 205 A CB -0.669 18.332 19.000 0.002 0.000 1.062 205 A HN 0.679 nan 8.150 nan 0.000 0.496 206 P HA 0.093 nan 4.420 nan 0.000 0.262 206 P C 0.900 178.195 177.300 -0.007 0.000 1.182 206 P CA 1.675 64.771 63.100 -0.007 0.000 0.761 206 P CB 0.452 32.149 31.700 -0.006 0.000 0.795 207 G N 2.084 110.878 108.800 -0.010 0.000 2.245 207 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.264 207 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.264 207 G C 0.263 175.157 174.900 -0.009 0.000 0.985 207 G CA 0.084 45.178 45.100 -0.009 0.000 0.625 207 G HN 0.611 nan 8.290 nan 0.000 0.536 208 Q N -0.295 119.501 119.800 -0.008 0.000 2.237 208 Q HA 0.640 4.980 4.340 -0.000 0.000 0.219 208 Q C 0.478 176.473 176.000 -0.009 0.000 0.999 208 Q CA -0.110 55.689 55.803 -0.007 0.000 0.959 208 Q CB 2.135 30.871 28.738 -0.004 0.000 1.173 208 Q HN 0.854 nan 8.270 nan 0.000 0.527 209 V N -2.360 117.549 119.914 -0.008 0.000 3.046 209 V HA 0.637 4.757 4.120 -0.000 0.000 0.316 209 V C -0.013 176.077 176.094 -0.006 0.000 1.104 209 V CA -1.173 61.121 62.300 -0.010 0.000 1.006 209 V CB 1.326 33.142 31.823 -0.012 0.000 1.058 209 V HN 0.624 nan 8.190 nan 0.000 0.440 210 V N 1.867 121.778 119.914 -0.006 0.000 2.763 210 V HA 0.465 4.585 4.120 -0.000 0.000 0.306 210 V C 1.036 177.125 176.094 -0.008 0.000 1.059 210 V CA 0.617 62.916 62.300 -0.001 0.000 1.138 210 V CB 0.326 32.151 31.823 0.002 0.000 0.940 210 V HN 1.210 nan 8.190 nan 0.000 0.489 211 R N 2.811 123.306 120.500 -0.008 0.000 2.487 211 R HA 0.466 4.806 4.340 -0.000 0.000 0.272 211 R C 0.903 177.180 176.300 -0.037 0.000 0.928 211 R CA 0.035 56.123 56.100 -0.019 0.000 1.077 211 R CB 0.046 30.338 30.300 -0.014 0.000 1.265 211 R HN 0.628 nan 8.270 nan 0.000 0.537 212 I N 0.707 121.256 120.570 -0.036 0.000 2.899 212 I HA 0.051 4.221 4.170 -0.000 0.000 0.257 212 I C 1.774 177.833 176.117 -0.096 0.000 1.115 212 I CA 0.215 61.462 61.300 -0.089 0.000 1.451 212 I CB 0.125 38.073 38.000 -0.088 0.000 1.251 212 I HN -0.014 nan 8.210 nan 0.000 0.456 213 L N 0.955 122.159 121.223 -0.032 0.000 2.465 213 L HA -0.071 4.269 4.340 -0.000 0.000 0.224 213 L C 2.181 179.020 176.870 -0.052 0.000 1.145 213 L CA 0.972 55.789 54.840 -0.037 0.000 0.834 213 L CB -0.520 41.547 42.059 0.013 0.000 0.944 213 L HN 0.343 nan 8.230 nan 0.000 0.451 214 S N -1.891 113.780 115.700 -0.049 0.000 2.575 214 S HA 0.029 4.499 4.470 -0.000 0.000 0.215 214 S C 0.623 175.178 174.600 -0.076 0.000 0.966 214 S CA -0.414 57.755 58.200 -0.051 0.000 0.911 214 S CB -0.315 62.864 63.200 -0.035 0.000 0.780 214 S HN 0.343 nan 8.310 nan 0.000 0.514 215 N N 1.950 120.591 118.700 -0.098 0.000 2.446 215 N HA 0.451 5.191 4.740 -0.000 0.000 0.265 215 N C -2.395 173.001 175.510 -0.189 0.000 0.975 215 N CA -2.434 50.540 53.050 -0.127 0.000 0.928 215 N CB 1.901 40.335 38.487 -0.087 0.000 1.160 215 N HN -0.183 nan 8.380 nan 0.000 0.495 216 P HA -0.152 nan 4.420 nan 0.000 0.216 216 P C 0.533 177.644 177.300 -0.314 0.000 1.154 216 P CA 1.613 64.503 63.100 -0.350 0.000 0.865 216 P CB -0.002 31.379 31.700 -0.532 0.000 0.789 217 Y N -1.487 118.756 120.300 -0.095 0.000 2.373 217 Y HA -0.008 4.542 4.550 -0.000 0.000 0.293 217 Y C 2.685 178.476 175.900 -0.182 0.000 1.129 217 Y CA 0.536 58.569 58.100 -0.111 0.000 1.226 217 Y CB -0.991 37.414 38.460 -0.091 0.000 1.000 217 Y HN -0.026 nan 8.280 nan 0.000 0.549 218 G N 0.606 109.339 108.800 -0.110 0.000 2.404 218 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 218 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 218 G C 1.578 176.221 174.900 -0.428 0.000 1.174 218 G CA 0.987 45.901 45.100 -0.310 0.000 0.780 218 G HN 0.355 nan 8.290 nan 0.000 0.537 219 I N 1.442 121.832 120.570 -0.301 0.000 2.226 219 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 219 I C 3.267 179.223 176.117 -0.269 0.000 1.100 219 I CA 0.947 62.033 61.300 -0.356 0.000 1.374 219 I CB -0.217 37.614 38.000 -0.282 0.000 1.057 219 I HN 0.244 nan 8.210 nan 0.000 0.413 220 A N 0.283 123.035 122.820 -0.113 0.000 2.019 220 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 220 A C 2.348 179.944 177.584 0.020 0.000 1.164 220 A CA 2.269 54.312 52.037 0.011 0.000 0.644 220 A CB -0.897 18.152 19.000 0.082 0.000 0.805 220 A HN 0.391 nan 8.150 nan 0.000 0.449 221 T N -1.004 113.506 114.554 -0.073 0.000 2.812 221 T HA -0.011 4.339 4.350 -0.000 0.000 0.264 221 T C 1.590 176.329 174.700 0.065 0.000 1.042 221 T CA 1.171 63.234 62.100 -0.063 0.000 1.140 221 T CB -0.400 68.347 68.868 -0.202 0.000 0.870 221 T HN 0.526 nan 8.240 nan 0.000 0.445 222 F N 0.069 119.984 119.950 -0.059 0.000 2.146 222 F HA 0.078 4.605 4.527 -0.000 0.000 0.298 222 F C 1.771 177.705 175.800 0.223 0.000 1.096 222 F CA 0.773 58.762 58.000 -0.018 0.000 1.275 222 F CB -0.201 38.679 39.000 -0.200 0.000 1.008 222 F HN 0.179 nan 8.300 nan 0.000 0.480 223 F N -0.207 119.864 119.950 0.203 0.000 2.727 223 F HA 0.228 4.755 4.527 -0.000 0.000 0.302 223 F C 1.624 177.467 175.800 0.072 0.000 1.097 223 F CA 0.130 58.195 58.000 0.107 0.000 1.330 223 F CB 0.011 39.062 39.000 0.086 0.000 1.084 223 F HN 0.036 nan 8.300 nan 0.000 0.578 224 G N 2.718 111.666 108.800 0.246 0.000 2.338 224 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.296 224 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.296 224 G C -0.002 174.977 174.900 0.132 0.000 1.040 224 G CA -0.186 45.003 45.100 0.148 0.000 1.004 224 G HN 0.278 nan 8.290 nan 0.000 0.509 225 L N 0.243 121.555 121.223 0.149 0.000 2.453 225 L HA 0.503 4.843 4.340 -0.000 0.000 0.261 225 L C 1.442 178.365 176.870 0.088 0.000 1.179 225 L CA -0.034 54.881 54.840 0.125 0.000 0.813 225 L CB 0.878 43.021 42.059 0.140 0.000 1.110 225 L HN 0.504 nan 8.230 nan 0.000 0.466 226 S N 0.247 115.991 115.700 0.073 0.000 2.693 226 S HA 0.366 4.836 4.470 -0.000 0.000 0.276 226 S C -2.023 172.614 174.600 0.062 0.000 1.192 226 S CA -1.283 56.952 58.200 0.058 0.000 0.994 226 S CB 1.471 64.698 63.200 0.046 0.000 1.012 226 S HN 0.365 nan 8.310 nan 0.000 0.550 227 P HA -0.170 nan 4.420 nan 0.000 0.215 227 P C 1.477 178.807 177.300 0.050 0.000 1.157 227 P CA 1.550 64.688 63.100 0.062 0.000 0.874 227 P CB 0.028 31.759 31.700 0.051 0.000 0.790 228 E N 0.180 120.404 120.200 0.040 0.000 2.051 228 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 228 E C 1.768 178.389 176.600 0.035 0.000 0.991 228 E CA 1.287 57.706 56.400 0.033 0.000 0.799 228 E CB -0.317 29.400 29.700 0.028 0.000 0.748 228 E HN 0.292 nan 8.360 nan 0.000 0.449 229 E N -0.283 119.943 120.200 0.044 0.000 2.150 229 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 229 E C 2.094 178.724 176.600 0.050 0.000 0.985 229 E CA 1.499 57.930 56.400 0.052 0.000 0.814 229 E CB -0.025 29.716 29.700 0.068 0.000 0.752 229 E HN 0.278 nan 8.360 nan 0.000 0.466 230 T N 1.356 115.937 114.554 0.046 0.000 2.737 230 T HA -0.181 4.169 4.350 -0.000 0.000 0.265 230 T C 1.833 176.526 174.700 -0.011 0.000 1.038 230 T CA 1.144 63.256 62.100 0.020 0.000 1.144 230 T CB -0.199 68.694 68.868 0.041 0.000 0.866 230 T HN 0.180 nan 8.240 nan 0.000 0.434 231 Q N 0.640 120.442 119.800 0.004 0.000 2.197 231 Q HA -0.076 4.264 4.340 -0.000 0.000 0.207 231 Q C 2.538 178.535 176.000 -0.005 0.000 0.984 231 Q CA 1.461 57.261 55.803 -0.006 0.000 0.869 231 Q CB -0.290 28.453 28.738 0.009 0.000 0.906 231 Q HN 0.566 nan 8.270 nan 0.000 0.426 232 A N 0.669 123.495 122.820 0.010 0.000 2.067 232 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 232 A C 1.847 179.441 177.584 0.016 0.000 1.156 232 A CA 0.776 52.822 52.037 0.016 0.000 0.683 232 A CB -0.256 18.760 19.000 0.027 0.000 0.808 232 A HN 0.456 nan 8.150 nan 0.000 0.455 233 I N -3.433 117.144 120.570 0.011 0.000 3.728 233 I HA 0.128 4.298 4.170 -0.000 0.000 0.307 233 I C 1.572 177.676 176.117 -0.022 0.000 1.276 233 I CA 0.195 61.502 61.300 0.011 0.000 1.285 233 I CB -0.795 37.222 38.000 0.028 0.000 1.038 233 I HN -0.088 nan 8.210 nan 0.000 0.445 234 V N 2.309 122.198 119.914 -0.042 0.000 2.278 234 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 234 V C 0.203 176.275 176.094 -0.038 0.000 1.062 234 V CA 2.650 64.913 62.300 -0.061 0.000 1.038 234 V CB -1.940 29.847 31.823 -0.060 0.000 0.646 234 V HN 0.374 nan 8.190 nan 0.000 0.447 235 P HA -0.124 nan 4.420 nan 0.000 0.218 235 P C 1.716 179.016 177.300 -0.001 0.000 1.148 235 P CA 1.490 64.587 63.100 -0.005 0.000 0.822 235 P CB -0.044 31.658 31.700 0.005 0.000 0.784 236 I N -0.958 119.614 120.570 0.002 0.000 2.233 236 I HA -0.190 3.979 4.170 -0.000 0.000 0.243 236 I C 2.335 178.449 176.117 -0.005 0.000 1.093 236 I CA 1.269 62.576 61.300 0.011 0.000 1.380 236 I CB -0.903 37.114 38.000 0.029 0.000 1.067 236 I HN -0.096 nan 8.210 nan 0.000 0.413 237 A N 0.977 123.780 122.820 -0.028 0.000 1.883 237 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 237 A C 2.452 180.014 177.584 -0.037 0.000 1.186 237 A CA 1.897 53.906 52.037 -0.048 0.000 0.624 237 A CB -0.702 18.247 19.000 -0.086 0.000 0.822 237 A HN 0.339 nan 8.150 nan 0.000 0.444 238 R N -0.474 120.006 120.500 -0.033 0.000 2.096 238 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 238 R C 2.186 178.478 176.300 -0.012 0.000 1.127 238 R CA 1.382 57.468 56.100 -0.025 0.000 0.968 238 R CB -0.368 29.920 30.300 -0.021 0.000 0.861 238 R HN 0.449 nan 8.270 nan 0.000 0.440 239 A N 0.347 123.164 122.820 -0.004 0.000 2.067 239 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 239 A C 1.899 179.486 177.584 0.006 0.000 1.158 239 A CA 0.844 52.885 52.037 0.006 0.000 0.661 239 A CB -0.159 18.850 19.000 0.016 0.000 0.801 239 A HN 0.341 nan 8.150 nan 0.000 0.452 240 L N -0.292 120.931 121.223 0.001 0.000 2.567 240 L HA 0.229 4.569 4.340 -0.000 0.000 0.225 240 L C 0.158 177.024 176.870 -0.008 0.000 1.119 240 L CA -0.311 54.530 54.840 0.001 0.000 0.871 240 L CB -0.197 41.864 42.059 0.003 0.000 1.036 240 L HN 0.244 nan 8.230 nan 0.000 0.459 241 I N 1.218 121.780 120.570 -0.014 0.000 2.741 241 I HA -0.059 4.111 4.170 -0.000 0.000 0.288 241 I C 1.460 177.567 176.117 -0.016 0.000 1.192 241 I CA 1.098 62.388 61.300 -0.018 0.000 1.426 241 I CB 0.188 38.176 38.000 -0.020 0.000 1.367 241 I HN 0.395 nan 8.210 nan 0.000 0.563 242 G N 4.444 113.235 108.800 -0.016 0.000 2.195 242 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 242 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 242 G C 0.223 175.112 174.900 -0.017 0.000 0.984 242 G CA -0.277 44.813 45.100 -0.017 0.000 0.633 242 G HN 0.675 nan 8.290 nan 0.000 0.525 243 N N -0.147 118.543 118.700 -0.016 0.000 2.503 243 N HA 0.402 5.142 4.740 -0.000 0.000 0.267 243 N C 1.220 176.717 175.510 -0.021 0.000 1.214 243 N CA -0.310 52.728 53.050 -0.020 0.000 0.959 243 N CB 0.695 39.173 38.487 -0.015 0.000 1.142 243 N HN 0.243 nan 8.380 nan 0.000 0.455 244 R N 0.609 121.091 120.500 -0.030 0.000 2.223 244 R HA 0.107 4.447 4.340 -0.000 0.000 0.198 244 R C -0.346 175.939 176.300 -0.025 0.000 0.984 244 R CA 0.589 56.673 56.100 -0.027 0.000 1.018 244 R CB 0.347 30.627 30.300 -0.032 0.000 0.945 244 R HN 0.413 nan 8.270 nan 0.000 0.479 245 S N -0.901 114.777 115.700 -0.036 0.000 2.569 245 S HA 0.818 5.288 4.470 -0.000 0.000 0.280 245 S C -1.499 173.095 174.600 -0.011 0.000 1.111 245 S CA -0.461 57.722 58.200 -0.028 0.000 0.887 245 S CB 2.198 65.361 63.200 -0.061 0.000 1.095 245 S HN 0.356 nan 8.310 nan 0.000 0.476 246 A N 1.117 123.948 122.820 0.019 0.000 2.597 246 A HA 0.762 5.082 4.320 -0.000 0.000 0.292 246 A C -1.962 175.660 177.584 0.063 0.000 1.057 246 A CA -0.604 51.459 52.037 0.044 0.000 0.674 246 A CB 1.010 20.030 19.000 0.034 0.000 1.278 246 A HN 0.697 nan 8.150 nan 0.000 0.416 247 V N 0.705 120.668 119.914 0.081 0.000 2.686 247 V HA 0.635 4.755 4.120 -0.000 0.000 0.306 247 V C -0.826 175.331 176.094 0.106 0.000 1.065 247 V CA -0.572 61.783 62.300 0.092 0.000 0.894 247 V CB 1.808 33.689 31.823 0.096 0.000 1.004 247 V HN 0.901 nan 8.190 nan 0.000 0.424 248 V N 5.416 125.413 119.914 0.138 0.000 2.487 248 V HA 0.544 4.664 4.120 -0.000 0.000 0.298 248 V C -0.612 175.680 176.094 0.329 0.000 1.028 248 V CA -0.599 61.819 62.300 0.196 0.000 0.860 248 V CB 1.909 33.822 31.823 0.151 0.000 0.991 248 V HN 0.549 nan 8.190 nan 0.000 0.427 249 L N 3.674 125.046 121.223 0.247 0.000 2.325 249 L HA 0.568 4.908 4.340 -0.000 0.000 0.278 249 L C 0.114 177.032 176.870 0.080 0.000 1.023 249 L CA -0.546 54.383 54.840 0.149 0.000 0.811 249 L CB 1.739 43.836 42.059 0.063 0.000 1.249 249 L HN 0.673 nan 8.230 nan 0.000 0.431 250 K N 2.386 122.628 120.400 -0.263 0.000 2.206 250 K HA 0.270 4.590 4.320 -0.000 0.000 0.268 250 K C -0.323 176.161 176.600 -0.193 0.000 1.111 250 K CA -0.228 55.806 56.287 -0.422 0.000 0.955 250 K CB 0.261 32.117 32.500 -1.074 0.000 1.406 250 K HN 0.792 nan 8.250 nan 0.000 0.427 251 T N 1.203 115.716 114.554 -0.068 0.000 2.945 251 T HA 0.325 4.675 4.350 -0.000 0.000 0.286 251 T C -1.727 172.959 174.700 -0.025 0.000 1.025 251 T CA -1.925 60.152 62.100 -0.039 0.000 1.039 251 T CB 1.417 70.281 68.868 -0.007 0.000 1.068 251 T HN 0.209 nan 8.240 nan 0.000 0.497 252 P HA -0.205 nan 4.420 nan 0.000 0.214 252 P C 1.233 178.535 177.300 0.004 0.000 1.172 252 P CA 1.544 64.638 63.100 -0.010 0.000 0.925 252 P CB 0.079 31.774 31.700 -0.007 0.000 0.793 253 Q N -1.636 118.169 119.800 0.008 0.000 2.378 253 Q HA 0.269 4.609 4.340 -0.000 0.000 0.229 253 Q C 1.188 177.201 176.000 0.021 0.000 0.882 253 Q CA 0.400 56.212 55.803 0.015 0.000 0.936 253 Q CB -1.395 27.350 28.738 0.012 0.000 1.092 253 Q HN 0.085 nan 8.270 nan 0.000 0.535 254 G N 1.358 110.170 108.800 0.021 0.000 2.635 254 G HA2 0.099 4.059 3.960 -0.000 0.000 0.264 254 G HA3 0.099 4.059 3.960 -0.000 0.000 0.264 254 G C -0.568 174.354 174.900 0.037 0.000 0.583 254 G CA 0.806 45.923 45.100 0.029 0.000 1.071 254 G HN 0.312 nan 8.290 nan 0.000 0.270 255 D N -0.109 120.311 120.400 0.033 0.000 2.665 255 D HA 0.505 5.145 4.640 -0.000 0.000 0.287 255 D C -1.112 175.206 176.300 0.030 0.000 1.266 255 D CA -0.488 53.532 54.000 0.033 0.000 0.830 255 D CB 1.765 42.581 40.800 0.026 0.000 1.356 255 D HN 0.384 nan 8.370 nan 0.000 0.437 256 V N 2.177 122.107 119.914 0.027 0.000 2.380 256 V HA 0.403 4.523 4.120 -0.000 0.000 0.286 256 V C -0.785 175.321 176.094 0.020 0.000 1.015 256 V CA -0.603 61.712 62.300 0.025 0.000 0.834 256 V CB 1.138 32.976 