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 2obe_1_B DATA FIRST_RESID 5 DATA SEQUENCE MLPQWAYMHI AGQDASEYLS PGLVQFARAT DTYFSLGNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFVPVDRED NTYSYKVRYT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPSFKP YSGTAYNSLA PKGAPNTCQW TYKAXXXXXT EKTYTYGNAP DATA SEQUENCE VQGINITKDG IQLGTDTDDQ PIYADKTYQP EPQVGDAEWH XXXXXXEKYG DATA SEQUENCE GRALKPDTKM KPCYGSFAKP TNKEGGQANV KTXXXXTKEY DIDMAFFDNR DATA SEQUENCE SAAAAGLAPE IVLYTENVDL ETPDTHIVYK AGTDDSSSSI NLGQQAMPNR DATA SEQUENCE PNYIGFRDNF IGLMYYNSTG NMGVLAGQAS QLNAVVDLQD RNTELSYQLL DATA SEQUENCE LDSLGDRTRY FSMWNQAVDS YDPDVRIIEN HGVEDELPNY CFPLDAVGRT DATA SEQUENCE DTYQGIKANX XXXTTWTKDD SVNDANEIGK GNPFAMEINI QANLWRNFLY DATA SEQUENCE ANVALYLPDS YKYTPANVTL PTNTNTYDYM NGRVVAPSLV DSYINIGARW DATA SEQUENCE SLDPMDNVNP FNHHRNAGLR YRSMLLGNGR YVPFHIQVPQ KFFAIKSLLL DATA SEQUENCE LPGSYTYEWN FRKDVNMILQ SSLGNDLRTD GASISFTSIN LYATFFPMAH DATA SEQUENCE NTASTLEAML RNDTNDQSFN DYLSAANMLY PIPANATNVP ISIPSRNWAA DATA SEQUENCE FRGWSFTRLK TKETPSLGSG FDPYFVYSGS IPYLDGTFYL NHTFKKVSIT DATA SEQUENCE FDSSVSWPGN DRLLTPNEFE IKRTVDGEGY NVAQCNMTKD WFLVQMLAHY DATA SEQUENCE NIGYQGFYVP EGYKDRMYSF FRNFQPMSRQ VVDEVNYKDY QAVTLAYQHN DATA SEQUENCE NSGFVGYLAP TMRQGQPYPA NYPYPLIGKS AVTSVTQKKF LCDRVMWRIP DATA SEQUENCE FSSNFMSMGA LTDLGQNMLY ANSAHALDMN FEVDPMDEST LLYVVFEVFD DATA SEQUENCE VVRVHQPHRG VIEAVYLRTP FSAGN 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 175.808 176.300 -0.820 0.000 1.140 5 M CA 0.000 54.982 55.300 -0.530 0.000 0.988 5 M CB 0.000 32.229 32.600 -0.618 0.000 1.302 6 L N 0.683 121.538 121.223 -0.614 0.000 2.109 6 L HA 0.003 4.343 4.340 -0.001 0.000 0.207 6 L C -0.691 176.105 176.870 -0.123 0.000 1.086 6 L CA 2.030 56.614 54.840 -0.427 0.000 0.760 6 L CB -0.430 41.473 42.059 -0.260 0.000 0.910 6 L HN 0.458 nan 8.230 nan 0.000 0.437 7 P HA -0.087 nan 4.420 nan 0.000 0.224 7 P C 1.335 178.650 177.300 0.025 0.000 1.157 7 P CA 0.710 63.798 63.100 -0.020 0.000 0.799 7 P CB 0.027 31.697 31.700 -0.050 0.000 0.809 8 Q N -1.181 118.605 119.800 -0.024 0.000 2.112 8 Q HA -0.204 4.135 4.340 -0.001 0.000 0.206 8 Q C 1.803 177.943 176.000 0.233 0.000 0.987 8 Q CA 1.427 57.274 55.803 0.074 0.000 0.858 8 Q CB -0.640 28.107 28.738 0.015 0.000 0.905 8 Q HN 0.338 nan 8.270 nan 0.000 0.420 9 W N 0.199 121.508 121.300 0.014 0.000 2.443 9 W HA 0.145 4.804 4.660 -0.001 0.000 0.296 9 W C 2.493 178.996 176.519 -0.028 0.000 1.202 9 W CA 0.438 57.780 57.345 -0.005 0.000 1.312 9 W CB -0.965 28.497 29.460 0.004 0.000 1.120 9 W HN 0.171 nan 8.180 nan 0.000 0.536 10 A N -0.570 122.394 122.820 0.239 0.000 1.902 10 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 10 A C 1.884 179.436 177.584 -0.053 0.000 1.181 10 A CA 1.683 53.793 52.037 0.121 0.000 0.623 10 A CB -1.520 17.554 19.000 0.125 0.000 0.818 10 A HN 0.290 nan 8.150 nan 0.000 0.443 11 Y N -0.225 119.988 120.300 -0.144 0.000 2.151 11 Y HA -0.187 4.362 4.550 -0.001 0.000 0.284 11 Y C 1.877 177.480 175.900 -0.495 0.000 1.166 11 Y CA 2.012 59.953 58.100 -0.266 0.000 1.163 11 Y CB -0.017 38.366 38.460 -0.128 0.000 0.974 11 Y HN 0.227 nan 8.280 nan 0.000 0.511 12 M N -0.076 119.312 119.600 -0.353 0.000 2.453 12 M HA 0.082 4.561 4.480 -0.001 0.000 0.239 12 M C -0.298 175.801 176.300 -0.335 0.000 1.151 12 M CA 0.294 55.362 55.300 -0.386 0.000 0.989 12 M CB -1.150 31.402 32.600 -0.081 0.000 1.548 12 M HN 0.317 nan 8.290 nan 0.000 0.479 13 H N -0.947 118.063 119.070 -0.100 0.000 2.713 13 H HA -0.173 4.382 4.556 -0.001 0.000 0.311 13 H C 1.197 176.499 175.328 -0.043 0.000 1.175 13 H CA 0.682 56.687 56.048 -0.073 0.000 1.143 13 H CB -2.374 27.330 29.762 -0.097 0.000 1.434 13 H HN 0.415 nan 8.280 nan 0.000 0.418 14 I N -0.866 119.698 120.570 -0.010 0.000 2.716 14 I HA 0.092 4.261 4.170 -0.001 0.000 0.259 14 I C 1.599 177.646 176.117 -0.117 0.000 1.172 14 I CA 1.211 62.424 61.300 -0.145 0.000 1.478 14 I CB 0.298 38.061 38.000 -0.396 0.000 1.104 14 I HN 0.489 nan 8.210 nan 0.000 0.439 15 A N -0.789 122.048 122.820 0.027 0.000 2.524 15 A HA 0.812 5.131 4.320 -0.001 0.000 0.289 15 A C 0.140 177.815 177.584 0.151 0.000 1.248 15 A CA -0.054 52.039 52.037 0.092 0.000 0.712 15 A CB 0.458 19.562 19.000 0.173 0.000 1.312 15 A HN 0.338 nan 8.150 nan 0.000 0.441 16 G N -0.900 107.986 108.800 0.144 0.000 2.508 16 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.220 16 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.220 16 G C -0.328 174.667 174.900 0.159 0.000 1.287 16 G CA 0.031 45.223 45.100 0.153 0.000 0.916 16 G HN 1.123 nan 8.290 nan 0.000 0.574 17 Q N 0.375 120.294 119.800 0.198 0.000 2.382 17 Q HA 0.481 4.821 4.340 -0.001 0.000 0.229 17 Q C -0.407 175.730 176.000 0.229 0.000 1.006 17 Q CA -0.507 55.408 55.803 0.186 0.000 0.916 17 Q CB 0.599 29.454 28.738 0.196 0.000 1.235 17 Q HN 0.549 nan 8.270 nan 0.000 0.512 18 D N -0.285 120.165 120.400 0.083 0.000 2.377 18 D HA 0.155 4.794 4.640 -0.001 0.000 0.245 18 D C 0.733 176.820 176.300 -0.354 0.000 1.196 18 D CA 0.054 54.040 54.000 -0.023 0.000 0.962 18 D CB 0.774 41.539 40.800 -0.058 0.000 1.127 18 D HN 0.643 nan 8.370 nan 0.000 0.471 19 A N 0.331 122.813 122.820 -0.563 0.000 1.940 19 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 19 A C 1.984 179.094 177.584 -0.790 0.000 1.176 19 A CA 2.212 53.543 52.037 -1.177 0.000 0.631 19 A CB -0.783 17.852 19.000 -0.608 0.000 0.814 19 A HN 0.523 nan 8.150 nan 0.000 0.446 20 S N -0.302 115.148 115.700 -0.416 0.000 2.469 20 S HA -0.152 4.317 4.470 -0.001 0.000 0.238 20 S C 1.423 175.883 174.600 -0.234 0.000 0.998 20 S CA 1.475 59.509 58.200 -0.277 0.000 0.957 20 S CB -0.236 62.865 63.200 -0.166 0.000 0.764 20 S HN 0.710 nan 8.310 nan 0.000 0.514 21 E N 0.307 120.363 120.200 -0.240 0.000 2.162 21 E HA 0.076 4.426 4.350 -0.001 0.000 0.193 21 E C 1.758 178.316 176.600 -0.069 0.000 0.953 21 E CA 0.802 57.135 56.400 -0.111 0.000 0.849 21 E CB -0.220 29.462 29.700 -0.030 0.000 0.810 21 E HN 0.891 nan 8.360 nan 0.000 0.470 22 Y N 0.223 120.482 120.300 -0.069 0.000 2.517 22 Y HA 0.292 4.841 4.550 -0.001 0.000 0.281 22 Y C 0.600 176.455 175.900 -0.075 0.000 1.125 22 Y CA -0.229 57.844 58.100 -0.045 0.000 1.283 22 Y CB -0.387 38.064 38.460 -0.016 0.000 1.042 22 Y HN -0.200 nan 8.280 nan 0.000 0.547 23 L N 2.099 123.190 121.223 -0.221 0.000 2.436 23 L HA 0.183 4.522 4.340 -0.001 0.000 0.265 23 L C 0.892 177.699 176.870 -0.105 0.000 1.168 23 L CA -0.492 54.237 54.840 -0.185 0.000 0.815 23 L CB 0.680 42.460 42.059 -0.465 0.000 1.109 23 L HN 0.336 nan 8.230 nan 0.000 0.462 24 S N 1.665 117.326 115.700 -0.064 0.000 2.552 24 S HA 0.050 4.519 4.470 -0.001 0.000 0.289 24 S C -1.787 172.778 174.600 -0.058 0.000 1.304 24 S CA -0.981 57.196 58.200 -0.038 0.000 1.063 24 S CB 0.651 63.839 63.200 -0.021 0.000 0.848 24 S HN 0.436 nan 8.310 nan 0.000 0.499 25 P HA -0.020 nan 4.420 nan 0.000 0.217 25 P C 1.685 178.975 177.300 -0.018 0.000 1.148 25 P CA 1.589 64.668 63.100 -0.034 0.000 0.828 25 P CB -0.409 31.281 31.700 -0.017 0.000 0.783 26 G N -0.074 108.723 108.800 -0.005 0.000 2.418 26 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 26 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 26 G C 1.417 176.342 174.900 0.043 0.000 1.158 26 G CA 0.442 45.557 45.100 0.025 0.000 0.771 26 G HN 0.224 nan 8.290 nan 0.000 0.545 27 L N 0.980 122.193 121.223 -0.017 0.000 2.046 27 L HA 0.018 4.357 4.340 -0.001 0.000 0.208 27 L C 2.869 179.732 176.870 -0.011 0.000 1.077 27 L CA 1.399 56.212 54.840 -0.044 0.000 0.747 27 L CB -0.559 41.416 42.059 -0.140 0.000 0.896 27 L HN 0.091 nan 8.230 nan 0.000 0.432 28 V N -0.325 119.550 119.914 -0.065 0.000 2.427 28 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 28 V C 2.547 178.639 176.094 -0.003 0.000 1.051 28 V CA 1.806 64.061 62.300 -0.074 0.000 1.048 28 V CB -0.705 31.049 31.823 -0.116 0.000 0.666 28 V HN 0.641 nan 8.190 nan 0.000 0.456 29 Q N -0.297 119.519 119.800 0.026 0.000 2.020 29 Q HA -0.257 4.082 4.340 -0.001 0.000 0.202 29 Q C 2.248 178.295 176.000 0.079 0.000 0.982 29 Q CA 2.250 58.076 55.803 0.038 0.000 0.838 29 Q CB -0.285 28.477 28.738 0.041 0.000 0.899 29 Q HN 0.566 nan 8.270 nan 0.000 0.423 30 F N 0.942 120.882 119.950 -0.016 0.000 2.091 30 F HA -0.229 4.297 4.527 -0.001 0.000 0.299 30 F C 2.065 177.869 175.800 0.007 0.000 1.103 30 F CA 1.830 59.835 58.000 0.009 0.000 1.228 30 F CB -0.609 38.404 39.000 0.021 0.000 0.984 30 F HN 0.190 nan 8.300 nan 0.000 0.477 31 A N 0.236 123.263 122.820 0.345 0.000 1.898 31 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 31 A C 2.310 179.911 177.584 0.029 0.000 1.181 31 A CA 1.602 53.774 52.037 0.225 0.000 0.620 31 A CB -0.673 18.414 19.000 0.144 0.000 0.819 31 A HN 0.450 nan 8.150 nan 0.000 0.442 32 R N -0.532 119.964 120.500 -0.007 0.000 2.115 32 R HA -0.005 4.335 4.340 -0.001 0.000 0.230 32 R C 2.386 178.632 176.300 -0.090 0.000 1.111 32 R CA 1.038 57.108 56.100 -0.050 0.000 0.976 32 R CB -0.376 29.899 30.300 -0.042 0.000 0.870 32 R HN 0.514 nan 8.270 nan 0.000 0.445 33 A N 0.389 123.143 122.820 -0.110 0.000 1.930 33 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 33 A C 2.104 179.553 177.584 -0.225 0.000 1.175 33 A CA 1.949 53.898 52.037 -0.147 0.000 0.627 33 A CB -0.519 18.381 19.000 -0.167 0.000 0.815 33 A HN 0.462 nan 8.150 nan 0.000 0.443 34 T N -4.153 110.202 114.554 -0.332 0.000 3.040 34 T HA 0.081 4.430 4.350 -0.001 0.000 0.250 34 T C 1.130 175.420 174.700 -0.684 0.000 1.058 34 T CA 0.918 62.659 62.100 -0.598 0.000 0.988 34 T CB -0.071 68.583 68.868 -0.357 0.000 0.993 34 T HN 0.293 nan 8.240 nan 0.000 0.519 35 D N 2.675 122.876 120.400 -0.332 0.000 2.280 35 D HA -0.159 4.480 4.640 -0.001 0.000 0.206 35 D C 2.096 178.235 176.300 -0.267 0.000 0.988 35 D CA 2.003 55.867 54.000 -0.227 0.000 0.886 35 D CB -0.207 40.516 40.800 -0.129 0.000 0.914 35 D HN 0.683 nan 8.370 nan 0.000 0.473 36 T N -2.982 111.342 114.554 -0.383 0.000 3.067 36 T HA -0.060 4.289 4.350 -0.001 0.000 0.257 36 T C 1.459 176.095 174.700 -0.107 0.000 1.105 36 T CA 0.693 62.678 62.100 -0.192 0.000 1.104 36 T CB -0.394 68.430 68.868 -0.073 0.000 0.925 36 T HN 0.405 nan 8.240 nan 0.000 0.498 37 Y N -1.292 119.048 120.300 0.066 0.000 2.426 37 Y HA 0.694 5.243 4.550 -0.001 0.000 0.249 37 Y C 0.014 176.050 175.900 0.228 0.000 1.103 37 Y CA -2.464 55.698 58.100 0.104 0.000 1.256 37 Y CB 0.418 38.922 38.460 0.075 0.000 1.208 37 Y HN 0.141 nan 8.280 nan 0.000 0.519 38 F N 1.389 121.293 119.950 -0.076 0.000 2.730 38 F HA 0.583 5.109 4.527 -0.001 0.000 0.335 38 F C -0.905 174.888 175.800 -0.012 0.000 1.212 38 F CA -1.426 56.602 58.000 0.047 0.000 1.016 38 F CB 1.551 40.660 39.000 0.182 0.000 1.290 38 F HN -0.155 nan 8.300 nan 0.000 0.495 39 S N 5.964 121.444 115.700 -0.367 0.000 2.457 39 S HA 0.520 4.989 4.470 -0.001 0.000 0.289 39 S C 0.478 174.912 174.600 -0.277 0.000 1.163 39 S CA -0.461 57.592 58.200 -0.245 0.000 1.078 39 S CB 0.698 63.788 63.200 -0.183 0.000 0.987 39 S HN 0.788 nan 8.310 nan 0.000 0.482 40 L N 4.721 125.904 121.223 -0.067 0.000 2.638 40 L HA 0.303 4.642 4.340 -0.001 0.000 0.232 40 L C 2.511 179.452 176.870 0.118 0.000 1.099 40 L CA 0.279 55.150 54.840 0.051 0.000 0.883 40 L CB -0.497 41.718 42.059 0.260 0.000 1.136 40 L HN 0.854 nan 8.230 nan 0.000 0.492 41 G N 2.026 110.864 108.800 0.063 0.000 2.574 41 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.220 41 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.220 41 G C 1.231 176.169 174.900 0.063 0.000 1.173 41 G CA 1.427 46.576 45.100 0.081 0.000 0.772 41 G HN 0.599 nan 8.290 nan 0.000 0.585 42 N N 0.359 119.040 118.700 -0.031 0.000 2.571 42 N HA 0.044 4.784 4.740 -0.001 0.000 0.189 42 N C 1.340 176.760 175.510 -0.151 0.000 1.154 42 N CA 0.674 53.683 53.050 -0.068 0.000 0.907 42 N CB -0.048 38.393 38.487 -0.077 0.000 0.977 42 N HN 0.199 nan 8.380 nan 0.000 0.449 43 K N -0.587 119.635 120.400 -0.296 0.000 2.404 43 K HA 0.248 4.568 4.320 -0.001 0.000 0.194 43 K C -0.824 175.240 176.600 -0.894 0.000 1.023 43 K CA 0.167 56.070 56.287 -0.639 0.000 1.094 43 K CB 0.088 32.043 32.500 -0.909 0.000 0.841 43 K HN 0.164 nan 8.250 nan 0.000 0.523 44 F N 0.822 120.773 119.950 0.001 0.000 2.536 44 F HA 0.387 4.914 4.527 -0.001 0.000 0.322 44 F C 0.259 176.078 175.800 0.032 0.000 1.144 44 F CA -1.384 56.636 58.000 0.033 0.000 0.924 44 F CB 1.134 40.130 39.000 -0.006 0.000 1.181 44 F HN -0.379 nan 8.300 nan 0.000 0.438 45 R N 2.458 123.081 120.500 0.205 0.000 2.537 45 R HA 0.176 4.515 4.340 -0.001 0.000 0.280 45 R C -0.600 175.793 176.300 0.155 0.000 1.058 45 R CA 0.018 56.205 56.100 0.145 0.000 1.057 45 R CB 0.318 30.721 30.300 0.172 0.000 0.973 45 R HN 0.613 nan 8.270 nan 0.000 0.438 46 N N 4.491 123.250 118.700 0.099 0.000 2.524 46 N HA 0.251 4.990 4.740 -0.001 0.000 0.261 46 N C -2.413 173.138 175.510 0.068 0.000 0.998 46 N CA -1.340 51.757 53.050 0.079 0.000 0.915 46 N CB 2.114 40.615 38.487 0.024 0.000 1.187 46 N HN 0.251 nan 8.380 nan 0.000 0.507 47 P HA 0.052 nan 4.420 nan 0.000 0.271 47 P C -0.200 177.115 177.300 0.024 0.000 1.216 47 P CA -0.023 63.107 63.100 0.050 0.000 0.771 47 P CB 0.548 32.290 31.700 0.070 0.000 0.864 48 T N -0.392 114.161 114.554 -0.001 0.000 2.797 48 T HA 0.549 4.898 4.350 -0.001 0.000 0.279 48 T C -0.392 174.297 174.700 -0.019 0.000 0.991 48 T CA -0.729 61.368 62.100 -0.005 0.000 0.979 48 T CB 0.953 69.817 68.868 -0.007 0.000 0.943 48 T HN 0.141 nan 8.240 nan 0.000 0.444 49 V N 2.545 122.454 119.914 -0.008 0.000 2.525 49 V HA 0.710 4.829 4.120 -0.001 0.000 0.299 49 V C 0.593 176.685 176.094 -0.003 0.000 1.034 49 V CA -1.145 61.147 62.300 -0.014 0.000 0.863 49 V CB 1.300 33.124 31.823 0.001 0.000 0.999 49 V HN 1.325 nan 8.190 nan 0.000 0.423 50 A N 7.396 130.210 122.820 -0.009 0.000 2.425 50 A HA 0.693 5.012 4.320 -0.001 0.000 0.242 50 A C -1.817 175.773 177.584 0.009 0.000 1.077 50 A CA -0.811 51.229 52.037 0.006 0.000 0.781 50 A CB -0.167 18.835 19.000 0.004 0.000 1.020 50 A HN 0.687 nan 8.150 nan 0.000 0.494 51 P HA 0.207 nan 4.420 nan 0.000 0.274 51 P C 0.333 177.638 177.300 0.009 0.000 1.231 51 P CA 0.081 63.193 63.100 0.021 0.000 0.790 51 P CB 0.873 32.604 31.700 0.052 0.000 0.951 52 T N -3.315 111.210 114.554 -0.049 0.000 3.044 52 T HA 0.166 4.516 4.350 -0.001 0.000 0.260 52 T C 0.370 175.068 174.700 -0.003 0.000 1.019 52 T CA 0.183 62.229 62.100 -0.090 0.000 0.921 52 T CB -0.270 68.455 68.868 -0.238 0.000 1.053 52 T HN 0.394 nan 8.240 nan 0.000 0.533 53 H N 0.754 119.854 119.070 0.050 0.000 2.851 53 H HA 0.475 5.030 4.556 -0.001 0.000 0.372 53 H C -0.360 175.003 175.328 0.058 0.000 1.158 53 H CA -0.961 55.116 56.048 0.048 0.000 1.159 53 H CB 1.698 31.487 29.762 0.044 0.000 1.757 53 H HN -0.058 nan 8.280 nan 0.000 0.546 54 D N 0.760 121.269 120.400 0.181 0.000 2.911 54 D HA -0.155 4.484 4.640 -0.001 0.000 0.199 54 D C 1.158 177.547 176.300 0.148 0.000 1.041 54 D CA 1.191 55.269 54.000 0.130 0.000 1.013 54 D CB -1.068 39.803 40.800 0.118 0.000 1.093 54 D HN 0.279 nan 8.370 nan 0.000 0.431 55 V N -0.886 119.128 119.914 0.166 0.000 2.627 55 V HA 0.116 4.235 4.120 -0.001 0.000 0.239 55 V C 1.171 177.418 176.094 0.255 0.000 1.077 55 V CA 1.496 63.929 62.300 0.223 0.000 1.103 55 V CB 0.434 32.380 31.823 0.205 0.000 0.802 55 V HN 0.105 nan 8.190 nan 0.000 0.482 56 T N 0.270 114.906 114.554 0.137 0.000 2.888 56 T HA 0.402 4.751 4.350 -0.001 0.000 0.284 56 T C -0.202 174.520 174.700 0.035 0.000 1.017 56 T CA -0.053 62.078 62.100 0.052 0.000 1.022 56 T CB 1.936 70.791 68.868 -0.022 0.000 1.013 56 T HN 0.313 nan 8.240 nan 0.000 0.465 57 T N 1.155 115.710 114.554 0.000 0.000 2.910 57 T HA 0.157 4.506 4.350 -0.001 0.000 0.293 57 T C 0.894 175.541 174.700 -0.088 0.000 1.015 57 T CA -0.707 61.340 62.100 -0.088 0.000 1.094 57 T CB 0.326 69.073 68.868 -0.202 0.000 0.968 57 T HN 0.663 nan 8.240 nan 0.000 0.521 58 D N 3.310 123.648 120.400 -0.103 0.000 2.349 58 D HA 0.008 4.648 4.640 -0.001 0.000 0.215 58 D C 0.651 176.901 176.300 -0.084 0.000 1.016 58 D CA 0.139 54.098 54.000 -0.067 0.000 0.870 58 D CB 0.100 40.875 40.800 -0.042 0.000 0.917 58 D HN 0.475 nan 8.370 nan 0.000 0.524 59 R N 0.803 121.211 120.500 -0.153 0.000 2.577 59 R HA 0.314 4.654 4.340 -0.001 0.000 0.269 59 R C 0.493 176.756 176.300 -0.063 0.000 1.084 59 R CA -0.507 55.525 56.100 -0.113 0.000 1.163 59 R CB 0.556 30.761 30.300 -0.158 0.000 1.100 59 R HN -0.009 nan 8.270 nan 0.000 0.547 60 S N 0.998 116.680 115.700 -0.030 0.000 2.533 