31.823 0.025 0.000 1.009 256 V HN 0.509 nan 8.190 nan 0.000 0.428 257 Q N 2.841 122.653 119.800 0.020 0.000 2.337 257 Q HA 0.773 5.113 4.340 -0.000 0.000 0.266 257 Q C -0.893 175.119 176.000 0.019 0.000 1.023 257 Q CA -0.685 55.128 55.803 0.018 0.000 0.829 257 Q CB 2.408 31.156 28.738 0.016 0.000 1.306 257 Q HN 0.455 nan 8.270 nan 0.000 0.449 258 S N 2.488 118.199 115.700 0.019 0.000 2.566 258 S HA 0.532 5.002 4.470 -0.000 0.000 0.324 258 S C -0.847 173.764 174.600 0.018 0.000 1.081 258 S CA -0.877 57.336 58.200 0.022 0.000 1.105 258 S CB 0.554 63.770 63.200 0.026 0.000 0.981 258 S HN 0.664 nan 8.310 nan 0.000 0.464 259 R N 0.738 121.248 120.500 0.016 0.000 2.774 259 R HA 0.673 5.013 4.340 -0.000 0.000 0.272 259 R C -1.239 175.066 176.300 0.008 0.000 1.000 259 R CA -0.923 55.183 56.100 0.011 0.000 0.906 259 R CB 0.335 30.641 30.300 0.010 0.000 1.227 259 R HN 0.271 nan 8.270 nan 0.000 0.468 260 V N 2.255 122.171 119.914 0.004 0.000 2.872 260 V HA 0.098 4.218 4.120 -0.000 0.000 0.307 260 V C 0.648 176.742 176.094 0.000 0.000 1.072 260 V CA 0.429 62.728 62.300 -0.001 0.000 1.148 260 V CB 0.360 32.181 31.823 -0.005 0.000 0.954 260 V HN 0.519 nan 8.190 nan 0.000 0.490 261 I N 4.923 125.492 120.570 -0.002 0.000 2.530 261 I HA 0.392 4.562 4.170 -0.000 0.000 0.297 261 I C -2.420 173.695 176.117 -0.003 0.000 1.011 261 I CA -2.150 59.150 61.300 0.001 0.000 1.107 261 I CB 2.274 40.277 38.000 0.005 0.000 1.285 261 I HN 0.445 nan 8.210 nan 0.000 0.436 262 P HA 0.167 nan 4.420 nan 0.000 0.275 262 P C -0.161 177.135 177.300 -0.005 0.000 1.276 262 P CA 0.057 63.155 63.100 -0.004 0.000 0.782 262 P CB 1.154 32.854 31.700 -0.001 0.000 0.851 263 A N 3.417 126.230 122.820 -0.011 0.000 2.085 263 A HA 0.599 4.919 4.320 -0.000 0.000 0.208 263 A C 1.006 178.580 177.584 -0.017 0.000 1.191 263 A CA 0.931 52.963 52.037 -0.009 0.000 0.799 263 A CB -0.481 18.513 19.000 -0.011 0.000 0.877 263 A HN 0.644 nan 8.150 nan 0.000 0.473 264 G N -1.036 107.748 108.800 -0.027 0.000 2.353 264 G HA2 0.101 4.061 3.960 -0.000 0.000 0.615 264 G HA3 0.101 4.061 3.960 -0.000 0.000 0.615 264 G C -1.566 173.283 174.900 -0.086 0.000 1.280 264 G CA -0.414 44.665 45.100 -0.036 0.000 1.000 264 G HN 0.379 nan 8.290 nan 0.000 0.516 265 N N -0.964 117.644 118.700 -0.154 0.000 2.380 265 N HA 0.724 5.464 4.740 -0.000 0.000 0.290 265 N C -0.870 174.343 175.510 -0.496 0.000 1.236 265 N CA -0.588 52.257 53.050 -0.342 0.000 0.780 265 N CB 2.082 40.275 38.487 -0.491 0.000 1.438 265 N HN 0.521 nan 8.380 nan 0.000 0.491 266 L N 1.696 122.611 121.223 -0.513 0.000 2.333 266 L HA 0.437 4.777 4.340 -0.000 0.000 0.280 266 L C -1.125 175.445 176.870 -0.500 0.000 1.004 266 L CA -0.753 53.854 54.840 -0.389 0.000 0.820 266 L CB 0.859 42.811 42.059 -0.177 0.000 1.247 266 L HN 0.430 nan 8.230 nan 0.000 0.416 267 Y N 4.108 124.411 120.300 0.004 0.000 2.385 267 Y HA 0.476 5.026 4.550 -0.000 0.000 0.341 267 Y C 0.126 176.033 175.900 0.011 0.000 0.965 267 Y CA -0.535 57.569 58.100 0.006 0.000 1.180 267 Y CB 0.910 39.373 38.460 0.006 0.000 1.139 267 Y HN 0.371 nan 8.280 nan 0.000 0.502 268 I N 2.857 123.491 120.570 0.107 0.000 2.336 268 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 268 I C -0.200 175.960 176.117 0.072 0.000 0.991 268 I CA -0.329 61.013 61.300 0.070 0.000 1.227 268 I CB 1.243 39.260 38.000 0.029 0.000 1.366 268 I HN 0.484 nan 8.210 nan 0.000 0.466 269 S N 4.505 120.246 115.700 0.068 0.000 2.420 269 S HA 0.518 4.988 4.470 -0.000 0.000 0.313 269 S C 0.396 175.010 174.600 0.023 0.000 1.079 269 S CA -0.662 57.568 58.200 0.050 0.000 1.104 269 S CB 1.235 64.472 63.200 0.061 0.000 0.969 269 S HN 0.816 nan 8.310 nan 0.000 0.471 270 G N 1.028 109.836 108.800 0.013 0.000 2.535 270 G HA2 0.322 4.282 3.960 -0.000 0.000 0.303 270 G HA3 0.322 4.282 3.960 -0.000 0.000 0.303 270 G C 0.582 175.472 174.900 -0.016 0.000 1.237 270 G CA -0.490 44.609 45.100 -0.001 0.000 0.986 270 G HN 0.687 nan 8.290 nan 0.000 0.494 271 E N -0.609 119.577 120.200 -0.022 0.000 2.072 271 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 271 E C 1.867 178.453 176.600 -0.023 0.000 0.985 271 E CA 1.145 57.526 56.400 -0.032 0.000 0.801 271 E CB 0.022 29.704 29.700 -0.030 0.000 0.750 271 E HN 0.508 nan 8.360 nan 0.000 0.452 272 K N -0.381 120.010 120.400 -0.014 0.000 2.286 272 K HA 0.107 4.427 4.320 -0.000 0.000 0.203 272 K C 1.205 177.802 176.600 -0.005 0.000 1.078 272 K CA 0.198 56.479 56.287 -0.010 0.000 0.957 272 K CB 0.401 32.896 32.500 -0.008 0.000 1.018 272 K HN 0.039 nan 8.250 nan 0.000 0.484 273 R N 0.448 120.947 120.500 -0.001 0.000 2.943 273 R HA 0.511 4.851 4.340 -0.000 0.000 0.246 273 R C -0.617 175.690 176.300 0.012 0.000 1.201 273 R CA -0.892 55.211 56.100 0.005 0.000 1.056 273 R CB 1.177 31.481 30.300 0.006 0.000 1.243 273 R HN -0.181 nan 8.270 nan 0.000 0.498 274 R N -1.205 119.307 120.500 0.020 0.000 2.892 274 R HA 0.640 4.979 4.340 -0.000 0.000 0.265 274 R C -0.909 175.414 176.300 0.038 0.000 1.025 274 R CA -0.721 55.399 56.100 0.034 0.000 0.982 274 R CB 2.475 32.799 30.300 0.041 0.000 1.185 274 R HN 0.890 nan 8.270 nan 0.000 0.484 275 G N 0.366 109.198 108.800 0.052 0.000 2.692 275 G HA2 0.480 4.440 3.960 -0.000 0.000 0.291 275 G HA3 0.480 4.440 3.960 -0.000 0.000 0.291 275 G C -1.540 173.391 174.900 0.053 0.000 1.423 275 G CA -0.550 44.575 45.100 0.042 0.000 0.843 275 G HN 0.485 nan 8.290 nan 0.000 0.486 276 E N -1.110 119.104 120.200 0.023 0.000 2.416 276 E HA 0.723 5.073 4.350 -0.000 0.000 0.273 276 E C -0.875 175.682 176.600 -0.071 0.000 0.935 276 E CA -1.177 55.204 56.400 -0.032 0.000 0.784 276 E CB 2.759 32.470 29.700 0.017 0.000 1.301 276 E HN 0.878 nan 8.360 nan 0.000 0.454 277 A N 1.516 124.254 122.820 -0.138 0.000 2.488 277 A HA 0.329 4.649 4.320 -0.000 0.000 0.295 277 A C -1.723 175.780 177.584 -0.135 0.000 1.045 277 A CA -0.784 51.189 52.037 -0.107 0.000 0.703 277 A CB 1.515 20.462 19.000 -0.088 0.000 1.271 277 A HN 0.564 nan 8.150 nan 0.000 0.400 278 D N 2.754 123.098 120.400 -0.092 0.000 2.336 278 D HA 0.279 4.919 4.640 -0.000 0.000 0.249 278 D C 1.257 177.513 176.300 -0.074 0.000 1.213 278 D CA -0.049 53.901 54.000 -0.083 0.000 0.870 278 D CB 1.248 42.017 40.800 -0.051 0.000 1.076 278 D HN 0.158 nan 8.370 nan 0.000 0.483 279 V N 4.410 124.276 119.914 -0.081 0.000 2.380 279 V HA -0.288 3.832 4.120 -0.000 0.000 0.251 279 V C 2.390 178.451 176.094 -0.055 0.000 1.063 279 V CA 2.248 64.508 62.300 -0.066 0.000 1.055 279 V CB -0.785 31.003 31.823 -0.058 0.000 0.657 279 V HN 0.731 nan 8.190 nan 0.000 0.455 280 A N -0.771 122.021 122.820 -0.047 0.000 2.172 280 A HA -0.161 4.158 4.320 -0.000 0.000 0.216 280 A C 2.006 179.565 177.584 -0.041 0.000 1.154 280 A CA 1.253 53.266 52.037 -0.040 0.000 0.701 280 A CB -0.402 18.581 19.000 -0.029 0.000 0.789 280 A HN 0.667 nan 8.150 nan 0.000 0.465 281 E N -0.831 119.343 120.200 -0.043 0.000 2.489 281 E HA 0.348 4.698 4.350 -0.000 0.000 0.193 281 E C 0.766 177.339 176.600 -0.045 0.000 1.057 281 E CA 0.205 56.582 56.400 -0.039 0.000 0.866 281 E CB -0.021 29.659 29.700 -0.034 0.000 0.916 281 E HN 0.673 nan 8.360 nan 0.000 0.500 282 G N 0.391 109.158 108.800 -0.056 0.000 2.619 282 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 282 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 282 G C 0.449 175.313 174.900 -0.059 0.000 1.256 282 G CA -0.522 44.540 45.100 -0.064 0.000 0.826 282 G HN 0.133 nan 8.290 nan 0.000 0.619 283 A N -0.346 122.435 122.820 -0.064 0.000 1.969 283 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 283 A C 2.037 179.594 177.584 -0.043 0.000 1.169 283 A CA 2.332 54.335 52.037 -0.056 0.000 0.635 283 A CB -0.376 18.587 19.000 -0.060 0.000 0.810 283 A HN 1.054 nan 8.150 nan 0.000 0.445 284 E N -0.005 120.172 120.200 -0.038 0.000 2.077 284 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 284 E C 2.094 178.679 176.600 -0.026 0.000 0.989 284 E CA 1.023 57.407 56.400 -0.027 0.000 0.800 284 E CB -0.239 29.449 29.700 -0.020 0.000 0.746 284 E HN 0.545 nan 8.360 nan 0.000 0.452 285 A N 0.848 123.650 122.820 -0.030 0.000 1.969 285 A HA -0.130 4.189 4.320 -0.000 0.000 0.218 285 A C 2.112 179.676 177.584 -0.034 0.000 1.169 285 A CA 1.056 53.075 52.037 -0.029 0.000 0.635 285 A CB -0.494 18.486 19.000 -0.032 0.000 0.810 285 A HN 0.320 nan 8.150 nan 0.000 0.445 286 I N -0.810 119.735 120.570 -0.041 0.000 2.252 286 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 286 I C 2.410 178.506 176.117 -0.035 0.000 1.102 286 I CA 1.063 62.336 61.300 -0.045 0.000 1.385 286 I CB -0.295 37.675 38.000 -0.051 0.000 1.064 286 I HN 0.245 nan 8.210 nan 0.000 0.414 287 M N -0.253 119.329 119.600 -0.031 0.000 2.254 287 M HA -0.126 4.354 4.480 -0.000 0.000 0.265 287 M C 2.232 178.521 176.300 -0.019 0.000 1.066 287 M CA 1.387 56.672 55.300 -0.025 0.000 1.123 287 M CB -1.145 31.441 32.600 -0.024 0.000 1.388 287 M HN 0.217 nan 8.290 nan 0.000 0.425 288 Q N 0.122 119.912 119.800 -0.018 0.000 2.084 288 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 288 Q C 2.229 178.221 176.000 -0.012 0.000 0.978 288 Q CA 1.887 57.682 55.803 -0.013 0.000 0.844 288 Q CB -0.592 28.138 28.738 -0.012 0.000 0.898 288 Q HN 0.559 nan 8.270 nan 0.000 0.426 289 A N 0.220 123.030 122.820 -0.017 0.000 1.969 289 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 289 A C 2.063 179.640 177.584 -0.010 0.000 1.169 289 A CA 1.137 53.165 52.037 -0.014 0.000 0.635 289 A CB -0.292 18.694 19.000 -0.023 0.000 0.810 289 A HN 0.220 nan 8.150 nan 0.000 0.445 290 M N -0.199 119.393 119.600 -0.013 0.000 2.132 290 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 290 M C 2.316 178.612 176.300 -0.006 0.000 1.065 290 M CA 1.589 56.884 55.300 -0.009 0.000 1.122 290 M CB -1.367 31.226 32.600 -0.013 0.000 1.365 290 M HN 0.410 nan 8.290 nan 0.000 0.411 291 S N 0.889 116.584 115.700 -0.008 0.000 2.368 291 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 291 S C 2.055 176.652 174.600 -0.004 0.000 1.029 291 S CA 1.226 59.422 58.200 -0.007 0.000 0.988 291 S CB -0.330 62.865 63.200 -0.007 0.000 0.838 291 S HN 0.559 nan 8.310 nan 0.000 0.462 292 A N 0.031 122.849 122.820 -0.004 0.000 2.019 292 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 292 A C 2.007 179.592 177.584 0.000 0.000 1.164 292 A CA 1.324 53.361 52.037 -0.002 0.000 0.644 292 A CB -0.801 18.198 19.000 -0.001 0.000 0.805 292 A HN 0.626 nan 8.150 nan 0.000 0.449 293 C N -0.563 118.738 119.300 0.001 0.000 2.791 293 C HA 0.588 5.047 4.460 -0.000 0.000 0.270 293 C C 1.486 176.475 174.990 -0.000 0.000 1.257 293 C CA -0.808 58.211 59.018 0.003 0.000 1.699 293 C CB -1.756 25.989 27.740 0.008 0.000 1.904 293 C HN 0.653 nan 8.230 nan 0.000 0.603 294 A N 3.237 126.056 122.820 -0.002 0.000 2.511 294 A HA 0.421 4.741 4.320 -0.000 0.000 0.242 294 A C -1.836 175.745 177.584 -0.006 0.000 1.069 294 A CA -0.185 51.850 52.037 -0.003 0.000 0.763 294 A CB -0.163 18.835 19.000 -0.004 0.000 1.001 294 A HN 0.424 nan 8.150 nan 0.000 0.498 295 P HA 0.295 nan 4.420 nan 0.000 0.285 295 P C -0.549 176.746 177.300 -0.009 0.000 1.259 295 P CA -0.256 62.840 63.100 -0.007 0.000 0.794 295 P CB 1.070 32.764 31.700 -0.010 0.000 0.940 296 V N 5.468 125.380 119.914 -0.003 0.000 2.637 296 V HA 0.078 4.198 4.120 -0.000 0.000 0.296 296 V C 1.750 177.840 176.094 -0.006 0.000 1.046 296 V CA 0.099 62.400 62.300 0.002 0.000 1.066 296 V CB 0.633 32.462 31.823 0.011 0.000 0.968 296 V HN 0.563 nan 8.190 nan 0.000 0.483 297 R N 1.918 122.410 120.500 -0.013 0.000 2.221 297 R HA 0.319 4.659 4.340 -0.000 0.000 0.195 297 R C -0.011 176.301 176.300 0.021 0.000 0.956 297 R CA 0.186 56.256 56.100 -0.050 0.000 1.064 297 R CB 0.063 30.291 30.300 -0.119 0.000 1.049 297 R HN 0.843 nan 8.270 nan 0.000 0.534 298 D N -0.993 119.454 120.400 0.079 0.000 2.648 298 D HA 0.453 5.093 4.640 -0.000 0.000 0.244 298 D C -1.389 174.975 176.300 0.107 0.000 1.244 298 D CA -0.464 53.632 54.000 0.159 0.000 0.772 298 D CB 1.725 42.712 40.800 0.312 0.000 1.379 298 D HN -0.134 nan 8.370 nan 0.000 0.428 299 I N 1.365 121.993 120.570 0.097 0.000 2.686 299 I HA 0.562 4.732 4.170 -0.000 0.000 0.295 299 I C -0.423 175.743 176.117 0.082 0.000 1.114 299 I CA -0.754 60.592 61.300 0.077 0.000 1.038 299 I CB 2.248 40.276 38.000 0.046 0.000 1.238 299 I HN 0.196 nan 8.210 nan 0.000 0.420 300 R N 2.595 123.161 120.500 0.112 0.000 2.771 300 R HA 0.789 5.129 4.340 -0.000 0.000 0.274 300 R C -0.449 175.942 176.300 0.151 0.000 0.987 300 R CA -0.852 55.328 56.100 0.133 0.000 0.908 300 R CB 2.395 32.798 30.300 0.170 0.000 1.213 300 R HN 0.783 nan 8.270 nan 0.000 0.468 301 G N 0.299 109.171 108.800 0.120 0.000 2.788 301 G HA2 0.406 4.366 3.960 -0.000 0.000 0.293 301 G HA3 0.406 4.366 3.960 -0.000 0.000 0.293 301 G C -1.042 173.946 174.900 0.146 0.000 1.305 301 G CA -0.620 44.531 45.100 0.085 0.000 1.005 301 G HN 0.456 nan 8.290 nan 0.000 0.496 302 E N 1.160 121.424 120.200 0.108 0.000 2.301 302 E HA 0.266 4.616 4.350 -0.000 0.000 0.275 302 E C -2.094 174.535 176.600 0.048 0.000 1.030 302 E CA -1.461 55.010 56.400 0.117 0.000 0.852 302 E CB 1.690 31.452 29.700 0.103 0.000 1.060 302 E HN 0.238 nan 8.360 nan 0.000 0.401 303 P HA -0.011 nan 4.420 nan 0.000 0.271 303 P C 0.510 177.802 177.300 -0.013 0.000 1.218 303 P CA 0.358 63.462 63.100 0.007 0.000 0.780 303 P CB 0.816 32.519 31.700 0.005 0.000 0.901 304 G N 1.115 109.894 108.800 -0.033 0.000 2.176 304 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.253 304 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.253 304 G C 0.271 175.105 174.900 -0.110 0.000 0.979 304 G CA 0.457 45.520 45.100 -0.062 0.000 0.641 304 G HN 0.938 nan 8.290 nan 0.000 0.530 305 T N -3.846 110.651 114.554 -0.096 0.000 2.952 305 T HA 0.670 5.020 4.350 -0.000 0.000 0.286 305 T C 0.971 175.590 174.700 -0.136 0.000 1.024 305 T CA 0.303 62.324 62.100 -0.131 0.000 1.029 305 T CB 1.629 70.469 68.868 -0.047 0.000 1.094 305 T HN 0.218 nan 8.240 nan 0.000 0.515 306 H N 0.597 119.663 119.070 -0.007 0.000 2.326 306 H HA 0.151 4.707 4.556 -0.000 0.000 0.301 306 H C 2.535 177.857 175.328 -0.010 0.000 1.081 306 H CA 1.666 57.710 56.048 -0.008 0.000 1.334 306 H CB -0.266 29.489 29.762 -0.011 0.000 1.385 306 H HN 0.788 nan 8.280 nan 0.000 0.504 307 A N 0.616 123.499 122.820 0.104 0.000 1.877 307 