60 S HA 0.002 4.471 4.470 -0.001 0.000 0.282 60 S C -0.259 174.341 174.600 -0.001 0.000 1.304 60 S CA -0.101 58.090 58.200 -0.014 0.000 1.063 60 S CB 0.427 63.622 63.200 -0.009 0.000 0.881 60 S HN 0.577 nan 8.310 nan 0.000 0.493 61 Q N 3.269 123.068 119.800 -0.001 0.000 2.507 61 Q HA 0.221 4.560 4.340 -0.001 0.000 0.248 61 Q C -1.323 174.675 176.000 -0.003 0.000 0.941 61 Q CA -0.764 55.042 55.803 0.005 0.000 1.003 61 Q CB 0.857 29.622 28.738 0.045 0.000 1.517 61 Q HN 0.709 nan 8.270 nan 0.000 0.443 62 R N 3.266 123.752 120.500 -0.023 0.000 2.590 62 R HA 0.186 4.525 4.340 -0.001 0.000 0.274 62 R C 0.856 177.182 176.300 0.044 0.000 1.061 62 R CA 0.185 56.283 56.100 -0.005 0.000 1.081 62 R CB 0.512 30.792 30.300 -0.033 0.000 0.984 62 R HN 0.748 nan 8.270 nan 0.000 0.448 63 L N 0.650 121.924 121.223 0.085 0.000 2.127 63 L HA 0.019 4.358 4.340 -0.001 0.000 0.203 63 L C 0.651 177.672 176.870 0.253 0.000 1.080 63 L CA 1.167 56.099 54.840 0.153 0.000 0.768 63 L CB -0.003 42.119 42.059 0.104 0.000 0.924 63 L HN 0.490 nan 8.230 nan 0.000 0.444 64 T N 1.343 116.015 114.554 0.197 0.000 2.812 64 T HA 0.533 4.882 4.350 -0.001 0.000 0.282 64 T C -0.462 174.328 174.700 0.150 0.000 0.990 64 T CA -0.370 61.869 62.100 0.232 0.000 0.960 64 T CB 2.179 71.182 68.868 0.224 0.000 0.948 64 T HN -0.083 nan 8.240 nan 0.000 0.438 65 L N 2.755 124.067 121.223 0.149 0.000 2.331 65 L HA 0.635 4.974 4.340 -0.001 0.000 0.275 65 L C 0.330 176.970 176.870 -0.383 0.000 1.022 65 L CA -0.984 53.761 54.840 -0.158 0.000 0.812 65 L CB 1.878 43.824 42.059 -0.188 0.000 1.257 65 L HN 0.400 nan 8.230 nan 0.000 0.435 66 R N 2.551 122.675 120.500 -0.628 0.000 2.320 66 R HA 0.426 4.765 4.340 -0.001 0.000 0.319 66 R C -1.650 174.248 176.300 -0.670 0.000 0.969 66 R CA -0.482 55.119 56.100 -0.832 0.000 0.857 66 R CB 0.756 30.611 30.300 -0.743 0.000 1.160 66 R HN 0.333 nan 8.270 nan 0.000 0.491 67 F N 4.648 124.427 119.950 -0.284 0.000 2.410 67 F HA 0.222 4.748 4.527 -0.002 0.000 0.349 67 F C 0.722 176.553 175.800 0.051 0.000 1.117 67 F CA -0.676 57.282 58.000 -0.070 0.000 1.104 67 F CB 1.658 40.637 39.000 -0.034 0.000 1.122 67 F HN 0.196 nan 8.300 nan 0.000 0.483 68 V N 1.924 122.001 119.914 0.271 0.000 2.743 68 V HA 0.608 4.727 4.120 -0.001 0.000 0.301 68 V C -2.568 173.741 176.094 0.359 0.000 1.057 68 V CA -2.802 59.669 62.300 0.286 0.000 1.006 68 V CB 0.902 32.801 31.823 0.127 0.000 1.024 68 V HN 0.457 nan 8.190 nan 0.000 0.473 69 P HA 0.095 nan 4.420 nan 0.000 0.264 69 P C 0.890 178.167 177.300 -0.038 0.000 1.183 69 P CA 0.287 63.285 63.100 -0.170 0.000 0.763 69 P CB 0.685 32.256 31.700 -0.215 0.000 0.807 70 V N -1.253 118.626 119.914 -0.058 0.000 3.129 70 V HA 0.162 4.281 4.120 -0.001 0.000 0.259 70 V C 0.488 176.550 176.094 -0.053 0.000 1.116 70 V CA 1.215 63.508 62.300 -0.012 0.000 1.127 70 V CB -0.478 31.358 31.823 0.022 0.000 0.742 70 V HN 0.366 nan 8.190 nan 0.000 0.474 71 D N -0.042 120.290 120.400 -0.112 0.000 2.654 71 D HA 0.587 5.226 4.640 -0.001 0.000 0.231 71 D C -0.945 175.257 176.300 -0.163 0.000 1.239 71 D CA -0.469 53.463 54.000 -0.114 0.000 0.790 71 D CB 2.768 43.508 40.800 -0.100 0.000 1.480 71 D HN 0.593 nan 8.370 nan 0.000 0.442 72 R N 0.226 120.628 120.500 -0.163 0.000 2.643 72 R HA 0.708 5.047 4.340 -0.001 0.000 0.269 72 R C -1.368 174.767 176.300 -0.276 0.000 1.037 72 R CA -0.923 55.031 56.100 -0.243 0.000 0.894 72 R CB 1.731 31.892 30.300 -0.232 0.000 1.238 72 R HN 0.155 nan 8.270 nan 0.000 0.459 73 E N 1.306 121.280 120.200 -0.377 0.000 2.244 73 E HA 0.162 4.512 4.350 -0.001 0.000 0.260 73 E C -1.501 174.809 176.600 -0.482 0.000 0.884 73 E CA -0.790 55.412 56.400 -0.330 0.000 0.777 73 E CB 1.628 31.189 29.700 -0.232 0.000 1.197 73 E HN 0.580 nan 8.360 nan 0.000 0.416 74 D N 3.952 124.115 120.400 -0.395 0.000 2.467 74 D HA 0.204 4.843 4.640 -0.001 0.000 0.220 74 D C -0.770 175.453 176.300 -0.130 0.000 1.103 74 D CA -0.261 53.573 54.000 -0.276 0.000 0.886 74 D CB 0.290 41.036 40.800 -0.090 0.000 1.025 74 D HN 0.355 nan 8.370 nan 0.000 0.514 75 N N 1.351 119.972 118.700 -0.130 0.000 2.604 75 N HA 0.203 4.942 4.740 -0.001 0.000 0.297 75 N C 1.228 176.613 175.510 -0.209 0.000 1.266 75 N CA -0.496 52.429 53.050 -0.209 0.000 0.961 75 N CB 0.446 38.723 38.487 -0.350 0.000 1.166 75 N HN 0.166 nan 8.380 nan 0.000 0.601 76 T N 0.250 114.612 114.554 -0.321 0.000 2.684 76 T HA -0.177 4.172 4.350 -0.001 0.000 0.267 76 T C 1.133 175.699 174.700 -0.224 0.000 1.036 76 T CA 1.846 63.793 62.100 -0.255 0.000 1.148 76 T CB -0.351 68.380 68.868 -0.229 0.000 0.863 76 T HN 0.691 nan 8.240 nan 0.000 0.436 77 Y N 0.569 120.831 120.300 -0.064 0.000 2.500 77 Y HA 0.641 5.191 4.550 -0.001 0.000 0.246 77 Y C 0.475 176.476 175.900 0.167 0.000 1.146 77 Y CA -1.115 56.954 58.100 -0.053 0.000 1.230 77 Y CB -0.132 38.180 38.460 -0.247 0.000 1.214 77 Y HN 0.172 nan 8.280 nan 0.000 0.526 78 S N -0.804 114.945 115.700 0.083 0.000 2.638 78 S HA 0.613 5.082 4.470 -0.001 0.000 0.274 78 S C -1.939 172.838 174.600 0.295 0.000 1.157 78 S CA -0.763 57.638 58.200 0.334 0.000 0.826 78 S CB 2.179 65.591 63.200 0.354 0.000 1.139 78 S HN 0.277 nan 8.310 nan 0.000 0.474 79 Y N 0.646 121.113 120.300 0.278 0.000 2.331 79 Y HA 0.548 5.097 4.550 -0.001 0.000 0.326 79 Y C -1.032 174.975 175.900 0.179 0.000 1.020 79 Y CA -0.489 57.737 58.100 0.211 0.000 1.136 79 Y CB 1.362 40.031 38.460 0.348 0.000 1.157 79 Y HN 0.769 nan 8.280 nan 0.000 0.444 80 K N 6.010 126.362 120.400 -0.081 0.000 2.213 80 K HA 0.638 4.957 4.320 -0.001 0.000 0.270 80 K C -1.113 175.419 176.600 -0.114 0.000 1.002 80 K CA -0.954 55.305 56.287 -0.047 0.000 0.868 80 K CB 1.924 34.341 32.500 -0.138 0.000 1.093 80 K HN 0.417 nan 8.250 nan 0.000 0.454 81 V N -0.004 119.913 119.914 0.005 0.000 2.769 81 V HA 0.640 4.760 4.120 -0.001 0.000 0.312 81 V C -0.631 175.325 176.094 -0.229 0.000 1.061 81 V CA -1.134 61.084 62.300 -0.137 0.000 0.931 81 V CB 1.809 33.574 31.823 -0.098 0.000 1.010 81 V HN 0.843 nan 8.190 nan 0.000 0.433 82 R N 2.122 122.389 120.500 -0.389 0.000 2.532 82 R HA 0.624 4.964 4.340 -0.001 0.000 0.297 82 R C -2.019 174.018 176.300 -0.438 0.000 0.984 82 R CA -0.509 55.432 56.100 -0.264 0.000 0.884 82 R CB 1.912 32.137 30.300 -0.125 0.000 1.182 82 R HN 0.861 nan 8.270 nan 0.000 0.442 83 Y N 0.571 120.949 120.300 0.131 0.000 2.587 83 Y HA 0.383 4.933 4.550 -0.001 0.000 0.337 83 Y C 0.236 176.198 175.900 0.104 0.000 1.065 83 Y CA -0.912 57.267 58.100 0.132 0.000 1.126 83 Y CB 2.528 41.080 38.460 0.153 0.000 1.279 83 Y HN 0.384 nan 8.280 nan 0.000 0.489 84 T N 3.544 118.240 114.554 0.237 0.000 2.929 84 T HA 0.210 4.559 4.350 -0.001 0.000 0.331 84 T C -0.843 173.808 174.700 -0.083 0.000 1.120 84 T CA -0.443 61.729 62.100 0.120 0.000 0.973 84 T CB -0.162 68.773 68.868 0.112 0.000 1.036 84 T HN 0.299 nan 8.240 nan 0.000 0.502 85 L N 4.676 125.812 121.223 -0.145 0.000 2.433 85 L HA 0.555 4.894 4.340 -0.001 0.000 0.284 85 L C 0.250 177.041 176.870 -0.132 0.000 1.120 85 L CA -0.324 54.230 54.840 -0.475 0.000 0.879 85 L CB -0.739 41.204 42.059 -0.194 0.000 1.232 85 L HN 0.613 nan 8.230 nan 0.000 0.454 86 A N 5.518 128.259 122.820 -0.132 0.000 2.252 86 A HA 0.630 4.949 4.320 -0.001 0.000 0.309 86 A C -0.617 177.139 177.584 0.287 0.000 1.285 86 A CA -0.552 51.584 52.037 0.166 0.000 0.900 86 A CB 0.584 19.740 19.000 0.260 0.000 1.157 86 A HN 0.474 nan 8.150 nan 0.000 0.536 87 V N 3.807 123.888 119.914 0.279 0.000 2.311 87 V HA 0.482 4.601 4.120 -0.001 0.000 0.275 87 V C 1.177 177.355 176.094 0.139 0.000 1.022 87 V CA -0.167 62.312 62.300 0.298 0.000 0.830 87 V CB 0.742 32.786 31.823 0.369 0.000 1.012 87 V HN 1.071 nan 8.190 nan 0.000 0.452 88 G N 3.118 111.938 108.800 0.033 0.000 2.684 88 G HA2 0.170 4.129 3.960 -0.001 0.000 0.255 88 G HA3 0.170 4.129 3.960 -0.001 0.000 0.255 88 G C -0.150 174.737 174.900 -0.022 0.000 1.219 88 G CA -0.410 44.679 45.100 -0.017 0.000 0.901 88 G HN 0.611 nan 8.290 nan 0.000 0.548 89 D N 0.244 120.615 120.400 -0.048 0.000 2.378 89 D HA 0.006 4.645 4.640 -0.001 0.000 0.238 89 D C 0.734 176.935 176.300 -0.165 0.000 1.180 89 D CA 0.445 54.404 54.000 -0.069 0.000 0.895 89 D CB 0.345 41.110 40.800 -0.057 0.000 1.192 89 D HN 0.474 nan 8.370 nan 0.000 0.438 90 N N 0.742 119.352 118.700 -0.151 0.000 2.735 90 N HA -0.228 4.512 4.740 -0.001 0.000 0.248 90 N C -0.121 175.285 175.510 -0.173 0.000 1.083 90 N CA 0.803 53.706 53.050 -0.245 0.000 0.703 90 N CB -0.749 37.342 38.487 -0.661 0.000 1.005 90 N HN 0.627 nan 8.380 nan 0.000 0.550 91 R N -2.163 118.325 120.500 -0.020 0.000 2.766 91 R HA 0.730 5.070 4.340 -0.001 0.000 0.270 91 R C -0.896 175.503 176.300 0.166 0.000 1.035 91 R CA -0.758 55.409 56.100 0.112 0.000 0.911 91 R CB 1.542 31.928 30.300 0.143 0.000 1.243 91 R HN -0.031 nan 8.270 nan 0.000 0.460 92 V N -1.457 118.595 119.914 0.230 0.000 3.040 92 V HA 0.764 4.883 4.120 -0.001 0.000 0.312 92 V C -1.363 174.845 176.094 0.190 0.000 1.115 92 V CA -1.112 61.293 62.300 0.174 0.000 0.998 92 V CB 1.900 33.774 31.823 0.085 0.000 1.042 92 V HN 0.722 nan 8.190 nan 0.000 0.433 93 L N 2.243 123.493 121.223 0.045 0.000 2.349 93 L HA 0.665 5.004 4.340 -0.001 0.000 0.278 93 L C -0.626 176.149 176.870 -0.159 0.000 0.996 93 L CA 0.026 54.757 54.840 -0.183 0.000 0.825 93 L CB 1.365 43.261 42.059 -0.272 0.000 1.243 93 L HN 0.941 nan 8.230 nan 0.000 0.412 94 D N 5.331 125.642 120.400 -0.147 0.000 2.325 94 D HA 0.103 4.742 4.640 -0.001 0.000 0.251 94 D C 1.093 177.306 176.300 -0.146 0.000 1.196 94 D CA -0.267 53.671 54.000 -0.102 0.000 0.866 94 D CB 1.077 41.851 40.800 -0.044 0.000 1.101 94 D HN 0.574 nan 8.370 nan 0.000 0.476 95 M N 3.020 122.519 119.600 -0.168 0.000 2.446 95 M HA -0.110 4.369 4.480 -0.001 0.000 0.263 95 M C 1.829 178.046 176.300 -0.138 0.000 1.066 95 M CA 0.498 55.678 55.300 -0.201 0.000 1.087 95 M CB -0.992 31.456 32.600 -0.254 0.000 1.406 95 M HN 0.487 nan 8.290 nan 0.000 0.459 96 A N 0.251 123.017 122.820 -0.090 0.000 2.070 96 A HA -0.090 4.230 4.320 -0.001 0.000 0.220 96 A C 2.281 179.882 177.584 0.028 0.000 1.159 96 A CA 1.779 53.793 52.037 -0.039 0.000 0.656 96 A CB -0.653 18.343 19.000 -0.006 0.000 0.800 96 A HN 0.590 nan 8.150 nan 0.000 0.453 97 S N -0.369 115.340 115.700 0.015 0.000 2.603 97 S HA 0.062 4.531 4.470 -0.001 0.000 0.220 97 S C 0.874 175.554 174.600 0.132 0.000 0.967 97 S CA 0.602 58.860 58.200 0.097 0.000 0.920 97 S CB -0.981 62.236 63.200 0.029 0.000 0.773 97 S HN 0.664 nan 8.310 nan 0.000 0.529 98 T N -0.069 114.501 114.554 0.027 0.000 2.934 98 T HA 0.703 5.053 4.350 -0.001 0.000 0.283 98 T C -0.616 174.107 174.700 0.039 0.000 1.005 98 T CA -0.757 61.295 62.100 -0.079 0.000 1.041 98 T CB 1.030 69.783 68.868 -0.192 0.000 1.042 98 T HN 0.634 nan 8.240 nan 0.000 0.505 99 Y N -1.612 118.611 120.300 -0.127 0.000 2.741 99 Y HA 0.660 5.209 4.550 -0.001 0.000 0.339 99 Y C -1.880 173.850 175.900 -0.283 0.000 1.226 99 Y CA -2.378 55.635 58.100 -0.146 0.000 1.072 99 Y CB 0.669 39.267 38.460 0.230 0.000 1.331 99 Y HN 0.581 nan 8.280 nan 0.000 0.453 100 F N 1.416 121.548 119.950 0.304 0.000 2.405 100 F HA 0.356 4.882 4.527 -0.002 0.000 0.355 100 F C -0.140 175.805 175.800 0.242 0.000 1.121 100 F CA -0.224 57.891 58.000 0.192 0.000 1.112 100 F CB 1.174 40.306 39.000 0.219 0.000 1.126 100 F HN 0.536 nan 8.300 nan 0.000 0.481 101 D N 4.811 125.444 120.400 0.389 0.000 2.359 101 D HA 0.429 5.068 4.640 -0.001 0.000 0.230 101 D C -0.701 175.724 176.300 0.208 0.000 1.118 101 D CA -0.076 54.136 54.000 0.353 0.000 0.844 101 D CB 0.620 41.711 40.800 0.485 0.000 1.059 101 D HN 0.320 nan 8.370 nan 0.000 0.493 102 I N 3.880 124.518 120.570 0.113 0.000 2.378 102 I HA 0.447 4.617 4.170 -0.001 0.000 0.291 102 I C 0.337 176.472 176.117 0.030 0.000 0.992 102 I CA -0.867 60.419 61.300 -0.024 0.000 1.154 102 I CB 1.620 39.541 38.000 -0.131 0.000 1.315 102 I HN 0.170 nan 8.210 nan 0.000 0.448 103 R N 3.564 123.965 120.500 -0.166 0.000 2.740 103 R HA 0.851 5.191 4.340 -0.001 0.000 0.282 103 R C -0.237 175.692 176.300 -0.620 0.000 0.969 103 R CA -0.690 55.164 56.100 -0.410 0.000 0.918 103 R CB 2.499 32.586 30.300 -0.354 0.000 1.175 103 R HN 0.888 nan 8.270 nan 0.000 0.464 104 G N 0.277 108.384 108.800 -1.155 0.000 2.490 104 G HA2 0.377 4.336 3.960 -0.001 0.000 0.308 104 G HA3 0.377 4.336 3.960 -0.001 0.000 0.308 104 G C -1.828 172.689 174.900 -0.638 0.000 1.286 104 G CA -0.474 44.132 45.100 -0.822 0.000 0.825 104 G HN 0.325 nan 8.290 nan 0.000 0.479 105 V N 0.652 120.489 119.914 -0.128 0.000 2.444 105 V HA 0.644 4.764 4.120 -0.001 0.000 0.294 105 V C -0.719 175.540 176.094 0.275 0.000 1.022 105 V CA -0.614 61.732 62.300 0.076 0.000 0.850 105 V CB 1.228 33.061 31.823 0.017 0.000 0.992 105 V HN 0.789 nan 8.190 nan 0.000 0.426 106 L N 4.122 125.556 121.223 0.352 0.000 2.329 106 L HA 0.768 5.107 4.340 -0.001 0.000 0.279 106 L C -0.760 176.162 176.870 0.086 0.000 1.014 106 L CA 0.119 55.071 54.840 0.186 0.000 0.814 106 L CB 1.782 43.891 42.059 0.083 0.000 1.257 106 L HN 0.661 nan 8.230 nan 0.000 0.424 107 D N 3.014 123.428 120.400 0.024 0.000 2.440 107 D HA 0.333 4.972 4.640 -0.001 0.000 0.239 107 D C 0.554 176.771 176.300 -0.137 0.000 1.084 107 D CA -0.318 53.686 54.000 0.007 0.000 0.843 107 D CB 1.398 42.262 40.800 0.107 0.000 1.097 107 D HN 0.576 nan 8.370 nan 0.000 0.531 108 R N 1.945 122.286 120.500 -0.266 0.000 2.307 108 R HA 0.320 4.660 4.340 -0.001 0.000 0.199 108 R C 1.224 177.410 176.300 -0.190 0.000 1.000 108 R CA 0.555 56.460 56.100 -0.324 0.000 1.023 108 R CB -0.028 29.887 30.300 -0.642 0.000 0.908 108 R HN 0.663 nan 8.270 nan 0.000 0.473 109 G N 0.450 109.150 108.800 -0.167 0.000 2.795 109 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.664 109 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.664 109 G C -2.054 172.772 174.900 -0.123 0.000 1.381 109 G CA -0.501 44.531 45.100 -0.114 0.000 0.853 109 G HN 0.018 nan 8.290 nan 0.000 0.545 110 P HA 0.008 nan 4.420 nan 0.000 0.237 110 P C 1.586 178.718 177.300 -0.280 0.000 1.178 110 P CA 1.718 64.725 63.100 -0.155 0.000 0.766 110 P CB -0.017 31.620 31.700 -0.105 0.000 0.876 111 S N -1.551 113.964 115.700 -0.309 0.000 2.593 111 S HA 0.018 4.487 4.470 -0.001 0.000 0.217 111 S C 0.464 174.781 174.600 -0.473 0.000 0.966 111 S CA -0.617 57.214 58.200 -0.615 0.000 0.914 111 S CB -1.153 61.815 63.200 -0.387 0.000 0.776 111 S HN -0.011 nan 8.310 nan 0.000 0.523 112 F N 3.262 122.980 119.950 -0.388 0.000 2.506 112 F HA 0.507 5.033 4.527 -0.001 0.000 0.371 112 F C 0.122 175.712 175.800 -0.351 0.000 1.078 112 F CA -0.703 57.112 58.000 -0.308 0.000 1.195 112 F CB 0.507 39.367 39.000 -0.234 0.000 1.099 112 F HN 0.078 nan 8.300 nan 0.000 0.548 113 K N 9.091 128.970 120.400 -0.867 0.000 2.723 113 K HA 0.353 4.672 4.320 -0.001 0.000 0.229 113 K C -2.685 173.268 176.600 -1.079 0.000 1.022 113 K CA -1.723 53.961 56.287 -1.004 0.000 1.045 113 K CB 1.400 33.446 32.500 -0.756 0.000 1.227 113 K HN 0.295 nan 8.250 nan 0.000 0.516 114 P HA 0.053 nan 4.420 nan 0.000 0.246 114 P C -1.492 175.677 177.300 -0.219 0.000 1.686 114 P CA 0.065 62.782 63.100 -0.640 0.000 0.867 114 P CB -0.705 30.906 31.700 -0.148 0.000 1.733 115 Y N -4.923 115.119 120.300 -0.429 0.000 2.702 115 Y HA 0.567 5.116 4.550 -0.001 0.000 0.336 115 Y C -0.872 174.906 175.900 -0.203 0.000 1.203 115 Y CA -1.355 56.630 58.100 -0.192 0.000 1.072 115 Y CB -0.045 38.343 38.460 -0.120 0.000 1.327 115 Y HN -0.355 nan 8.280 nan 0.000 0.456 116 S N 1.007 116.744 115.700 0.062 0.000 2.617 116 S HA 0.772 5.242 4.470 -0.001 0.000 0.283 116 S C 0.383 175.074 174.600 0.151 0.000 1.189 116 S CA 0.183 58.371 58.200 -0.020 0.000 1.036 116 S CB 0.995 64.165 63.200 -0.049 0.000 1.014 116 S HN 1.756 nan 8.310 nan 0.000 0.522 117 G N 1.128 109.995 108.800 0.111 0.000 2.632 117 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.224 117 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.224 117 G C -0.240 174.787 174.900 0.211 0.000 1.341 117 G CA -0.127 45.084 45.100 0.186 0.000 0.880 117 G HN 0.924 nan 8.290 nan 0.000 0.566 118 T N -1.193 113.411 114.554 0.085 0.000 2.924 118 T HA 0.736 5.085 4.350 -0.001 0.000 0.291 118 T C 1.217 175.767 174.700 -0.250 0.000 1.045 118 T CA 0.733 62.803 62.100 -0.051 0.000 1.015 118 T CB 1.495 70.133 68.868 -0.383 0.000 1.103 118 T HN 2.017 nan 8.240 nan 0.000 0.496 119 A N 2.436 124.948 122.820 -0.513 0.000 2.218 119 A HA 0.326 4.646 4.320 -0.001 0.000 0.209 119 A C -0.315 176.698 177.584 -0.952 0.000 1.168 119 A CA 0.373 51.874 52.037 -0.893 0.000 0.804 119 A CB -0.289 17.961 19.000 -1.251 0.000 0.834 119 A HN 0.766 nan 8.150 nan 0.000 0.482 120 Y N -0.052 120.159 120.300 -0.147 0.000 2.338 120 Y HA 0.350 4.899 4.550 -0.001 0.000 0.328 120 Y C 0.098 175.902 175.900 -0.160 0.000 0.965 120 Y CA -1.073 56.970 58.100 -0.093 0.000 1.208 120 Y CB 0.797 39.249 38.460 -0.014 0.000 1.132 120 Y HN 0.242 nan 8.280 nan 0.000 0.469 121 N N 0.608 119.335 118.700 0.044 0.000 2.738 121 N HA -0.219 4.520 4.740 -0.001 0.000 0.249 121 N C 1.073 176.574 175.510 -0.015 0.000 1.047 121 N CA 1.160 54.233 53.050 0.038 0.000 0.707 121 N CB -1.059 37.476 38.487 0.080 0.000 0.937 121 N HN 0.810 nan 8.380 nan 0.000 0.545 122 S N -1.229 114.437 115.700 -0.056 0.000 2.442 122 S HA -0.072 4.397 4.470 -0.001 0.000 0.236 122 S C 1.695 176.438 174.600 0.237 0.000 1.007 122 S CA 0.636 58.846 58.200 0.016 0.000 0.965 122 S CB -0.067 63.137 63.200 0.007 0.000 0.773 122 S HN 0.523 nan 8.310 nan 0.000 0.504 123 L N 1.123 122.438 121.223 0.154 0.000 2.554 123 L HA 0.294 4.634 4.340 -0.001 0.000 0.226 123 L C 1.409 178.375 176.870 0.161 0.000 1.137 123 L CA 0.048 54.974 54.840 0.144 0.000 0.863 123 L CB -0.729 41.387 42.059 0.095 0.000 0.985 123 L HN 0.331 nan 8.230 nan 0.000 0.451 124 A N 1.042 123.991 122.820 0.215 0.000 2.488 124 A HA 0.325 4.645 4.320 -0.001 0.000 0.249 124 A C -2.102 175.576 177.584 0.158 0.000 1.083 124 A CA -1.031 51.119 52.037 0.189 0.000 0.768 124 A CB -0.488 18.641 19.000 0.215 0.000 1.017 124 A HN -0.029 nan 8.150 nan 0.000 0.496 125 P HA 0.001 nan 4.420 nan 0.000 0.265 125 P C 0.408 177.703 177.300 -0.008 0.000 1.187 125 P CA 0.162 63.273 63.100 0.018 0.000 0.766 125 P CB 0.453 32.166 31.700 0.023 0.000 0.820 126 K N 1.703 122.036 120.400 -0.112 0.000 2.432 126 K HA 0.024 4.343 4.320 -0.001 0.000 0.196 126 K C 1.576 178.132 176.600 -0.074 0.000 1.038 126 K CA 1.026 57.199 56.287 -0.190 0.000 0.986 126 K CB -0.162 32.103 32.500 -0.392 0.000 0.782 126 K HN 0.594 nan 8.250 nan 0.000 0.485 127 G N 0.654 109.428 108.800 -0.044 0.000 3.324 127 G HA2 0.247 4.206 3.960 -0.001 0.000 0.251 127 G HA3 0.247 4.206 3.960 -0.001 0.000 0.251 127 G C 0.088 174.982 174.900 -0.010 0.000 1.072 127 G CA -0.236 44.849 45.100 -0.025 0.000 0.787 127 G HN 0.191 nan 8.290 nan 0.000 0.537 128 A N 1.689 124.521 122.820 0.020 0.000 2.363 128 A HA 0.691 5.010 4.320 -0.001 0.000 0.270 128 A C -2.021 175.598 177.584 0.057 0.000 1.121 128 A CA -1.144 50.918 52.037 0.042 0.000 0.800 128 A CB 0.884 19.927 19.000 0.072 0.000 1.052 128 A HN 0.180 nan 8.150 nan 0.000 0.493 129 P HA 0.165 nan 4.420 nan 0.000 0.278 129 P C -0.598 176.771 177.300 0.114 0.000 1.266 129 P CA -0.717 62.425 63.100 0.071 0.000 0.807 129 P CB 0.678 32.410 31.700 0.053 0.000 1.094 130 N N -0.361 118.403 118.700 0.107 0.000 2.399 130 N HA 0.075 4.814 4.740 -0.001 0.000 0.250 130 N C 0.009 175.605 175.510 0.143 0.000 1.272 130 N CA 0.315 53.430 53.050 0.109 0.000 0.928 130 N CB -0.176 38.363 38.487 0.087 0.000 1.158 130 N HN 0.327 nan 8.380 nan 0.000 0.463 131 T N 1.249 115.875 114.554 0.119 0.000 2.793 131 T HA 0.253 4.602 4.350 -0.001 0.000 0.289 131 T C 0.520 175.302 174.700 0.137 0.000 0.956 131 T CA -0.182 61.991 62.100 0.121 0.000 1.177 131 T CB -0.893 68.012 68.868 0.063 0.000 0.897 131 T HN 0.634 nan 8.240 nan 0.000 0.533 132 C N 2.910 122.329 119.300 0.199 0.000 3.320 132 C HA 0.769 5.229 4.460 -0.001 0.000 0.335 132 C C -1.330 173.844 174.990 0.308 0.000 1.430 132 C CA -1.136 58.013 59.018 0.219 0.000 1.271 132 C CB 1.412 29.278 27.740 0.211 0.000 1.609 132 C HN 0.773 nan 8.230 nan 0.000 0.457 133 Q N -0.362 119.619 119.800 0.302 0.000 2.528 133 Q HA 0.789 5.128 4.340 -0.001 0.000 0.289 133 Q C -1.602 174.664 176.000 0.444 0.000 1.091 133 Q CA -0.246 55.718 55.803 0.269 0.000 0.797 133 Q CB 2.928 31.736 28.738 0.117 0.000 1.466 133 Q HN 0.921 nan 8.270 nan 0.000 0.436 134 W N -0.894 120.498 121.300 0.154 0.000 3.066 134 W HA 0.653 5.313 4.660 -0.001 0.000 0.330 134 W C -1.386 175.249 176.519 0.195 0.000 1.253 134 W CA -0.894 56.525 57.345 0.122 0.000 1.187 134 W CB 0.422 29.914 29.460 0.053 0.000 1.434 134 W HN 0.611 nan 8.180 nan 0.000 0.572 135 T N -0.498 114.236 114.554 0.300 0.000 2.932 135 T HA 0.750 5.099 4.350 -0.001 0.000 0.289 135 T C -1.768 173.160 174.700 0.380 0.000 1.039 135 T CA -0.644 61.606 62.100 0.250 0.000 1.024 135 T CB 2.408 71.380 68.868 0.173 0.000 1.090 135 T HN 1.131 nan 8.240 nan 0.000 0.496 136 Y N -0.667 119.746 120.300 0.187 0.000 2.480 136 Y HA 0.539 5.088 4.550 -0.001 0.000 0.329 136 Y C -1.254 174.743 175.900 0.162 0.000 1.127 136 Y CA -0.712 57.470 58.100 0.136 0.000 1.037 136 Y CB 0.792 39.245 38.460 -0.013 0.000 1.320 136 Y HN 1.103 nan 8.280 nan 0.000 0.446 137 K N 3.190 123.236 120.400 -0.590 0.000 2.376 137 K HA 0.959 5.278 4.320 -0.001 0.000 0.257 137 K C -1.024 175.160 176.600 -0.694 0.000 0.939 137 K CA -0.230 55.799 56.287 -0.430 0.000 0.809 137 K CB 1.338 33.721 32.500 -0.195 0.000 1.121 137 K HN 1.192 nan 8.250 nan 0.000 0.425 145 E N 2.187 122.392 120.200 0.008 0.000 2.259 145 E HA 0.564 4.913 4.350 -0.001 0.000 0.281 145 E C -0.475 176.160 176.600 0.059 0.000 1.037 145 E CA -0.202 56.217 56.400 0.032 0.000 0.854 145 E CB 0.436 30.150 29.700 0.022 0.000 1.051 145 E HN 0.520 nan 8.360 nan 0.000 0.409 146 K N 2.652 123.132 120.400 0.132 0.000 2.385 146 K HA 0.402 4.721 4.320 -0.001 0.000 0.248 146 K C -1.034 175.643 176.600 0.128 0.000 0.955 146 K CA -0.974 55.360 56.287 0.079 0.000 0.816 146 K CB 2.204 34.701 32.500 -0.005 0.000 1.250 146 K HN 0.424 nan 8.250 nan 0.000 0.434 147 T N 1.712 116.250 114.554 -0.027 0.000 2.799 147 T HA 0.392 4.741 4.350 -0.001 0.000 0.286 147 T C -1.012 173.537 174.700 -0.251 0.000 0.973 147 T CA -0.362 61.710 62.100 -0.048 0.000 1.035 147 T CB 0.163 69.003 68.868 -0.046 0.000 0.932 147 T HN 0.237 nan 8.240 nan 0.000 0.469 148 Y N 0.880 120.831 120.300 -0.582 0.000 2.509 148 Y HA 0.611 5.160 4.550 -0.001 0.000 0.341 148 Y C 0.778 176.152 175.900 -0.877 0.000 1.038 148 Y CA -0.867 56.696 58.100 -0.895 0.000 1.089 148 Y CB 2.138 39.486 38.460 -1.853 0.000 1.241 148 Y HN 0.525 nan 8.280 nan 0.000 0.468 149 T N 1.886 116.208 114.554 -0.387 0.000 2.900 149 T HA 0.469 4.818 4.350 -0.001 0.000 0.295 149 T C -2.122 172.649 174.700 0.119 0.000 1.044 149 T CA -0.822 61.217 62.100 -0.102 0.000 0.995 149 T CB 1.417 70.229 68.868 -0.093 0.000 1.072 149 T HN 0.477 nan 8.240 nan 0.000 0.473 150 Y N 0.535 120.936 120.300 0.168 0.000 2.441 150 Y HA 0.644 5.193 4.550 -0.001 0.000 0.334 150 Y C 0.047 176.002 175.900 0.091 0.000 1.061 150 Y CA 0.316 58.526 58.100 0.184 0.000 1.032 150 Y CB 1.484 40.156 38.460 0.353 0.000 1.266 150 Y HN 1.029 nan 8.280 nan 0.000 0.441 151 G N 3.991 112.471 108.800 -0.534 0.000 2.403 151 G HA2 0.169 4.129 3.960 -0.001 0.000 0.223 151 G HA3 0.169 4.129 3.960 -0.001 0.000 0.223 151 G C -2.021 172.705 174.900 -0.290 0.000 1.287 151 G CA -0.436 44.515 45.100 -0.249 0.000 0.982 151 G HN 1.099 nan 8.290 nan 0.000 0.471 152 N N -0.320 118.289 118.700 -0.152 0.000 2.494 152 N HA 0.671 5.410 4.740 -0.001 0.000 0.270 152 N C -1.002 174.456 175.510 -0.087 0.000 1.285 152 N CA -0.070 52.892 53.050 -0.146 0.000 0.812 152 N CB 1.878 40.292 38.487 -0.121 0.000 1.557 152 N HN 1.693 nan 8.380 nan 0.000 0.487 153 A N 1.106 123.872 122.820 -0.090 0.000 2.409 153 A HA 0.548 4.867 4.320 -0.001 0.000 0.300 153 A C -2.063 175.546 177.584 0.041 0.000 1.273 153 A CA -1.247 50.793 52.037 0.005 0.000 0.774 153 A CB 1.208 20.237 19.000 0.047 0.000 1.144 153 A HN 0.638 nan 8.150 nan 0.000 0.472 154 P HA 0.065 nan 4.420 nan 0.000 0.239 154 P C 0.131 177.610 177.300 0.297 0.000 1.188 154 P CA 0.447 63.629 63.100 0.137 0.000 0.794 154 P CB 0.276 32.019 31.700 0.072 0.000 0.937 155 V N 2.369 122.429 119.914 0.242 0.000 2.368 155 V HA 0.174 4.293 4.120 -0.001 0.000 0.266 155 V C 0.687 176.788 176.094 0.011 0.000 1.045 155 V CA -0.390 61.982 62.300 0.119 0.000 0.899 155 V CB 0.331 32.168 31.823 0.023 0.000 1.006 155 V HN 0.092 nan 8.190 nan 0.000 0.470 156 Q N 2.776 122.453 119.800 -0.205 0.000 2.352 156 Q HA 0.522 4.861 4.340 -0.001 0.000 0.260 156 Q C 0.272 176.084 176.000 -0.315 0.000 0.976 156 Q CA 0.062 55.475 55.803 -0.649 0.000 0.881 156 Q CB 1.308 29.677 28.738 -0.615 0.000 1.235 156 Q HN 0.906 nan 8.270 nan 0.000 0.419 157 G N 2.226 110.853 108.800 -0.288 0.000 2.569 157 G HA2 0.378 4.337 3.960 -0.001 0.000 0.300 157 G HA3 0.378 4.337 3.960 -0.001 0.000 0.300 157 G C 0.236 175.058 174.900 -0.130 0.000 1.269 157 G CA -0.651 44.361 45.100 -0.146 0.000 0.959 157 G HN 0.788 nan 8.290 nan 0.000 0.478 158 I N -0.214 120.295 120.570 -0.101 0.000 2.394 158 I HA 0.008 4.177 4.170 -0.001 0.000 0.251 158 I C 0.917 177.002 176.117 -0.053 0.000 1.136 158 I CA 0.907 62.156 61.300 -0.084 0.000 1.425 158 I CB 0.084 38.029 38.000 -0.092 0.000 1.079 158 I HN 0.362 nan 8.210 nan 0.000 0.425 159 N N -0.873 117.810 118.700 -0.028 0.000 3.227 159 N HA 0.468 5.208 4.740 -0.001 0.000 0.241 159 N C -1.676 173.891 175.510 0.096 0.000 1.480 159 N CA -0.564 52.502 53.050 0.027 0.000 0.886 159 N CB 1.485 39.993 38.487 0.035 0.000 1.406 159 N HN -0.141 nan 8.380 nan 0.000 0.514 160 I N 0.843 121.495 120.570 0.136 0.000 2.499 160 I HA 0.438 4.607 4.170 -0.001 0.000 0.288 160 I C 0.301 176.522 176.117 0.173 0.000 1.048 160 I CA -0.471 60.961 61.300 0.220 0.000 1.062 160 I CB 2.056 40.203 38.000 0.245 0.000 1.238 160 I HN 0.667 nan 8.210 nan 0.000 0.426 161 T N 0.801 115.471 114.554 0.193 0.000 2.676 161 T HA 0.368 4.717 4.350 -0.001 0.000 0.269 161 T C 0.740 175.355 174.700 -0.143 0.000 0.952 161 T CA -0.718 61.386 62.100 0.006 0.000 1.040 161 T CB 1.175 70.060 68.868 0.028 0.000 1.352 161 T HN 0.579 nan 8.240 nan 0.000 0.554 162 K N 0.136 120.371 120.400 -0.275 0.000 2.360 162 K HA -0.005 4.315 4.320 -0.001 0.000 0.201 162 K C 0.952 177.471 176.600 -0.134 0.000 1.046 162 K CA 1.503 57.589 56.287 -0.334 0.000 0.945 162 K CB -0.372 31.959 32.500 -0.281 0.000 0.750 162 K HN 0.465 nan 8.250 nan 0.000 0.464 163 D N 0.462 120.704 120.400 -0.264 0.000 2.340 163 D HA 0.145 4.784 4.640 -0.001 0.000 0.220 163 D C 0.845 177.017 176.300 -0.213 0.000 1.039 163 D CA 0.952 54.703 54.000 -0.415 0.000 0.866 163 D CB 0.617 40.817 40.800 -1.000 0.000 0.913 163 D HN 0.456 nan 8.370 nan 0.000 0.523 164 G N 1.262 110.133 108.800 0.119 0.000 2.384 164 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.200 164 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.200 164 G C -0.775 174.412 174.900 0.478 0.000 1.205 164 G CA -0.484 44.824 45.100 0.346 0.000 1.116 164 G HN 0.226 nan 8.290 nan 0.000 0.547 165 I N 1.525 122.384 120.570 0.482 0.000 2.371 165 I HA 0.485 4.654 4.170 -0.001 0.000 0.290 165 I C 0.709 176.966 176.117 0.233 0.000 1.028 165 I CA -0.461 61.035 61.300 0.327 0.000 1.345 165 I CB 1.103 39.236 38.000 0.221 0.000 1.407 165 I HN 0.666 nan 8.210 nan 0.000 0.501 166 Q N 6.792 126.628 119.800 0.059 0.000 2.295 166 Q HA 0.229 4.568 4.340 -0.001 0.000 0.259 166 Q C -0.362 175.538 176.000 -0.167 0.000 0.976 166 Q CA -0.245 55.399 55.803 -0.265 0.000 0.923 166 Q CB 1.179 29.696 28.738 -0.367 0.000 1.185 166 Q HN 0.850 nan 8.270 nan 0.000 0.410 167 L N 2.913 124.029 121.223 -0.178 0.000 2.638 167 L HA 0.432 4.771 4.340 -0.001 0.000 0.232 167 L C 0.771 177.569 176.870 -0.121 0.000 1.099 167 L CA 0.275 55.039 54.840 -0.126 0.000 0.883 167 L CB 0.754 42.745 42.059 -0.115 0.000 1.136 167 L HN 0.779 nan 8.230 nan 0.000 0.492 168 G N -0.997 107.715 108.800 -0.147 0.000 2.488 168 G HA2 0.482 4.441 3.960 -0.001 0.000 0.301 168 G HA3 0.482 4.441 3.960 -0.001 0.000 0.301 168 G C -1.453 173.370 174.900 -0.129 0.000 1.339 168 G CA -0.279 44.753 45.100 -0.114 0.000 0.803 168 G HN -0.228 nan 8.290 nan 0.000 0.482 169 T N 1.098 115.599 114.554 -0.089 0.000 2.921 169 T HA 0.500 4.849 4.350 -0.001 0.000 0.297 169 T C -1.014 173.656 174.700 -0.049 0.000 1.013 169 T CA -0.634 61.420 62.100 -0.076 0.000 0.990 169 T CB 1.925 70.756 68.868 -0.063 0.000 1.023 169 T HN 0.460 nan 8.240 nan 0.000 0.447 170 D N 2.141 122.518 120.400 -0.038 0.000 2.429 170 D HA -0.014 4.625 4.640 -0.001 0.000 0.233 170 D C 1.740 178.031 176.300 -0.015 0.000 1.202 170 D CA 0.566 54.554 54.000 -0.019 0.000 0.879 170 D CB 0.866 41.660 40.800 -0.010 0.000 1.212 170 D HN 0.726 nan 8.370 nan 0.000 0.465 171 T N -2.195 112.354 114.554 -0.009 0.000 2.881 171 T HA -0.186 4.163 4.350 -0.001 0.000 0.270 171 T C 1.247 175.945 174.700 -0.004 0.000 1.068 171 T CA 0.945 63.041 62.100 -0.006 0.000 1.131 171 T CB 0.063 68.930 68.868 -0.002 0.000 0.871 171 T HN 0.349 nan 8.240 nan 0.000 0.479 172 D N 1.232 121.631 120.400 -0.002 0.000 2.378 172 D HA -0.062 4.578 4.640 -0.001 0.000 0.227 172 D C 0.321 176.620 176.300 -0.002 0.000 1.012 172 D CA 0.547 54.547 54.000 0.001 0.000 0.905 172 D CB -0.314 40.489 40.800 0.005 0.000 0.895 172 D HN 0.346 nan 8.370 nan 0.000 0.532 173 D N -0.332 120.063 120.400 -0.008 0.000 2.746 173 D HA -0.194 4.445 4.640 -0.001 0.000 0.236 173 D C -0.468 175.825 176.300 -0.012 0.000 1.129 173 D CA 1.233 55.226 54.000 -0.012 0.000 0.691 173 D CB -1.298 39.496 40.800 -0.010 0.000 1.077 173 D HN 0.431 nan 8.370 nan 0.000 0.432 174 Q N -0.234 119.558 119.800 -0.013 0.000 2.375 174 Q HA 0.680 5.019 4.340 -0.001 0.000 0.271 174 Q C -2.705 173.272 176.000 -0.039 0.000 1.074 174 Q CA -1.378 54.421 55.803 -0.007 0.000 0.808 174 Q CB 1.180 29.928 28.738 0.017 0.000 1.327 174 Q HN 0.117 nan 8.270 nan 0.000 0.441 175 P HA 0.103 nan 4.420 nan 0.000 0.261 175 P C -0.743 176.400 177.300 -0.262 0.000 1.173 175 P CA 0.543 63.505 63.100 -0.231 0.000 0.760 175 P CB 0.280 31.809 31.700 -0.284 0.000 0.783 176 I N 4.385 124.768 120.570 -0.312 0.000 2.321 176 I HA 0.243 4.413 4.170 -0.001 0.000 0.291 176 I C 0.335 176.238 176.117 -0.356 0.000 0.998 176 I CA -0.749 60.427 61.300 -0.207 0.000 1.227 176 I CB 0.494 38.430 38.000 -0.107 0.000 1.368 176 I HN 0.270 nan 8.210 nan 0.000 0.466 177 Y N 3.990 124.292 120.300 0.003 0.000 2.403 177 Y HA 0.584 5.133 4.550 -0.001 0.000 0.323 177 Y C 0.809 176.690 175.900 -0.032 0.000 1.226 177 Y CA -0.793 57.314 58.100 0.012 0.000 1.235 177 Y CB 1.118 39.608 38.460 0.050 0.000 1.248 177 Y HN 0.582 nan 8.280 nan 0.000 0.489 178 A N 1.595 124.476 122.820 0.103 0.000 2.540 178 A HA 0.009 4.329 4.320 -0.001 0.000 0.239 178 A C -0.125 177.401 177.584 -0.097 0.000 1.061 178 A CA -0.259 51.709 52.037 -0.116 0.000 0.758 178 A CB -0.213 18.621 19.000 -0.277 0.000 0.991 178 A HN 0.691 nan 8.150 nan 0.000 0.502 179 D N 2.107 122.357 120.400 -0.251 0.000 2.338 179 D HA 0.055 4.694 4.640 -0.001 0.000 0.255 179 D C 1.356 177.498 176.300 -0.264 0.000 1.237 179 D CA -0.188 53.696 54.000 -0.194 0.000 0.883 179 D CB 0.801 41.495 40.800 -0.177 0.000 1.087 179 D HN 0.618 nan 8.370 nan 0.000 0.485 180 K N 1.417 121.782 120.400 -0.058 0.000 2.360 180 K HA -0.171 4.149 4.320 -0.001 0.000 0.201 180 K C 1.310 177.855 176.600 -0.093 0.000 1.046 180 K CA 1.537 57.829 56.287 0.007 0.000 0.940 180 K CB -0.366 32.276 32.500 0.237 0.000 0.748 180 K HN 0.378 nan 8.250 nan 0.000 0.465 181 T N -2.163 112.318 114.554 -0.123 0.000 3.023 181 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 181 T C 1.454 176.090 174.700 -0.106 0.000 1.093 181 T CA 0.769 62.716 62.100 -0.255 0.000 1.129 181 T CB -0.432 68.272 68.868 -0.273 0.000 0.899 181 T HN 0.694 nan 8.240 nan 0.000 0.491 182 Y N -1.088 119.095 120.300 -0.194 0.000 2.532 182 Y HA 0.522 5.071 4.550 -0.001 0.000 0.282 182 Y C 0.379 176.186 175.900 -0.153 0.000 1.013 182 Y CA -1.169 56.838 58.100 -0.154 0.000 1.159 182 Y CB 0.412 38.804 38.460 -0.113 0.000 1.393 182 Y HN 0.094 nan 8.280 nan 0.000 0.580 183 Q N 3.867 123.259 119.800 -0.680 0.000 2.257 183 Q HA 0.441 4.780 4.340 -0.001 0.000 0.262 183 Q C -2.664 172.927 176.000 -0.682 0.000 0.997 183 Q CA -2.601 52.852 55.803 -0.583 0.000 0.873 183 Q CB 1.700 30.041 28.738 -0.662 0.000 1.312 183 Q HN 0.024 nan 8.270 nan 0.000 0.450 184 P HA -0.029 nan 4.420 nan 0.000 0.269 184 P C -0.999 176.186 177.300 -0.192 0.000 1.209 184 P CA 0.041 62.946 63.100 -0.327 0.000 0.776 184 P CB 0.670 32.231 31.700 -0.231 0.000 0.876 185 E N 3.737 123.874 120.200 -0.106 0.000 2.313 185 E HA 0.116 4.465 4.350 -0.001 0.000 0.276 185 E C -1.253 175.340 176.600 -0.012 0.000 1.031 185 E CA -1.467 54.914 56.400 -0.032 0.000 0.857 185 E CB 