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 307 A C 2.660 180.263 177.584 0.031 0.000 1.186 307 A CA 1.675 53.740 52.037 0.047 0.000 0.620 307 A CB -1.354 17.655 19.000 0.015 0.000 0.822 307 A HN 0.517 nan 8.150 nan 0.000 0.443 308 G N -0.680 108.133 108.800 0.022 0.000 2.446 308 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.217 308 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.217 308 G C 1.569 176.481 174.900 0.019 0.000 1.168 308 G CA 1.362 46.475 45.100 0.022 0.000 0.771 308 G HN 0.758 nan 8.290 nan 0.000 0.551 309 G N 0.423 109.232 108.800 0.015 0.000 2.440 309 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 309 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 309 G C 1.762 176.677 174.900 0.025 0.000 1.154 309 G CA 1.221 46.331 45.100 0.017 0.000 0.767 309 G HN 0.335 nan 8.290 nan 0.000 0.552 310 M N 0.272 119.894 119.600 0.037 0.000 2.086 310 M HA 0.026 4.506 4.480 -0.000 0.000 0.261 310 M C 2.563 178.874 176.300 0.018 0.000 1.067 310 M CA 1.358 56.676 55.300 0.029 0.000 1.116 310 M CB -0.539 32.081 32.600 0.032 0.000 1.348 310 M HN 0.250 nan 8.290 nan 0.000 0.407 311 L N 0.098 121.332 121.223 0.018 0.000 2.083 311 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 311 L C 2.367 179.242 176.870 0.008 0.000 1.083 311 L CA 1.081 55.929 54.840 0.014 0.000 0.752 311 L CB -0.691 41.379 42.059 0.019 0.000 0.899 311 L HN 0.271 nan 8.230 nan 0.000 0.433 312 E N -0.321 119.884 120.200 0.008 0.000 2.216 312 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 312 E C 2.218 178.817 176.600 -0.001 0.000 0.988 312 E CA 0.498 56.897 56.400 -0.001 0.000 0.834 312 E CB -0.069 29.630 29.700 -0.001 0.000 0.772 312 E HN 0.383 nan 8.360 nan 0.000 0.479 313 R N 0.456 120.959 120.500 0.006 0.000 2.070 313 R HA -0.073 4.267 4.340 -0.000 0.000 0.233 313 R C 2.401 178.704 176.300 0.005 0.000 1.137 313 R CA 1.118 57.222 56.100 0.007 0.000 0.945 313 R CB -0.480 29.828 30.300 0.013 0.000 0.845 313 R HN 0.021 nan 8.270 nan 0.000 0.430 314 V N 0.976 120.893 119.914 0.006 0.000 2.287 314 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 314 V C 2.562 178.657 176.094 0.001 0.000 1.053 314 V CA 1.983 64.286 62.300 0.006 0.000 1.027 314 V CB -0.509 31.319 31.823 0.008 0.000 0.646 314 V HN 0.356 nan 8.190 nan 0.000 0.447 315 R N 0.108 120.604 120.500 -0.006 0.000 2.083 315 R HA -0.243 4.097 4.340 -0.000 0.000 0.237 315 R C 2.443 178.732 176.300 -0.017 0.000 1.137 315 R CA 2.335 58.423 56.100 -0.020 0.000 0.951 315 R CB -0.332 29.947 30.300 -0.035 0.000 0.851 315 R HN 0.483 nan 8.270 nan 0.000 0.434 316 K N -0.152 120.242 120.400 -0.011 0.000 2.097 316 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 316 K C 1.825 178.425 176.600 0.001 0.000 1.050 316 K CA 1.350 57.633 56.287 -0.006 0.000 0.938 316 K CB 0.133 32.630 32.500 -0.005 0.000 0.718 316 K HN 0.091 nan 8.250 nan 0.000 0.442 317 V N 1.333 121.249 119.914 0.003 0.000 2.307 317 V HA -0.255 3.864 4.120 -0.000 0.000 0.245 317 V C 2.392 178.492 176.094 0.011 0.000 1.045 317 V CA 1.872 64.177 62.300 0.007 0.000 1.024 317 V CB -0.401 31.427 31.823 0.008 0.000 0.651 317 V HN 0.457 nan 8.190 nan 0.000 0.449 318 M N 1.046 120.653 119.600 0.011 0.000 2.159 318 M HA -0.030 4.449 4.480 -0.000 0.000 0.263 318 M C 2.010 178.329 176.300 0.032 0.000 1.063 318 M CA 2.109 57.420 55.300 0.020 0.000 1.110 318 M CB -0.811 31.799 32.600 0.016 0.000 1.374 318 M HN 0.235 nan 8.290 nan 0.000 0.411 319 A N -1.295 121.540 122.820 0.025 0.000 1.877 319 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 319 A C 2.364 179.969 177.584 0.035 0.000 1.186 319 A CA 2.159 54.222 52.037 0.044 0.000 0.620 319 A CB -1.405 17.607 19.000 0.019 0.000 0.822 319 A HN 0.590 nan 8.150 nan 0.000 0.443 320 S N -0.932 114.777 115.700 0.016 0.000 2.383 320 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 320 S C 1.893 176.495 174.600 0.003 0.000 1.026 320 S CA 1.428 59.631 58.200 0.005 0.000 0.981 320 S CB -0.416 62.785 63.200 0.003 0.000 0.818 320 S HN 0.465 nan 8.310 nan 0.000 0.472 321 L N 1.992 123.222 121.223 0.011 0.000 2.093 321 L HA 0.065 4.405 4.340 -0.000 0.000 0.208 321 L C 2.284 179.159 176.870 0.007 0.000 1.085 321 L CA 2.436 57.282 54.840 0.009 0.000 0.755 321 L CB -1.103 40.965 42.059 0.015 0.000 0.904 321 L HN 0.542 nan 8.230 nan 0.000 0.435 322 T N -3.923 110.645 114.554 0.024 0.000 3.122 322 T HA 0.330 4.680 4.350 -0.000 0.000 0.250 322 T C 1.332 175.980 174.700 -0.086 0.000 1.067 322 T CA 0.149 62.262 62.100 0.022 0.000 0.966 322 T CB -0.456 68.502 68.868 0.151 0.000 1.002 322 T HN 0.573 nan 8.240 nan 0.000 0.542 323 G N 1.527 110.286 108.800 -0.068 0.000 2.258 323 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.274 323 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.274 323 G C 0.010 174.807 174.900 -0.171 0.000 1.021 323 G CA 0.398 45.429 45.100 -0.115 0.000 0.798 323 G HN 0.692 nan 8.290 nan 0.000 0.507 324 H N -0.136 118.927 119.070 -0.011 0.000 2.570 324 H HA 0.465 5.021 4.556 -0.000 0.000 0.342 324 H C 0.480 175.793 175.328 -0.026 0.000 1.245 324 H CA -0.480 55.559 56.048 -0.015 0.000 1.318 324 H CB 1.002 30.756 29.762 -0.014 0.000 1.694 324 H HN 0.435 nan 8.280 nan 0.000 0.592 325 E N 0.713 121.004 120.200 0.151 0.000 2.313 325 E HA 0.090 4.440 4.350 -0.000 0.000 0.272 325 E C 1.018 177.613 176.600 -0.008 0.000 1.038 325 E CA -0.390 56.036 56.400 0.044 0.000 0.863 325 E CB 1.205 30.921 29.700 0.027 0.000 1.060 325 E HN 0.445 nan 8.360 nan 0.000 0.402 326 M N 1.070 120.649 119.600 -0.035 0.000 2.530 326 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 326 M C 1.331 177.538 176.300 -0.155 0.000 1.067 326 M CA 1.069 56.322 55.300 -0.079 0.000 1.071 326 M CB -0.055 32.510 32.600 -0.059 0.000 1.405 326 M HN 0.351 nan 8.290 nan 0.000 0.478 327 S N 0.154 115.769 115.700 -0.142 0.000 2.496 327 S HA 0.124 4.594 4.470 -0.000 0.000 0.224 327 S C 1.696 176.099 174.600 -0.328 0.000 0.996 327 S CA 0.746 58.830 58.200 -0.194 0.000 0.927 327 S CB 0.056 63.200 63.200 -0.094 0.000 0.774 327 S HN 0.555 nan 8.310 nan 0.000 0.524 328 A N 0.625 123.277 122.820 -0.280 0.000 2.348 328 A HA 0.386 4.706 4.320 -0.000 0.000 0.224 328 A C 0.328 177.677 177.584 -0.391 0.000 1.227 328 A CA -0.075 51.791 52.037 -0.284 0.000 0.885 328 A CB 0.133 19.003 19.000 -0.217 0.000 0.933 328 A HN 0.290 nan 8.150 nan 0.000 0.506 329 I N 0.948 121.238 120.570 -0.466 0.000 2.321 329 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 329 I C -1.101 174.742 176.117 -0.456 0.000 0.998 329 I CA -0.695 60.426 61.300 -0.299 0.000 1.227 329 I CB -0.038 37.876 38.000 -0.144 0.000 1.368 329 I HN 0.180 nan 8.210 nan 0.000 0.466 330 Y N 5.656 125.935 120.300 -0.035 0.000 2.429 330 Y HA 0.527 5.077 4.550 -0.000 0.000 0.342 330 Y C 0.366 176.257 175.900 -0.016 0.000 1.004 330 Y CA -0.897 57.189 58.100 -0.022 0.000 1.075 330 Y CB 1.777 40.221 38.460 -0.027 0.000 1.214 330 Y HN 0.307 nan 8.280 nan 0.000 0.455 331 I N 3.147 123.799 120.570 0.138 0.000 2.301 331 I HA 0.149 4.319 4.170 -0.000 0.000 0.292 331 I C 0.334 176.497 176.117 0.076 0.000 1.046 331 I CA -0.251 61.096 61.300 0.078 0.000 1.282 331 I CB 1.392 39.422 38.000 0.051 0.000 1.409 331 I HN 0.719 nan 8.210 nan 0.000 0.484 332 Q N 2.717 122.551 119.800 0.058 0.000 2.245 332 Q HA -0.008 4.332 4.340 -0.000 0.000 0.201 332 Q C -0.142 175.878 176.000 0.033 0.000 0.955 332 Q CA 1.032 56.860 55.803 0.041 0.000 0.870 332 Q CB 0.135 28.891 28.738 0.030 0.000 0.945 332 Q HN 0.671 nan 8.270 nan 0.000 0.461 333 D N -1.620 118.799 120.400 0.031 0.000 2.609 333 D HA 0.572 5.212 4.640 -0.000 0.000 0.239 333 D C -1.937 174.370 176.300 0.012 0.000 1.229 333 D CA -0.616 53.397 54.000 0.022 0.000 0.808 333 D CB 1.499 42.315 40.800 0.027 0.000 1.448 333 D HN -0.034 nan 8.370 nan 0.000 0.433 334 L N 2.263 123.486 121.223 0.001 0.000 2.505 334 L HA 0.687 5.027 4.340 -0.000 0.000 0.259 334 L C -2.198 174.658 176.870 -0.023 0.000 0.952 334 L CA -0.885 53.948 54.840 -0.011 0.000 0.840 334 L CB 1.660 43.712 42.059 -0.010 0.000 1.358 334 L HN 0.505 nan 8.230 nan 0.000 0.409 335 L N 4.452 125.654 121.223 -0.035 0.000 2.362 335 L HA 0.951 5.291 4.340 -0.000 0.000 0.275 335 L C -0.906 175.933 176.870 -0.052 0.000 0.998 335 L CA -0.059 54.753 54.840 -0.047 0.000 0.820 335 L CB 1.744 43.764 42.059 -0.065 0.000 1.270 335 L HN 0.692 nan 8.230 nan 0.000 0.415 336 A N 4.800 127.589 122.820 -0.052 0.000 2.355 336 A HA 0.840 5.160 4.320 -0.000 0.000 0.317 336 A C -1.107 176.442 177.584 -0.060 0.000 1.094 336 A CA -0.166 51.838 52.037 -0.055 0.000 0.764 336 A CB 1.552 20.521 19.000 -0.052 0.000 1.230 336 A HN 1.293 nan 8.150 nan 0.000 0.448 337 V N -0.651 119.223 119.914 -0.067 0.000 2.876 337 V HA 0.647 4.767 4.120 -0.000 0.000 0.312 337 V C -1.158 174.887 176.094 -0.081 0.000 1.085 337 V CA -1.051 61.209 62.300 -0.067 0.000 0.945 337 V CB 2.055 33.838 31.823 -0.067 0.000 1.017 337 V HN 0.720 nan 8.190 nan 0.000 0.428 338 D N 1.963 122.310 120.400 -0.087 0.000 2.256 338 D HA 0.687 5.327 4.640 -0.000 0.000 0.250 338 D C 0.025 176.230 176.300 -0.159 0.000 1.093 338 D CA 0.330 54.244 54.000 -0.142 0.000 0.882 338 D CB 2.130 42.844 40.800 -0.143 0.000 1.185 338 D HN 0.945 nan 8.370 nan 0.000 0.437 339 T N 0.477 114.870 114.554 -0.268 0.000 2.626 339 T HA 0.630 4.980 4.350 -0.000 0.000 0.299 339 T C -1.798 172.592 174.700 -0.516 0.000 1.181 339 T CA -0.487 61.487 62.100 -0.210 0.000 1.053 339 T CB 0.326 69.168 68.868 -0.044 0.000 1.566 339 T HN 0.168 nan 8.240 nan 0.000 0.486 340 F N 0.646 120.589 119.950 -0.012 0.000 2.588 340 F HA 0.757 5.284 4.527 -0.000 0.000 0.310 340 F C -0.752 175.042 175.800 -0.009 0.000 1.082 340 F CA -0.919 57.076 58.000 -0.008 0.000 0.929 340 F CB 1.757 40.755 39.000 -0.004 0.000 1.254 340 F HN 0.348 nan 8.300 nan 0.000 0.455 341 I N 2.291 122.954 120.570 0.155 0.000 2.498 341 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 341 I C -2.769 173.402 176.117 0.091 0.000 1.032 341 I CA -2.639 58.714 61.300 0.087 0.000 1.073 341 I CB 1.438 39.458 38.000 0.034 0.000 1.251 341 I HN 0.190 nan 8.210 nan 0.000 0.426 342 P HA 0.335 nan 4.420 nan 0.000 0.281 342 P C -0.814 176.513 177.300 0.045 0.000 1.252 342 P CA -0.371 62.764 63.100 0.057 0.000 0.778 342 P CB 1.062 32.787 31.700 0.042 0.000 0.895 343 R N 2.048 122.575 120.500 0.045 0.000 2.686 343 R HA 0.346 4.686 4.340 -0.000 0.000 0.283 343 R C 0.029 176.349 176.300 0.034 0.000 0.978 343 R CA -1.218 54.904 56.100 0.037 0.000 0.897 343 R CB 1.990 32.313 30.300 0.038 0.000 1.192 343 R HN 0.492 nan 8.270 nan 0.000 0.457 344 K N 1.587 122.004 120.400 0.029 0.000 2.412 344 K HA 0.127 4.447 4.320 -0.000 0.000 0.281 344 K C -0.477 176.138 176.600 0.026 0.000 1.027 344 K CA -0.188 56.115 56.287 0.026 0.000 0.989 344 K CB 0.649 33.162 32.500 0.022 0.000 0.935 344 K HN 0.250 nan 8.250 nan 0.000 0.475 345 V N 5.007 124.937 119.914 0.026 0.000 2.415 345 V HA 0.008 4.128 4.120 -0.000 0.000 0.267 345 V C 0.198 176.304 176.094 0.019 0.000 1.042 345 V CA -0.368 61.946 62.300 0.025 0.000 1.000 345 V CB 0.720 32.559 31.823 0.027 0.000 1.015 345 V HN 0.784 nan 8.190 nan 0.000 0.478 346 Q N 3.138 122.950 119.800 0.019 0.000 2.311 346 Q HA 0.445 4.785 4.340 -0.000 0.000 0.272 346 Q C 1.151 177.159 176.000 0.014 0.000 1.012 346 Q CA 1.519 57.331 55.803 0.015 0.000 0.891 346 Q CB 0.764 29.512 28.738 0.015 0.000 1.201 346 Q HN 1.050 nan 8.270 nan 0.000 0.391 347 G N 1.822 110.628 108.800 0.010 0.000 2.213 347 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.236 347 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.236 347 G C 0.470 175.374 174.900 0.007 0.000 0.991 347 G CA -0.227 44.879 45.100 0.010 0.000 0.629 347 G HN 0.969 nan 8.290 nan 0.000 0.517 348 G N -0.302 108.501 108.800 0.005 0.000 2.491 348 G HA2 0.497 4.457 3.960 -0.000 0.000 0.242 348 G HA3 0.497 4.457 3.960 -0.000 0.000 0.242 348 G C 0.799 175.687 174.900 -0.020 0.000 1.266 348 G CA 0.196 45.295 45.100 -0.002 0.000 0.844 348 G HN 0.378 nan 8.290 nan 0.000 0.571 349 M N 1.605 121.180 119.600 -0.041 0.000 2.346 349 M HA 0.285 4.765 4.480 -0.000 0.000 0.280 349 M C 1.284 177.507 176.300 -0.128 0.000 1.075 349 M CA 0.100 55.363 55.300 -0.061 0.000 0.989 349 M CB 1.126 33.699 32.600 -0.045 0.000 1.447 349 M HN 0.569 nan 8.290 nan 0.000 0.511 350 A N -0.028 122.685 122.820 -0.178 0.000 2.592 350 A HA 0.607 4.927 4.320 -0.000 0.000 0.290 350 A C 1.148 178.634 177.584 -0.164 0.000 0.998 350 A CA 0.236 52.069 52.037 -0.339 0.000 0.983 350 A CB -0.146 18.277 19.000 -0.960 0.000 1.240 350 A HN 0.559 nan 8.150 nan 0.000 0.535 351 G N 0.220 108.982 108.800 -0.065 0.000 2.160 351 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.251 351 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.251 351 G C -0.168 174.749 174.900 0.027 0.000 1.008 351 G CA 0.367 45.463 45.100 -0.007 0.000 0.724 351 G HN 0.605 nan 8.290 nan 0.000 0.514 352 E N -0.665 119.553 120.200 0.031 0.000 2.481 352 E HA 0.427 4.777 4.350 -0.000 0.000 0.263 352 E C 0.673 177.298 176.600 0.042 0.000 0.992 352 E CA 0.445 56.878 56.400 0.056 0.000 0.938 352 E CB 0.613 30.344 29.700 0.053 0.000 0.933 352 E HN 0.351 nan 8.360 nan 0.000 0.453 353 C N 2.033 121.359 119.300 0.044 0.000 2.848 353 C HA 0.944 5.404 4.460 -0.000 0.000 0.317 353 C C -0.472 174.539 174.990 0.035 0.000 1.260 353 C CA -0.221 58.819 59.018 0.037 0.000 1.656 353 C CB 1.235 28.996 27.740 0.035 0.000 2.174 353 C HN 0.798 nan 8.230 nan 0.000 0.479 354 A N 2.165 125.007 122.820 0.037 0.000 2.605 354 A HA 0.739 5.059 4.320 -0.000 0.000 0.294 354 A C -1.260 176.357 177.584 0.055 0.000 1.062 354 A CA -0.429 51.631 52.037 0.039 0.000 0.682 354 A CB 0.911 19.936 19.000 0.041 0.000 1.278 354 A HN 0.673 nan 8.150 nan 0.000 0.410 355 M N 2.621 122.258 119.600 0.062 0.000 2.105 355 M HA 0.324 4.804 4.480 -0.000 0.000 0.350 355 M C -0.296 176.126 176.300 0.204 0.000 1.308 355 M CA 0.138 55.510 55.300 0.121 0.000 1.108 355 M CB 0.169 32.801 32.600 0.054 0.000 1.622 355 M HN 0.620 nan 8.290 nan 0.000 0.468 356 E N 2.421 122.729 120.200 0.179 0.000 2.248 356 E HA 0.372 4.722 4.350 -0.000 0.000 0.272 356 E C -0.202 176.451 176.600 0.088 0.000 1.008 356 E CA -0.551 55.927 56.400 0.130 0.000 0.856 356 E CB 1.062 30.799 29.700 0.062 0.000 1.120 356 E HN 0.445 nan 8.360 nan 0.000 0.397 357 N N 0.400 119.083 118.700 -0.029 0.000 2.453 357 N HA 0.360 5.100 4.740 -0.000 0.000 0.253 357 N C -0.506 174.888 175.510 -0.193 0.000 1.252 357 N CA 0.232 53.123 53.050 -0.264 0.000 0.917 357 N CB 1.077 39.435 38.487 -0.214 0.000 1.117 357 N HN 0.471 nan 8.380 nan 0.000 0.442 358 A N 0.682 123.343 122.820 -0.265 0.000 2.609 358 A HA 0.603 4.923 4.320 -0.000 0.000 0.291 358 A C -1.293 176.194 177.584 -0.161 0.000 1.096 358 A CA -0.609 51.334 52.037 -0.157 0.000 0.684 358 A CB 1.344 20.277 19.000 -0.110 0.000 1.282 358 A HN 0.309 nan 8.150 nan 0.000 0.412 359 V N 0.977 120.827 119.914 -0.107 0.000 2.443 359 V HA 0.638 4.758 4.120 -0.000 0.000 0.293 359 V C 0.650 176.699 176.094 -0.075 0.000 1.021 359 V CA -0.086 62.158 62.300 -0.094 0.000 0.848 359 V CB 1.515 33.291 31.823 -0.077 0.000 0.998 359 V HN 1.343 nan 8.190 nan 0.000 0.424 360 G N 4.851 113.605 108.800 -0.076 0.000 2.356 360 G HA2 0.706 4.666 3.960 -0.000 0.000 0.298 360 G HA3 0.706 4.666 3.960 -0.000 0.000 0.298 360 G C -0.701 174.163 174.900 -0.061 0.000 1.145 360 G CA -0.484 44.576 45.100 -0.067 0.000 0.850 360 G HN 0.551 nan 8.290 nan 0.000 0.487 361 M N 0.965 120.534 119.600 -0.052 0.000 2.530 361 M HA 0.634 5.114 4.480 -0.000 0.000 0.307 361 M C -0.335 175.939 176.300 -0.042 0.000 1.161 361 M CA -0.748 54.525 55.300 -0.045 0.000 0.903 361 M CB 2.866 35.446 32.600 -0.033 0.000 1.711 361 M HN 0.590 nan 8.290 nan 0.000 0.451 362 A N 1.661 124.456 122.820 -0.043 0.000 2.393 362 A HA 0.963 5.283 4.320 -0.000 0.000 0.306 362 A C -1.340 176.230 177.584 -0.024 0.000 1.050 362 A CA -0.618 51.396 52.037 -0.038 0.000 0.724 362 A CB 1.418 20.383 19.000 -0.058 0.000 1.248 362 A HN 0.901 nan 8.150 nan 0.000 0.424 363 A N 2.763 125.576 122.820 -0.012 0.000 2.374 363 A HA 0.857 5.177 4.320 -0.000 0.000 0.317 363 A C -0.574 177.013 177.584 0.006 0.000 1.094 363 A CA -0.522 51.514 52.037 -0.001 0.000 0.765 363 A CB 1.473 20.476 19.000 0.005 0.000 1.268 363 A HN 1.259 nan 8.150 nan 0.000 0.438 364 M N 3.083 122.692 119.600 0.014 0.000 2.327 364 M HA 0.589 5.069 4.480 -0.000 0.000 0.298 364 M C -2.236 174.078 176.300 0.025 0.000 1.065 364 M CA -0.686 54.628 55.300 0.022 0.000 0.916 364 M CB 1.436 34.056 32.600 0.033 0.000 1.630 364 M HN 0.778 nan 8.290 nan 0.000 0.442 365 V N 6.098 126.024 119.914 0.020 0.000 2.483 365 V HA 0.553 4.673 4.120 -0.000 0.000 0.297 365 V C -1.067 175.027 176.094 0.000 0.000 1.027 365 V CA -0.554 61.756 62.300 0.017 0.000 0.855 365 V CB 1.881 33.715 31.823 0.018 0.000 0.995 365 V HN 0.989 nan 8.190 nan 0.000 0.424 366 K N 5.339 125.725 120.400 -0.023 0.000 2.159 366 K HA 0.769 5.089 4.320 -0.000 0.000 0.266 366 K C -0.059 176.513 176.600 -0.048 0.000 0.975 366 K CA -0.395 55.850 56.287 -0.070 0.000 0.865 366 K CB 1.704 34.089 32.500 -0.192 0.000 1.087 366 K HN 0.849 nan 8.250 nan 0.000 0.446 367 A N 4.202 126.999 122.820 -0.038 0.000 2.544 367 A HA -0.002 4.318 4.320 -0.000 0.000 0.301 367 A C 0.151 177.720 177.584 -0.024 0.000 1.368 367 A CA -0.101 51.930 52.037 -0.009 0.000 1.045 367 A CB -0.280 18.724 19.000 0.006 0.000 1.129 367 A HN 0.886 nan 8.150 nan 0.000 0.540 368 D N 3.623 124.013 120.400 -0.016 0.000 2.612 368 D HA -0.083 4.556 4.640 -0.000 0.000 0.260 368 D C 0.121 176.417 176.300 -0.007 0.000 1.315 368 D CA 0.552 54.539 54.000 -0.021 0.000 1.376 368 D CB -0.588 40.206 40.800 -0.010 0.000 1.147 368 D HN 0.635 nan 8.370 nan 0.000 0.521 369 R N 0.800 121.290 120.500 -0.017 0.000 1.235 369 R HA -0.184 4.156 4.340 -0.000 0.000 0.398 369 R C 0.327 176.632 176.300 0.009 0.000 1.356 369 R CA -0.193 55.904 56.100 -0.005 0.000 1.398 369 R CB -0.047 30.250 30.300 -0.004 0.000 3.821 369 R HN 0.446 nan 8.270 nan 0.000 0.466 370 L N 3.742 124.969 121.223 0.007 0.000 6.594 370 L HA -0.213 4.127 4.340 -0.000 0.000 0.339 370 L C 0.659 177.536 176.870 0.011 0.000 1.672 370 L CA 1.705 56.551 54.840 0.010 0.000 0.871 370 L CB -1.520 40.544 42.059 0.008 0.000 1.493 370 L HN 0.491 nan 8.230 nan 0.000 0.293 371 Q N 2.562 122.372 119.800 0.017 0.000 2.523 371 Q HA 0.472 4.812 4.340 -0.000 0.000 0.251 371 Q C 0.694 176.702 176.000 0.013 0.000 1.033 371 Q CA -0.094 55.720 55.803 0.019 0.000 0.746 371 Q CB 1.904 30.662 28.738 0.033 0.000 1.189 371 Q HN 0.608 nan 8.270 nan 0.000 0.508 372 M N 0.977 120.579 119.600 0.004 0.000 1.624 372 M HA -0.113 4.367 4.480 -0.000 0.000 0.334 372 M C -0.471 175.826 176.300 -0.004 0.000 0.880 372 M CA 0.471 55.768 55.300 -0.004 0.000 1.111 372 M CB 0.421 33.019 32.600 -0.004 0.000 2.233 372 M HN 0.611 nan 8.290 nan 0.000 0.887 373 Q N 0.906 120.705 119.800 -0.002 0.000 0.831 373 Q HA -0.245 4.095 4.340 -0.000 0.000 0.385 373 Q C 0.087 176.084 176.000 -0.005 0.000 1.056 373 Q CA 3.035 58.835 55.803 -0.004 0.000 0.406 373 Q CB -0.667 28.067 28.738 -0.006 0.000 5.334 373 Q HN 0.823 nan 8.270 nan 0.000 0.421 374 V N -3.392 116.518 119.914 -0.007 0.000 0.670 374 V HA -0.309 3.811 4.120 -0.000 0.000 0.092 374 V C 1.587 177.677 176.094 -0.007 0.000 1.095 374 V CA 0.306 62.602 62.300 -0.007 0.000 3.166 374 V CB -1.898 29.922 31.823 -0.005 0.000 0.361 374 V HN 0.959 nan 8.190 nan 0.000 0.339 375 I N 0.609 121.177 120.570 -0.004 0.000 3.642 375 I HA -0.468 3.702 4.170 -0.000 0.000 0.171 375 I C 2.556 178.669 176.117 -0.007 0.000 0.746 375 I CA 3.687 64.986 61.300 -0.003 0.000 1.031 375 I CB -1.536 36.464 38.000 0.001 0.000 0.825 375 I HN 0.994 nan 8.210 nan 0.000 0.296 376 A N 0.134 122.947 122.820 -0.011 0.000 1.863 376 A HA -0.334 3.986 4.320 -0.000 0.000 0.218 376 A C 2.474 180.045 177.584 -0.021 0.000 1.233 376 A CA 2.934 54.959 52.037 -0.019 0.000 0.655 376 A CB -0.948 18.038 19.000 -0.025 0.000 0.839 376 A HN 0.578 nan 8.150 nan 0.000 0.454 377 R N -0.302 120.186 120.500 -0.019 0.000 2.080 377 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 377 R C 2.235 178.527 176.300 -0.014 0.000 1.137 377 R CA 2.044 58.132 56.100 -0.019 0.000 0.943 377 R CB -0.412 29.878 30.300 -0.016 0.000 0.846 377 R HN 0.708 nan 8.270 nan 0.000 0.431 378 E N 0.285 120.479 120.200 -0.011 0.000 2.333 378 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 378 E C 1.934 178.530 176.600 -0.006 0.000 1.007 378 E CA 0.543 56.939 56.400 -0.007 0.000 0.845 378 E CB -0.007 29.689 29.700 -0.005 0.000 0.766 378 E HN 0.473 nan 8.360 nan 0.000 0.507 379 L N 0.314 121.532 121.223 -0.008 0.000 2.049 379 L HA -0.104 4.236 4.340 -0.000 0.000 0.203 379 L C 2.359 179.224 176.870 -0.008 0.000 1.074 379 L CA 1.438 56.274 54.840 -0.006 0.000 0.749 379 L CB -0.298 41.758 42.059 -0.006 0.000 0.907 379 L HN 0.230 nan 8.230 nan 0.000 0.439 380 S N -0.139 115.552 115.700 -0.015 0.000 2.500 380 S HA -0.055 4.415 4.470 -0.000 0.000 0.239 380 S C 1.756 176.348 174.600 -0.014 0.000 0.989 380 S CA 0.675 58.864 58.200 -0.018 0.000 0.951 380 S CB -0.310 62.874 63.200 -0.028 0.000 0.759 380 S HN 0.491 nan 8.310 nan 0.000 0.523 381 A N 3.019 125.833 122.820 -0.011 0.000 1.835 381 A HA 0.105 4.425 4.320 -0.000 0.000 0.213 381 A C 2.264 179.845 177.584 -0.005 0.000 1.210 381 A CA 1.093 53.125 52.037 -0.008 0.000 0.605 381 A CB -0.760 18.236 19.000 -0.007 0.000 0.860 381 A HN 0.529 nan 8.150 nan 0.000 0.447 382 R N -0.893 119.605 120.500 -0.002 0.000 2.152 382 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 382 R C 1.574 177.875 176.300 0.002 0.000 1.117 382 R CA 1.312 57.413 56.100 0.001 0.000 0.981 382 R CB -0.158 30.144 30.300 0.003 0.000 0.870 382 R HN 0.407 nan 8.270 nan 0.000 0.451 383 L N 0.357 121.580 121.223 0.000 0.000 2.416 383 L HA 0.056 4.396 4.340 -0.000 0.000 0.216 383 L C 0.430 177.299 176.870 -0.002 0.000 1.098 383 L CA 0.995 55.835 54.840 0.001 0.000 0.840 383 L CB -0.239 41.820 42.059 0.000 0.000 0.981 383 L HN 0.334 nan 8.230 nan 0.000 0.462 384 Q N 0.960 120.757 119.800 -0.006 0.000 2.475 384 Q HA -0.178 4.162 4.340 -0.000 0.000 0.280 384 Q C -0.726 175.267 176.000 -0.012 0.000 1.234 384 Q CA 0.787 56.585 55.803 -0.008 0.000 0.873 384 Q CB -1.607 27.128 28.738 -0.005 0.000 1.256 384 Q HN 0.422 nan 8.270 nan 0.000 0.475 385 T N -0.259 114.286 114.554 -0.015 0.000 2.896 385 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 385 T C -0.916 173.767 174.700 -0.029 0.000 1.108 385 T CA -0.659 61.429 62.100 -0.020 0.000 1.004 385 T CB 1.642 70.500 68.868 -0.017 0.000 1.159 385 T HN 0.287 nan 8.240 nan 0.000 0.499 386 E N 1.616 121.794 120.200 -0.037 0.000 2.351 386 E HA 0.289 4.639 4.350 -0.000 0.000 0.266 386 E C -1.082 175.473 176.600 -0.075 0.000 1.031 386 E CA -0.140 56.227 56.400 -0.055 0.000 0.911 386 E CB 0.365 30.029 29.700 -0.060 0.000 0.986 386 E HN 0.237 nan 8.360 nan 0.000 0.446 387 V N 5.885 125.747 119.914 -0.086 0.000 2.384 387 V HA 0.229 4.349 4.120 -0.000 0.000 0.287 387 V C -0.358 175.640 176.094 -0.160 0.000 1.020 387 V CA -0.756 61.481 62.300 -0.105 0.000 0.850 387 V CB 1.729 33.514 31.823 -0.063 0.000 0.987 387 V HN 0.467 nan 8.190 nan 0.000 0.436 388 V N 5.879 125.628 119.914 -0.274 0.000 2.357 388 V HA 0.305 4.425 4.120 -0.000 0.000 0.284 388 V C 0.154 176.097 176.094 -0.252 0.000 1.018 388 V CA -0.733 61.366 62.300 -0.335 0.000 0.841 388 V CB 1.928 33.371 31.823 -0.633 0.000 0.991 388 V HN 0.626 nan 8.190 nan 0.000 0.437 389 V N 5.696 125.527 119.914 -0.137 0.000 2.475 389 V HA 0.139 4.258 4.120 -0.000 0.000 0.292 389 V C 1.436 177.502 176.094 -0.046 0.000 1.003 389 V CA 0.792 63.050 62.300 -0.070 0.000 1.120 389 V CB 0.233 32.030 31.823 -0.043 0.000 0.937 389 V HN 1.005 nan 8.190 nan 0.000 0.476 390 G N 4.156 112.959 108.800 0.005 0.000 2.744 390 G HA2 0.395 4.355 3.960 -0.000 0.000 0.257 390 G HA3 0.395 4.355 3.960 -0.000 0.000 0.257 390 G C 0.784 175.717 174.900 0.054 0.000 1.244 390 G CA 0.075 45.218 45.100 0.071 0.000 0.916 390 G HN 1.002 nan 8.290 nan 0.000 0.564 391 G N -1.890 106.952 108.800 0.071 0.000 2.624 391 G HA2 0.360 4.320 3.960 -0.000 0.000 0.217 391 G HA3 0.360 4.320 3.960 -0.000 0.000 0.217 391 G C -0.168 174.756 174.900 0.039 0.000 1.506 391 G CA -0.241 44.888 45.100 0.048 0.000 1.072 391 G HN 0.703 nan 8.290 nan 0.000 0.568 392 V N 1.136 121.070 119.914 0.033 0.000 2.470 392 V HA 0.075 4.195 4.120 -0.000 0.000 0.276 392 V C 1.581 177.696 176.094 0.036 0.000 1.040 392 V CA 0.284 62.603 62.300 0.032 0.000 1.008 392 V CB 0.982 32.822 31.823 0.028 0.000 0.990 392 V HN 0.961 nan 8.190 nan 0.000 0.477 393 E N 4.752 124.977 120.200 0.041 0.000 2.086 393 E HA -0.298 4.052 4.350 -0.000 0.000 0.200 393 E C 2.117 178.739 176.600 0.036 0.000 1.012 393 E CA 1.889 58.315 56.400 0.044 0.000 0.812 393 E CB 0.032 29.766 29.700 0.056 0.000 0.743 393 E HN 0.896 nan 8.360 nan 0.000 0.453 394 A N 1.189 124.031 122.820 0.038 0.000 1.940 394 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 394 A C 1.920 179.512 177.584 0.013 0.000 1.176 394 A CA 1.761 53.812 52.037 0.023 0.000 0.631 394 A CB -0.711 18.304 19.000 0.024 0.000 0.814 394 A HN 0.375 nan 8.150 nan 0.000 0.446 395 N N -0.663 118.047 118.700 0.017 0.000 2.106 395 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 395 N C 1.750 177.265 175.510 0.007 0.000 1.029 395 N CA 1.666 54.722 53.050 0.011 0.000 0.848 395 N CB -0.261 38.234 38.487 0.014 0.000 1.007 395 N HN 0.350 nan 8.380 nan 0.000 0.423 396 M N 1.220 120.828 119.600 0.014 0.000 2.086 396 M HA -0.060 4.420 4.480 -0.000 0.000 0.261 396 M C 2.481 178.782 176.300 0.003 0.000 1.067 396 M CA 0.947 56.253 55.300 0.010 0.000 1.116 396 M CB -1.499 31.114 32.600 0.023 0.000 1.348 396 M HN 0.087 nan 8.290 nan 0.000 0.407 397 A N 0.855 123.679 122.820 0.006 0.000 1.892 397 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 397 A C 2.179 179.759 177.584 -0.007 0.000 1.188 397 A CA 1.556 53.593 52.037 0.000 0.000 0.631 397 A CB -0.784 18.217 19.000 0.001 0.000 0.822 397 A HN 0.398 nan 8.150 nan 0.000 0.447 398 I N -0.201 120.365 120.570 -0.007 0.000 2.226 398 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 398 I C 2.948 179.054 176.117 -0.019 0.000 1.100 398 I CA 1.458 62.751 61.300 -0.012 0.000 1.374 398 I CB -1.589 36.406 38.000 -0.009 0.000 1.057 398 I HN 0.391 nan 8.210 nan 0.000 0.413 399 A N 1.046 123.855 122.820 -0.018 0.000 1.877 399 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 399 A C 2.527 180.093 177.584 -0.030 0.000 1.186 399 A CA 1.973 53.995 52.037 -0.026 0.000 0.620 399 A CB -1.380 17.605 19.000 -0.025 0.000 0.822 399 A HN 0.415 nan 8.150 nan 0.000 0.443 400 G N -0.521 108.265 108.800 -0.024 0.000 2.446 400 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.217 400 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.217 400 G C 1.783 176.667 174.900 -0.027 0.000 1.168 400 G CA 1.641 46.727 45.100 -0.024 0.000 0.771 400 G HN 0.870 nan 8.290 nan 0.000 0.551 401 A N 0.539 123.345 122.820 -0.024 0.000 1.940 401 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 401 A C 2.356 179.915 177.584 -0.041 0.000 1.176 401 A CA 1.324 53.346 52.037 -0.026 0.000 0.631 401 A CB -0.423 18.566 19.000 -0.019 0.000 0.814 401 A HN 0.366 nan 8.150 nan 0.000 0.446 402 L N 0.256 121.450 121.223 -0.049 0.000 2.456 402 L HA -0.107 4.233 4.340 -0.000 0.000 0.224 402 L C 2.554 179.380 176.870 -0.074 0.000 1.148 402 L CA 1.386 56.183 54.840 -0.071 0.000 0.825 402 L CB -0.454 41.565 42.059 -0.067 0.000 0.937 402 L HN 0.660 nan 8.230 nan 0.000 0.450 403 T N -5.498 109.022 114.554 -0.057 0.000 3.113 403 T HA -0.013 4.337 4.350 -0.000 0.000 0.256 403 T C 0.963 175.631 174.700 -0.054 0.000 1.131 403 T CA -0.016 62.051 62.100 -0.056 0.000 1.074 403 T CB -0.477 68.363 68.868 -0.046 0.000 0.944 403 T HN 0.055 nan 8.240 nan 0.000 0.516 404 T N 4.683 119.205 114.554 -0.053 0.000 2.853 404 T HA 0.280 4.630 4.350 -0.000 0.000 0.298 404 T C -2.443 172.221 174.700 -0.060 0.000 0.978 404 T CA -0.766 61.307 62.100 -0.045 0.000 1.152 404 T CB 0.752 69.600 68.868 -0.034 0.000 0.914 404 T HN 0.219 nan 8.240 nan 0.000 0.539 405 P HA 0.196 nan 4.420 nan 0.000 0.266 405 P C 1.046 178.313 177.300 -0.055 0.000 1.195 405 P CA 0.663 63.734 63.100 -0.048 0.000 0.768 405 P CB 0.308 31.992 31.700 -0.026 0.000 0.838 406 G N 0.906 109.659 108.800 -0.079 0.000 2.184 406 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 406 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 406 G C 0.386 175.140 174.900 -0.244 0.000 0.975 406 G CA 0.177 45.228 