0.242 29.947 29.700 0.009 0.000 1.040 185 E HN 0.386 nan 8.360 nan 0.000 0.408 186 P HA -0.186 nan 4.420 nan 0.000 0.223 186 P C 0.749 178.067 177.300 0.030 0.000 1.151 186 P CA 0.954 64.065 63.100 0.019 0.000 0.787 186 P CB 0.389 32.104 31.700 0.024 0.000 0.788 187 Q N -0.194 119.625 119.800 0.031 0.000 2.451 187 Q HA 0.054 4.393 4.340 -0.001 0.000 0.206 187 Q C 0.500 176.523 176.000 0.037 0.000 0.947 187 Q CA 0.538 56.364 55.803 0.038 0.000 0.937 187 Q CB -0.766 27.996 28.738 0.040 0.000 1.025 187 Q HN 0.086 nan 8.270 nan 0.000 0.511 188 V N 0.699 120.632 119.914 0.032 0.000 2.617 188 V HA 0.776 4.895 4.120 -0.001 0.000 0.298 188 V C 0.542 176.664 176.094 0.046 0.000 1.048 188 V CA 0.178 62.497 62.300 0.032 0.000 0.964 188 V CB 1.334 33.167 31.823 0.016 0.000 1.004 188 V HN 0.497 nan 8.190 nan 0.000 0.466 189 G N 1.972 110.804 108.800 0.054 0.000 2.489 189 G HA2 0.374 4.333 3.960 -0.001 0.000 0.305 189 G HA3 0.374 4.333 3.960 -0.001 0.000 0.305 189 G C -1.678 173.270 174.900 0.081 0.000 1.311 189 G CA -0.787 44.363 45.100 0.083 0.000 0.813 189 G HN 0.489 nan 8.290 nan 0.000 0.480 190 D N 0.194 120.662 120.400 0.114 0.000 2.449 190 D HA 0.397 5.036 4.640 -0.001 0.000 0.236 190 D C 1.189 177.524 176.300 0.059 0.000 1.149 190 D CA 0.669 54.724 54.000 0.091 0.000 0.878 190 D CB 1.656 42.533 40.800 0.128 0.000 1.198 190 D HN 0.566 nan 8.370 nan 0.000 0.446 191 A N 2.249 125.086 122.820 0.030 0.000 2.169 191 A HA 0.068 4.387 4.320 -0.001 0.000 0.210 191 A C 0.591 178.182 177.584 0.011 0.000 1.168 191 A CA 0.508 52.557 52.037 0.020 0.000 0.813 191 A CB 0.027 19.029 19.000 0.003 0.000 0.861 191 A HN 0.651 nan 8.150 nan 0.000 0.481 192 E N -0.614 119.576 120.200 -0.016 0.000 2.433 192 E HA 0.411 4.760 4.350 -0.001 0.000 0.273 192 E C -0.569 176.016 176.600 -0.025 0.000 0.950 192 E CA -1.332 55.033 56.400 -0.059 0.000 0.796 192 E CB 0.399 29.971 29.700 -0.213 0.000 1.330 192 E HN 0.435 nan 8.360 nan 0.000 0.455 193 W N 0.033 121.355 121.300 0.038 0.000 2.137 193 W HA 0.504 5.163 4.660 -0.001 0.000 0.344 193 W C -0.407 176.134 176.519 0.037 0.000 1.286 193 W CA 0.513 57.881 57.345 0.038 0.000 1.240 193 W CB -0.579 28.905 29.460 0.040 0.000 1.141 193 W HN 0.880 nan 8.180 nan 0.000 0.579 202 K N 0.214 120.610 120.400 -0.006 0.000 2.156 202 K HA 0.707 5.027 4.320 -0.001 0.000 0.271 202 K C -1.304 175.227 176.600 -0.116 0.000 0.995 202 K CA -0.574 55.740 56.287 0.045 0.000 0.890 202 K CB 1.109 33.630 32.500 0.035 0.000 1.073 202 K HN 0.137 nan 8.250 nan 0.000 0.454 203 Y N -0.685 119.651 120.300 0.060 0.000 2.581 203 Y HA 0.536 5.085 4.550 -0.001 0.000 0.345 203 Y C 0.414 176.358 175.900 0.073 0.000 1.036 203 Y CA -0.763 57.367 58.100 0.049 0.000 1.042 203 Y CB 2.635 41.111 38.460 0.026 0.000 1.289 203 Y HN 0.708 nan 8.280 nan 0.000 0.471 204 G N -0.470 108.465 108.800 0.224 0.000 2.605 204 G HA2 0.696 4.655 3.960 -0.001 0.000 0.296 204 G HA3 0.696 4.655 3.960 -0.001 0.000 0.296 204 G C -1.010 173.978 174.900 0.147 0.000 1.304 204 G CA -0.590 44.623 45.100 0.189 0.000 0.941 204 G HN 0.928 nan 8.290 nan 0.000 0.475 205 G N -0.718 108.171 108.800 0.148 0.000 2.559 205 G HA2 0.607 4.566 3.960 -0.001 0.000 0.291 205 G HA3 0.607 4.566 3.960 -0.001 0.000 0.291 205 G C -1.098 173.874 174.900 0.119 0.000 1.424 205 G CA -0.980 44.174 45.100 0.091 0.000 0.786 205 G HN 0.656 nan 8.290 nan 0.000 0.485 206 R N -0.814 119.730 120.500 0.072 0.000 2.607 206 R HA 0.830 5.170 4.340 -0.001 0.000 0.261 206 R C -0.431 175.917 176.300 0.080 0.000 1.051 206 R CA -0.387 55.766 56.100 0.088 0.000 1.110 206 R CB 1.859 32.186 30.300 0.045 0.000 1.158 206 R HN 0.896 nan 8.270 nan 0.000 0.543 207 A N 1.386 124.257 122.820 0.084 0.000 2.589 207 A HA 0.421 4.741 4.320 -0.001 0.000 0.296 207 A C -1.143 176.489 177.584 0.080 0.000 1.062 207 A CA -0.784 51.301 52.037 0.081 0.000 0.686 207 A CB 1.216 20.267 19.000 0.085 0.000 1.282 207 A HN 0.534 nan 8.150 nan 0.000 0.404 208 L N 2.362 123.638 121.223 0.088 0.000 2.331 208 L HA 0.307 4.647 4.340 -0.001 0.000 0.278 208 L C 0.607 177.537 176.870 0.099 0.000 1.106 208 L CA -0.404 54.486 54.840 0.083 0.000 0.824 208 L CB 0.948 43.056 42.059 0.080 0.000 1.142 208 L HN 0.712 nan 8.230 nan 0.000 0.443 209 K N 3.769 124.219 120.400 0.083 0.000 2.276 209 K HA 0.071 4.390 4.320 -0.001 0.000 0.259 209 K C -1.526 175.138 176.600 0.106 0.000 1.001 209 K CA -1.277 55.061 56.287 0.084 0.000 0.927 209 K CB 0.449 32.987 32.500 0.063 0.000 0.969 209 K HN 0.269 nan 8.250 nan 0.000 0.490 210 P HA -0.173 nan 4.420 nan 0.000 0.217 210 P C 0.048 177.417 177.300 0.115 0.000 1.148 210 P CA 1.289 64.477 63.100 0.148 0.000 0.828 210 P CB 0.226 32.013 31.700 0.144 0.000 0.783 211 D N -2.007 118.445 120.400 0.085 0.000 2.363 211 D HA -0.010 4.629 4.640 -0.001 0.000 0.220 211 D C 0.158 176.493 176.300 0.059 0.000 0.994 211 D CA 0.913 54.953 54.000 0.067 0.000 0.890 211 D CB -0.412 40.421 40.800 0.054 0.000 0.906 211 D HN 0.143 nan 8.370 nan 0.000 0.530 212 T N 1.916 116.508 114.554 0.064 0.000 2.811 212 T HA 0.178 4.527 4.350 -0.001 0.000 0.309 212 T C 0.367 175.101 174.700 0.058 0.000 1.005 212 T CA -0.564 61.567 62.100 0.051 0.000 0.955 212 T CB 0.948 69.843 68.868 0.046 0.000 0.970 212 T HN -0.108 nan 8.240 nan 0.000 0.496 213 K N 3.469 123.897 120.400 0.047 0.000 2.401 213 K HA 0.215 4.534 4.320 -0.001 0.000 0.278 213 K C 0.583 177.207 176.600 0.039 0.000 1.018 213 K CA -0.111 56.203 56.287 0.045 0.000 0.981 213 K CB 0.452 32.971 32.500 0.031 0.000 0.933 213 K HN 0.532 nan 8.250 nan 0.000 0.477 214 M N 3.008 122.631 119.600 0.037 0.000 2.248 214 M HA -0.031 4.448 4.480 -0.001 0.000 0.343 214 M C 0.208 176.518 176.300 0.016 0.000 1.243 214 M CA 0.930 56.246 55.300 0.028 0.000 1.025 214 M CB 0.168 32.766 32.600 -0.003 0.000 1.759 214 M HN 0.232 nan 8.290 nan 0.000 0.452 215 K N 3.539 123.956 120.400 0.028 0.000 2.375 215 K HA 0.584 4.904 4.320 -0.001 0.000 0.249 215 K C -2.603 174.024 176.600 0.046 0.000 0.942 215 K CA -2.084 54.223 56.287 0.033 0.000 0.806 215 K CB 1.469 33.994 32.500 0.041 0.000 1.227 215 K HN 0.202 nan 8.250 nan 0.000 0.430 216 P HA -0.009 nan 4.420 nan 0.000 0.266 216 P C 0.966 178.333 177.300 0.112 0.000 1.193 216 P CA -0.114 63.034 63.100 0.079 0.000 0.770 216 P CB 0.537 32.293 31.700 0.095 0.000 0.836 217 C N 3.280 122.653 119.300 0.122 0.000 2.413 217 C HA -0.158 4.301 4.460 -0.001 0.000 0.276 217 C C 1.362 176.448 174.990 0.160 0.000 1.248 217 C CA 0.365 59.459 59.018 0.127 0.000 1.742 217 C CB -1.640 26.176 27.740 0.126 0.000 2.017 217 C HN 0.533 nan 8.230 nan 0.000 0.481 218 Y N 1.035 121.376 120.300 0.067 0.000 2.677 218 Y HA 0.399 4.948 4.550 -0.001 0.000 0.335 218 Y C 1.209 177.167 175.900 0.098 0.000 1.162 218 Y CA 1.212 59.358 58.100 0.076 0.000 1.483 218 Y CB 0.005 38.492 38.460 0.044 0.000 1.209 218 Y HN 0.621 nan 8.280 nan 0.000 0.528 219 G N 2.940 111.618 108.800 -0.203 0.000 2.213 219 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.236 219 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.236 219 G C 0.222 175.185 174.900 0.106 0.000 0.991 219 G CA 0.091 45.185 45.100 -0.010 0.000 0.629 219 G HN 0.689 nan 8.290 nan 0.000 0.517 220 S N 0.664 116.418 115.700 0.089 0.000 2.488 220 S HA 0.582 5.051 4.470 -0.001 0.000 0.278 220 S C -0.530 174.080 174.600 0.016 0.000 1.259 220 S CA 0.027 58.257 58.200 0.051 0.000 1.061 220 S CB 0.622 63.851 63.200 0.049 0.000 0.910 220 S HN 0.784 nan 8.310 nan 0.000 0.491 221 F N 2.774 122.556 119.950 -0.279 0.000 2.551 221 F HA 0.718 5.244 4.527 -0.001 0.000 0.316 221 F C -0.704 174.963 175.800 -0.223 0.000 1.089 221 F CA -0.849 56.892 58.000 -0.430 0.000 0.915 221 F CB 1.223 39.598 39.000 -1.042 0.000 1.186 221 F HN 0.526 nan 8.300 nan 0.000 0.456 222 A N 6.013 128.163 122.820 -1.117 0.000 2.402 222 A HA 0.518 4.837 4.320 -0.001 0.000 0.291 222 A C -1.218 175.692 177.584 -1.124 0.000 1.051 222 A CA -0.989 50.516 52.037 -0.887 0.000 0.716 222 A CB 0.904 19.684 19.000 -0.366 0.000 1.223 222 A HN 0.868 nan 8.150 nan 0.000 0.425 223 K N 3.280 123.155 120.400 -0.876 0.000 2.436 223 K HA 0.344 4.663 4.320 -0.001 0.000 0.275 223 K C -2.411 174.071 176.600 -0.197 0.000 0.999 223 K CA -0.804 55.242 56.287 -0.402 0.000 0.980 223 K CB 0.280 32.774 32.500 -0.011 0.000 0.919 223 K HN 0.346 nan 8.250 nan 0.000 0.484 224 P HA -0.018 nan 4.420 nan 0.000 0.271 224 P C -0.059 177.256 177.300 0.027 0.000 1.216 224 P CA -0.250 62.839 63.100 -0.019 0.000 0.776 224 P CB 1.092 32.802 31.700 0.016 0.000 0.881 225 T N -1.760 112.833 114.554 0.064 0.000 3.044 225 T HA 0.199 4.548 4.350 -0.001 0.000 0.260 225 T C 0.284 175.089 174.700 0.175 0.000 1.019 225 T CA -0.280 61.898 62.100 0.130 0.000 0.921 225 T CB -0.621 68.371 68.868 0.206 0.000 1.053 225 T HN 0.585 nan 8.240 nan 0.000 0.533 226 N N -1.298 117.467 118.700 0.109 0.000 2.825 226 N HA 0.504 5.244 4.740 -0.001 0.000 0.253 226 N C 0.620 176.136 175.510 0.010 0.000 1.426 226 N CA -0.457 52.641 53.050 0.081 0.000 0.851 226 N CB 0.870 39.419 38.487 0.103 0.000 1.470 226 N HN -0.040 nan 8.380 nan 0.000 0.517 227 K N -0.521 119.866 120.400 -0.022 0.000 2.283 227 K HA -0.010 4.309 4.320 -0.001 0.000 0.202 227 K C 0.812 177.354 176.600 -0.096 0.000 1.048 227 K CA 1.686 57.944 56.287 -0.048 0.000 0.948 227 K CB -0.892 31.575 32.500 -0.054 0.000 0.742 227 K HN 0.736 nan 8.250 nan 0.000 0.458 228 E N -1.052 119.048 120.200 -0.166 0.000 2.419 228 E HA 0.320 4.669 4.350 -0.001 0.000 0.190 228 E C 1.060 177.616 176.600 -0.072 0.000 1.040 228 E CA 0.472 56.730 56.400 -0.236 0.000 0.900 228 E CB 0.198 29.472 29.700 -0.710 0.000 1.054 228 E HN 0.571 nan 8.360 nan 0.000 0.462 229 G N 0.105 108.886 108.800 -0.031 0.000 2.179 229 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 229 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 229 G C 0.678 175.580 174.900 0.003 0.000 0.977 229 G CA -0.174 44.927 45.100 0.003 0.000 0.641 229 G HN 0.567 nan 8.290 nan 0.000 0.533 230 G N -0.943 107.857 108.800 0.001 0.000 2.544 230 G HA2 0.466 4.426 3.960 -0.001 0.000 0.242 230 G HA3 0.466 4.426 3.960 -0.001 0.000 0.242 230 G C 0.506 175.394 174.900 -0.020 0.000 1.247 230 G CA 0.464 45.549 45.100 -0.024 0.000 0.840 230 G HN 0.497 nan 8.290 nan 0.000 0.578 231 Q N -0.048 119.735 119.800 -0.027 0.000 2.140 231 Q HA 0.336 4.675 4.340 -0.001 0.000 0.227 231 Q C 1.071 177.083 176.000 0.021 0.000 0.798 231 Q CA -0.281 55.505 55.803 -0.027 0.000 0.987 231 Q CB 1.172 29.858 28.738 -0.086 0.000 1.161 231 Q HN 0.686 nan 8.270 nan 0.000 0.480 232 A N 1.677 124.529 122.820 0.052 0.000 2.540 232 A HA 0.100 4.419 4.320 -0.001 0.000 0.239 232 A C -0.034 177.669 177.584 0.199 0.000 1.061 232 A CA -0.359 51.749 52.037 0.118 0.000 0.758 232 A CB 0.155 19.229 19.000 0.124 0.000 0.991 232 A HN 0.206 nan 8.150 nan 0.000 0.502 233 N N 0.818 119.593 118.700 0.125 0.000 2.412 233 N HA 0.136 4.875 4.740 -0.001 0.000 0.254 233 N C -0.246 175.323 175.510 0.098 0.000 1.232 233 N CA 0.057 53.161 53.050 0.090 0.000 0.880 233 N CB 0.604 39.123 38.487 0.053 0.000 1.076 233 N HN 0.349 nan 8.380 nan 0.000 0.458 234 V N 3.574 123.494 119.914 0.010 0.000 2.455 234 V HA 0.038 4.157 4.120 -0.001 0.000 0.273 234 V C 1.575 177.620 176.094 -0.083 0.000 1.045 234 V CA -0.011 62.206 62.300 -0.139 0.000 0.976 234 V CB 0.874 32.572 31.823 -0.208 0.000 0.993 234 V HN 0.614 nan 8.190 nan 0.000 0.475 235 K N 3.022 123.373 120.400 -0.083 0.000 2.020 235 K HA 0.175 4.494 4.320 -0.001 0.000 0.206 235 K C 0.981 177.550 176.600 -0.052 0.000 1.038 235 K CA 1.461 57.723 56.287 -0.041 0.000 0.947 235 K CB 0.035 32.526 32.500 -0.015 0.000 0.744 235 K HN 0.900 nan 8.250 nan 0.000 0.442 242 K N 2.394 122.749 120.400 -0.075 0.000 2.404 242 K HA 0.402 4.721 4.320 -0.001 0.000 0.271 242 K C 0.606 177.071 176.600 -0.224 0.000 1.130 242 K CA 1.250 57.414 56.287 -0.204 0.000 1.181 242 K CB -0.017 32.341 32.500 -0.236 0.000 0.840 242 K HN 0.778 nan 8.250 nan 0.000 0.483 243 E N 3.862 123.924 120.200 -0.229 0.000 2.183 243 E HA 0.373 4.722 4.350 -0.001 0.000 0.271 243 E C -1.417 175.071 176.600 -0.187 0.000 0.919 243 E CA -0.578 55.757 56.400 -0.108 0.000 0.781 243 E CB 0.816 30.500 29.700 -0.026 0.000 1.140 243 E HN 0.495 nan 8.360 nan 0.000 0.402 244 Y N 0.336 120.653 120.300 0.029 0.000 2.509 244 Y HA 0.392 4.941 4.550 -0.001 0.000 0.341 244 Y C 0.275 176.191 175.900 0.027 0.000 1.038 244 Y CA -1.166 56.952 58.100 0.030 0.000 1.089 244 Y CB 2.368 40.852 38.460 0.040 0.000 1.241 244 Y HN 0.593 nan 8.280 nan 0.000 0.468 245 D N 2.974 123.490 120.400 0.193 0.000 2.508 245 D HA 0.283 4.922 4.640 -0.001 0.000 0.224 245 D C -1.050 175.313 176.300 0.105 0.000 1.171 245 D CA 0.493 54.562 54.000 0.114 0.000 1.006 245 D CB -0.670 40.179 40.800 0.081 0.000 1.073 245 D HN 0.425 nan 8.370 nan 0.000 0.513 246 I N 2.208 122.836 120.570 0.097 0.000 2.571 246 I HA 0.313 4.482 4.170 -0.001 0.000 0.289 246 I C -0.598 175.538 176.117 0.031 0.000 1.115 246 I CA -0.753 60.589 61.300 0.069 0.000 1.045 246 I CB 2.149 40.199 38.000 0.082 0.000 1.238 246 I HN -0.040 nan 8.210 nan 0.000 0.424 247 D N 6.922 127.312 120.400 -0.017 0.000 2.819 247 D HA 0.488 5.127 4.640 -0.001 0.000 0.232 247 D C -0.756 175.423 176.300 -0.202 0.000 1.160 247 D CA -0.612 53.341 54.000 -0.080 0.000 0.858 247 D CB 2.819 43.586 40.800 -0.055 0.000 1.610 247 D HN 0.304 nan 8.370 nan 0.000 0.481 248 M N 1.173 120.568 119.600 -0.342 0.000 2.235 248 M HA 0.460 4.940 4.480 -0.001 0.000 0.351 248 M C -0.087 175.865 176.300 -0.580 0.000 1.178 248 M CA -0.188 54.712 55.300 -0.667 0.000 1.143 248 M CB 1.378 33.430 32.600 -0.913 0.000 1.530 248 M HN 0.354 nan 8.290 nan 0.000 0.461 249 A N 3.652 126.104 122.820 -0.613 0.000 2.343 249 A HA 0.812 5.131 4.320 -0.001 0.000 0.308 249 A C -1.316 175.851 177.584 -0.695 0.000 1.092 249 A CA -0.598 51.130 52.037 -0.515 0.000 0.751 249 A CB 0.588 19.430 19.000 -0.264 0.000 1.203 249 A HN 0.708 nan 8.150 nan 0.000 0.452 250 F N 1.054 120.710 119.950 -0.489 0.000 2.425 250 F HA 0.786 5.313 4.527 -0.001 0.000 0.331 250 F C -0.340 175.039 175.800 -0.701 0.000 1.085 250 F CA -0.415 57.361 58.000 -0.373 0.000 1.028 250 F CB 1.545 40.419 39.000 -0.209 0.000 1.177 250 F HN 0.453 nan 8.300 nan 0.000 0.487 251 F N 0.427 120.466 119.950 0.147 0.000 2.588 251 F HA 0.435 4.961 4.527 -0.001 0.000 0.310 251 F C -0.616 175.222 175.800 0.064 0.000 1.082 251 F CA -0.924 57.115 58.000 0.065 0.000 0.929 251 F CB 1.860 40.872 39.000 0.020 0.000 1.254 251 F HN 0.300 nan 8.300 nan 0.000 0.455 252 D N 0.335 120.861 120.400 0.209 0.000 2.523 252 D HA 0.270 4.909 4.640 -0.001 0.000 0.236 252 D C -0.866 175.500 176.300 0.109 0.000 1.094 252 D CA -0.621 53.458 54.000 0.131 0.000 0.942 252 D CB 1.677 42.520 40.800 0.072 0.000 1.447 252 D HN 0.439 nan 8.370 nan 0.000 0.479 253 N N 1.152 119.896 118.700 0.074 0.000 2.412 253 N HA -0.044 4.695 4.740 -0.001 0.000 0.254 253 N C 1.109 176.646 175.510 0.044 0.000 1.232 253 N CA 0.161 53.241 53.050 0.051 0.000 0.880 253 N CB 1.064 39.572 38.487 0.036 0.000 1.076 253 N HN 0.402 nan 8.380 nan 0.000 0.458 254 R N 1.504 122.027 120.500 0.037 0.000 2.170 254 R HA -0.155 4.185 4.340 -0.001 0.000 0.242 254 R C 1.631 177.944 176.300 0.021 0.000 1.145 254 R CA 1.852 57.969 56.100 0.029 0.000 0.984 254 R CB -0.019 30.295 30.300 0.025 0.000 0.869 254 R HN 0.657 nan 8.270 nan 0.000 0.455 255 S N -0.947 114.765 115.700 0.020 0.000 2.575 255 S HA 0.299 4.769 4.470 -0.001 0.000 0.215 255 S C 0.531 175.140 174.600 0.015 0.000 0.966 255 S CA -0.155 58.055 58.200 0.016 0.000 0.911 255 S CB 0.462 63.670 63.200 0.014 0.000 0.780 255 S HN 0.377 nan 8.310 nan 0.000 0.514 256 A N 1.585 124.416 122.820 0.018 0.000 2.425 256 A HA 0.671 4.990 4.320 -0.001 0.000 0.242 256 A C 0.719 178.309 177.584 0.010 0.000 1.077 256 A CA -0.016 52.031 52.037 0.016 0.000 0.781 256 A CB -0.323 18.690 19.000 0.021 0.000 1.020 256 A HN 0.927 nan 8.150 nan 0.000 0.494 257 A N 1.234 124.059 122.820 0.007 0.000 2.450 257 A HA 0.490 4.809 4.320 -0.001 0.000 0.255 257 A C 1.428 179.011 177.584 -0.001 0.000 1.096 257 A CA 0.269 52.307 52.037 0.003 0.000 0.778 257 A CB -0.188 18.813 19.000 0.002 0.000 1.031 257 A HN 2.001 nan 8.150 nan 0.000 0.494 258 A N 2.508 125.326 122.820 -0.003 0.000 2.070 258 A HA 0.144 4.463 4.320 -0.001 0.000 0.220 258 A C 2.087 179.664 177.584 -0.012 0.000 1.159 258 A CA 2.048 54.081 52.037 -0.008 0.000 0.656 258 A CB -0.443 18.552 19.000 -0.009 0.000 0.800 258 A HN 1.591 nan 8.150 nan 0.000 0.453 259 A N -1.161 121.654 122.820 -0.010 0.000 2.123 259 A HA 0.392 4.711 4.320 -0.001 0.000 0.214 259 A C 1.661 179.237 177.584 -0.013 0.000 1.152 259 A CA 1.092 53.122 52.037 -0.012 0.000 0.728 259 A CB -0.288 18.707 19.000 -0.009 0.000 0.814 259 A HN 0.838 nan 8.150 nan 0.000 0.464 260 G N -0.099 108.695 108.800 -0.009 0.000 4.547 260 G HA2 0.479 4.438 3.960 -0.001 0.000 0.301 260 G HA3 0.479 4.438 3.960 -0.001 0.000 0.301 260 G C -0.071 174.825 174.900 -0.008 0.000 1.240 260 G CA -0.393 44.701 45.100 -0.009 0.000 0.970 260 G HN 0.257 nan 8.290 nan 0.000 0.574 261 L N 1.214 122.428 121.223 -0.014 0.000 2.416 261 L HA 0.570 4.910 4.340 -0.001 0.000 0.272 261 L C 0.506 177.362 176.870 -0.023 0.000 1.161 261 L CA -0.027 54.804 54.840 -0.014 0.000 0.845 261 L CB 1.216 43.261 42.059 -0.023 0.000 1.119 261 L HN 0.276 nan 8.230 nan 0.000 0.464 262 A N 4.491 127.306 122.820 -0.009 0.000 2.605 262 A HA 0.695 5.015 4.320 -0.001 0.000 0.294 262 A C -2.828 174.770 177.584 0.024 0.000 1.062 262 A CA -1.191 50.836 52.037 -0.017 0.000 0.682 262 A CB 1.456 20.449 19.000 -0.011 0.000 1.278 262 A HN 0.404 nan 8.150 nan 0.000 0.410 263 P HA 0.268 nan 4.420 nan 0.000 0.271 263 P C 0.093 177.483 177.300 0.150 0.000 1.226 263 P CA 0.291 63.476 63.100 0.141 0.000 0.765 263 P CB 0.864 32.708 31.700 0.240 0.000 0.835 264 E N 2.153 122.454 120.200 0.168 0.000 2.251 264 E HA 0.177 4.526 4.350 -0.001 0.000 0.194 264 E C 0.673 177.394 176.600 0.201 0.000 0.964 264 E CA 0.641 57.137 56.400 0.160 0.000 0.868 264 E CB 0.452 30.232 29.700 0.133 0.000 0.828 264 E HN 0.472 nan 8.360 nan 0.000 0.481 265 I N 0.678 121.394 120.570 0.244 0.000 2.582 265 I HA 0.255 4.424 4.170 -0.001 0.000 0.292 265 I C -0.923 175.380 176.117 0.310 0.000 1.066 265 I CA -0.940 60.510 61.300 0.251 0.000 1.053 265 I CB 2.995 41.091 38.000 0.160 0.000 1.241 265 I HN -0.286 nan 8.210 nan 0.000 0.421 266 V N 7.390 127.435 119.914 0.218 0.000 2.540 266 V HA 0.571 4.690 4.120 -0.001 0.000 0.302 266 V C -0.951 175.194 176.094 0.084 0.000 1.035 266 V CA -0.385 61.938 62.300 0.037 0.000 0.873 266 V CB 2.003 33.745 31.823 -0.135 0.000 0.992 266 V HN 0.511 nan 8.190 nan 0.000 0.428 267 L N 6.624 127.868 121.223 0.036 0.000 2.329 267 L HA 0.530 4.870 4.340 -0.001 0.000 0.279 267 L C -1.329 175.514 176.870 -0.045 0.000 1.014 267 L CA -0.738 54.161 54.840 0.098 0.000 0.814 267 L CB 1.887 44.041 42.059 0.158 0.000 1.257 267 L HN 0.607 nan 8.230 nan 0.000 0.424 268 Y N 1.290 121.556 120.300 -0.056 0.000 2.594 268 Y HA 0.179 4.728 4.550 -0.001 0.000 0.342 268 Y C 0.929 176.806 175.900 -0.037 0.000 1.010 268 Y CA -0.813 57.243 58.100 -0.073 0.000 1.270 268 Y CB 0.765 39.182 38.460 -0.072 0.000 1.125 268 Y HN 0.467 nan 8.280 nan 0.000 0.513 269 T N 0.892 115.456 114.554 0.017 0.000 2.889 269 T HA 0.633 4.982 4.350 -0.001 0.000 0.291 269 T C -0.389 174.338 174.700 0.045 0.000 0.995 269 T CA -0.786 61.336 62.100 0.038 0.000 1.092 269 T CB 1.306 70.184 68.868 0.017 0.000 0.954 269 T HN 0.686 nan 8.240 nan 0.000 0.506 270 E N 1.842 122.075 120.200 0.055 0.000 2.392 270 E HA 0.372 4.721 4.350 -0.001 0.000 0.279 270 E C -1.390 175.242 176.600 0.053 0.000 0.964 270 E CA -1.208 55.225 56.400 0.055 0.000 0.777 270 E CB 1.235 30.967 29.700 0.053 0.000 1.249 270 E HN 0.451 nan 8.360 nan 0.000 0.449 271 N N 0.923 119.655 118.700 0.054 0.000 2.479 271 N HA 0.419 5.158 4.740 -0.001 0.000 0.285 271 N C -0.413 175.121 175.510 0.040 0.000 1.075 271 N CA -0.268 52.809 53.050 0.047 0.000 0.967 271 N CB 2.032 40.546 38.487 0.046 0.000 1.137 271 N HN 0.503 nan 8.380 nan 0.000 0.472 272 V N -1.163 118.763 119.914 0.020 0.000 3.141 272 V HA 0.480 4.599 4.120 -0.001 0.000 0.312 272 V C -0.311 175.774 176.094 -0.016 0.000 1.157 272 V CA -0.991 61.307 62.300 -0.003 0.000 1.041 272 V CB 2.113 33.916 31.823 -0.034 0.000 1.071 272 V HN 0.410 nan 8.190 nan 0.000 0.441 273 D N 2.196 122.572 120.400 -0.039 0.000 2.558 273 D HA 0.253 4.893 4.640 -0.001 0.000 0.221 273 D C -0.351 175.913 176.300 -0.061 0.000 1.143 273 D CA -0.167 53.813 54.000 -0.033 0.000 1.010 273 D CB 0.056 40.842 40.800 -0.023 0.000 1.068 273 D HN 0.623 nan 8.370 nan 0.000 0.511 274 L N 2.866 124.064 121.223 -0.041 0.000 2.410 274 L HA 0.299 4.638 4.340 -0.001 0.000 0.273 274 L C -0.090 176.775 176.870 -0.009 0.000 1.144 274 L CA 0.432 55.245 54.840 -0.046 0.000 0.863 274 L CB 0.409 42.458 42.059 -0.016 0.000 1.140 274 L HN 0.247 nan 8.230 nan 0.000 0.463 275 E N 2.020 122.223 120.200 0.004 0.000 2.392 275 E HA 0.549 4.898 4.350 -0.001 0.000 0.269 275 E C -0.908 175.718 176.600 0.043 0.000 0.924 275 E CA -0.675 55.755 56.400 0.049 0.000 0.784 275 E CB 1.750 31.518 29.700 0.113 0.000 1.292 275 E HN 0.547 nan 8.360 nan 0.000 0.447 276 T N -1.748 112.836 114.554 0.048 0.000 3.327 276 T HA 0.295 4.644 4.350 -0.001 0.000 0.373 276 T C -2.418 172.322 174.700 0.067 0.000 1.589 276 T CA -1.721 60.414 62.100 0.059 0.000 1.497 276 T CB 0.624 69.536 68.868 0.073 0.000 1.032 276 T HN 0.071 nan 8.240 nan 0.000 0.640 277 P HA -0.009 nan 4.420 nan 0.000 0.220 277 P C 0.662 178.003 177.300 0.069 0.000 1.148 277 P CA 1.175 64.305 63.100 0.049 0.000 0.803 277 P CB 0.099 31.810 31.700 0.019 0.000 0.782 278 D N -3.117 117.358 120.400 0.126 0.000 2.594 278 D HA 0.051 4.691 4.640 -0.001 0.000 0.256 278 D C -0.130 176.239 176.300 0.116 0.000 1.393 278 D CA -0.186 53.864 54.000 0.084 0.000 0.797 278 D CB -0.547 40.320 40.800 0.111 0.000 1.110 278 D HN 0.098 nan 8.370 nan 0.000 0.495 279 T N -2.566 112.077 114.554 0.149 0.000 2.865 279 T HA 0.644 4.993 4.350 -0.001 0.000 0.294 279 T C -0.631 174.189 174.700 0.200 0.000 1.119 279 T CA -0.842 61.365 62.100 0.178 0.000 1.007 279 T CB 2.513 71.483 68.868 0.170 0.000 1.225 279 T HN 0.307 nan 8.240 nan 0.000 0.515 280 H N -0.293 118.820 119.070 0.072 0.000 2.985 280 H HA 0.548 5.104 4.556 -0.001 0.000 0.360 280 H C -1.139 174.208 175.328 0.032 0.000 1.221 280 H CA -1.348 54.722 56.048 0.036 0.000 1.121 280 H CB 0.812 30.577 29.762 0.004 0.000 1.854 280 H HN 0.509 nan 8.280 nan 0.000 0.551 281 I N 2.233 122.808 120.570 0.009 0.000 2.496 281 I HA -0.045 4.124 4.170 -0.001 0.000 0.285 281 I C 1.221 177.303 176.117 -0.058 0.000 1.080 281 I CA -0.083 61.190 61.300 -0.045 0.000 1.404 281 I CB 1.361 39.350 38.000 -0.017 0.000 1.403 281 I HN 0.572 nan 8.210 nan 0.000 0.539 282 V N 8.069 127.929 119.914 -0.091 0.000 3.612 282 V HA 0.175 4.294 4.120 -0.001 0.000 0.268 282 V C -0.692 175.434 176.094 0.055 0.000 1.365 282 V CA 0.222 62.495 62.300 -0.043 0.000 1.044 282 V CB 0.265 32.017 31.823 -0.118 0.000 0.820 282 V HN 0.692 nan 8.190 nan 0.000 0.444 283 Y N 2.211 122.471 120.300 -0.066 0.000 2.401 283 Y HA 0.598 5.148 4.550 -0.001 0.000 0.330 283 Y C -0.630 175.240 175.900 -0.050 0.000 1.071 283 Y CA -1.267 56.803 58.100 -0.049 0.000 1.049 283 Y CB 1.263 39.691 38.460 -0.053 0.000 1.239 283 Y HN 0.298 nan 8.280 nan 0.000 0.437 284 K N 3.135 123.028 120.400 -0.845 0.000 2.512 284 K HA 0.863 5.183 4.320 -0.001 0.000 0.263 284 K C -0.561 175.460 176.600 -0.964 0.000 0.966 284 K CA -0.535 55.343 56.287 -0.681 0.000 0.851 284 K CB 1.894 34.215 32.500 -0.299 0.000 1.395 284 K HN 0.479 nan 8.250 nan 0.000 0.440 285 A N 1.282 123.789 122.820 -0.521 0.000 1.969 285 A HA 0.181 4.501 4.320 -0.001 0.000 0.218 285 A C 0.944 178.408 177.584 -0.200 0.000 1.169 285 A CA 1.759 53.632 52.037 -0.273 0.000 0.635 285 A CB -0.625 18.339 19.000 -0.059 0.000 0.810 285 A HN 0.875 nan 8.150 nan 0.000 0.445 286 G N -2.710 105.978 108.800 -0.187 0.000 2.947 286 G HA2 0.374 4.334 3.960 -0.001 0.000 0.293 286 G HA3 0.374 4.334 3.960 -0.001 0.000 0.293 286 G C 0.676 175.508 174.900 -0.114 0.000 1.243 286 G CA 0.760 45.788 45.100 -0.119 0.000 0.802 286 G HN 0.374 nan 8.290 nan 0.000 0.560 287 T N -1.954 112.556 114.554 -0.073 0.000 3.043 287 T HA 0.076 4.425 4.350 -0.001 0.000 0.263 287 T C 0.717 175.386 174.700 -0.051 0.000 1.094 287 T CA 1.065 63.130 62.100 -0.057 0.000 1.127 287 T CB -0.080 68.767 68.868 -0.035 0.000 0.905 287 T HN 0.371 nan 8.240 nan 0.000 0.490 288 D N 3.233 123.602 120.400 -0.052 0.000 2.417 288 D HA 0.090 4.729 4.640 -0.001 0.000 0.250 288 D C 0.420 176.689 176.300 -0.051 0.000 1.166 288 D CA -0.182 53.794 54.000 -0.041 0.000 0.881 288 D CB 0.687 41.466 40.800 -0.036 0.000 1.164 288 D HN 0.412 nan 8.370 nan 0.000 0.467 289 D N 1.046 121.426 120.400 -0.034 0.000 2.440 289 D HA 0.043 4.682 4.640 -0.001 0.000 0.216 289 D C -0.238 176.051 176.300 -0.018 0.000 1.150 289 D CA -0.399 53.581 54.000 -0.033 0.000 0.832 289 D CB -0.282 40.505 40.800 -0.021 0.000 0.992 289 D HN 0.100 nan 8.370 nan 0.000 0.502 290 S N 0.092 115.785 115.700 -0.011 0.000 2.584 290 S HA 0.233 4.702 4.470 -0.001 0.000 0.270 290 S C 0.341 174.941 174.600 0.000 0.000 1.346 290 S CA -0.523 57.683 58.200 0.011 0.000 1.018 290 S CB 0.855 64.072 63.200 0.028 0.000 0.899 290 S HN 0.174 nan 8.310 nan 0.000 0.542 291 S N 2.242 117.969 115.700 0.044 0.000 2.537 291 S HA 0.402 4.871 4.470 -0.001 0.000 0.286 291 S C 0.302 174.907 174.600 0.009 0.000 1.299 291 S CA -0.438 57.795 58.200 0.054 0.000 1.067 291 S CB -0.038 63.267 63.200 0.175 0.000 0.864 291 S HN 0.833 nan 8.310 nan 0.000 0.494 292 S N 0.985 116.524 115.700 -0.268 0.000 2.587 292 S HA 0.425 4.894 4.470 -0.001 0.000 0.269 292 S C 0.689 174.595 174.600 -1.156 0.000 1.154 292 S CA -0.337 57.515 58.200 -0.581 0.000 0.824 292 S CB 1.053 64.086 63.200 -0.278 0.000 1.118 292 S HN 0.391 nan 8.310 nan 0.000 0.462 293 S N 0.145 114.985 115.700 -1.433 0.000 2.359 293 S HA -0.131 4.338 4.470 -0.001 0.000 0.224 293 S C 1.706 175.890 174.600 -0.693 0.000 1.035 293 S CA 1.726 59.170 58.200 -1.260 0.000 1.018 293 S CB -0.794 62.010 63.200 -0.661 0.000 0.876 293 S HN 0.751 nan 8.310 nan 0.000 0.448 294 I N 2.507 122.798 120.570 -0.465 0.000 2.361 294 I HA -0.048 4.121 4.170 -0.001 0.000 0.251 294 I C 1.300 177.261 176.117 -0.260 0.000 1.133 294 I CA 1.292 62.420 61.300 -0.287 0.000 1.413 294 I CB -0.471 37.415 38.000 -0.189 0.000 1.073 294 I HN 0.228 nan 8.210 nan 0.000 0.424 295 N N 0.086 118.601 118.700 -0.308 0.000 2.461 295 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 295 N C 1.478 176.850 175.510 -0.229 0.000 1.134 295 N CA 0.236 53.152 53.050 -0.223 0.000 0.878 295 N CB -0.057 38.321 38.487 -0.182 0.000 0.972 295 N HN 0.231 nan 8.380 nan 0.000 0.456 296 L N -0.241 120.780 121.223 -0.336 0.000 2.201 296 L HA 0.037 4.376 4.340 -0.001 0.000 0.212 296 L C 1.899 178.647 176.870 -0.203 0.000 1.105 296 L CA 1.230 55.886 54.840 -0.308 0.000 0.775 296 L CB -1.100 40.668 42.059 -0.485 0.000 0.913 296 L HN 0.115 nan 8.230 nan 0.000 0.440 297 G N -1.971 106.730 108.800 -0.166 0.000 3.233 297 G HA2 0.022 3.981 3.960 -0.001 0.000 0.234 297 G HA3 0.022 3.981 3.960 -0.001 0.000 0.234 297 G C 0.607 175.510 174.900 0.005 0.000 1.137 297 G CA -0.378 44.670 45.100 -0.087 0.000 0.763 297 G HN 0.298 nan 8.290 nan 0.000 0.549 298 Q N 0.394 120.189 119.800 -0.008 0.000 2.342 298 Q HA 0.065 4.404 4.340 -0.001 0.000 0.330 298 Q C -0.246 175.775 176.000 0.036 0.000 1.117 298 Q CA 0.897 56.712 55.803 0.020 0.000 1.010 298 Q CB 0.367 29.088 28.738 -0.028 0.000 1.204 298 Q HN 0.429 nan 8.270 nan 0.000 0.400 299 Q N 0.443 120.280 119.800 0.062 0.000 2.337 299 Q HA 0.680 5.019 4.340 -0.001 0.000 0.266 299 Q C -1.307 174.677 176.000 -0.027 0.000 1.023 299 Q CA -0.612 55.199 55.803 0.013 0.000 0.829 299 Q CB 2.135 30.883 28.738 0.018 0.000 1.306 299 Q HN 0.667 nan 8.270 nan 0.000 0.449 300 A N 2.479 125.271 122.820 -0.047 0.000 2.337 300 A HA 0.851 5.170 4.320 -0.001 0.000 0.331 300 A C -1.070 176.422 177.584 -0.153 0.000 1.137 300 A CA -0.610 51.396 52.037 -0.051 0.000 0.807 300 A CB 1.326 20.407 19.000 0.135 0.000 1.250 300 A HN 0.784 nan 8.150 nan 0.000 0.468 301 M N 2.488 121.943 119.600 -0.240 0.000 2.518 301 M HA 0.499 4.979 4.480 -0.001 0.000 0.300 301 M C -2.707 173.564 176.300 -0.048 0.000 1.175 301 M CA -2.281 52.894 55.300 -0.209 0.000 0.890 301 M CB 2.929 35.355 32.600 -0.288 0.000 1.710 301 M HN 0.449 nan 8.290 nan 0.000 0.453 302 P HA 0.086 nan 4.420 nan 0.000 0.271 302 P C -1.309 176.094 177.300 0.171 0.000 1.218 302 P CA -0.126 63.095 63.100 0.202 0.000 0.780 302 P CB 0.236 32.061 31.700 0.209 0.000 0.901 303 N N 2.247 121.054 118.700 0.177 0.000 2.416 303 N HA 0.055 4.794 4.740 -0.001 0.000 0.246 303 N C 0.613 176.110 175.510 -0.022 0.000 1.260 303 N CA 0.126 53.262 53.050 0.143 0.000 0.897 303 N CB 0.055 38.622 38.487 0.133 0.000 1.110 303 N HN 0.284 nan 8.380 nan 0.000 0.439 304 R N 1.801 122.234 120.500 -0.111 0.000 2.623 304 R HA 0.101 4.440 4.340 -0.001 0.000 0.271 304 R C -1.897 174.284 176.300 -0.198 0.000 1.043 304 R CA -0.891 55.072 56.100 -0.228 0.000 1.083 304 R CB -0.146 29.929 30.300 -0.376 0.000 0.974 304 R HN 0.429 nan 8.270 nan 0.000 0.436 305 P HA -0.012 nan 4.420 nan 0.000 0.269 305 P C -0.865 176.273 177.300 -0.271 0.000 1.209 305 P CA -0.021 62.835 63.100 -0.406 0.000 0.776 305 P CB 0.570 32.000 31.700 -0.451 0.000 0.876 306 N N 1.743 120.227 118.700 -0.359 0.000 2.653 306 N HA 0.193 4.932 4.740 -0.001 0.000 0.261 306 N C -1.555 173.845 175.510 -0.183 0.000 1.216 306 N CA -0.428 52.531 53.050 -0.152 0.000 0.784 306 N CB -0.007 38.485 38.487 0.009 0.000 1.327 306 N HN 0.132 nan 8.380 nan 0.000 0.539 307 Y N 2.088 122.448 120.300 0.101 0.000 2.411 307 Y HA 0.373 4.923 4.550 -0.001 0.000 0.333 307 Y C 0.714 176.734 175.900 0.200 0.000 1.186 307 Y CA 0.137 58.354 58.100 0.196 0.000 1.381 307 Y CB 0.771 39.327 38.460 0.160 0.000 1.273 307 Y HN 0.304 nan 8.280 nan 0.000 0.546 308 I N 2.646 123.460 120.570 0.407 0.000 2.478 308 I HA 0.598 4.767 4.170 -0.001 0.000 0.287 308 I C 0.204 176.256 176.117 -0.109 0.000 1.042 308 I CA -0.334 61.006 61.300 0.067 0.000 1.067 308 I CB 1.808 39.771 38.000 -0.061 0.000 1.233 308 I HN 0.745 nan 8.210 nan 0.000 0.431 309 G N 4.312 113.041 108.800 -0.117 0.000 2.866 309 G HA2 0.670 4.629 3.960 -0.001 0.000 0.289 309 G HA3 0.670 4.629 3.960 -0.001 0.000 0.289 309 G C -1.128 173.628 174.900 -0.239 0.000 1.396 309 G CA -0.607 44.370 45.100 -0.204 0.000 0.848 309 G HN 0.212 nan 8.290 nan 0.000 0.515 310 F N 0.559 120.495 119.950 -0.024 0.000 2.485 310 F HA 0.417 4.943 4.527 -0.001 0.000 0.327 310 F C 1.671 177.473 175.800 0.002 0.000 1.203 310 F CA -0.031 57.999 58.000 0.050 0.000 1.295 310 F CB 0.632 39.781 39.000 0.249 0.000 1.191 310 F HN 0.107 nan 8.300 nan 0.000 0.588 311 R N 0.283 120.929 120.500 0.243 0.000 2.637 311 R HA 0.096 4.436 4.340 -0.001 0.000 0.269 311 R C -0.672 175.626 176.300 -0.003 0.000 1.089 311 R CA -0.908 55.256 56.100 0.107 0.000 1.177 311 R CB 0.203 30.585 30.300 0.136 0.000 1.091 311 R HN 0.506 nan 8.270 nan 0.000 0.540 312 D N 1.075 121.462 120.400 -0.022 0.000 2.648 312 D HA -0.128 4.511 4.640 -0.001 0.000 0.229 312 D C -0.181 176.098 176.300 -0.036 0.000 1.119 312 D CA 1.118 55.085 54.000 -0.056 0.000 0.850 312 D CB 0.016 40.808 40.800 -0.014 0.000 1.169 312 D HN 0.615 nan 8.370 nan 0.000 0.489 313 N N 2.510 121.152 118.700 -0.096 0.000 2.714 313 N HA -0.293 4.446 4.740 -0.001 0.000 0.250 313 N C -0.103 175.453 175.510 0.077 0.000 1.117 313 N CA 0.545 53.599 53.050 0.006 0.000 0.719 313 N CB -1.586 36.994 38.487 0.155 0.000 1.081 313 N HN 0.538 nan 8.380 nan 0.000 0.557 314 F N -1.985 118.029 119.950 0.108 0.000 3.100 314 F HA -0.282 4.245 4.527 -0.001 0.000 0.283 314 F C 0.556 176.414 175.800 0.096 0.000 0.900 314 F CA 0.105 58.154 58.000 0.083 0.000 1.010 314 F CB -1.559 37.461 39.000 0.032 0.000 1.029 314 F HN 0.198 nan 8.300 nan 0.000 0.637 315 I N 0.812 121.512 120.570 0.217 0.000 2.919 315 I HA 0.038 4.207 4.170 -0.001 0.000 0.303 315 I C 1.554 177.789 176.117 0.196 0.000 1.221 315 I CA 1.703 63.117 61.300 0.190 0.000 1.444 315 I CB 0.133 38.216 38.000 0.138 0.000 1.331 315 I HN 0.570 nan 8.210 nan 0.000 0.572 316 G N 4.291 113.187 108.800 0.160 0.000 2.284 316 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.230 316 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.230 316 G C 0.799 175.728 174.900 0.048 0.000 1.021 316 G CA 0.262 45.421 45.100 0.099 0.000 0.619 316 G HN 0.548 nan 8.290 nan 0.000 0.510 317 L N 0.221 121.512 121.223 0.114 0.000 2.056 317 L HA 0.283 4.622 4.340 -0.001 0.000 0.207 317 L C 1.768 178.623 176.870 -0.024 0.000 1.078 317 L CA 1.125 56.037 54.840 0.120 0.000 0.749 317 L CB -0.158 41.989 42.059 