45.100 -0.082 0.000 0.642 406 G HN 0.871 nan 8.290 nan 0.000 0.536 407 C N -0.945 118.139 119.300 -0.360 0.000 2.423 407 C HA 1.108 5.568 4.460 -0.000 0.000 0.378 407 C C 0.563 175.092 174.990 -0.768 0.000 1.244 407 C CA -0.013 58.533 59.018 -0.787 0.000 1.978 407 C CB 1.614 29.146 27.740 -0.346 0.000 2.252 407 C HN 2.317 nan 8.230 nan 0.000 0.526 408 A N 0.063 122.335 122.820 -0.913 0.000 2.522 408 A HA 0.794 5.114 4.320 -0.000 0.000 0.291 408 A C -0.521 176.951 177.584 -0.187 0.000 1.039 408 A CA -0.030 51.747 52.037 -0.433 0.000 0.643 408 A CB -0.069 18.712 19.000 -0.365 0.000 1.310 408 A HN 2.579 nan 8.150 nan 0.000 0.436 409 A N 1.242 124.027 122.820 -0.059 0.000 2.386 409 A HA 0.694 5.014 4.320 -0.000 0.000 0.248 409 A C -1.999 175.640 177.584 0.093 0.000 1.082 409 A CA -0.918 51.137 52.037 0.030 0.000 0.789 409 A CB -0.588 18.416 19.000 0.007 0.000 1.025 409 A HN 0.693 nan 8.150 nan 0.000 0.490 410 P HA 0.295 nan 4.420 nan 0.000 0.271 410 P C -1.023 176.351 177.300 0.124 0.000 1.220 410 P CA -0.013 63.137 63.100 0.083 0.000 0.768 410 P CB 0.924 32.660 31.700 0.060 0.000 0.848 411 L N 2.287 123.559 121.223 0.081 0.000 2.393 411 L HA 0.810 5.150 4.340 -0.000 0.000 0.260 411 L C -1.697 175.200 176.870 0.044 0.000 1.002 411 L CA -1.037 53.858 54.840 0.093 0.000 0.818 411 L CB 2.048 44.150 42.059 0.072 0.000 1.369 411 L HN 0.498 nan 8.230 nan 0.000 0.412 412 A N 4.323 127.167 122.820 0.041 0.000 2.356 412 A HA 0.785 5.105 4.320 -0.000 0.000 0.310 412 A C -1.071 176.516 177.584 0.006 0.000 1.075 412 A CA -0.497 51.546 52.037 0.010 0.000 0.746 412 A CB 1.146 20.143 19.000 -0.005 0.000 1.221 412 A HN 0.591 nan 8.150 nan 0.000 0.443 413 I N 2.916 123.480 120.570 -0.010 0.000 2.359 413 I HA 0.305 4.475 4.170 -0.000 0.000 0.284 413 I C -0.876 175.225 176.117 -0.026 0.000 1.018 413 I CA -0.176 61.116 61.300 -0.014 0.000 1.173 413 I CB 1.209 39.200 38.000 -0.016 0.000 1.326 413 I HN 0.451 nan 8.210 nan 0.000 0.462 414 L N 5.568 126.775 121.223 -0.027 0.000 2.264 414 L HA 0.343 4.683 4.340 -0.000 0.000 0.289 414 L C 0.104 176.954 176.870 -0.033 0.000 1.044 414 L CA -0.280 54.542 54.840 -0.029 0.000 0.807 414 L CB 0.999 43.045 42.059 -0.022 0.000 1.192 414 L HN 0.542 nan 8.230 nan 0.000 0.425 415 D N 5.428 125.814 120.400 -0.023 0.000 2.441 415 D HA 0.187 4.827 4.640 -0.000 0.000 0.221 415 D C -0.376 175.928 176.300 0.007 0.000 1.156 415 D CA -0.327 53.664 54.000 -0.015 0.000 0.896 415 D CB 0.705 41.505 40.800 -0.001 0.000 1.028 415 D HN 0.343 nan 8.370 nan 0.000 0.509 416 L N 3.909 125.103 121.223 -0.049 0.000 2.385 416 L HA 0.351 4.690 4.340 -0.000 0.000 0.285 416 L C 1.340 178.218 176.870 0.014 0.000 1.125 416 L CA -0.579 54.226 54.840 -0.059 0.000 0.890 416 L CB 0.695 42.454 42.059 -0.500 0.000 1.251 416 L HN 0.260 nan 8.230 nan 0.000 0.445 417 G N 1.422 110.305 108.800 0.138 0.000 2.782 417 G HA2 0.545 4.505 3.960 -0.000 0.000 0.201 417 G HA3 0.545 4.505 3.960 -0.000 0.000 0.201 417 G C 0.657 175.651 174.900 0.156 0.000 1.374 417 G CA 0.309 45.475 45.100 0.109 0.000 1.039 417 G HN 0.549 nan 8.290 nan 0.000 0.576 418 A N -1.502 121.377 122.820 0.100 0.000 1.920 418 A HA 0.404 4.724 4.320 -0.000 0.000 0.209 418 A C 2.219 179.839 177.584 0.060 0.000 1.229 418 A CA 1.663 53.749 52.037 0.082 0.000 0.671 418 A CB -0.423 18.608 19.000 0.052 0.000 0.886 418 A HN 1.024 nan 8.150 nan 0.000 0.461 419 G N -0.821 108.010 108.800 0.053 0.000 2.986 419 G HA2 0.397 4.357 3.960 -0.000 0.000 0.213 419 G HA3 0.397 4.357 3.960 -0.000 0.000 0.213 419 G C 0.408 175.331 174.900 0.038 0.000 1.156 419 G CA 1.085 46.207 45.100 0.035 0.000 0.763 419 G HN 1.168 nan 8.290 nan 0.000 0.547 420 S N -1.888 113.850 115.700 0.063 0.000 2.615 420 S HA 0.548 5.018 4.470 -0.000 0.000 0.268 420 S C -1.285 173.377 174.600 0.103 0.000 1.146 420 S CA -0.632 57.608 58.200 0.067 0.000 0.818 420 S CB 1.694 64.944 63.200 0.082 0.000 1.111 420 S HN -0.078 nan 8.310 nan 0.000 0.465 421 T N 2.356 116.963 114.554 0.089 0.000 2.842 421 T HA 0.535 4.885 4.350 -0.000 0.000 0.308 421 T C -1.554 173.166 174.700 0.034 0.000 1.041 421 T CA -0.531 61.636 62.100 0.111 0.000 0.964 421 T CB 0.510 69.459 68.868 0.134 0.000 0.972 421 T HN 0.553 nan 8.240 nan 0.000 0.460 422 D N 2.283 122.684 120.400 0.001 0.000 2.185 422 D HA 0.682 5.322 4.640 -0.000 0.000 0.247 422 D C -0.417 175.806 176.300 -0.127 0.000 1.027 422 D CA -0.480 53.447 54.000 -0.122 0.000 0.861 422 D CB 2.175 42.917 40.800 -0.097 0.000 1.202 422 D HN 0.590 nan 8.370 nan 0.000 0.453 423 A N 0.455 123.154 122.820 -0.202 0.000 2.435 423 A HA 0.788 5.108 4.320 -0.000 0.000 0.304 423 A C -1.293 176.212 177.584 -0.132 0.000 1.064 423 A CA -0.713 51.249 52.037 -0.126 0.000 0.727 423 A CB 1.928 20.875 19.000 -0.087 0.000 1.284 423 A HN 0.569 nan 8.150 nan 0.000 0.415 424 A N 1.430 124.206 122.820 -0.073 0.000 2.356 424 A HA 0.809 5.129 4.320 -0.000 0.000 0.310 424 A C -0.856 176.710 177.584 -0.030 0.000 1.075 424 A CA -0.343 51.666 52.037 -0.048 0.000 0.746 424 A CB 0.585 19.568 19.000 -0.029 0.000 1.221 424 A HN 0.771 nan 8.150 nan 0.000 0.443 425 I N 1.642 122.199 120.570 -0.022 0.000 2.647 425 I HA 0.523 4.693 4.170 -0.000 0.000 0.295 425 I C -0.933 175.181 176.117 -0.004 0.000 1.078 425 I CA -1.112 60.181 61.300 -0.012 0.000 1.048 425 I CB 2.267 40.258 38.000 -0.016 0.000 1.239 425 I HN 0.392 nan 8.210 nan 0.000 0.421 426 V N 6.227 126.143 119.914 0.003 0.000 2.444 426 V HA 0.376 4.496 4.120 -0.000 0.000 0.294 426 V C -0.188 175.913 176.094 0.011 0.000 1.022 426 V CA -0.328 61.975 62.300 0.005 0.000 0.850 426 V CB 1.615 33.441 31.823 0.004 0.000 0.992 426 V HN 0.853 nan 8.190 nan 0.000 0.426 427 N N 4.043 122.748 118.700 0.008 0.000 2.288 427 N HA 0.257 4.997 4.740 -0.000 0.000 0.237 427 N C 1.351 176.870 175.510 0.015 0.000 1.311 427 N CA 0.371 53.427 53.050 0.010 0.000 0.909 427 N CB 1.251 39.741 38.487 0.006 0.000 1.167 427 N HN 0.826 nan 8.380 nan 0.000 0.476 428 A N 0.863 123.693 122.820 0.016 0.000 2.014 428 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 428 A C 1.640 179.232 177.584 0.014 0.000 1.163 428 A CA 1.266 53.315 52.037 0.020 0.000 0.652 428 A CB -0.221 18.791 19.000 0.020 0.000 0.808 428 A HN 0.746 nan 8.150 nan 0.000 0.449 429 E N -1.384 118.821 120.200 0.010 0.000 2.435 429 E HA 0.253 4.603 4.350 -0.000 0.000 0.195 429 E C 1.281 177.884 176.600 0.005 0.000 1.029 429 E CA 0.842 57.246 56.400 0.007 0.000 0.865 429 E CB -0.038 29.665 29.700 0.005 0.000 0.833 429 E HN 0.729 nan 8.360 nan 0.000 0.510 430 G N 0.728 109.532 108.800 0.006 0.000 2.159 430 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.227 430 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.227 430 G C 0.144 175.046 174.900 0.003 0.000 0.986 430 G CA 0.147 45.249 45.100 0.003 0.000 0.651 430 G HN 0.318 nan 8.290 nan 0.000 0.523 431 Q N 0.422 120.224 119.800 0.004 0.000 2.295 431 Q HA 0.590 4.930 4.340 -0.000 0.000 0.259 431 Q C 0.231 176.233 176.000 0.003 0.000 0.976 431 Q CA -0.498 55.307 55.803 0.004 0.000 0.923 431 Q CB 0.322 29.062 28.738 0.003 0.000 1.185 431 Q HN 0.459 nan 8.270 nan 0.000 0.410 432 I N 3.762 124.334 120.570 0.004 0.000 2.342 432 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 432 I C -0.141 175.980 176.117 0.005 0.000 1.010 432 I CA -0.190 61.112 61.300 0.004 0.000 1.308 432 I CB 1.675 39.678 38.000 0.005 0.000 1.400 432 I HN 0.596 nan 8.210 nan 0.000 0.488 433 T N 4.828 119.383 114.554 0.002 0.000 2.908 433 T HA 0.734 5.084 4.350 -0.000 0.000 0.290 433 T C -0.547 174.151 174.700 -0.004 0.000 1.034 433 T CA -0.627 61.475 62.100 0.003 0.000 1.010 433 T CB 2.010 70.877 68.868 -0.001 0.000 1.068 433 T HN 0.649 nan 8.240 nan 0.000 0.481 434 A N 1.568 124.391 122.820 0.006 0.000 2.365 434 A HA 0.849 5.169 4.320 -0.000 0.000 0.318 434 A C -1.042 176.517 177.584 -0.042 0.000 1.091 434 A CA -0.614 51.410 52.037 -0.022 0.000 0.763 434 A CB 1.147 20.183 19.000 0.060 0.000 1.248 434 A HN 0.647 nan 8.150 nan 0.000 0.442 435 V N 2.220 122.026 119.914 -0.181 0.000 2.709 435 V HA 0.475 4.595 4.120 -0.000 0.000 0.308 435 V C -1.210 174.661 176.094 -0.371 0.000 1.062 435 V CA -0.542 61.673 62.300 -0.142 0.000 0.901 435 V CB 1.939 33.711 31.823 -0.084 0.000 1.003 435 V HN 0.987 nan 8.190 nan 0.000 0.425 436 H N 4.102 123.177 119.070 0.008 0.000 2.727 436 H HA 0.726 5.282 4.556 -0.000 0.000 0.330 436 H C -0.863 174.469 175.328 0.008 0.000 0.986 436 H CA -0.338 55.717 56.048 0.012 0.000 1.251 436 H CB 1.396 31.166 29.762 0.013 0.000 1.493 436 H HN 0.469 nan 8.280 nan 0.000 0.515 437 L N 1.764 123.030 121.223 0.072 0.000 2.342 437 L HA 0.774 5.114 4.340 -0.000 0.000 0.271 437 L C 0.268 177.157 176.870 0.032 0.000 1.008 437 L CA -1.367 53.498 54.840 0.041 0.000 0.818 437 L CB 1.912 43.977 42.059 0.009 0.000 1.296 437 L HN 0.606 nan 8.230 nan 0.000 0.427 438 A N 1.116 123.943 122.820 0.012 0.000 2.322 438 A HA 0.732 5.052 4.320 -0.000 0.000 0.269 438 A C 0.458 178.015 177.584 -0.046 0.000 1.094 438 A CA 0.281 52.315 52.037 -0.006 0.000 0.807 438 A CB 0.597 19.592 19.000 -0.008 0.000 1.047 438 A HN 1.073 nan 8.150 nan 0.000 0.487 439 G N -0.789 107.969 108.800 -0.070 0.000 3.383 439 G HA2 0.528 4.488 3.960 -0.000 0.000 0.685 439 G HA3 0.528 4.488 3.960 -0.000 0.000 0.685 439 G C -0.292 174.464 174.900 -0.240 0.000 1.104 439 G CA 0.090 45.101 45.100 -0.148 0.000 0.957 439 G HN 2.372 nan 8.290 nan 0.000 0.461 440 A N 1.454 124.113 122.820 -0.268 0.000 5.168 440 A HA 0.996 5.316 4.320 -0.000 0.000 0.202 440 A C 1.916 179.369 177.584 -0.219 0.000 0.857 440 A CA 0.902 52.744 52.037 -0.324 0.000 0.757 440 A CB -0.517 18.526 19.000 0.072 0.000 1.957 440 A HN 2.222 nan 8.150 nan 0.000 0.959 441 G N 0.402 109.303 108.800 0.169 0.000 2.469 441 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 441 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 441 G C 0.918 175.840 174.900 0.035 0.000 1.136 441 G CA 1.602 46.803 45.100 0.167 0.000 0.759 441 G HN 0.546 nan 8.290 nan 0.000 0.562 442 N N -0.087 118.617 118.700 0.006 0.000 2.270 442 N HA -0.014 4.726 4.740 -0.000 0.000 0.181 442 N C 2.068 177.555 175.510 -0.039 0.000 1.016 442 N CA 0.809 53.852 53.050 -0.011 0.000 0.870 442 N CB -0.287 38.196 38.487 -0.006 0.000 0.979 442 N HN 0.362 nan 8.380 nan 0.000 0.431 443 M N 0.462 120.017 119.600 -0.076 0.000 2.200 443 M HA -0.061 4.419 4.480 -0.000 0.000 0.265 443 M C 1.601 177.845 176.300 -0.094 0.000 1.066 443 M CA 0.902 56.145 55.300 -0.095 0.000 1.127 443 M CB 0.172 32.691 32.600 -0.135 0.000 1.379 443 M HN -0.154 nan 8.290 nan 0.000 0.420 444 V N -0.139 119.710 119.914 -0.109 0.000 2.295 444 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 444 V C 2.342 178.415 176.094 -0.035 0.000 1.049 444 V CA 2.158 64.414 62.300 -0.073 0.000 1.024 444 V CB -0.853 30.954 31.823 -0.027 0.000 0.648 444 V HN 0.501 nan 8.190 nan 0.000 0.447 445 S N -0.025 115.660 115.700 -0.024 0.000 2.359 445 S HA -0.209 4.261 4.470 -0.000 0.000 0.224 445 S C 1.890 176.478 174.600 -0.020 0.000 1.035 445 S CA 1.925 60.114 58.200 -0.018 0.000 1.018 445 S CB -0.472 62.720 63.200 -0.014 0.000 0.876 445 S HN 0.458 nan 8.310 nan 0.000 0.448 446 L N 1.718 122.924 121.223 -0.029 0.000 2.083 446 L HA 0.022 4.362 4.340 -0.000 0.000 0.209 446 L C 1.877 178.729 176.870 -0.029 0.000 1.083 446 L CA 1.557 56.378 54.840 -0.031 0.000 0.752 446 L CB -0.578 41.457 42.059 -0.041 0.000 0.899 446 L HN 0.291 nan 8.230 nan 0.000 0.433 447 L N -1.179 120.025 121.223 -0.032 0.000 2.141 447 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 447 L C 2.432 179.301 176.870 -0.001 0.000 1.094 447 L CA 1.179 56.006 54.840 -0.022 0.000 0.763 447 L CB -0.347 41.694 42.059 -0.030 0.000 0.908 447 L HN 0.295 nan 8.230 nan 0.000 0.437 448 I N -0.309 120.259 120.570 -0.003 0.000 2.333 448 I HA -0.260 3.910 4.170 -0.000 0.000 0.246 448 I C 2.661 178.786 176.117 0.013 0.000 1.106 448 I CA 1.032 62.337 61.300 0.009 0.000 1.411 448 I CB -0.204 37.799 38.000 0.005 0.000 1.082 448 I HN 0.205 nan 8.210 nan 0.000 0.420 449 K N 0.606 121.009 120.400 0.004 0.000 2.097 449 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 449 K C 1.972 178.577 176.600 0.008 0.000 1.049 449 K CA 1.802 58.093 56.287 0.006 0.000 0.933 449 K CB -0.029 32.470 32.500 -0.002 0.000 0.717 449 K HN 0.219 nan 8.250 nan 0.000 0.442 450 T N 0.834 115.390 114.554 0.003 0.000 2.668 450 T HA -0.147 4.203 4.350 -0.000 0.000 0.262 450 T C 1.667 176.385 174.700 0.031 0.000 1.045 450 T CA 1.548 63.651 62.100 0.005 0.000 1.152 450 T CB -0.201 68.661 68.868 -0.010 0.000 0.864 450 T HN 0.421 nan 8.240 nan 0.000 0.419 451 E N 0.051 120.280 120.200 0.048 0.000 2.204 451 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 451 E C 1.610 178.244 176.600 0.056 0.000 0.990 451 E CA 0.632 57.080 56.400 0.079 0.000 0.821 451 E CB 0.010 29.772 29.700 0.103 0.000 0.750 451 E HN 0.178 nan 8.360 nan 0.000 0.477 452 L N -0.635 120.612 121.223 0.040 0.000 2.477 452 L HA 0.237 4.577 4.340 -0.000 0.000 0.220 452 L C 1.415 178.304 176.870 0.031 0.000 1.106 452 L CA 1.282 56.142 54.840 0.034 0.000 0.851 452 L CB 0.155 42.234 42.059 0.034 0.000 0.994 452 L HN 0.287 nan 8.230 nan 0.000 0.462 453 G N 0.006 108.824 108.800 0.029 0.000 2.182 453 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.248 453 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.248 453 G C 0.296 175.210 174.900 0.024 0.000 1.042 453 G CA 0.177 45.292 45.100 0.026 0.000 0.775 453 G HN 0.251 nan 8.290 nan 0.000 0.501 454 L N -0.653 120.585 121.223 0.025 0.000 2.464 454 L HA 0.322 4.662 4.340 -0.000 0.000 0.264 454 L C 1.706 178.590 176.870 0.022 0.000 1.199 454 L CA -0.292 54.565 54.840 0.028 0.000 0.818 454 L CB 0.502 42.580 42.059 0.031 0.000 1.102 454 L HN 0.221 nan 8.230 nan 0.000 0.473 455 E N 0.071 120.286 120.200 0.026 0.000 2.190 455 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 455 E C -0.492 176.120 176.600 0.020 0.000 0.978 455 E CA 0.621 57.034 56.400 0.021 0.000 0.839 455 E CB 0.441 30.155 29.700 0.023 0.000 0.787 455 E HN 0.631 nan 8.360 nan 0.000 0.473 456 D N -0.681 119.735 120.400 0.025 0.000 2.342 456 D HA 0.200 4.839 4.640 -0.000 0.000 0.243 456 D C 0.596 176.908 176.300 0.020 0.000 1.019 456 D CA -0.359 53.656 54.000 0.024 0.000 0.864 456 D CB 1.993 42.812 