0.146 0.000 0.901 317 L HN 0.375 nan 8.230 nan 0.000 0.433 318 M N -1.697 117.787 119.600 -0.194 0.000 2.318 318 M HA 0.224 4.704 4.480 -0.001 0.000 0.347 318 M C -1.084 174.934 176.300 -0.471 0.000 1.175 318 M CA -0.459 54.548 55.300 -0.488 0.000 1.075 318 M CB 1.448 33.611 32.600 -0.730 0.000 1.614 318 M HN -0.188 nan 8.290 nan 0.000 0.456 319 Y N 2.135 122.222 120.300 -0.355 0.000 2.377 319 Y HA 0.233 4.783 4.550 -0.001 0.000 0.330 319 Y C -0.866 174.829 175.900 -0.343 0.000 1.108 319 Y CA 0.638 58.582 58.100 -0.261 0.000 1.308 319 Y CB 0.312 38.638 38.460 -0.223 0.000 1.216 319 Y HN 0.443 nan 8.280 nan 0.000 0.518 320 Y N 0.372 120.828 120.300 0.259 0.000 2.553 320 Y HA 0.231 4.780 4.550 -0.001 0.000 0.347 320 Y C 0.116 176.117 175.900 0.169 0.000 1.019 320 Y CA -1.919 56.315 58.100 0.224 0.000 1.032 320 Y CB 1.745 40.366 38.460 0.267 0.000 1.284 320 Y HN 0.683 nan 8.280 nan 0.000 0.466 321 N N 0.197 119.082 118.700 0.308 0.000 2.725 321 N HA -0.211 4.528 4.740 -0.001 0.000 0.249 321 N C -0.851 174.751 175.510 0.154 0.000 1.103 321 N CA 0.830 54.017 53.050 0.228 0.000 0.707 321 N CB -0.734 37.915 38.487 0.270 0.000 1.043 321 N HN 0.326 nan 8.380 nan 0.000 0.553 322 S N -0.781 114.981 115.700 0.104 0.000 2.789 322 S HA 0.354 4.824 4.470 -0.001 0.000 0.286 322 S C 1.212 175.796 174.600 -0.026 0.000 1.153 322 S CA -0.130 58.116 58.200 0.077 0.000 1.084 322 S CB 0.832 64.152 63.200 0.200 0.000 1.036 322 S HN 0.274 nan 8.310 nan 0.000 0.484 323 T N 2.096 116.630 114.554 -0.032 0.000 2.759 323 T HA -0.025 4.324 4.350 -0.001 0.000 0.269 323 T C 1.707 176.340 174.700 -0.112 0.000 1.042 323 T CA 1.371 63.431 62.100 -0.067 0.000 1.140 323 T CB -0.550 68.292 68.868 -0.044 0.000 0.864 323 T HN 0.692 nan 8.240 nan 0.000 0.455 324 G N 0.602 109.330 108.800 -0.121 0.000 3.141 324 G HA2 0.220 4.180 3.960 -0.001 0.000 0.218 324 G HA3 0.220 4.180 3.960 -0.001 0.000 0.218 324 G C 0.467 175.223 174.900 -0.239 0.000 1.170 324 G CA -0.492 44.522 45.100 -0.145 0.000 0.769 324 G HN 0.561 nan 8.290 nan 0.000 0.546 325 N N -0.054 118.455 118.700 -0.319 0.000 2.622 325 N HA 0.270 5.010 4.740 -0.001 0.000 0.304 325 N C -0.387 174.835 175.510 -0.479 0.000 1.844 325 N CA -0.277 52.470 53.050 -0.504 0.000 0.886 325 N CB 0.888 38.771 38.487 -1.008 0.000 1.366 325 N HN 0.143 nan 8.380 nan 0.000 0.491 326 M N 1.061 120.415 119.600 -0.409 0.000 2.200 326 M HA 0.334 4.814 4.480 -0.001 0.000 0.355 326 M C 0.821 176.687 176.300 -0.725 0.000 1.283 326 M CA -0.305 54.706 55.300 -0.482 0.000 1.124 326 M CB 0.537 32.934 32.600 -0.339 0.000 1.625 326 M HN 0.284 nan 8.290 nan 0.000 0.463 327 G N 3.185 111.235 108.800 -1.250 0.000 2.699 327 G HA2 0.419 4.378 3.960 -0.001 0.000 0.246 327 G HA3 0.419 4.378 3.960 -0.001 0.000 0.246 327 G C -1.113 173.365 174.900 -0.702 0.000 1.219 327 G CA -0.608 43.438 45.100 -1.756 0.000 0.866 327 G HN 0.637 nan 8.290 nan 0.000 0.572 328 V N 0.936 120.696 119.914 -0.256 0.000 2.623 328 V HA 0.485 4.605 4.120 -0.001 0.000 0.304 328 V C -0.853 175.440 176.094 0.331 0.000 1.054 328 V CA -0.637 61.677 62.300 0.024 0.000 0.882 328 V CB 1.627 33.451 31.823 0.001 0.000 1.002 328 V HN 0.704 nan 8.190 nan 0.000 0.424 329 L N 4.872 126.271 121.223 0.295 0.000 2.446 329 L HA 0.971 5.310 4.340 -0.001 0.000 0.268 329 L C -0.345 176.647 176.870 0.204 0.000 0.975 329 L CA -0.167 54.850 54.840 0.295 0.000 0.848 329 L CB 1.318 43.491 42.059 0.190 0.000 1.225 329 L HN 0.822 nan 8.230 nan 0.000 0.410 330 A N 3.175 126.129 122.820 0.223 0.000 2.475 330 A HA 0.800 5.120 4.320 -0.001 0.000 0.301 330 A C -0.006 177.729 177.584 0.252 0.000 1.059 330 A CA -0.266 51.889 52.037 0.197 0.000 0.710 330 A CB 1.258 20.336 19.000 0.130 0.000 1.288 330 A HN 1.000 nan 8.150 nan 0.000 0.408 331 G N 0.320 109.251 108.800 0.220 0.000 2.272 331 G HA2 0.294 4.253 3.960 -0.001 0.000 0.247 331 G HA3 0.294 4.253 3.960 -0.001 0.000 0.247 331 G C 0.604 175.510 174.900 0.010 0.000 1.272 331 G CA 0.622 45.770 45.100 0.080 0.000 0.921 331 G HN 1.001 nan 8.290 nan 0.000 0.495 332 Q N 2.342 122.098 119.800 -0.073 0.000 2.082 332 Q HA -0.124 4.215 4.340 -0.001 0.000 0.211 332 Q C 1.754 177.741 176.000 -0.022 0.000 1.002 332 Q CA 1.932 57.710 55.803 -0.042 0.000 0.868 332 Q CB -0.165 28.523 28.738 -0.083 0.000 0.931 332 Q HN 0.794 nan 8.270 nan 0.000 0.414 333 A N -0.259 122.540 122.820 -0.034 0.000 2.286 333 A HA 0.459 4.778 4.320 -0.001 0.000 0.286 333 A C -0.008 177.577 177.584 0.001 0.000 1.097 333 A CA 0.208 52.235 52.037 -0.016 0.000 0.821 333 A CB 0.659 19.645 19.000 -0.023 0.000 1.076 333 A HN 0.753 nan 8.150 nan 0.000 0.490 334 S N -0.646 115.059 115.700 0.008 0.000 3.386 334 S HA -0.137 4.332 4.470 -0.001 0.000 0.403 334 S C 0.397 175.017 174.600 0.033 0.000 0.893 334 S CA 1.558 59.771 58.200 0.021 0.000 1.336 334 S CB -1.864 61.352 63.200 0.028 0.000 0.925 334 S HN 2.322 nan 8.310 nan 0.000 0.589 335 Q N 1.694 121.512 119.800 0.030 0.000 2.903 335 Q HA 0.606 4.946 4.340 -0.001 0.000 0.295 335 Q C 0.831 176.859 176.000 0.047 0.000 1.157 335 Q CA 0.643 56.471 55.803 0.041 0.000 0.930 335 Q CB -0.824 27.933 28.738 0.031 0.000 1.571 335 Q HN 2.246 nan 8.270 nan 0.000 0.440 336 L N 0.958 122.215 121.223 0.057 0.000 2.477 336 L HA 0.461 4.800 4.340 -0.001 0.000 0.272 336 L C 0.539 177.458 176.870 0.082 0.000 1.157 336 L CA -0.395 54.483 54.840 0.064 0.000 0.889 336 L CB -0.022 42.081 42.059 0.073 0.000 1.158 336 L HN 0.696 nan 8.230 nan 0.000 0.473 337 N N 3.182 121.923 118.700 0.068 0.000 2.452 337 N HA 0.344 5.083 4.740 -0.001 0.000 0.266 337 N C 1.025 176.610 175.510 0.125 0.000 1.209 337 N CA 0.600 53.698 53.050 0.079 0.000 0.929 337 N CB 1.540 40.044 38.487 0.027 0.000 1.063 337 N HN 0.838 nan 8.380 nan 0.000 0.472 338 A N 3.555 126.471 122.820 0.161 0.000 2.169 338 A HA 0.088 4.407 4.320 -0.001 0.000 0.212 338 A C 0.528 178.311 177.584 0.332 0.000 1.153 338 A CA 0.159 52.329 52.037 0.222 0.000 0.756 338 A CB 0.196 19.296 19.000 0.166 0.000 0.813 338 A HN 0.435 nan 8.150 nan 0.000 0.471 339 V N 1.302 121.359 119.914 0.239 0.000 2.408 339 V HA 0.294 4.413 4.120 -0.001 0.000 0.267 339 V C -0.543 175.562 176.094 0.019 0.000 1.047 339 V CA -0.081 62.346 62.300 0.211 0.000 0.937 339 V CB 1.130 32.977 31.823 0.040 0.000 0.999 339 V HN 0.100 nan 8.190 nan 0.000 0.472 340 V N 4.764 124.619 119.914 -0.099 0.000 2.409 340 V HA 0.452 4.572 4.120 -0.001 0.000 0.290 340 V C -0.423 175.524 176.094 -0.244 0.000 1.017 340 V CA -0.514 61.577 62.300 -0.348 0.000 0.841 340 V CB 1.707 33.141 31.823 -0.648 0.000 1.003 340 V HN 0.832 nan 8.190 nan 0.000 0.426 341 D N 3.584 123.892 120.400 -0.154 0.000 2.340 341 D HA 0.761 5.400 4.640 -0.001 0.000 0.243 341 D C -0.906 175.417 176.300 0.037 0.000 0.988 341 D CA -0.292 53.712 54.000 0.007 0.000 0.959 341 D CB 2.124 42.841 40.800 -0.138 0.000 1.226 341 D HN 0.355 nan 8.370 nan 0.000 0.509 342 L N 1.708 123.010 121.223 0.131 0.000 2.388 342 L HA 0.317 4.656 4.340 -0.001 0.000 0.264 342 L C 1.253 178.194 176.870 0.118 0.000 0.998 342 L CA -0.805 54.095 54.840 0.100 0.000 0.817 342 L CB 2.229 44.357 42.059 0.116 0.000 1.338 342 L HN 0.259 nan 8.230 nan 0.000 0.414 343 Q N 1.091 120.942 119.800 0.085 0.000 2.364 343 Q HA -0.118 4.221 4.340 -0.001 0.000 0.207 343 Q C 0.321 176.391 176.000 0.118 0.000 0.970 343 Q CA 1.112 56.969 55.803 0.090 0.000 0.888 343 Q CB 0.077 28.844 28.738 0.048 0.000 0.951 343 Q HN 0.743 nan 8.270 nan 0.000 0.469 344 D N -0.691 119.784 120.400 0.125 0.000 2.388 344 D HA 0.030 4.669 4.640 -0.001 0.000 0.221 344 D C 0.362 176.767 176.300 0.174 0.000 1.133 344 D CA -0.166 53.927 54.000 0.155 0.000 0.831 344 D CB -0.074 40.810 40.800 0.140 0.000 0.962 344 D HN -0.048 nan 8.370 nan 0.000 0.502 345 R N 0.295 120.901 120.500 0.176 0.000 2.536 345 R HA 0.378 4.717 4.340 -0.001 0.000 0.279 345 R C -0.880 175.531 176.300 0.186 0.000 1.001 345 R CA -0.644 55.557 56.100 0.169 0.000 1.027 345 R CB 0.680 31.103 30.300 0.205 0.000 1.096 345 R HN -0.136 nan 8.270 nan 0.000 0.502 346 N N 1.506 120.280 118.700 0.122 0.000 2.746 346 N HA 0.128 4.867 4.740 -0.001 0.000 0.250 346 N C -0.451 175.085 175.510 0.042 0.000 1.146 346 N CA -0.207 52.886 53.050 0.071 0.000 0.828 346 N CB 1.451 39.896 38.487 -0.070 0.000 1.158 346 N HN 0.577 nan 8.380 nan 0.000 0.519 347 T N 0.849 115.454 114.554 0.085 0.000 2.821 347 T HA -0.043 4.306 4.350 -0.001 0.000 0.267 347 T C 1.353 176.014 174.700 -0.064 0.000 1.046 347 T CA 1.028 63.125 62.100 -0.005 0.000 1.139 347 T CB 0.256 69.073 68.868 -0.086 0.000 0.871 347 T HN 0.423 nan 8.240 nan 0.000 0.454 348 E N 0.936 121.127 120.200 -0.015 0.000 2.047 348 E HA -0.067 4.282 4.350 -0.001 0.000 0.191 348 E C 2.235 178.849 176.600 0.023 0.000 0.987 348 E CA 0.794 57.209 56.400 0.025 0.000 0.799 348 E CB -0.470 29.291 29.700 0.101 0.000 0.752 348 E HN 0.296 nan 8.360 nan 0.000 0.449 349 L N 1.146 122.347 121.223 -0.037 0.000 2.056 349 L HA -0.094 4.245 4.340 -0.001 0.000 0.207 349 L C 2.470 179.326 176.870 -0.023 0.000 1.078 349 L CA 1.677 56.478 54.840 -0.065 0.000 0.749 349 L CB -0.784 41.215 42.059 -0.101 0.000 0.901 349 L HN -0.016 nan 8.230 nan 0.000 0.433 350 S N -1.633 114.075 115.700 0.014 0.000 2.374 350 S HA -0.321 4.148 4.470 -0.001 0.000 0.227 350 S C 2.113 176.754 174.600 0.068 0.000 1.037 350 S CA 1.781 60.021 58.200 0.067 0.000 1.024 350 S CB -0.614 62.617 63.200 0.051 0.000 0.861 350 S HN 0.648 nan 8.310 nan 0.000 0.456 351 Y N 1.499 121.752 120.300 -0.080 0.000 2.263 351 Y HA -0.070 4.479 4.550 -0.001 0.000 0.292 351 Y C 2.658 178.491 175.900 -0.111 0.000 1.130 351 Y CA 1.704 59.739 58.100 -0.108 0.000 1.179 351 Y CB -0.213 38.181 38.460 -0.110 0.000 0.998 351 Y HN 0.258 nan 8.280 nan 0.000 0.532 352 Q N -0.311 119.490 119.800 0.002 0.000 2.077 352 Q HA -0.202 4.137 4.340 -0.001 0.000 0.206 352 Q C 2.151 178.072 176.000 -0.131 0.000 0.989 352 Q CA 1.381 57.145 55.803 -0.065 0.000 0.853 352 Q CB -0.582 28.080 28.738 -0.127 0.000 0.907 352 Q HN 0.412 nan 8.270 nan 0.000 0.418 353 L N 0.038 121.152 121.223 -0.182 0.000 2.131 353 L HA -0.085 4.254 4.340 -0.001 0.000 0.206 353 L C 2.305 178.926 176.870 -0.414 0.000 1.087 353 L CA 0.913 55.664 54.840 -0.149 0.000 0.767 353 L CB -1.414 40.671 42.059 0.043 0.000 0.917 353 L HN 0.207 nan 8.230 nan 0.000 0.441 354 L N -0.696 120.092 121.223 -0.725 0.000 2.012 354 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 354 L C 2.365 178.877 176.870 -0.597 0.000 1.073 354 L CA 1.779 55.976 54.840 -1.072 0.000 0.748 354 L CB -0.557 41.053 42.059 -0.748 0.000 0.891 354 L HN 0.164 nan 8.230 nan 0.000 0.431 355 L N -0.386 120.550 121.223 -0.479 0.000 2.042 355 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 355 L C 2.351 179.136 176.870 -0.142 0.000 1.076 355 L CA 1.745 56.401 54.840 -0.306 0.000 0.749 355 L CB -0.763 41.147 42.059 -0.249 0.000 0.893 355 L HN 0.438 nan 8.230 nan 0.000 0.432 356 D N -0.412 119.954 120.400 -0.056 0.000 2.144 356 D HA -0.195 4.444 4.640 -0.001 0.000 0.199 356 D C 2.245 178.546 176.300 0.001 0.000 0.984 356 D CA 1.409 55.432 54.000 0.038 0.000 0.834 356 D CB 0.103 41.049 40.800 0.243 0.000 0.955 356 D HN 0.296 nan 8.370 nan 0.000 0.465 357 S N -0.908 114.748 115.700 -0.073 0.000 2.453 357 S HA -0.067 4.402 4.470 -0.001 0.000 0.231 357 S C 1.677 176.262 174.600 -0.025 0.000 1.005 357 S CA 0.313 58.498 58.200 -0.025 0.000 0.949 357 S CB -0.138 63.023 63.200 -0.065 0.000 0.774 357 S HN 0.200 nan 8.310 nan 0.000 0.510 358 L N 0.896 122.073 121.223 -0.077 0.000 2.554 358 L HA 0.531 4.871 4.340 -0.001 0.000 0.225 358 L C 1.216 178.073 176.870 -0.021 0.000 1.104 358 L CA 0.725 55.535 54.840 -0.051 0.000 0.866 358 L CB -0.256 41.747 42.059 -0.093 0.000 1.047 358 L HN 0.624 nan 8.230 nan 0.000 0.468 359 G N -1.959 106.832 108.800 -0.015 0.000 2.427 359 G HA2 0.170 4.129 3.960 -0.001 0.000 0.306 359 G HA3 0.170 4.129 3.960 -0.001 0.000 0.306 359 G C -1.730 173.170 174.900 -0.000 0.000 1.280 359 G CA -0.511 44.587 45.100 -0.005 0.000 0.837 359 G HN -0.181 nan 8.290 nan 0.000 0.482 360 D N -0.334 120.064 120.400 -0.004 0.000 2.428 360 D HA 0.427 5.067 4.640 -0.001 0.000 0.221 360 D C 1.245 177.543 176.300 -0.004 0.000 1.123 360 D CA -0.656 53.338 54.000 -0.010 0.000 0.869 360 D CB 1.505 42.291 40.800 -0.022 0.000 1.032 360 D HN 0.228 nan 8.370 nan 0.000 0.506 361 R N 1.325 121.820 120.500 -0.009 0.000 2.307 361 R HA -0.023 4.317 4.340 -0.001 0.000 0.199 361 R C 1.837 178.152 176.300 0.026 0.000 1.000 361 R CA 0.973 57.081 56.100 0.012 0.000 1.023 361 R CB -0.669 29.612 30.300 -0.031 0.000 0.908 361 R HN 0.527 nan 8.270 nan 0.000 0.473 362 T N -2.493 112.046 114.554 -0.024 0.000 3.118 362 T HA 0.104 4.454 4.350 -0.001 0.000 0.260 362 T C 0.707 175.328 174.700 -0.132 0.000 1.139 362 T CA 0.164 62.228 62.100 -0.060 0.000 1.085 362 T CB 0.031 68.838 68.868 -0.103 0.000 0.934 362 T HN 0.012 nan 8.240 nan 0.000 0.518 363 R N 0.577 121.043 120.500 -0.056 0.000 2.457 363 R HA 0.479 4.818 4.340 -0.001 0.000 0.284 363 R C -1.099 175.282 176.300 0.136 0.000 1.024 363 R CA -0.707 55.342 56.100 -0.084 0.000 1.025 363 R CB 0.629 30.896 30.300 -0.054 0.000 1.063 363 R HN 0.209 nan 8.270 nan 0.000 0.493 364 Y N 1.610 121.846 120.300 -0.107 0.000 2.387 364 Y HA 0.354 4.903 4.550 -0.001 0.000 0.336 364 Y C -0.381 175.571 175.900 0.087 0.000 1.067 364 Y CA -1.555 56.479 58.100 -0.111 0.000 1.114 364 Y CB 1.165 39.325 38.460 -0.500 0.000 1.208 364 Y HN 0.477 nan 8.280 nan 0.000 0.458 365 F N 2.724 122.755 119.950 0.135 0.000 2.553 365 F HA 0.210 4.737 4.527 -0.001 0.000 0.335 365 F C 0.941 176.772 175.800 0.051 0.000 1.148 365 F CA -0.626 57.418 58.000 0.074 0.000 0.963 365 F CB 1.508 40.549 39.000 0.068 0.000 1.217 365 F HN 0.574 nan 8.300 nan 0.000 0.441 366 S N 4.861 120.679 115.700 0.198 0.000 2.423 366 S HA -0.236 4.233 4.470 -0.001 0.000 0.231 366 S C 1.942 176.317 174.600 -0.375 0.000 1.014 366 S CA 1.091 59.283 58.200 -0.013 0.000 0.965 366 S CB -0.245 62.995 63.200 0.066 0.000 0.785 366 S HN 0.914 nan 8.310 nan 0.000 0.495 367 M N 0.067 119.101 119.600 -0.943 0.000 2.106 367 M HA -0.053 4.427 4.480 -0.001 0.000 0.259 367 M C 0.689 176.424 176.300 -0.942 0.000 1.068 367 M CA 1.701 56.264 55.300 -1.227 0.000 1.100 367 M CB -0.173 31.210 32.600 -2.028 0.000 1.351 367 M HN 0.555 nan 8.290 nan 0.000 0.404 368 W N -0.097 120.905 121.300 -0.495 0.000 3.067 368 W HA 0.309 4.968 4.660 -0.001 0.000 0.417 368 W C 0.263 176.477 176.519 -0.507 0.000 1.029 368 W CA -0.919 56.307 57.345 -0.198 0.000 1.992 368 W CB -0.293 29.095 29.460 -0.119 0.000 1.122 368 W HN 0.253 nan 8.180 nan 0.000 0.681 369 N N 1.880 120.302 118.700 -0.463 0.000 2.716 369 N HA -0.268 4.472 4.740 -0.001 0.000 0.250 369 N C 0.025 175.388 175.510 -0.246 0.000 1.033 369 N CA 0.883 53.613 53.050 -0.534 0.000 0.727 369 N CB -0.901 36.856 38.487 -1.218 0.000 0.950 369 N HN 0.437 nan 8.380 nan 0.000 0.541 370 Q N 0.160 119.933 119.800 -0.045 0.000 2.490 370 Q HA 0.515 4.854 4.340 -0.001 0.000 0.226 370 Q C -0.923 175.083 176.000 0.010 0.000 1.132 370 Q CA -0.112 55.734 55.803 0.071 0.000 0.928 370 Q CB 0.250 29.148 28.738 0.267 0.000 1.299 370 Q HN 0.378 nan 8.270 nan 0.000 0.528 371 A N 4.238 126.975 122.820 -0.139 0.000 2.768 371 A HA 0.243 4.562 4.320 -0.001 0.000 0.298 371 A C -0.965 176.464 177.584 -0.259 0.000 1.159 371 A CA -0.553 51.173 52.037 -0.518 0.000 0.783 371 A CB 1.069 19.592 19.000 -0.796 0.000 1.333 371 A HN 0.533 nan 8.150 nan 0.000 0.412 372 V N 2.737 122.627 119.914 -0.040 0.000 2.694 372 V HA 0.048 4.167 4.120 -0.001 0.000 0.306 372 V C 0.155 176.266 176.094 0.028 0.000 1.054 372 V CA 0.261 62.575 62.300 0.023 0.000 1.161 372 V CB 0.408 32.266 31.823 0.057 0.000 0.916 372 V HN 0.796 nan 8.190 nan 0.000 0.490 373 D N 4.604 125.014 120.400 0.017 0.000 2.458 373 D HA 0.250 4.889 4.640 -0.001 0.000 0.243 373 D C 0.136 176.573 176.300 0.228 0.000 1.146 373 D CA 0.657 54.710 54.000 0.089 0.000 0.877 373 D CB 1.087 41.868 40.800 -0.032 0.000 1.176 373 D HN 0.835 nan 8.370 nan 0.000 0.461 374 S N 1.541 117.433 115.700 0.320 0.000 2.720 374 S HA 0.764 5.233 4.470 -0.001 0.000 0.287 374 S C -0.937 173.714 174.600 0.085 0.000 1.168 374 S CA -0.966 57.355 58.200 0.202 0.000 0.832 374 S CB 1.749 64.971 63.200 0.036 0.000 1.166 374 S HN 0.540 nan 8.310 nan 0.000 0.493 375 Y N -1.266 118.962 120.300 -0.119 0.000 2.615 375 Y HA 0.714 5.263 4.550 -0.001 0.000 0.341 375 Y C -1.032 174.737 175.900 -0.218 0.000 1.089 375 Y CA -1.280 56.646 58.100 -0.289 0.000 1.049 375 Y CB 0.696 38.810 38.460 -0.576 0.000 1.296 375 Y HN 0.600 nan 8.280 nan 0.000 0.470 376 D N 2.480 122.888 120.400 0.013 0.000 2.343 376 D HA 0.208 4.847 4.640 -0.001 0.000 0.255 376 D C -1.851 174.522 176.300 0.121 0.000 1.187 376 D CA -2.349 51.666 54.000 0.026 0.000 0.875 376 D CB 1.614 42.406 40.800 -0.013 0.000 1.136 376 D HN 0.354 nan 8.370 nan 0.000 0.469 377 P HA -0.067 nan 4.420 nan 0.000 0.220 377 P C 0.441 177.782 177.300 0.068 0.000 1.148 377 P CA 0.793 63.978 63.100 0.141 0.000 0.803 377 P CB 0.364 32.101 31.700 0.062 0.000 0.782 378 D N -1.520 118.927 120.400 0.080 0.000 2.340 378 D HA 0.021 4.661 4.640 -0.001 0.000 0.220 378 D C 1.640 178.048 176.300 0.181 0.000 1.039 378 D CA 0.365 54.431 54.000 0.111 0.000 0.866 378 D CB 0.342 41.200 40.800 0.097 0.000 0.913 378 D HN 0.054 nan 8.370 nan 0.000 0.523 379 V N 0.386 120.340 119.914 0.067 0.000 2.575 379 V HA -0.075 4.044 4.120 -0.001 0.000 0.242 379 V C 2.428 178.395 176.094 -0.212 0.000 1.045 379 V CA 0.691 62.948 62.300 -0.072 0.000 1.065 379 V CB -0.021 31.604 31.823 -0.330 0.000 0.717 379 V HN -0.020 nan 8.190 nan 0.000 0.467 380 R N 0.720 121.030 120.500 -0.317 0.000 2.081 380 R HA 0.010 4.349 4.340 -0.001 0.000 0.235 380 R C 0.629 176.763 176.300 -0.277 0.000 1.131 380 R CA 1.609 57.434 56.100 -0.457 0.000 0.960 380 R CB -0.173 29.668 30.300 -0.764 0.000 0.856 380 R HN 0.454 nan 8.270 nan 0.000 0.436 381 I N 1.526 122.003 120.570 -0.154 0.000 2.420 381 I HA 0.258 4.428 4.170 -0.001 0.000 0.282 381 I C -0.663 175.452 176.117 -0.002 0.000 1.019 381 I CA -0.762 60.476 61.300 -0.103 0.000 1.130 381 I CB 1.884 39.834 38.000 -0.083 0.000 1.262 381 I HN 0.007 nan 8.210 nan 0.000 0.454 382 I N 5.929 126.522 120.570 0.038 0.000 2.452 382 I HA 0.087 4.257 4.170 -0.001 0.000 0.287 382 I C 0.676 176.892 176.117 0.165 0.000 1.079 382 I CA 0.189 61.574 61.300 0.140 0.000 1.387 382 I CB 0.536 38.621 38.000 0.142 0.000 1.404 382 I HN 0.612 nan 8.210 nan 0.000 0.522 383 E N 7.121 127.417 120.200 0.160 0.000 2.073 383 E HA 0.117 4.467 4.350 -0.001 0.000 0.269 383 E C -0.774 175.860 176.600 0.056 0.000 0.917 383 E CA -0.572 55.893 56.400 0.109 0.000 0.757 383 E CB 0.732 30.476 29.700 0.074 0.000 1.111 383 E HN 0.435 nan 8.360 nan 0.000 0.410 384 N N 3.955 122.729 118.700 0.124 0.000 2.801 384 N HA -0.009 4.730 4.740 -0.001 0.000 0.235 384 N C 0.060 175.563 175.510 -0.012 0.000 1.069 384 N CA -0.237 52.895 53.050 0.138 0.000 0.946 384 N CB 0.156 38.823 38.487 0.301 0.000 1.212 384 N HN 0.562 nan 8.380 nan 0.000 0.509 385 H N 1.607 120.621 119.070 -0.093 0.000 2.538 385 H HA 0.292 4.847 4.556 -0.001 0.000 0.286 385 H C 0.946 176.186 175.328 -0.148 0.000 1.035 385 H CA 0.050 56.031 56.048 -0.112 0.000 1.169 385 H CB -0.131 29.546 29.762 -0.143 0.000 1.417 385 H HN 0.523 nan 8.280 nan 0.000 0.567 386 G N 1.147 109.847 108.800 -0.165 0.000 2.553 386 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.242 386 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.242 386 G C -0.331 174.447 174.900 -0.203 0.000 1.277 386 G CA 0.473 45.527 45.100 -0.077 0.000 0.910 386 G HN 0.966 nan 8.290 nan 0.000 0.576 387 V N -4.038 115.835 119.914 -0.068 0.000 2.971 387 V HA 0.835 4.954 4.120 -0.001 0.000 0.309 387 V C -0.101 175.971 176.094 -0.036 0.000 1.130 387 V CA -0.500 61.754 62.300 -0.077 0.000 0.964 387 V CB 2.007 33.812 31.823 -0.031 0.000 1.029 387 V HN 0.904 nan 8.190 nan 0.000 0.427 388 E N 2.455 122.628 120.200 -0.045 0.000 2.122 388 E HA 0.172 4.522 4.350 -0.001 0.000 0.288 388 E C -0.476 176.101 176.600 -0.039 0.000 1.260 388 E CA 0.076 56.452 56.400 -0.041 0.000 1.344 388 E CB 0.085 29.755 29.700 -0.050 0.000 1.337 388 E HN 0.860 nan 8.360 nan 0.000 0.484 389 D N 0.523 120.902 120.400 -0.035 0.000 2.491 389 D HA -0.022 4.617 4.640 -0.001 0.000 0.228 389 D C 0.606 176.876 176.300 -0.050 0.000 1.183 389 D CA -0.129 53.845 54.000 -0.044 0.000 0.827 389 D CB 0.381 41.158 40.800 -0.038 0.000 0.989 389 D HN 0.073 nan 8.370 nan 0.000 0.494 390 E N 0.025 120.200 120.200 -0.041 0.000 2.085 390 E HA -0.053 4.296 4.350 -0.001 0.000 0.194 390 E C 0.307 176.880 176.600 -0.046 0.000 0.994 390 E CA 0.698 57.075 56.400 -0.037 0.000 0.801 390 E CB -0.042 29.640 29.700 -0.029 0.000 0.743 390 E HN 0.243 nan 8.360 nan 0.000 0.453 391 L N 1.996 123.188 121.223 -0.052 0.000 2.305 391 L HA 0.252 4.591 4.340 -0.001 0.000 0.281 391 L C -2.089 174.708 176.870 -0.121 0.000 1.085 391 L CA -2.541 52.263 54.840 -0.060 0.000 0.813 391 L CB 0.112 42.147 42.059 -0.040 0.000 1.157 391 L HN -0.051 nan 8.230 nan 0.000 0.436 392 P HA 0.136 nan 4.420 nan 0.000 0.269 392 P C -1.066 175.910 177.300 -0.539 0.000 1.215 392 P CA -0.154 62.719 63.100 -0.378 0.000 0.780 392 P CB 0.537 31.981 31.700 -0.426 0.000 0.898 393 N N 0.970 119.285 118.700 -0.641 0.000 2.296 393 N HA 0.405 5.145 4.740 -0.001 0.000 0.294 393 N C -1.121 174.017 175.510 -0.620 0.000 1.033 393 N CA -0.503 52.270 53.050 -0.462 0.000 0.839 393 N CB 1.267 39.618 38.487 -0.228 0.000 1.395 393 N HN 0.390 nan 8.380 nan 0.000 0.479 394 Y N 0.028 120.207 120.300 -0.201 0.000 2.562 394 Y HA 0.494 5.043 4.550 -0.001 0.000 0.343 394 Y C -0.073 175.477 175.900 -0.584 0.000 1.025 394 Y CA -1.014 56.793 58.100 -0.489 0.000 1.082 394 Y CB 1.320 39.282 38.460 -0.830 0.000 1.264 394 Y HN 0.336 nan 8.280 nan 0.000 0.478 395 C N 2.649 121.682 119.300 -0.445 0.000 2.350 395 C HA 0.633 5.092 4.460 -0.001 0.000 0.348 395 C C -0.682 173.959 174.990 -0.582 0.000 1.260 395 C CA -0.757 58.071 59.018 -0.316 0.000 1.966 395 C CB -1.002 26.648 27.740 -0.150 0.000 2.380 395 C HN 0.548 nan 8.230 nan 0.000 0.535 396 F N 2.147 122.099 119.950 0.003 0.000 2.577 396 F HA 0.544 5.070 4.527 -0.001 0.000 0.318 396 F C -1.888 173.917 175.800 0.008 0.000 1.065 396 F CA -2.233 55.756 58.000 -0.020 0.000 0.929 396 F CB 0.417 39.395 39.000 -0.037 0.000 1.237 396 F HN 0.377 nan 8.300 nan 0.000 0.468 397 P HA 0.094 nan 4.420 nan 0.000 0.270 397 P C 0.658 177.938 177.300 -0.033 0.000 1.223 397 P CA -0.321 62.836 63.100 0.094 0.000 0.785 397 P CB 0.642 32.379 31.700 0.062 0.000 0.923 398 L N 1.514 122.667 121.223 -0.115 0.000 2.127 398 L HA -0.169 4.170 4.340 -0.001 0.000 0.211 398 L C 1.499 178.034 176.870 -0.557 0.000 1.089 398 L CA 1.992 56.711 54.840 -0.201 0.000 0.757 398 L CB -1.321 40.689 42.059 -0.082 0.000 0.899 398 L HN 0.498 nan 8.230 nan 0.000 0.434 399 D N -1.597 118.277 120.400 -0.878 0.000 2.328 399 D HA 0.185 4.824 4.640 -0.001 0.000 0.221 399 D C 1.262 177.287 176.300 -0.457 0.000 1.072 399 D CA 0.600 53.916 54.000 -1.141 0.000 0.850 399 D CB -0.142 39.641 40.800 -1.694 0.000 0.922 399 D HN 0.140 nan 8.370 nan 0.000 0.516 400 A N -1.076 121.583 122.820 -0.269 0.000 2.816 400 A HA -0.203 4.116 4.320 -0.001 0.000 0.270 400 A C 1.117 178.637 177.584 -0.106 0.000 1.413 400 A CA 1.340 53.289 52.037 -0.148 0.000 0.866 400 A CB -1.959 16.930 19.000 -0.184 0.000 1.032 400 A HN 0.348 nan 8.150 nan 0.000 0.642 401 V N -2.938 116.918 119.914 -0.096 0.000 3.161 401 V HA 0.586 4.705 4.120 -0.001 0.000 0.221 401 V C 1.969 178.085 176.094 0.037 0.000 1.296 401 V CA 1.312 63.591 62.300 -0.035 0.000 1.306 401 V CB -0.230 31.557 31.823 -0.060 0.000 1.171 401 V HN 2.470 nan 8.190 nan 0.000 0.513 402 G N 0.553 109.343 108.800 -0.016 0.000 2.503 402 G HA2 0.053 4.013 3.960 -0.001 0.000 0.235 402 G HA3 0.053 4.013 3.960 -0.001 0.000 0.235 402 G C 0.215 175.084 174.900 -0.051 0.000 1.179 402 G CA 0.325 45.420 45.100 -0.009 0.000 0.944 402 G HN 0.968 nan 8.290 nan 0.000 0.580 403 R N 0.191 120.643 120.500 -0.079 0.000 2.543 403 R HA 0.722 5.061 4.340 -0.001 0.000 0.277 403 R C 0.964 177.263 176.300 -0.001 0.000 1.074 403 R CA 1.641 57.704 56.100 -0.061 0.000 1.076 403 R CB -0.187 30.058 30.300 -0.092 0.000 0.993 403 R HN 2.321 nan 8.270 nan 0.000 0.459 404 T N -1.692 112.874 114.554 0.019 0.000 2.865 404 T HA 0.625 4.974 4.350 -0.001 0.000 0.294 404 T C -1.037 173.707 174.700 0.074 0.000 1.119 404 T CA -0.926 61.217 62.100 0.071 0.000 1.007 404 T CB 1.966 70.887 68.868 0.089 0.000 1.225 404 T HN 0.557 nan 8.240 nan 0.000 0.515 405 D N 0.502 120.987 120.400 0.143 0.000 2.494 405 D HA 0.524 5.163 4.640 -0.001 0.000 0.259 405 D C -0.481 175.810 176.300 -0.016 0.000 1.109 405 D CA -0.315 53.683 54.000 -0.005 0.000 1.040 405 D CB 1.834 42.533 40.800 -0.168 0.000 1.175 405 D HN 0.604 nan 8.370 nan 0.000 0.584 406 T N 0.813 115.229 114.554 -0.229 0.000 2.771 406 T HA 0.441 4.790 4.350 -0.001 0.000 0.281 406 T C -0.826 173.669 174.700 -0.340 0.000 0.982 406 T CA -0.357 61.667 62.100 -0.127 0.000 0.978 406 T CB 0.210 69.026 68.868 -0.087 0.000 0.930 406 T HN 0.122 nan 8.240 nan 0.000 0.447 407 Y N 1.902 122.201 120.300 -0.001 0.000 2.462 407 Y HA 0.441 4.991 4.550 -0.001 0.000 0.346 407 Y C 0.373 176.272 175.900 -0.001 0.000 0.976 407 Y CA -1.303 56.792 58.100 -0.008 0.000 1.044 407 Y CB 1.648 40.098 38.460 -0.016 0.000 1.230 407 Y HN 0.550 nan 8.280 nan 0.000 0.455 408 Q N 1.145 121.023 119.800 0.130 0.000 2.226 408 Q HA 0.740 5.079 4.340 -0.001 0.000 0.256 408 Q C -0.101 175.955 176.000 0.095 0.000 0.962 408 Q CA -1.223 54.632 55.803 0.087 0.000 0.887 408 Q CB 1.963 30.732 28.738 0.052 0.000 1.282 408 Q HN 0.851 nan 8.270 nan 0.000 0.449 409 G N 2.296 111.142 108.800 0.077 0.000 2.403 409 G HA2 0.485 4.444 3.960 -0.001 0.000 0.259 409 G HA3 0.485 4.444 3.960 -0.001 0.000 0.259 409 G C -0.264 174.690 174.900 0.091 0.000 1.244 409 G CA -0.739 44.406 45.100 0.074 0.000 0.849 409 G HN 0.739 nan 8.290 nan 0.000 0.532 410 I N -1.154 119.484 120.570 0.114 0.000 2.934 410 I HA 0.865 5.034 4.170 -0.001 0.000 0.306 410 I C -0.758 175.568 176.117 0.347 0.000 1.110 410 I CA -1.457 59.964 61.300 0.202 0.000 1.019 410 I CB 2.872 40.980 38.000 0.181 0.000 1.227 410 I HN 0.572 nan 8.210 nan 0.000 0.434 411 K N 3.128 123.777 120.400 0.415 0.000 2.464 411 K HA 0.835 5.154 4.320 -0.001 0.000 0.253 411 K C -1.146 175.469 176.600 0.026 0.000 0.933 411 K CA -0.863 55.620 56.287 0.326 0.000 0.801 411 K CB 2.192 34.766 32.500 0.124 0.000 1.271 411 K HN 0.792 nan 8.250 nan 0.000 0.430 412 A N 1.524 123.951 122.820 -0.655 0.000 2.454 412 A HA 0.422 4.742 4.320 -0.001 0.000 0.260 412 A C 0.168 177.434 177.584 -0.531 0.000 1.106 412 A CA 0.211 51.494 52.037 -1.256 0.000 0.780 412 A CB -0.717 17.379 19.000 -1.506 0.000 1.044 412 A HN 0.976 nan 8.150 nan 0.000 0.498 419 T N 1.613 116.026 114.554 -0.235 0.000 2.875 419 T HA 0.671 5.020 4.350 -0.001 0.000 0.284 419 T C -0.786 173.720 174.700 -0.322 0.000 0.995 419 T CA -0.441 61.570 62.100 -0.148 0.000 1.060 419 T CB 0.656 69.481 68.868 -0.073 0.000 0.967 419 T HN 0.502 nan 8.240 nan 0.000 0.476 420 W N 2.227 123.534 121.300 0.011 0.000 2.573 420 W HA 0.554 5.214 4.660 -0.001 0.000 0.326 420 W C 0.410 176.938 176.519 0.014 0.000 1.049 420 W CA -0.281 57.072 57.345 0.013 0.000 1.220 420 W CB 2.135 31.605 29.460 0.017 0.000 1.373 420 W HN 0.897 nan 8.180 nan 0.000 0.507 421 T N -0.696 113.998 114.554 0.234 0.000 2.901 421 T HA 0.433 4.782 4.350 -0.001 0.000 0.293 421 T C -0.549 174.242 174.700 0.152 0.000 1.084 421 T CA -1.289 60.898 62.100 0.145 0.000 1.008 421 T CB 1.808 70.716 68.868 0.067 0.000 1.170 421 T HN 0.349 nan 8.240 nan 0.000 0.509 422 K N 0.856 121.320 120.400 0.106 0.000 2.489 422 K HA -0.016 4.303 4.320 -0.001 0.000 0.278 422 K C -0.690 175.960 176.600 0.083 0.000 1.000 422 K CA 0.032 56.373 56.287 0.090 0.000 1.012 422 K CB 0.194 32.731 32.500 0.062 0.000 0.903 422 K HN 0.675 nan 8.250 nan 0.000 0.485 423 D N 3.550 124.003 120.400 0.087 0.000 2.396 423 D HA 0.072 4.712 4.640 -0.001 0.000 0.225 423 D C -0.064 176.269 176.300 0.055 0.000 1.121 423 D CA -0.334 53.709 54.000 0.073 0.000 0.853 423 D CB 0.904 41.756 40.800 0.086 0.000 1.043 423 D HN 0.408 nan 8.370 nan 0.000 0.500 424 D N 1.435 121.861 120.400 0.043 0.000 2.392 424 D HA -0.104 4.535 4.640 -0.001 0.000 0.228 424 D C 1.279 177.598 176.300 0.031 0.000 1.003 424 D CA 0.534 54.554 54.000 0.034 0.000 0.917 424 D CB 0.254 41.070 40.800 0.027 0.000 0.890 424 D HN 0.377 nan 8.370 nan 0.000 0.532 425 S N -0.855 114.865 115.700 0.033 0.000 2.557 425 S HA 0.191 4.660 4.470 -0.001 0.000 0.223 425 S C 0.509 175.128 174.600 0.032 0.000 0.969 425 S CA -0.504 57.713 58.200 0.029 0.000 0.927 425 S CB 0.620 63.836 63.200 0.027 0.000 0.806 425 S HN -0.130 nan 8.310 nan 0.000 0.489 426 V N 2.866 122.803 119.914 0.038 0.000 2.495 426 V HA 0.393 4.512 4.120 -0.001 0.000 0.298 426 V C 0.000 176.119 176.094 0.040 0.000 1.031 426 V CA -1.117 61.208 62.300 0.041 0.000 0.871 426 V CB 1.476 33.328 31.823 0.049 0.000 0.988 426 V HN 0.410 nan 8.190 nan 0.000 0.432 427 N N 2.920 121.644 118.700 0.039 0.000 2.353 427 N HA -0.059 4.681 4.740 -0.001 0.000 0.248 427 N C 0.719 176.256 175.510 0.045 0.000 1.240 427 N CA 0.364 53.437 53.050 0.038 0.000 0.862 427 N CB 0.822 39.333 38.487 0.039 0.000 1.086 427 N HN 0.821 nan 8.380 nan 0.000 0.453 428 D N 1.310 121.734 120.400 0.040 0.000 2.339 428 D HA 0.104 4.743 4.640 -0.001 0.000 0.217 428 D C -0.223 176.099 176.300 0.038 0.000 1.050 428 D CA 0.084 54.108 54.000 0.039 0.000 0.856 428 D CB -0.017 40.801 40.800 0.029 0.000 0.922 428 D HN 0.392 nan 8.370 nan 0.000 0.518 429 A N 0.365 123.211 122.820 0.043 0.000 3.308 429 A HA 0.342 4.661 4.320 -0.001 0.000 0.275 429 A C -0.795 176.828 177.584 0.065 0.000 0.950 429 A CA -0.875 51.186 52.037 0.040 0.000 0.987 429 A CB -0.781 18.234 19.000 0.026 0.000 1.146 429 A HN 0.087 nan 8.150 nan 0.000 0.488 430 N N 1.529 120.287 118.700 0.098 0.000 2.488 430 N HA 0.317 5.056 4.740 -0.001 0.000 0.274 430 N C -0.607 174.998 175.510 0.158 0.000 1.111 430 N CA -0.272 52.847 53.050 0.114 0.000 0.974 430 N CB 0.917 39.470 38.487 0.110 0.000 1.089 430 N HN 0.288 nan 8.380 nan 0.000 0.465 431 E N 2.671 122.948 120.200 0.129 0.000 2.052 431 E HA 0.247 4.596 4.350 -0.001 0.000 0.283 431 E C -0.392 176.284 176.600 0.126 0.000 1.071 431 E CA -0.008 56.476 56.400 0.140 0.000 0.851 431 E CB 0.576 30.344 29.700 0.112 0.000 1.066 431 E HN 0.479 nan 8.360 nan 0.000 0.396 432 I N 1.031 121.699 120.570 0.164 0.000 2.498 432 I HA 0.356 4.525 4.170 -0.001 0.000 0.290 432 I C 0.698 176.846 176.117 0.051 0.000 1.032 432 I CA -1.113 60.206 61.300 0.032 0.000 1.073 432 I CB 2.262 40.173 38.000 -0.149 0.000 1.251 432 I HN 0.312 nan 8.210 nan 0.000 0.426 433 G N 4.312 113.118 108.800 0.010 0.000 2.420 433 G HA2 0.448 4.407 3.960 -0.001 0.000 0.284 433 G HA3 0.448 4.407 3.960 -0.001 0.000 0.284 433 G C -0.634 174.251 174.900 -0.024 0.000 1.177 433 G CA -0.522 44.592 45.100 0.023 0.000 0.841 433 G HN 0.528 nan 8.290 nan 0.000 0.527 434 K N 0.688 121.090 120.400 0.004 0.000 2.143 434 K HA 0.594 4.914 4.320 -0.001 0.000 0.272 434 K C 0.767 177.364 176.600 -0.005 0.000 1.001 434 K CA 0.709 56.984 56.287 -0.020 0.000 0.915 434 K CB 1.442 33.947 32.500 0.008 0.000 1.047 434 K HN 1.059 nan 8.250 nan 0.000 0.458 435 G N 2.194 110.983 108.800 -0.018 0.000 2.632 435 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.224 435 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.224 435 G C -0.743 174.149 174.900 -0.014 0.000 1.341 435 G CA -0.755 44.339 45.100 -0.010 0.000 0.880 435 G HN 0.759 nan 8.290 nan 0.000 0.566 436 N N 1.590 120.283 118.700 -0.011 0.000 2.444 436 N HA 0.484 5.224 4.740 -0.001 0.000 0.255 436 N C -2.308 173.204 175.510 0.003 0.000 1.255 436 N CA -0.660 52.376 53.050 -0.022 0.000 0.933 436 N CB 0.391 38.855 38.487 -0.038 0.000 1.143 436 N HN 0.491 nan 8.380 nan 0.000 0.453 437 P HA -0.032 nan 4.420 nan 0.000 0.269 437 P C -0.620 176.750 177.300 0.117 0.000 1.209 437 P CA -0.176 62.952 63.100 0.046 0.000 0.776 437 P CB 0.306 32.002 31.700 -0.007 0.000 0.876 438 F N 2.169 122.139 119.950 0.033 0.000 2.602 438 F HA 0.335 4.861 4.527 -0.001 0.000 0.367 438 F C 0.057 175.894 175.800 0.063 0.000 1.126 438 F CA 0.158 58.173 58.000 0.027 0.000 1.321 438 F CB 0.023 39.028 39.000 0.008 0.000 1.094 438 F HN 0.415 nan 8.300 nan 0.000 0.594 439 A N 7.559 129.794 122.820 -0.976 0.000 2.572 439 A HA 0.786 5.105 4.320 -0.001 0.000 0.295 439 A C -1.216 175.825 177.584 -0.905 0.000 1.072 439 A CA -0.990 50.545 52.037 -0.836 0.000 0.691 439 A CB 1.535 20.148 19.000 -0.647 0.000 1.291 439 A HN 0.693 nan 8.150 nan 0.000 0.404 440 M N 0.683 119.943 119.600 -0.566 0.000 2.716 440 M HA 0.575 5.054 4.480 -0.001 0.000 0.307 440 