40.800 0.033 0.000 1.315 456 D HN -0.135 nan 8.370 nan 0.000 0.468 457 L N 0.963 122.195 121.223 0.015 0.000 2.093 457 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 457 L C 2.116 178.994 176.870 0.012 0.000 1.085 457 L CA 0.972 55.817 54.840 0.009 0.000 0.755 457 L CB -0.218 41.844 42.059 0.005 0.000 0.904 457 L HN 0.465 nan 8.230 nan 0.000 0.435 458 S N -0.131 115.583 115.700 0.022 0.000 2.400 458 S HA -0.238 4.232 4.470 -0.000 0.000 0.232 458 S C 1.859 176.476 174.600 0.028 0.000 1.025 458 S CA 1.158 59.376 58.200 0.030 0.000 0.993 458 S CB -0.652 62.574 63.200 0.044 0.000 0.808 458 S HN 0.313 nan 8.310 nan 0.000 0.478 459 L N 2.050 123.296 121.223 0.038 0.000 2.072 459 L HA 0.250 4.590 4.340 -0.000 0.000 0.205 459 L C 2.669 179.534 176.870 -0.007 0.000 1.079 459 L CA 1.522 56.390 54.840 0.047 0.000 0.752 459 L CB -1.295 40.811 42.059 0.078 0.000 0.906 459 L HN 0.326 nan 8.230 nan 0.000 0.436 460 A N -0.704 122.116 122.820 0.000 0.000 1.902 460 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 460 A C 2.255 179.816 177.584 -0.038 0.000 1.181 460 A CA 1.775 53.806 52.037 -0.011 0.000 0.623 460 A CB -0.717 18.281 19.000 -0.003 0.000 0.818 460 A HN 0.533 nan 8.150 nan 0.000 0.443 461 E N 0.168 120.346 120.200 -0.036 0.000 2.051 461 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 461 E C 2.048 178.582 176.600 -0.110 0.000 0.991 461 E CA 1.678 58.047 56.400 -0.052 0.000 0.799 461 E CB -0.458 29.228 29.700 -0.023 0.000 0.748 461 E HN 0.478 nan 8.360 nan 0.000 0.449 462 A N 0.602 123.344 122.820 -0.130 0.000 1.877 462 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 462 A C 2.370 179.755 177.584 -0.332 0.000 1.186 462 A CA 1.625 53.519 52.037 -0.238 0.000 0.620 462 A CB -0.792 17.931 19.000 -0.462 0.000 0.822 462 A HN 0.376 nan 8.150 nan 0.000 0.443 463 I N -0.415 119.991 120.570 -0.274 0.000 2.335 463 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 463 I C 2.547 178.649 176.117 -0.024 0.000 1.129 463 I CA 1.854 63.087 61.300 -0.111 0.000 1.402 463 I CB -0.261 37.728 38.000 -0.020 0.000 1.069 463 I HN 0.447 nan 8.210 nan 0.000 0.424 464 K N 2.212 122.576 120.400 -0.061 0.000 2.057 464 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 464 K C 1.911 178.495 176.600 -0.027 0.000 1.049 464 K CA 1.691 57.954 56.287 -0.039 0.000 0.931 464 K CB 0.026 32.495 32.500 -0.052 0.000 0.714 464 K HN 0.375 nan 8.250 nan 0.000 0.440 465 K N -1.308 119.003 120.400 -0.148 0.000 2.358 465 K HA 0.063 4.383 4.320 -0.000 0.000 0.197 465 K C -0.641 175.850 176.600 -0.180 0.000 1.025 465 K CA -0.238 55.942 56.287 -0.178 0.000 1.104 465 K CB 0.296 32.505 32.500 -0.484 0.000 0.855 465 K HN 0.047 nan 8.250 nan 0.000 0.531 466 Y N 2.138 122.547 120.300 0.182 0.000 2.425 466 Y HA 0.363 4.913 4.550 -0.000 0.000 0.344 466 Y C -2.406 173.486 175.900 -0.013 0.000 0.969 466 Y CA -3.023 55.071 58.100 -0.009 0.000 1.052 466 Y CB 1.701 40.184 38.460 0.039 0.000 1.215 466 Y HN -0.057 nan 8.280 nan 0.000 0.451 467 P HA 0.068 nan 4.420 nan 0.000 0.269 467 P C -0.684 176.710 177.300 0.157 0.000 1.217 467 P CA 0.188 63.274 63.100 -0.024 0.000 0.783 467 P CB 1.421 33.010 31.700 -0.186 0.000 0.898 468 L N 0.797 122.122 121.223 0.169 0.000 2.397 468 L HA 0.841 5.181 4.340 -0.000 0.000 0.266 468 L C 0.450 177.396 176.870 0.126 0.000 1.040 468 L CA -0.946 53.989 54.840 0.158 0.000 0.800 468 L CB 1.123 43.267 42.059 0.142 0.000 1.324 468 L HN 0.496 nan 8.230 nan 0.000 0.469 469 A N 0.939 123.794 122.820 0.059 0.000 2.583 469 A HA 0.540 4.860 4.320 -0.000 0.000 0.298 469 A C -1.621 175.930 177.584 -0.055 0.000 1.055 469 A CA -0.661 51.364 52.037 -0.019 0.000 0.714 469 A CB 1.532 20.463 19.000 -0.114 0.000 1.277 469 A HN 0.466 nan 8.150 nan 0.000 0.406 470 K N 1.718 122.077 120.400 -0.068 0.000 2.263 470 K HA 0.551 4.871 4.320 -0.000 0.000 0.272 470 K C -0.846 175.682 176.600 -0.121 0.000 1.033 470 K CA -0.327 55.912 56.287 -0.080 0.000 0.884 470 K CB 1.022 33.489 32.500 -0.055 0.000 1.107 470 K HN 0.575 nan 8.250 nan 0.000 0.460 471 V N 6.366 126.185 119.914 -0.159 0.000 2.390 471 V HA 0.014 4.134 4.120 -0.000 0.000 0.260 471 V C 0.876 176.827 176.094 -0.238 0.000 1.043 471 V CA 0.284 62.463 62.300 -0.202 0.000 1.047 471 V CB 0.087 31.767 31.823 -0.238 0.000 1.066 471 V HN 0.875 nan 8.190 nan 0.000 0.481 472 E N 2.821 122.922 120.200 -0.165 0.000 2.250 472 E HA 0.044 4.394 4.350 -0.000 0.000 0.192 472 E C 0.883 177.382 176.600 -0.168 0.000 0.986 472 E CA 0.803 57.111 56.400 -0.152 0.000 0.849 472 E CB 0.460 30.125 29.700 -0.059 0.000 0.797 472 E HN 0.791 nan 8.360 nan 0.000 0.482 473 S N -1.042 114.585 115.700 -0.122 0.000 2.752 473 S HA 0.286 4.756 4.470 -0.000 0.000 0.284 473 S C 0.337 174.913 174.600 -0.039 0.000 1.189 473 S CA -0.816 57.365 58.200 -0.031 0.000 0.835 473 S CB 0.531 63.805 63.200 0.124 0.000 1.192 473 S HN 0.043 nan 8.310 nan 0.000 0.506 474 L N -0.255 120.967 121.223 -0.002 0.000 2.551 474 L HA 0.220 4.560 4.340 -0.000 0.000 0.228 474 L C 0.676 177.221 176.870 -0.540 0.000 1.153 474 L CA 1.028 55.718 54.840 -0.250 0.000 0.851 474 L CB -0.607 41.230 42.059 -0.370 0.000 0.959 474 L HN 0.645 nan 8.230 nan 0.000 0.451 475 F N -2.392 117.568 119.950 0.017 0.000 2.784 475 F HA 0.209 4.736 4.527 -0.000 0.000 0.323 475 F C 1.039 176.824 175.800 -0.026 0.000 1.085 475 F CA -0.199 57.756 58.000 -0.075 0.000 1.196 475 F CB 0.752 39.746 39.000 -0.010 0.000 1.053 475 F HN -0.197 nan 8.300 nan 0.000 0.578 476 S N 0.619 116.443 115.700 0.206 0.000 2.599 476 S HA 0.808 5.278 4.470 -0.000 0.000 0.287 476 S C -1.094 173.548 174.600 0.070 0.000 1.105 476 S CA -0.603 57.733 58.200 0.226 0.000 0.899 476 S CB 1.480 64.850 63.200 0.283 0.000 1.100 476 S HN 0.177 nan 8.310 nan 0.000 0.482 477 I N 0.517 121.129 120.570 0.070 0.000 2.607 477 I HA 0.608 4.778 4.170 -0.000 0.000 0.290 477 I C -0.745 175.305 176.117 -0.113 0.000 1.129 477 I CA -0.884 60.369 61.300 -0.079 0.000 1.042 477 I CB 1.916 39.807 38.000 -0.180 0.000 1.242 477 I HN 0.566 nan 8.210 nan 0.000 0.421 478 R N 5.573 126.017 120.500 -0.093 0.000 2.210 478 R HA 0.335 4.675 4.340 -0.000 0.000 0.338 478 R C -0.296 175.967 176.300 -0.061 0.000 1.062 478 R CA -0.455 55.619 56.100 -0.043 0.000 0.902 478 R CB 0.360 30.657 30.300 -0.005 0.000 1.050 478 R HN 0.687 nan 8.270 nan 0.000 0.461 479 H N 2.389 121.496 119.070 0.061 0.000 2.822 479 H HA -0.076 4.480 4.556 -0.000 0.000 0.373 479 H C 0.965 176.322 175.328 0.050 0.000 1.223 479 H CA 0.754 56.836 56.048 0.056 0.000 1.436 479 H CB 1.049 30.845 29.762 0.057 0.000 1.439 479 H HN 0.707 nan 8.280 nan 0.000 0.618 480 E N 0.849 121.168 120.200 0.199 0.000 2.338 480 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 480 E C 0.776 177.447 176.600 0.118 0.000 1.007 480 E CA 1.202 57.682 56.400 0.134 0.000 0.849 480 E CB -0.062 29.719 29.700 0.136 0.000 0.774 480 E HN 0.584 nan 8.360 nan 0.000 0.506 481 N N 0.529 119.306 118.700 0.128 0.000 2.457 481 N HA 0.014 4.754 4.740 -0.000 0.000 0.180 481 N C 1.445 177.005 175.510 0.083 0.000 1.050 481 N CA 1.149 54.254 53.050 0.091 0.000 0.906 481 N CB 0.332 38.859 38.487 0.066 0.000 0.968 481 N HN 0.364 nan 8.380 nan 0.000 0.445 482 G N -1.506 107.354 108.800 0.100 0.000 2.238 482 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 482 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 482 G C 0.162 175.114 174.900 0.086 0.000 0.996 482 G CA -0.027 45.119 45.100 0.078 0.000 0.632 482 G HN 0.754 nan 8.290 nan 0.000 0.503 483 A N 0.289 123.177 122.820 0.113 0.000 2.388 483 A HA 0.713 5.033 4.320 -0.000 0.000 0.257 483 A C 0.330 178.016 177.584 0.171 0.000 1.095 483 A CA 0.231 52.341 52.037 0.122 0.000 0.791 483 A CB 1.139 20.203 19.000 0.107 0.000 1.029 483 A HN 1.103 nan 8.150 nan 0.000 0.489 484 V N 2.380 122.374 119.914 0.134 0.000 2.427 484 V HA 0.355 4.475 4.120 -0.000 0.000 0.286 484 V C 0.255 176.450 176.094 0.169 0.000 1.034 484 V CA -0.436 61.944 62.300 0.132 0.000 0.893 484 V CB 1.371 33.255 31.823 0.101 0.000 0.982 484 V HN 0.995 nan 8.190 nan 0.000 0.452 485 E N 3.568 123.880 120.200 0.186 0.000 2.171 485 E HA 0.443 4.793 4.350 -0.000 0.000 0.271 485 E C -1.627 175.071 176.600 0.163 0.000 0.916 485 E CA -0.641 55.852 56.400 0.155 0.000 0.774 485 E CB 1.447 31.278 29.700 0.218 0.000 1.128 485 E HN 0.512 nan 8.360 nan 0.000 0.403 486 F N 4.563 124.466 119.950 -0.078 0.000 2.399 486 F HA 0.491 5.018 4.527 -0.000 0.000 0.334 486 F C -1.449 174.236 175.800 -0.191 0.000 1.097 486 F CA -0.643 57.361 58.000 0.008 0.000 1.076 486 F CB 0.613 39.615 39.000 0.003 0.000 1.162 486 F HN 0.379 nan 8.300 nan 0.000 0.495 487 F N 5.206 124.674 119.950 -0.804 0.000 2.467 487 F HA 0.471 4.998 4.527 -0.000 0.000 0.336 487 F C 1.107 176.537 175.800 -0.617 0.000 1.123 487 F CA -0.780 56.924 58.000 -0.492 0.000 0.964 487 F CB 1.731 40.581 39.000 -0.251 0.000 1.136 487 F HN 0.454 nan 8.300 nan 0.000 0.447 488 R N 1.121 121.547 120.500 -0.124 0.000 2.328 488 R HA -0.011 4.329 4.340 -0.000 0.000 0.207 488 R C -0.440 175.932 176.300 0.120 0.000 1.056 488 R CA 0.775 56.890 56.100 0.025 0.000 1.016 488 R CB -0.125 30.224 30.300 0.081 0.000 0.872 488 R HN 0.666 nan 8.270 nan 0.000 0.471 489 E N 0.021 120.311 120.200 0.151 0.000 2.272 489 E HA 0.406 4.756 4.350 -0.000 0.000 0.269 489 E C -1.197 175.450 176.600 0.078 0.000 0.877 489 E CA -0.716 55.778 56.400 0.158 0.000 0.755 489 E CB 2.077 31.826 29.700 0.082 0.000 1.192 489 E HN 0.046 nan 8.360 nan 0.000 0.422 490 A N 3.454 126.260 122.820 -0.024 0.000 2.565 490 A HA 0.113 4.433 4.320 -0.000 0.000 0.237 490 A C 0.278 177.682 177.584 -0.300 0.000 1.053 490 A CA 0.131 51.902 52.037 -0.443 0.000 0.755 490 A CB -0.013 18.740 19.000 -0.411 0.000 0.980 490 A HN 0.559 nan 8.150 nan 0.000 0.506 491 L N 1.607 122.613 121.223 -0.362 0.000 2.475 491 L HA 0.256 4.596 4.340 -0.000 0.000 0.253 491 L C 1.288 178.040 176.870 -0.198 0.000 1.198 491 L CA -0.279 54.392 54.840 -0.282 0.000 0.814 491 L CB 0.629 42.506 42.059 -0.303 0.000 1.134 491 L HN 0.784 nan 8.230 nan 0.000 0.478 492 S N 0.031 115.631 115.700 -0.166 0.000 2.565 492 S HA 0.202 4.672 4.470 -0.000 0.000 0.276 492 S C -1.655 172.900 174.600 -0.076 0.000 1.326 492 S CA -1.228 56.901 58.200 -0.117 0.000 1.045 492 S CB 1.151 64.283 63.200 -0.113 0.000 0.918 492 S HN 0.324 nan 8.310 nan 0.000 0.505 493 P HA 0.001 nan 4.420 nan 0.000 0.218 493 P C 1.037 178.338 177.300 0.002 0.000 1.148 493 P CA 1.165 64.240 63.100 -0.042 0.000 0.822 493 P CB 0.002 31.649 31.700 -0.087 0.000 0.784 494 A N -0.530 122.273 122.820 -0.030 0.000 2.172 494 A HA -0.074 4.245 4.320 -0.000 0.000 0.216 494 A C 1.836 179.404 177.584 -0.027 0.000 1.154 494 A CA 1.688 53.708 52.037 -0.028 0.000 0.701 494 A CB -1.193 17.777 19.000 -0.050 0.000 0.789 494 A HN 0.251 nan 8.150 nan 0.000 0.465 495 V N -5.123 114.772 119.914 -0.032 0.000 3.528 495 V HA 0.381 4.501 4.120 -0.000 0.000 0.294 495 V C 0.621 176.690 176.094 -0.042 0.000 1.404 495 V CA -0.649 61.611 62.300 -0.067 0.000 1.065 495 V CB -1.261 30.480 31.823 -0.138 0.000 0.904 495 V HN 0.269 nan 8.190 nan 0.000 0.435 496 F N 2.970 122.853 119.950 -0.112 0.000 2.590 496 F HA 0.455 4.982 4.527 -0.000 0.000 0.389 496 F C 1.357 177.114 175.800 -0.071 0.000 1.049 496 F CA 0.790 58.731 58.000 -0.098 0.000 1.199 496 F CB 0.329 39.275 39.000 -0.090 0.000 1.058 496 F HN 0.492 nan 8.300 nan 0.000 0.556 497 A N 3.087 125.477 122.820 -0.715 0.000 2.945 497 A HA -0.302 4.018 4.320 -0.000 0.000 0.263 497 A C 0.580 178.047 177.584 -0.194 0.000 1.293 497 A CA 1.468 53.221 52.037 -0.473 0.000 0.944 497 A CB -2.337 16.425 19.000 -0.396 0.000 1.093 497 A HN 0.715 nan 8.150 nan 0.000 0.786 498 K N -0.444 119.868 120.400 -0.147 0.000 2.118 498 K HA 0.614 4.934 4.320 -0.000 0.000 0.254 498 K C 0.105 176.655 176.600 -0.083 0.000 0.961 498 K CA -0.630 55.608 56.287 -0.082 0.000 0.876 498 K CB 1.931 34.398 32.500 -0.054 0.000 1.077 498 K HN 0.141 nan 8.250 nan 0.000 0.440 499 V N 2.381 122.268 119.914 -0.045 0.000 2.686 499 V HA 0.192 4.312 4.120 -0.000 0.000 0.295 499 V C 0.014 176.092 176.094 -0.026 0.000 1.055 499 V CA -0.329 61.956 62.300 -0.025 0.000 1.050 499 V CB 1.324 33.155 31.823 0.014 0.000 0.984 499 V HN 0.429 nan 8.190 nan 0.000 0.482 500 V N 3.895 123.792 119.914 -0.029 0.000 3.078 500 V HA 0.549 4.669 4.120 -0.000 0.000 0.311 500 V C -1.205 174.908 176.094 0.031 0.000 1.138 500 V CA -0.816 61.443 62.300 -0.068 0.000 1.007 500 V CB 2.300 34.030 31.823 -0.155 0.000 1.045 500 V HN 0.839 nan 8.190 nan 0.000 0.432 501 Y N 2.372 122.674 120.300 0.003 0.000 2.429 501 Y HA 0.820 5.370 4.550 -0.000 0.000 0.342 501 Y C -0.820 175.066 175.900 -0.024 0.000 1.004 501 Y CA -1.774 56.349 58.100 0.037 0.000 1.075 501 Y CB 1.082 39.606 38.460 0.106 0.000 1.214 501 Y HN 0.309 nan 8.280 nan 0.000 0.455 502 I N 4.191 124.876 120.570 0.191 0.000 2.312 502 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 502 I C -0.369 175.702 176.117 -0.077 0.000 1.008 502 I CA -0.920 60.395 61.300 0.025 0.000 1.226 502 I CB 1.086 39.117 38.000 0.053 0.000 1.371 502 I HN 0.771 nan 8.210 nan 0.000 0.468 503 K N 7.154 127.400 120.400 -0.257 0.000 2.540 503 K HA 0.342 4.662 4.320 -0.000 0.000 0.218 503 K C -0.638 175.806 176.600 -0.259 0.000 1.017 503 K CA -0.153 55.787 56.287 -0.578 0.000 1.029 503 K CB 0.362 32.405 32.500 -0.762 0.000 1.348 503 K HN 0.603 nan 8.250 nan 0.000 0.508 504 E N 2.081 122.199 120.200 -0.137 0.000 2.271 504 E HA -0.193 4.157 4.350 -0.000 0.000 0.215 504 E C 0.508 177.084 176.600 -0.041 0.000 1.256 504 E CA 0.349 56.716 56.400 -0.055 0.000 0.678 504 E CB -1.619 28.052 29.700 -0.047 0.000 1.187 504 E HN 1.126 nan 8.360 nan 0.000 0.392 505 G N 0.823 109.613 108.800 -0.017 0.000 2.284 505 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.268 505 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.268 505 G C 0.195 175.080 174.900 -0.026 0.000 0.980 505 G CA 1.091 46.200 45.100 0.015 0.000 0.631 505 G HN 0.567 nan 8.290 nan 0.000 0.548 506 E N 0.446 120.598 120.200 -0.080 0.000 2.167 506 E HA 0.493 4.843 4.350 -0.000 0.000 0.284 506 E C -0.162 176.325 176.600 -0.189 0.000 1.016 506 E CA -1.041 55.283 56.400 -0.127 0.000 0.817 506 E CB 0.278 29.903 29.700 -0.125 0.000 1.080 506 E HN 0.078 nan 8.360 nan 0.000 0.397 507 L N 4.965 126.058 121.223 -0.217 0.000 2.313 507 L HA 0.198 4.538 4.340 -0.000 0.000 0.282 507 L C -0.494 176.175 176.870 -0.335 0.000 1.092 507 L CA -0.158 54.521 54.840 -0.268 0.000 0.831 507 L CB 1.143 43.035 42.059 -0.278 0.000 1.159 507 L HN 0.343 nan 8.230 nan 0.000 0.442 508 V N 5.502 125.103 119.914 -0.522 0.000 2.448 508 V HA 0.477 4.597 4.120 -0.000 0.000 0.295 508 V C -2.103 173.690 176.094 -0.502 0.000 1.025 508 V CA -1.672 60.251 62.300 -0.628 0.000 0.859 508 V CB 1.792 32.924 31.823 -1.153 0.000 0.988 508 V HN 0.625 nan 8.190 nan 0.000 0.431 509 P HA 0.314 nan 4.420 nan 0.000 0.276 509 P C -0.788 176.478 177.300 -0.057 0.000 1.230 509 P CA 0.017 63.034 63.100 -0.138 0.000 0.776 509 P CB 1.188 32.832 31.700 -0.094 0.000 0.888 510 I N 2.981 123.551 120.570 -0.000 0.000 2.359 510 I HA 0.161 4.331 4.170 -0.000 0.000 0.284 510 I C -0.082 176.060 176.117 0.041 0.000 1.018 510 I CA -0.516 60.824 61.300 0.067 0.000 1.173 510 I CB 0.771 38.839 38.000 0.114 0.000 1.326 510 I HN 0.077 nan 8.210 nan 0.000 0.462 511 D N 5.631 126.056 120.400 0.041 0.000 2.498 511 D HA 0.170 4.810 4.640 -0.000 0.000 0.229 511 D C -0.372 175.949 176.300 0.034 0.000 1.188 511 D CA 0.551 54.569 54.000 0.030 0.000 1.028 511 D CB -0.074 40.742 40.800 0.027 0.000 1.087 511 D HN 0.425 nan 8.370 nan 0.000 0.510 512 N N -0.555 118.164 118.700 0.032 0.000 2.555 512 N HA 0.384 5.124 4.740 -0.000 0.000 0.265 512 N C 0.104 175.628 175.510 0.024 0.000 1.135 512 N CA -0.606 52.462 53.050 0.031 0.000 0.925 512 N CB 1.192 39.703 38.487 0.039 0.000 1.662 512 N HN -0.004 nan 8.380 nan 0.000 0.489 513 A N 1.028 123.860 122.820 0.020 0.000 2.066 513 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 513 A C 0.551 178.142 177.584 0.012 0.000 1.157 513 A CA 0.957 53.003 52.037 0.014 0.000 0.670 513 A CB -0.766 18.243 19.000 0.013 0.000 0.804 513 A HN 0.727 nan 8.150 nan 0.000 0.453 514 S N 1.462 117.171 115.700 0.015 0.000 2.537 514 S HA 0.348 4.818 4.470 -0.000 0.000 0.286 514 S C -2.089 172.520 174.600 0.014 0.000 1.299 514 S CA -1.088 57.119 58.200 0.013 0.000 1.067 514 S CB 0.208 63.419 63.200 0.017 0.000 0.864 514 S HN 0.378 nan 8.310 nan 0.000 0.494 515 P HA 0.073 nan 4.420 nan 0.000 0.274 515 P C 1.031 178.342 177.300 0.019 0.000 1.260 515 P CA -0.714 62.391 63.100 0.008 0.000 0.793 515 P CB 0.662 32.363 31.700 0.002 0.000 1.048 516 L N 0.293 121.528 121.223 0.020 0.000 2.131 516 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 516 L C 2.119 179.014 176.870 0.042 0.000 1.092 516 L CA 1.839 56.701 54.840 0.036 0.000 0.759 516 L CB -0.485 41.594 42.059 0.034 0.000 0.903 516 L HN 0.222 nan 8.230 nan 0.000 0.435 517 E N -0.023 120.195 120.200 0.030 0.000 2.106 517 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 517 E C 1.987 178.603 176.600 0.026 0.000 0.984 517 E CA 1.206 57.624 56.400 0.029 0.000 0.806 517 E CB -0.165 29.546 29.700 0.019 0.000 0.750 517 E HN 0.274 nan 8.360 nan 0.000 0.458 518 K N 0.952 121.363 120.400 0.019 0.000 2.025 518 K HA 0.002 4.322 4.320 -0.000 0.000 0.207 518 K C 1.802 178.417 176.600 0.025 0.000 1.049 518 K CA 1.077 57.371 56.287 0.012 0.000 0.933 518 K CB -0.327 32.175 32.500 0.003 0.000 0.714 518 K HN 0.116 nan 8.250 nan 0.000 0.438 519 I N 0.410 121.002 120.570 0.037 0.000 2.286 519 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 519 I C 2.659 178.812 176.117 0.060 0.000 1.115 519 I CA 1.265 62.595 61.300 0.051 0.000 1.392 519 I CB -0.296 37.744 38.000 0.065 0.000 1.065 519 I HN 0.245 nan 8.210 nan 0.000 0.418 520 R N 1.075 121.614 120.500 0.065 0.000 2.066 520 R HA -0.201 4.139 4.340 -0.000 0.000 0.232 520 R C 2.406 178.738 176.300 0.052 0.000 1.131 520 R CA 1.431 57.576 56.100 0.076 0.000 0.955 520 R CB -0.278 30.072 30.300 0.083 0.000 0.851 520 R HN 0.191 nan 8.270 nan 0.000 0.432 521 L N 0.768 122.014 121.223 0.039 0.000 1.989 521 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 521 L C 2.191 179.077 176.870 0.027 0.000 1.071 521 L CA 1.602 56.458 54.840 0.028 0.000 0.749 521 L CB -0.553 41.516 42.059 0.017 0.000 0.890 521 L HN 0.035 nan 8.230 nan 0.000 0.431 522 V N 0.040 119.971 119.914 0.029 0.000 2.407 522 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 522 V C 2.806 178.916 176.094 0.027 0.000 1.055 522 V CA 2.090 64.409 62.300 0.032 0.000 1.049 522 V CB -0.740 31.103 31.823 0.034 0.000 0.662 522 V HN 0.541 nan 8.190 nan 0.000 0.455 523 R N 0.103 120.620 120.500 0.028 0.000 2.073 523 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 523 R C 2.558 178.855 176.300 -0.004 0.000 1.134 523 R CA 1.697 57.807 56.100 0.017 0.000 0.952 523 R CB -0.177 30.144 30.300 0.036 0.000 0.850 523 R HN 0.458 nan 8.270 nan 0.000 0.433 524 R N 0.144 120.643 120.500 -0.002 0.000 2.075 524 R HA -0.123 4.216 4.340 -0.000 0.000 0.232 524 R C 2.504 178.804 176.300 0.000 0.000 1.126 524 R CA 1.729 57.818 56.100 -0.017 0.000 0.963 524 R CB -0.353 29.942 30.300 -0.007 0.000 0.858 524 R HN 0.427 nan 8.270 nan 0.000 0.435 525 Q N 0.519 120.327 119.800 0.014 0.000 2.096 525 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 525 Q C 2.286 178.295 176.000 0.015 0.000 0.982 525 Q CA 1.669 57.485 55.803 0.022 0.000 0.850 525 Q CB -0.219 28.541 28.738 0.035 0.000 0.901 525 Q HN 0.387 nan 8.270 nan 0.000 0.422 526 A N 1.356 124.182 122.820 0.010 0.000 1.940 526 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 526 A C 1.893 179.469 177.584 -0.013 0.000 1.176 526 A CA 1.634 53.667 52.037 -0.006 0.000 0.631 526 A CB -0.289 18.708 19.000 -0.006 0.000 0.814 526 A HN 0.200 nan 8.150 nan 0.000 0.446 527 K N -0.408 120.000 120.400 0.014 0.000 2.031 527 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 527 K C 2.016 178.666 176.600 0.084 0.000 1.049 527 K CA 1.503 57.835 56.287 0.075 0.000 0.939 527 K CB -0.178 32.353 32.500 0.052 0.000 0.717 527 K HN 0.625 nan 8.250 nan 0.000 0.438 528 E N 1.134 121.359 120.200 0.042 0.000 2.031 528 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 528 E C 1.909 178.522 176.600 0.022 0.000 0.994 528 E CA 1.219 57.644 56.400 0.041 0.000 0.800 528 E CB -0.009 29.709 29.700 0.029 0.000 0.752 528 E HN 0.194 nan 8.360 nan 0.000 0.447 529 K N 0.394 120.794 120.400 -0.001 0.000 2.160 529 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 529 K C 2.034 178.592 176.600 -0.069 0.000 1.047 529 K CA 1.204 57.477 56.287 -0.024 0.000 0.930 529 K CB 0.060 32.545 32.500 -0.025 0.000 0.720 529 K HN 0.017 nan 8.250 nan 0.000 0.450 530 V N -0.548 119.292 119.914 -0.124 0.000 2.521 530 V HA -0.064 4.056 4.120 -0.000 0.000 0.239 530 V C 1.703 177.617 176.094 -0.302 0.000 1.053 530 V CA 1.196 63.331 62.300 -0.274 0.000 1.073 530 V CB -0.330 31.207 31.823 -0.475 0.000 0.746 530 V HN 0.136 nan 8.190 nan 0.000 0.476 531 F N -0.382 119.548 119.950 -0.034 0.000 2.270 531 F HA 0.002 4.529 4.527 -0.000 0.000 0.295 531 F C 2.261 178.039 175.800 -0.036 0.000 1.087 531 F CA 0.819 58.797 58.000 -0.037 0.000 1.365 531 F CB -0.181 38.792 39.000 -0.045 0.000 1.056 531 F HN -0.108 nan 8.300 nan 0.000 0.506 532 V N -0.417 119.580 119.914 0.138 0.000 2.358 532 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 532 V C 2.225 178.342 176.094 0.040 0.000 1.047 532 V CA 2.335 64.679 62.300 0.073 0.000 1.035 532 V CB -0.852 31.003 31.823 0.055 0.000 0.658 532 V HN 0.356 nan 8.190 nan 0.000 0.452 533 T N 0.337 114.903 114.554 0.020 0.000 2.708 533 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 533 T C 1.839 176.531 174.700 -0.012 0.000 1.037 533 T CA 1.696 63.794 62.100 -0.004 0.000 1.146 533 T CB -0.352 68.500 68.868 -0.026 0.000 0.865 533 T HN 0.379 nan 8.240 nan 0.000 0.435 534 N N 0.404 119.099 118.700 -0.009 0.000 2.270 534 N HA -0.018 4.722 4.740 -0.000 0.000 0.181 534 N C 1.997 177.513 175.510 0.009 0.000 1.016 534 N CA 0.542 53.590 53.050 -0.003 0.000 0.870 534 N CB -0.615 37.871 38.487 -0.002 0.000 0.979 534 N HN 0.402 nan 8.380 nan 0.000 0.431 535 C N 0.615 119.932 119.300 0.027 0.000 2.432 535 C HA 0.024 4.484 4.460 -0.000 0.000 0.277 535 C C 2.750 177.711 174.990 -0.049 0.000 1.249 535 C CA 0.208 59.226 59.018 -0.001 0.000 1.725 535 C CB -1.156 26.587 27.740 0.004 0.000 2.028 535 C HN 0.413 nan 8.230 nan 0.000 0.477 536 L N 0.147 121.333 121.223 -0.062 0.000 2.083 536 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 536 L C 2.940 179.756 176.870 -0.091 0.000 1.083 536 L CA 1.387 56.157 54.840 -0.117 0.000 0.752 536 L CB -0.679 41.319 42.059 -0.102 0.000 0.899 536 L HN 0.343 nan 8.230 nan 0.000 0.433 537 R N -0.102 120.366 120.500 -0.054 0.000 2.081 537 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 537 R C 2.411 178.685 176.300 -0.043 0.000 1.131 537 R CA 1.396 57.471 56.100 -0.043 0.000 0.960 537 R CB -0.423 29.859 30.300 -0.029 0.000 0.856 537 R HN 0.367 nan 8.270 nan 0.000 0.436 538 A N 1.222 124.016 122.820 -0.042 0.000 1.877 538 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 538 A C 2.160 179.713 177.584 -0.051 0.000 1.186 538 A CA 1.127 53.139 52.037 -0.042 0.000 0.620 538 A CB -0.521 18.456 19.000 -0.039 0.000 0.822 538 A HN 0.192 nan 8.150 nan 0.000 0.443 539 L N -1.646 119.536 121.223 -0.070 0.000 2.291 539 L HA -0.040 4.300 4.340 -0.000 0.000 0.214 539 L C 2.642 179.463 176.870 -0.082 0.000 1.120 539 L CA 0.849 55.640 54.840 -0.081 0.000 0.799 539 L CB -0.373 41.614 42.059 -0.119 0.000 0.925 539 L HN 0.342 nan 8.230 nan 0.000 0.446 540 R N 0.346 120.798 120.500 -0.080 0.000 2.240 540 R HA -0.069 4.271 4.340 -0.000 0.000 0.203 540 R C 1.464 177.739 176.300 -0.041 0.000 1.011 540 R CA 0.405 56.466 56.100 -0.066 0.000 1.007 540 R CB 0.202 30.464 30.300 -0.065 0.000 0.911 540 R HN 0.475 nan 8.270 nan 0.000 0.468 541 Q N -0.334 119.445 119.800 -0.035 0.000 2.237 541 Q HA 0.127 4.467 4.340 -0.000 0.000 0.252 541 Q C 0.159 176.147 176.000 -0.020 0.000 0.877 541 Q CA -0.020 55.769 55.803 -0.023 0.000 1.011 541 Q CB 0.985 29.712 28.738 -0.018 0.000 1.118 541 Q HN 0.040 nan 8.270 nan 0.000 0.458 542 V N 0.295 120.195 119.914 -0.023 0.000 3.621 542 V HA 0.143 4.263 4.120 -0.000 0.000 0.285 542 V C 0.192 176.278 176.094 -0.013 0.000 1.346 542 V CA 0.687 62.976 62.300 -0.018 0.000 1.104 542 V CB 0.033 31.843 31.823 -0.021 0.000 0.913 542 V HN 0.598 nan 8.190 nan 0.000 0.432 543 S N -0.466 115.226 115.700 -0.014 0.000 2.697 543 S HA 0.309 4.779 4.470 -0.000 0.000 0.313 543 S C -3.240 171.354 174.600 -0.010 0.000 0.954 543 S CA -1.079 57.115 58.200 -0.009 0.000 0.831 543 S CB 1.028 64.223 63.200 -0.007 0.000 1.030 543 S HN 0.039 nan 8.310 nan 0.000 0.466 544 P HA 0.438 nan 4.420 nan 0.000 0.271 544 P C 1.293 178.591 177.300 -0.004 0.000 1.233 544 P CA 1.387 64.483 63.100 -0.006 0.000 0.795 544 P CB -0.142 31.555 31.700 -0.003 0.000 0.936 545 G N -0.551 108.248 108.800 -0.002 0.000 2.317 545 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.227 545 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.227 545 G C 0.820 175.721 174.900 0.003 0.000 1.042 545 G CA 0.460 45.562 45.100 0.002 0.000 0.623 545 G HN 1.137 nan 8.290 nan 0.000 0.509 546 G N -0.586 108.211 108.800 -0.005 0.000 3.047 546 G HA2 0.014 3.974 3.960 -0.000 0.000 0.203 546 G HA3 0.014 3.974 3.960 -0.000 0.000 0.203 546 G C 0.934 175.820 174.900 -0.023 0.000 1.444 546 G CA 1.118 46.211 45.100 -0.012 0.000 1.020 546 G HN 1.953 nan 8.290 nan 0.000 0.563 547 S N 1.878 117.576 115.700 -0.003 0.000 3.507 547 S HA -0.184 4.286 4.470 -0.000 0.000 0.139 547 S C 1.929 176.508 174.600 -0.034 0.000 0.333 547 S CA 1.004 59.203 58.200 -0.000 0.000 1.411 547 S CB -1.212 61.992 63.200 0.007 0.000 0.973 547 S HN 1.351 nan 8.310 nan 0.000 0.248 548 I N 0.688 121.204 120.570 -0.090 0.000 2.830 548 I HA -0.153 4.017 4.170 -0.000 0.000 0.263 548 I C 1.882 177.936 176.117 -0.106 0.000 1.230 548 I CA 0.950 62.158 61.300 -0.153 0.000 1.480 548 I CB -0.277 37.518 38.000 -0.341 0.000 1.095 548 I HN 0.461 nan 8.210 nan 0.000 0.455 549 R N 0.618 121.097 120.500 -0.035 0.000 2.339 549 R HA 0.008 4.347 4.340 -0.000 0.000 0.199 549 R C 0.789 177.083 176.300 -0.010 0.000 1.018 549 R CA 0.761 56.863 56.100 0.004 0.000 1.036 549 R CB -0.881 29.457 30.300 0.064 0.000 0.899 549 R HN 0.327 nan 8.270 nan 0.000 0.473 550 D N 0.891 121.281 120.400 -0.016 0.000 2.264 550 D HA -0.028 4.612 4.640 -0.000 0.000 0.208 550 D C 0.322 176.620 176.300 -0.004 0.000 0.966 550 D CA 0.852 54.848 54.000 -0.007 0.000 0.864 550 D CB 0.188 40.982 40.800 -0.009 0.000 0.933 550 D HN 0.187 nan 8.370 nan 0.000 0.499 551 I N 0.723 121.282 120.570 -0.018 0.000 2.321 551 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 551 I C 1.188 177.290 176.117 -0.025 0.000 0.998 551 I CA -0.664 60.633 61.300 -0.004 0.000 1.227 551 I CB 1.170 39.161 38.000 -0.015 0.000 1.368 551 I HN -0.221 nan 8.210 nan 0.000 0.466 552 A N 6.371 129.193 122.820 0.004 0.000 1.903 552 A HA 0.170 4.490 4.320 -0.000 0.000 0.213 552 A C 0.484 177.829 177.584 -0.397 0.000 1.185 552 A CA 1.035 52.979 52.037 -0.156 0.000 0.628 552 A CB 0.044 19.023 19.000 -0.035 0.000 0.830 552 A HN 0.490 nan 8.150 nan 0.000 0.446 553 F N -1.572 118.372 119.950 -0.010 0.000 2.532 553 F HA 0.614 5.141 4.527 -0.000 0.000 0.321 553 F C -0.402 175.385 175.800 -0.021 0.000 1.089 553 F CA -1.013 56.979 58.000 -0.013 0.000 0.926 553 F CB 2.256 41.249 39.000 -0.013 0.000 1.168 553 F HN -0.212 nan 8.300 nan 0.000 0.459 554 V N 3.426 123.422 119.914 0.136 0.000 2.525 554 V HA 0.458 4.578 4.120 -0.000 0.000 0.299 554 V C -0.931 175.197 176.094 0.057 0.000 1.034 554 V CA -0.785 61.552 62.300 0.061 0.000 0.863 554 V CB 1.982 33.808 31.823 0.005 0.000 0.999 554 V HN 0.519 nan 8.190 nan 0.000 0.423 555 V N 6.678 126.615 119.914 0.037 0.000 2.370 555 V HA 0.458 4.578 4.120 -0.000 0.000 0.283 555 V C -0.050 176.038 176.094 -0.011 0.000 1.023 555 V CA -0.464 61.846 62.300 0.017 0.000 0.857 555 V CB 1.567 33.397 31.823 0.011 0.000 0.985 555 V HN 0.621 nan 8.190 nan 0.000 0.443 556 L N 5.788 126.995 121.223 -0.026 0.000 2.292 556 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 556 L C -0.151 176.686 176.870 -0.054 0.000 1.065 556 L CA -0.198 54.609 54.840 -0.055 0.000 0.806 556 L CB 1.549 43.559 42.059 -0.081 0.000 1.175 556 L HN 0.398 nan 8.230 nan 0.000 0.431 557 V N 1.443 121.321 119.914 -0.061 0.000 3.165 557 V HA 0.940 5.060 4.120 -0.000 0.000 0.309 557 V C -0.003 176.055 176.094 -0.061 0.000 1.267 557 V CA 0.270 62.541 62.300 -0.049 0.000 1.067 557 V CB 2.176 33.982 31.823 -0.028 0.000 1.082 557 V HN 0.978 nan 8.190 nan 0.000 0.451 558 G N 0.614 109.389 108.800 -0.042 0.000 2.707 558 G HA2 0.198 4.158 3.960 -0.000 0.000 0.686 558 G HA3 0.198 4.158 3.960 -0.000 0.000 0.686 558 G C 0.718 175.587 174.900 -0.052 0.000 1.315 558 G CA -0.080 44.997 45.100 -0.037 0.000 0.832 558 G HN 1.763 nan 8.290 nan 0.000 0.573 559 G N -0.250 108.531 108.800 -0.032 0.000 2.513 559 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.219 559 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.219 559 G C 2.046 176.904 174.900 -0.070 0.000 1.160 559 G CA 2.132 47.213 45.100 -0.032 0.000 0.767 559 G HN 1.577 nan 8.290 nan 0.000 0.571 560 S N 0.644 116.274 115.700 -0.117 0.000 2.555 560 S HA -0.024 4.446 4.470 -0.000 0.000 0.230 560 S C 2.394 176.824 174.600 -0.284 0.000 0.978 560 S CA 1.066 59.136 58.200 -0.215 0.000 0.934 560 S CB -0.041 62.945 63.200 -0.357 0.000 0.766 560 S HN 0.636 nan 8.310 nan 0.000 0.533 561 S N 0.869 116.440 115.700 -0.215 0.000 2.603 561 S HA 0.215 4.685 4.470 -0.000 0.000 0.220 561 S C 1.140 175.673 174.600 -0.112 0.000 0.967 561 S CA 0.095 58.184 58.200 -0.184 0.000 0.920 561 S CB -0.357 62.760 63.200 -0.139 0.000 0.773 561 S HN 0.453 nan 8.310 nan 0.000 0.529 562 L N 1.129 122.300 121.223 -0.086 0.000 2.667 562 L HA 0.361 4.701 4.340 -0.000 0.000 0.232 562 L C 0.509 177.368 176.870 -0.018 0.000 1.138 562 L CA -0.266 54.552 54.840 -0.036 0.000 0.921 562 L CB -0.196 41.854 42.059 -0.016 0.000 1.180 562 L HN 0.237 nan 8.230 nan 0.000 0.487 563 D N 0.049 120.409 120.400 -0.067 0.000 2.382 563 D HA -0.066 4.574 4.640 -0.000 0.000 0.240 563 D C 1.147 177.439 176.300 -0.014 0.000 1.146 563 D CA -0.172 53.793 54.000 -0.060 0.000 0.897 563 D CB 0.711 41.407 40.800 -0.173 0.000 1.197 563 D HN 0.200 nan 8.370 nan 0.000 0.432 564 F N 0.216 120.136 119.950 -0.051 0.000 2.802 564 F HA 0.268 4.795 4.527 -0.000 0.000 0.300 564 F C 1.036 176.825 175.800 -0.019 0.000 1.168 564 F CA 0.243 58.229 58.000 -0.024 0.000 1.433 564 F CB 0.008 39.008 39.000 -0.001 0.000 1.115 564 F HN 0.352 nan 8.300 nan 0.000 0.582 565 E N 0.418 120.312 120.200 -0.510 0.000 2.571 565 E HA 0.149 4.499 4.350 -0.000 0.000 0.204 565 E C 2.046 178.507 176.600 -0.232 0.000 0.851 565 E CA 0.229 56.393 56.400 -0.393 0.000 1.358 565 E CB -0.087 29.260 29.700 -0.588 0.000 1.327 565 E HN 0.326 nan 8.360 nan 0.000 0.665 566 I N 2.477 122.901 120.570 -0.243 0.000 2.145 566 I HA -0.253 3.917 4.170 -0.000 0.000 0.244 566 I C -0.797 175.225 176.117 -0.158 0.000 1.075 566 I CA 1.739 62.926 61.300 -0.188 0.000 1.332 566 I CB -1.225 36.606 38.000 -0.282 0.000 1.033 566 I HN 0.095 nan 8.210 nan 0.000 0.410 567 P HA -0.164 nan 4.420 nan 0.000 0.215 567 P C 1.504 178.760 177.300 -0.074 0.000 1.157 567 P CA 1.317 64.352 63.100 -0.108 0.000 0.863 567 P CB 0.010 31.658 31.700 -0.086 0.000 0.787 568 Q N -0.509 119.252 119.800 -0.064 0.000 2.061 568 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 568 Q C 2.206 178.177 176.000 -0.047 0.000 0.984 568 Q CA 1.464 57.240 55.803 -0.044 0.000 0.846 568 Q CB -1.458 27.261 28.738 -0.032 0.000 0.902 568 Q HN 0.221 nan 8.270 nan 0.000 0.421 569 L N -0.320 120.869 121.223 -0.056 0.000 2.043 569 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 569 L C 2.154 179.001 176.870 -0.039 0.000 1.075 569 L CA 1.141 55.957 54.840 -0.040 0.000 0.752 569 L CB -0.489 41.550 42.059 -0.034 0.000 0.891 569 L HN 0.274 nan 8.230 nan 0.000 0.432 570 I N -1.088 119.456 120.570 -0.043 0.000 2.353 570 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 570 I C 2.473 178.557 176.117 -0.055 0.000 1.119 570 I CA 1.139 62.416 61.300 -0.040 0.000 1.417 570 I CB -0.543 37.431 38.000 -0.043 0.000 1.078 570 I HN 0.232 nan 8.210 nan 0.000 0.421 571 T N 0.158 114.678 114.554 -0.056 0.000 2.708 571 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 571 T C 1.772 176.417 174.700 -0.093 0.000 1.037 571 T CA 1.752 63.818 62.100 -0.058 0.000 1.146 571 T CB -0.178 68.667 68.868 -0.039 0.000 0.865 571 T HN 0.286 nan 8.240 nan 0.000 0.435 572 E N 1.535 121.676 120.200 -0.098 0.000 2.023 572 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 572 E C 2.295 178.665 176.600 -0.382 0.000 1.003 572 E CA 1.636 57.943 56.400 -0.155 0.000 0.809 572 E CB -0.758 28.901 29.700 -0.069 0.000 0.755 572 E HN 0.380 nan 8.360 nan 0.000 0.449 573 A N 0.772 123.442 122.820 -0.251 0.000 1.873 573 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 573 A C 2.383 179.852 177.584 -0.191 0.000 1.193 573 A CA 1.911 53.803 52.037 -0.243 0.000 0.629 573 A CB -0.988 17.995 19.000 -0.029 0.000 0.826 573 A HN 0.376 nan 8.150 nan 0.000 0.447 574 L N 0.807 121.988 121.223 -0.069 0.000 2.362 574 L HA -0.122 4.218 4.340 -0.000 0.000 0.219 574 L C 2.794 179.684 176.870 0.033 0.000 1.134 574 L CA 1.258 56.133 54.840 0.058 0.000 0.807 574 L CB -0.702 41.351 42.059 -0.011 0.000 0.927 574 L HN 0.645 nan 8.230 nan 0.000 0.447 575 S N -1.248 114.377 115.700 -0.126 0.000 2.419 575 S HA -0.216 4.254 4.470 -0.000 0.000 0.233 575 S C 1.612 176.222 174.600 0.017 0.000 1.016 575 S CA 0.916 59.072 58.200 -0.073 0.000 0.974 575 S CB -0.762 62.389 63.200 -0.083 0.000 0.786 575 S HN 0.571 nan 8.310 nan 0.000 0.492 576 H N -0.823 118.225 119.070 -0.038 0.000 2.545 576 H HA 0.042 4.598 4.556 -0.000 0.000 0.282 576 H C 0.541 175.695 175.328 -0.290 0.000 1.020 576 H CA 1.121 57.057 56.048 -0.186 0.000 1.243 576 H CB -0.154 29.435 29.762 -0.288 0.000 1.377 576 H HN 0.538 nan 8.280 nan 0.000 0.581 577 Y N -0.666 119.665 120.300 0.052 0.000 2.507 577 Y HA 0.253 4.803 4.550 -0.000 0.000 0.254 577 Y C 1.548 177.434 175.900 -0.024 0.000 1.171 577 Y CA 0.097 58.203 58.100 0.010 0.000 1.238 577 Y CB 0.976 39.430 38.460 -0.009 0.000 1.148 577 Y HN 0.234 nan 8.280 nan 0.000 0.525 578 G N 0.750 109.597 108.800 0.079 0.000 2.160 578 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 578 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 578 G C -0.309 174.558 174.900 -0.055 0.000 1.008 578 G CA 0.281 45.383 45.100 0.004 0.000 0.724 578 G HN 0.147 nan 8.290 nan 0.000 0.514 579 V N 0.201 120.094 119.914 -0.036 0.000 2.472 579 V HA 0.569 4.689 4.120 -0.000 0.000 0.290 579 V C 0.759 176.757 176.094 -0.160 0.000 1.037 579 V CA -0.850 61.378 62.300 -0.121 0.000 0.908 579 V CB 1.982 33.768 31.823 -0.062 0.000 0.985 579 V HN 0.190 nan 8.190 nan 0.000 0.454 580 V N 4.336 124.074 119.914 -0.293 0.000 2.432 580 V HA 0.761 4.881 4.120 -0.000 0.000 0.275 580 V C 0.403 176.455 176.094 -0.070 0.000 1.043 580 V CA -0.004 62.174 62.300 -0.204 0.000 0.925 580 V CB 1.155 32.787 31.823 -0.318 0.000 0.985 580 V HN 1.043 nan 8.190 nan 0.000 0.466 581 A N 3.875 126.678 122.820 -0.028 0.000 2.475 581 A HA 1.030 5.350 4.320 -0.000 0.000 0.301 581 A C -0.120 177.464 177.584 -0.000 0.000 1.059 581 A CA 0.015 52.048 52.037 -0.007 0.000 0.710 581 A CB 2.180 21.162 19.000 -0.030 0.000 1.288 581 A HN 1.375 nan 8.150 nan 0.000 0.408 582 G N -0.307 108.495 108.800 0.003 0.000 2.356 582 G HA2 0.465 4.425 3.960 -0.000 0.000 0.294 582 G HA3 0.465 4.425 3.960 -0.000 0.000 0.294 582 G C -1.231 173.662 174.900 -0.013 0.000 1.423 582 G CA -0.624 44.473 45.100 -0.005 0.000 0.806 582 G HN 0.904 nan 8.290 nan 0.000 0.527 583 Q N 0.066 119.854 119.800 -0.020 0.000 2.300 583 Q HA 0.438 4.777 4.340 -0.000 0.000 0.280 583 Q C 0.937 176.929 176.000 -0.012 0.000 1.033 583 Q CA 0.299 56.087 55.803 -0.026 0.000 0.903 583 Q CB 0.423 29.146 28.738 -0.024 0.000 1.195 583 Q HN 0.869 nan 8.270 nan 0.000 0.386 584 G N 2.720 111.510 108.800 -0.017 0.000 2.636 584 G HA2 0.073 4.033 3.960 -0.000 0.000 0.246 584 G HA3 0.073 4.033 3.960 -0.000 0.000 0.246 584 G C -0.327 174.568 174.900 -0.008 0.000 1.216 584 G CA -0.347 44.747 45.100 -0.010 0.000 0.854 584 G HN 0.754 nan 8.290 nan 0.000 0.572 585 N N -0.029 118.666 118.700 -0.007 0.000 2.722 585 N HA 0.147 4.887 4.740 -0.000 0.000 0.242 585 N C -0.698 174.807 175.510 -0.009 0.000 1.398 585 N CA -0.603 52.444 53.050 -0.004 0.000 0.755 585 N CB 0.189 38.676 38.487 -0.001 0.000 1.268 585 N HN 0.206 nan 8.380 nan 0.000 0.522 586 I N 2.146 122.711 120.570 -0.009 0.000 2.752 586 I HA 0.032 4.202 4.170 -0.000 0.000 0.289 586 I C 1.489 177.598 176.117 -0.013 0.000 1.197 586 I CA 0.819 62.111 61.300 -0.013 0.000 1.432 586 I CB 0.189 38.184 38.000 -0.009 0.000 1.359 586 I HN 0.557 nan 8.210 nan 0.000 0.571 587 R N 4.000 124.486 120.500 -0.023 0.000 4.000 587 R HA -0.249 4.091 4.340 -0.000 0.000 0.348 587 R C 1.233 177.519 176.300 -0.022 0.000 1.204 587 R CA 0.761 56.844 56.100 -0.029 0.000 0.987 587 R CB -1.930 28.356 30.300 -0.024 0.000 1.446 587 R HN 1.197 nan 8.270 nan 0.000 0.555 588 G N -1.296 107.495 108.800 -0.016 0.000 2.168 588 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.263 588 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.263 588 G C 0.548 175.451 174.900 0.005 0.000 0.977 588 G CA 1.518 46.613 45.100 -0.008 0.000 0.659 588 G HN 0.807 nan 8.290 nan 0.000 0.533 589 T N -4.586 109.975 114.554 0.011 0.000 3.092 589 T HA 0.325 4.675 4.350 -0.000 0.000 0.273 589 T C 1.270 175.984 174.700 0.023 0.000 0.898 589 T CA 0.879 62.993 62.100 0.024 0.000 0.868 589 T CB 0.329 69.222 68.868 0.040 0.000 1.228 589 T HN 0.048 nan 8.240 nan 0.000 0.555 590 E N 1.634 121.844 120.200 0.016 0.000 2.400 590 E HA 0.386 4.736 4.350 -0.000 0.000 0.195 590 E C 1.565 178.172 176.600 0.012 0.000 1.012 590 E CA 0.894 57.303 56.400 0.016 0.000 0.875 590 E CB 0.258 29.965 29.700 0.013 0.000 0.859 590 E HN 0.786 nan 8.360 nan 0.000 0.498 591 G N 2.193 110.998 108.800 0.008 0.000 2.553 591 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 591 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 591 G C -2.287 172.612 174.900 -0.001 0.000 1.277 591 G CA -0.158 44.945 45.100 0.005 0.000 0.910 591 G HN 0.073 nan 8.290 nan 0.000 0.576 592 P HA 0.253 nan 4.420 nan 0.000 0.218 592 P C 0.120 177.414 177.300 -0.011 0.000 1.793 592 P CA 0.380 63.471 63.100 -0.014 0.000 0.941 592 P CB -0.649 31.036 31.700 -0.026 0.000 1.919 593 R N -0.858 119.640 120.500 -0.004 0.000 2.762 593 R HA 0.325 4.665 4.340 -0.000 0.000 0.271 593 R C -0.475 175.827 176.300 0.004 0.000 1.038 593 R CA -0.929 55.171 56.100 0.001 0.000 0.906 593 R CB -0.362 29.941 30.300 0.006 0.000 1.259 593 R HN -0.180 nan 8.270 nan 0.000 0.457 594 N N -1.636 117.069 118.700 0.008 0.000 2.782 594 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 594 N C 0.499 176.011 175.510 0.004 0.000 1.101 594 N CA 1.085 54.140 53.050 0.009 0.000 0.764 594 N CB -0.617 37.877 38.487 0.011 0.000 1.122 594 N HN 0.737 nan 8.380 nan 0.000 0.561 595 A N -0.742 122.078 122.820 0.001 0.000 1.841 595 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 595 A C 2.131 179.714 177.584 -0.000 0.000 1.195 595 A CA 1.853 53.888 52.037 -0.003 0.000 0.611 595 A CB -0.715 18.282 19.000 -0.005 0.000 0.835 595 A HN 0.203 nan 8.150 nan 0.000 0.443 596 V N 0.046 119.964 119.914 0.007 0.000 2.295 596 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 596 V C 3.101 179.203 176.094 0.014 0.000 1.049 596 V CA 1.994 64.302 62.300 0.013 0.000 1.024 596 V CB -1.320 30.516 31.823 0.022 0.000 0.648 596 V HN 0.629 nan 8.190 nan 0.000 0.447 597 A N -0.485 122.345 122.820 0.016 0.000 1.917 597 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 597 A C 2.391 179.977 177.584 0.003 0.000 1.182 597 A CA 2.812 54.860 52.037 0.018 0.000 0.633 597 A CB -1.097 17.916 19.000 0.021 0.000 0.819 597 A HN 0.505 nan 8.150 nan 0.000 0.448 598 T N -0.551 114.000 114.554 -0.004 0.000 2.821 598 T HA -0.006 4.343 4.350 -0.000 0.000 0.267 598 T C 1.943 176.624 174.700 -0.032 0.000 1.046 598 T CA 1.416 63.505 62.100 -0.018 0.000 1.139 598 T CB -0.565 68.292 68.868 -0.018 0.000 0.871 598 T HN 0.620 nan 8.240 nan 0.000 0.454 599 G N 1.314 110.101 108.800 -0.022 0.000 2.418 599 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 599 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 599 G C 1.492 176.370 174.900 -0.037 0.000 1.158 599 G CA 0.488 45.572 45.100 -0.026 0.000 0.771 599 G HN 0.423 nan 8.290 nan 0.000 0.545 600 L N -0.335 120.877 121.223 -0.019 0.000 1.970 600 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 600 L C 2.720 179.495 176.870 -0.158 0.000 1.071 600 L CA 1.045 55.874 54.840 -0.018 0.000 0.751 600 L CB -0.683 41.411 42.059 0.059 0.000 0.889 600 L HN 0.270 nan 8.230 nan 0.000 0.432 601 L N 0.185 121.333 121.223 -0.126 0.000 1.997 601 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 601 L C 2.398 179.140 176.870 -0.214 0.000 1.074 601 L CA 1.886 56.619 54.840 -0.177 0.000 0.763 601 L CB -0.683 41.324 42.059 -0.087 0.000 0.890 601 L HN 0.117 nan 8.230 nan 0.000 0.434 602 L N -0.708 120.430 121.223 -0.141 0.000 2.079 602 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 602 L C 2.659 179.434 176.870 -0.158 0.000 1.081 602 L CA 1.324 56.090 54.840 -0.124 0.000 0.752 602 L CB -0.928 41.082 42.059 -0.081 0.000 0.896 602 L HN 0.479 nan 8.230 nan 0.000 0.433 603 A N 0.162 122.872 122.820 -0.183 0.000 1.873 603 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 603 A C 2.423 179.807 177.584 -0.333 0.000 1.186 603 A CA 1.616 53.548 52.037 -0.174 0.000 0.616 603 A CB -1.284 17.666 19.000 -0.084 0.000 0.823 603 A HN 0.428 nan 8.150 nan 0.000 0.442 604 G N -0.630 107.695 108.800 -0.791 0.000 2.476 604 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 604 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 604 G C 1.548 176.203 174.900 -0.408 0.000 1.164 604 G CA 1.038 45.415 45.100 -1.204 0.000 0.768 604 G HN 0.645 nan 8.290 nan 0.000 0.560 605 Q N 0.355 119.980 119.800 -0.292 0.000 2.297 605 Q HA 0.107 4.447 4.340 -0.000 0.000 0.208 605 Q C 1.689 177.627 176.000 -0.102 0.000 0.981 605 Q CA 0.499 56.210 55.803 -0.153 0.000 0.876 605 Q CB -0.177 28.490 28.738 -0.118 0.000 0.921 605 Q HN 0.528 nan 8.270 nan 0.000 0.446 606 A N 0.000 122.757 122.820 -0.105 0.000 2.254 606 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 606 A CA 0.000 52.003 52.037 -0.056 0.000 0.836 606 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 606 A HN 0.000 nan 8.150 nan 0.000 0.486