M C -0.492 175.717 176.300 -0.151 0.000 1.223 440 M CA -0.336 54.786 55.300 -0.296 0.000 0.871 440 M CB 1.881 34.375 32.600 -0.177 0.000 1.739 440 M HN 0.900 nan 8.290 nan 0.000 0.475 441 E N 1.327 121.468 120.200 -0.097 0.000 2.222 441 E HA 0.726 5.076 4.350 -0.001 0.000 0.267 441 E C -1.950 174.553 176.600 -0.161 0.000 0.884 441 E CA -0.592 55.726 56.400 -0.138 0.000 0.764 441 E CB 2.868 32.499 29.700 -0.114 0.000 1.169 441 E HN 0.698 nan 8.360 nan 0.000 0.413 442 I N 3.511 123.962 120.570 -0.198 0.000 2.569 442 I HA 0.330 4.499 4.170 -0.001 0.000 0.290 442 I C -1.436 174.585 176.117 -0.159 0.000 1.088 442 I CA -0.827 60.384 61.300 -0.149 0.000 1.047 442 I CB 1.758 39.698 38.000 -0.100 0.000 1.237 442 I HN 0.444 nan 8.210 nan 0.000 0.421 443 N N 7.599 126.218 118.700 -0.135 0.000 2.555 443 N HA 0.249 4.989 4.740 -0.001 0.000 0.244 443 N C 0.807 176.282 175.510 -0.058 0.000 1.114 443 N CA 0.114 53.099 53.050 -0.108 0.000 0.963 443 N CB 0.382 38.809 38.487 -0.099 0.000 1.276 443 N HN 0.691 nan 8.380 nan 0.000 0.510 444 I N 1.599 122.135 120.570 -0.057 0.000 2.226 444 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 444 I C 2.133 178.256 176.117 0.010 0.000 1.100 444 I CA 0.951 62.238 61.300 -0.021 0.000 1.374 444 I CB 0.046 38.032 38.000 -0.023 0.000 1.057 444 I HN 0.483 nan 8.210 nan 0.000 0.413 445 Q N 0.763 120.564 119.800 0.002 0.000 2.046 445 Q HA -0.156 4.183 4.340 -0.001 0.000 0.200 445 Q C 2.512 178.559 176.000 0.078 0.000 0.975 445 Q CA 1.797 57.614 55.803 0.024 0.000 0.836 445 Q CB -0.563 28.171 28.738 -0.007 0.000 0.896 445 Q HN 0.571 nan 8.270 nan 0.000 0.428 446 A N 2.026 124.886 122.820 0.068 0.000 1.940 446 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 446 A C 1.945 179.607 177.584 0.129 0.000 1.176 446 A CA 1.494 53.604 52.037 0.121 0.000 0.631 446 A CB -0.494 18.547 19.000 0.069 0.000 0.814 446 A HN 0.323 nan 8.150 nan 0.000 0.446 447 N N -0.256 118.490 118.700 0.078 0.000 2.142 447 N HA -0.110 4.629 4.740 -0.001 0.000 0.186 447 N C 1.554 177.135 175.510 0.118 0.000 1.023 447 N CA 1.231 54.324 53.050 0.071 0.000 0.852 447 N CB -0.330 38.178 38.487 0.036 0.000 0.998 447 N HN 0.267 nan 8.380 nan 0.000 0.424 448 L N 0.706 122.012 121.223 0.139 0.000 2.012 448 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 448 L C 2.220 179.278 176.870 0.313 0.000 1.073 448 L CA 1.351 56.303 54.840 0.187 0.000 0.748 448 L CB -1.404 40.742 42.059 0.144 0.000 0.891 448 L HN 0.395 nan 8.230 nan 0.000 0.431 449 W N 0.468 121.797 121.300 0.048 0.000 2.333 449 W HA -0.290 4.370 4.660 -0.001 0.000 0.316 449 W C 2.864 179.456 176.519 0.122 0.000 1.215 449 W CA 1.362 58.739 57.345 0.054 0.000 1.278 449 W CB -0.046 29.408 29.460 -0.011 0.000 1.154 449 W HN 0.130 nan 8.180 nan 0.000 0.486 450 R N 0.610 121.159 120.500 0.081 0.000 2.081 450 R HA -0.182 4.157 4.340 -0.001 0.000 0.235 450 R C 2.004 178.319 176.300 0.025 0.000 1.131 450 R CA 1.774 57.835 56.100 -0.066 0.000 0.960 450 R CB -0.715 29.561 30.300 -0.041 0.000 0.856 450 R HN 0.259 nan 8.270 nan 0.000 0.436 451 N N -0.270 118.495 118.700 0.108 0.000 2.120 451 N HA -0.201 4.538 4.740 -0.001 0.000 0.188 451 N C 1.687 177.305 175.510 0.179 0.000 1.024 451 N CA 1.395 54.528 53.050 0.138 0.000 0.852 451 N CB -0.197 38.373 38.487 0.138 0.000 1.003 451 N HN 0.159 nan 8.380 nan 0.000 0.424 452 F N 1.858 121.863 119.950 0.092 0.000 2.095 452 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 452 F C 2.110 177.913 175.800 0.005 0.000 1.104 452 F CA 1.022 59.087 58.000 0.107 0.000 1.232 452 F CB -0.211 38.920 39.000 0.217 0.000 0.987 452 F HN -0.071 nan 8.300 nan 0.000 0.475 453 L N -0.496 120.730 121.223 0.005 0.000 2.046 453 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 453 L C 2.199 178.995 176.870 -0.124 0.000 1.077 453 L CA 1.731 56.457 54.840 -0.190 0.000 0.747 453 L CB -1.826 39.981 42.059 -0.420 0.000 0.896 453 L HN 0.317 nan 8.230 nan 0.000 0.432 454 Y N 0.319 120.523 120.300 -0.159 0.000 2.133 454 Y HA -0.208 4.341 4.550 -0.001 0.000 0.287 454 Y C 2.450 178.294 175.900 -0.093 0.000 1.134 454 Y CA 1.754 59.781 58.100 -0.121 0.000 1.133 454 Y CB -0.341 38.059 38.460 -0.100 0.000 0.987 454 Y HN 0.135 nan 8.280 nan 0.000 0.502 455 A N 0.147 122.924 122.820 -0.072 0.000 1.933 455 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 455 A C 1.923 179.517 177.584 0.016 0.000 1.175 455 A CA 1.989 53.968 52.037 -0.098 0.000 0.628 455 A CB -0.549 18.443 19.000 -0.014 0.000 0.814 455 A HN 0.628 nan 8.150 nan 0.000 0.444 456 N N -1.283 117.367 118.700 -0.083 0.000 2.322 456 N HA 0.091 4.831 4.740 -0.001 0.000 0.181 456 N C 1.182 176.743 175.510 0.086 0.000 1.088 456 N CA 1.240 54.294 53.050 0.008 0.000 0.885 456 N CB 0.832 39.015 38.487 -0.506 0.000 1.013 456 N HN 0.343 nan 8.380 nan 0.000 0.472 457 V N 0.196 120.086 119.914 -0.039 0.000 3.054 457 V HA 0.239 4.359 4.120 -0.001 0.000 0.227 457 V C 2.158 178.209 176.094 -0.072 0.000 1.252 457 V CA 0.787 63.059 62.300 -0.047 0.000 1.279 457 V CB -0.653 31.100 31.823 -0.116 0.000 1.118 457 V HN 0.058 nan 8.190 nan 0.000 0.504 458 A N 0.301 123.014 122.820 -0.179 0.000 1.908 458 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 458 A C 2.048 179.438 177.584 -0.322 0.000 1.181 458 A CA 1.791 53.686 52.037 -0.236 0.000 0.627 458 A CB -0.594 18.282 19.000 -0.207 0.000 0.818 458 A HN 0.362 nan 8.150 nan 0.000 0.445 459 L N -1.659 119.278 121.223 -0.476 0.000 2.275 459 L HA -0.067 4.272 4.340 -0.001 0.000 0.215 459 L C 1.435 178.012 176.870 -0.490 0.000 1.119 459 L CA 1.413 55.925 54.840 -0.547 0.000 0.790 459 L CB -1.331 40.328 42.059 -0.667 0.000 0.919 459 L HN 0.563 nan 8.230 nan 0.000 0.443 460 Y N -1.677 118.494 120.300 -0.215 0.000 2.468 460 Y HA 0.178 4.727 4.550 -0.001 0.000 0.268 460 Y C 1.091 176.920 175.900 -0.118 0.000 1.177 460 Y CA -0.621 57.397 58.100 -0.136 0.000 1.265 460 Y CB 0.020 38.435 38.460 -0.076 0.000 1.103 460 Y HN -0.066 nan 8.280 nan 0.000 0.522 461 L N 1.850 123.042 121.223 -0.052 0.000 2.483 461 L HA 0.081 4.420 4.340 -0.001 0.000 0.275 461 L C -1.901 174.982 176.870 0.021 0.000 1.220 461 L CA -1.787 52.995 54.840 -0.098 0.000 0.833 461 L CB 0.289 42.222 42.059 -0.210 0.000 1.102 461 L HN -0.058 nan 8.230 nan 0.000 0.490 462 P HA -0.070 nan 4.420 nan 0.000 0.267 462 P C -0.070 177.360 177.300 0.218 0.000 1.201 462 P CA 0.045 63.264 63.100 0.199 0.000 0.775 462 P CB 0.475 32.349 31.700 0.289 0.000 0.854 463 D N 0.799 121.286 120.400 0.144 0.000 2.265 463 D HA -0.143 4.496 4.640 -0.001 0.000 0.208 463 D C 1.446 177.812 176.300 0.110 0.000 0.977 463 D CA 1.569 55.640 54.000 0.118 0.000 0.871 463 D CB -0.167 40.728 40.800 0.160 0.000 0.925 463 D HN 0.297 nan 8.370 nan 0.000 0.485 464 S N -1.434 114.324 115.700 0.096 0.000 2.515 464 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 464 S C 1.476 175.998 174.600 -0.131 0.000 0.987 464 S CA 0.248 58.431 58.200 -0.028 0.000 0.936 464 S CB -0.645 62.494 63.200 -0.101 0.000 0.766 464 S HN 0.337 nan 8.310 nan 0.000 0.528 465 Y N 1.776 122.094 120.300 0.030 0.000 2.490 465 Y HA 0.397 4.946 4.550 -0.001 0.000 0.281 465 Y C 1.113 177.037 175.900 0.040 0.000 1.174 465 Y CA -0.109 58.009 58.100 0.030 0.000 1.295 465 Y CB 0.096 38.567 38.460 0.018 0.000 1.062 465 Y HN 0.205 nan 8.280 nan 0.000 0.522 466 K N -0.381 120.098 120.400 0.131 0.000 2.280 466 K HA 0.506 4.825 4.320 -0.001 0.000 0.234 466 K C -1.379 175.293 176.600 0.121 0.000 1.028 466 K CA -1.011 55.314 56.287 0.062 0.000 0.882 466 K CB 1.960 34.422 32.500 -0.064 0.000 1.194 466 K HN -0.015 nan 8.250 nan 0.000 0.458 467 Y N -2.959 117.303 120.300 -0.064 0.000 2.625 467 Y HA 0.470 5.020 4.550 -0.001 0.000 0.338 467 Y C -1.136 174.712 175.900 -0.086 0.000 1.123 467 Y CA -1.114 56.948 58.100 -0.063 0.000 1.046 467 Y CB 1.370 39.797 38.460 -0.054 0.000 1.299 467 Y HN 0.294 nan 8.280 nan 0.000 0.464 468 T N 3.609 118.196 114.554 0.056 0.000 2.772 468 T HA 0.449 4.798 4.350 -0.001 0.000 0.288 468 T C -2.707 172.059 174.700 0.111 0.000 0.994 468 T CA -1.277 60.804 62.100 -0.031 0.000 0.951 468 T CB 0.952 69.807 68.868 -0.022 0.000 0.933 468 T HN 0.401 nan 8.240 nan 0.000 0.447 469 P HA 0.289 nan 4.420 nan 0.000 0.267 469 P C -0.378 176.959 177.300 0.062 0.000 1.200 469 P CA -0.378 62.804 63.100 0.136 0.000 0.772 469 P CB 0.348 32.093 31.700 0.075 0.000 0.855 470 A N 3.248 126.100 122.820 0.054 0.000 2.425 470 A HA 0.256 4.576 4.320 -0.001 0.000 0.242 470 A C 1.242 178.823 177.584 -0.006 0.000 1.077 470 A CA 0.576 52.625 52.037 0.020 0.000 0.781 470 A CB -0.426 18.583 19.000 0.014 0.000 1.020 470 A HN 0.924 nan 8.150 nan 0.000 0.494 471 N N -1.299 117.390 118.700 -0.018 0.000 2.984 471 N HA -0.168 4.571 4.740 -0.001 0.000 0.227 471 N C -0.822 174.662 175.510 -0.044 0.000 0.903 471 N CA 1.499 54.524 53.050 -0.043 0.000 0.995 471 N CB -2.068 36.373 38.487 -0.077 0.000 1.065 471 N HN 0.753 nan 8.380 nan 0.000 0.585 472 V N 1.268 121.165 119.914 -0.029 0.000 2.448 472 V HA 0.581 4.700 4.120 -0.001 0.000 0.295 472 V C 0.233 176.315 176.094 -0.020 0.000 1.025 472 V CA -0.163 62.118 62.300 -0.032 0.000 0.859 472 V CB 1.694 33.489 31.823 -0.046 0.000 0.988 472 V HN 0.256 nan 8.190 nan 0.000 0.431 473 T N 6.654 121.199 114.554 -0.015 0.000 2.772 473 T HA 0.611 4.960 4.350 -0.001 0.000 0.288 473 T C -0.610 174.091 174.700 0.002 0.000 0.994 473 T CA -0.312 61.788 62.100 -0.000 0.000 0.951 473 T CB 0.934 69.805 68.868 0.004 0.000 0.933 473 T HN 0.160 nan 8.240 nan 0.000 0.447 474 L N 4.366 125.602 121.223 0.021 0.000 2.313 474 L HA 0.661 5.000 4.340 -0.001 0.000 0.268 474 L C -2.001 174.926 176.870 0.096 0.000 1.010 474 L CA -2.720 52.148 54.840 0.046 0.000 0.814 474 L CB 0.379 42.470 42.059 0.052 0.000 1.304 474 L HN 0.390 nan 8.230 nan 0.000 0.441 475 P HA 0.162 nan 4.420 nan 0.000 0.269 475 P C 0.583 177.927 177.300 0.074 0.000 1.209 475 P CA -0.108 63.041 63.100 0.082 0.000 0.776 475 P CB 0.366 32.111 31.700 0.074 0.000 0.876 476 T N -2.225 112.334 114.554 0.009 0.000 3.035 476 T HA -0.076 4.274 4.350 -0.001 0.000 0.268 476 T C 0.876 175.492 174.700 -0.139 0.000 1.109 476 T CA 0.317 62.388 62.100 -0.047 0.000 1.119 476 T CB -0.553 68.299 68.868 -0.026 0.000 0.900 476 T HN 0.251 nan 8.240 nan 0.000 0.503 477 N N 1.777 120.413 118.700 -0.107 0.000 2.399 477 N HA 0.124 4.863 4.740 -0.001 0.000 0.259 477 N C 0.578 175.934 175.510 -0.257 0.000 1.160 477 N CA 0.167 53.134 53.050 -0.138 0.000 0.946 477 N CB 0.915 39.367 38.487 -0.058 0.000 1.156 477 N HN 0.116 nan 8.380 nan 0.000 0.489 478 T N 2.139 116.442 114.554 -0.419 0.000 3.113 478 T HA 0.085 4.434 4.350 -0.001 0.000 0.256 478 T C 0.917 175.467 174.700 -0.249 0.000 1.131 478 T CA 0.430 62.093 62.100 -0.728 0.000 1.074 478 T CB 0.006 68.463 68.868 -0.684 0.000 0.944 478 T HN 0.487 nan 8.240 nan 0.000 0.516 479 N N 1.171 119.797 118.700 -0.123 0.000 2.383 479 N HA 0.049 4.788 4.740 -0.001 0.000 0.192 479 N C 0.307 175.820 175.510 0.005 0.000 1.141 479 N CA 0.228 53.260 53.050 -0.030 0.000 0.851 479 N CB 0.427 38.899 38.487 -0.025 0.000 0.976 479 N HN 0.207 nan 8.380 nan 0.000 0.465 480 T N -0.301 114.265 114.554 0.020 0.000 2.867 480 T HA 0.116 4.465 4.350 -0.001 0.000 0.282 480 T C 0.941 175.697 174.700 0.093 0.000 1.000 480 T CA -0.514 61.623 62.100 0.062 0.000 1.042 480 T CB 1.414 70.313 68.868 0.052 0.000 0.973 480 T HN 0.123 nan 8.240 nan 0.000 0.465 481 Y N 2.968 123.254 120.300 -0.023 0.000 2.128 481 Y HA -0.204 4.345 4.550 -0.001 0.000 0.284 481 Y C 2.018 177.873 175.900 -0.076 0.000 1.154 481 Y CA 1.941 60.004 58.100 -0.062 0.000 1.149 481 Y CB 0.073 38.483 38.460 -0.083 0.000 0.976 481 Y HN 0.660 nan 8.280 nan 0.000 0.505 482 D N -1.000 119.465 120.400 0.108 0.000 2.178 482 D HA -0.224 4.415 4.640 -0.001 0.000 0.201 482 D C 1.847 178.079 176.300 -0.113 0.000 0.980 482 D CA 1.437 55.432 54.000 -0.008 0.000 0.842 482 D CB -0.637 40.197 40.800 0.056 0.000 0.948 482 D HN 0.514 nan 8.370 nan 0.000 0.472 483 Y N 0.868 121.082 120.300 -0.143 0.000 2.114 483 Y HA -0.174 4.375 4.550 -0.001 0.000 0.284 483 Y C 2.384 178.150 175.900 -0.225 0.000 1.143 483 Y CA 1.582 59.591 58.100 -0.151 0.000 1.135 483 Y CB -0.160 38.242 38.460 -0.095 0.000 0.980 483 Y HN -0.137 nan 8.280 nan 0.000 0.499 484 M N -0.308 119.193 119.600 -0.165 0.000 2.296 484 M HA -0.179 4.300 4.480 -0.001 0.000 0.265 484 M C 1.730 177.721 176.300 -0.515 0.000 1.064 484 M CA 1.773 56.890 55.300 -0.306 0.000 1.109 484 M CB -0.358 32.087 32.600 -0.259 0.000 1.396 484 M HN 0.269 nan 8.290 nan 0.000 0.430 485 N N 0.251 118.552 118.700 -0.664 0.000 2.376 485 N HA -0.023 4.716 4.740 -0.001 0.000 0.177 485 N C 1.534 176.657 175.510 -0.645 0.000 1.024 485 N CA 1.264 53.867 53.050 -0.745 0.000 0.893 485 N CB 0.003 37.919 38.487 -0.951 0.000 0.980 485 N HN 0.251 nan 8.380 nan 0.000 0.439 486 G N -0.574 107.907 108.800 -0.532 0.000 2.744 486 G HA2 0.026 3.986 3.960 -0.001 0.000 0.211 486 G HA3 0.026 3.986 3.960 -0.001 0.000 0.211 486 G C 0.536 175.198 174.900 -0.396 0.000 1.146 486 G CA -0.241 44.602 45.100 -0.429 0.000 0.787 486 G HN 0.054 nan 8.290 nan 0.000 0.534 487 R N 0.507 120.707 120.500 -0.501 0.000 2.543 487 R HA 0.330 4.669 4.340 -0.001 0.000 0.277 487 R C -0.689 175.367 176.300 -0.407 0.000 1.074 487 R CA -0.104 55.703 56.100 -0.489 0.000 1.076 487 R CB 1.542 31.511 30.300 -0.551 0.000 0.993 487 R HN -0.014 nan 8.270 nan 0.000 0.459 488 V N 3.405 123.011 119.914 -0.514 0.000 2.483 488 V HA 0.312 4.431 4.120 -0.001 0.000 0.295 488 V C 0.024 175.882 176.094 -0.394 0.000 1.035 488 V CA -0.723 61.263 62.300 -0.524 0.000 0.896 488 V CB 2.087 33.399 31.823 -0.850 0.000 0.986 488 V HN 0.396 nan 8.190 nan 0.000 0.447 489 V N 3.511 123.345 119.914 -0.133 0.000 2.448 489 V HA 0.654 4.773 4.120 -0.001 0.000 0.295 489 V C 0.441 176.637 176.094 0.171 0.000 1.025 489 V CA -0.828 61.484 62.300 0.020 0.000 0.859 489 V CB 1.634 33.431 31.823 -0.043 0.000 0.988 489 V HN 0.982 nan 8.190 nan 0.000 0.431 490 A N 6.249 129.175 122.820 0.176 0.000 2.451 490 A HA 0.505 4.824 4.320 -0.001 0.000 0.266 490 A C -1.483 176.182 177.584 0.135 0.000 1.119 490 A CA -1.051 51.060 52.037 0.123 0.000 0.786 490 A CB 0.230 19.269 19.000 0.066 0.000 1.061 490 A HN 0.715 nan 8.150 nan 0.000 0.503 491 P HA -0.154 nan 4.420 nan 0.000 0.219 491 P C 1.482 178.793 177.300 0.018 0.000 1.146 491 P CA 1.780 64.897 63.100 0.028 0.000 0.808 491 P CB 0.162 31.677 31.700 -0.308 0.000 0.779 492 S N -1.526 114.177 115.700 0.006 0.000 2.603 492 S HA -0.014 4.455 4.470 -0.001 0.000 0.229 492 S C 1.687 176.302 174.600 0.026 0.000 0.972 492 S CA 0.466 58.676 58.200 0.017 0.000 0.935 492 S CB -1.437 61.816 63.200 0.087 0.000 0.769 492 S HN 0.097 nan 8.310 nan 0.000 0.536 493 L N 0.797 122.042 121.223 0.036 0.000 2.201 493 L HA 0.094 4.433 4.340 -0.001 0.000 0.212 493 L C 0.243 177.105 176.870 -0.014 0.000 1.105 493 L CA 0.598 55.459 54.840 0.035 0.000 0.775 493 L CB -0.051 42.034 42.059 0.044 0.000 0.913 493 L HN 0.270 nan 8.230 nan 0.000 0.440 494 V N -0.958 118.924 119.914 -0.053 0.000 2.462 494 V HA 0.242 4.361 4.120 -0.001 0.000 0.257 494 V C -0.520 175.442 176.094 -0.220 0.000 0.944 494 V CA -0.661 61.567 62.300 -0.121 0.000 0.903 494 V CB 0.836 32.589 31.823 -0.118 0.000 1.128 494 V HN 0.033 nan 8.190 nan 0.000 0.486 495 D N 1.257 121.441 120.400 -0.359 0.000 2.466 495 D HA 0.231 4.870 4.640 -0.001 0.000 0.262 495 D C 1.527 177.458 176.300 -0.614 0.000 1.177 495 D CA 0.417 54.083 54.000 -0.557 0.000 1.035 495 D CB 2.170 42.399 40.800 -0.952 0.000 1.105 495 D HN 0.402 nan 8.370 nan 0.000 0.551 496 S N -0.107 115.297 115.700 -0.493 0.000 2.555 496 S HA -0.176 4.293 4.470 -0.001 0.000 0.230 496 S C 1.314 175.893 174.600 -0.035 0.000 0.978 496 S CA 0.596 58.629 58.200 -0.278 0.000 0.934 496 S CB -0.568 62.634 63.200 0.003 0.000 0.766 496 S HN 0.562 nan 8.310 nan 0.000 0.533 497 Y N -0.356 119.978 120.300 0.057 0.000 2.571 497 Y HA 0.598 5.148 4.550 -0.001 0.000 0.275 497 Y C 0.286 176.215 175.900 0.048 0.000 1.179 497 Y CA -2.393 55.746 58.100 0.065 0.000 1.242 497 Y CB -0.866 37.613 38.460 0.032 0.000 1.126 497 Y HN 0.176 nan 8.280 nan 0.000 0.524 498 I N 3.217 123.772 120.570 -0.025 0.000 2.662 498 I HA -0.008 4.162 4.170 -0.001 0.000 0.285 498 I C 0.326 176.508 176.117 0.109 0.000 1.161 498 I CA 0.253 61.578 61.300 0.042 0.000 1.415 498 I CB -0.188 37.784 38.000 -0.048 0.000 1.385 498 I HN 0.430 nan 8.210 nan 0.000 0.552 499 N N 6.080 124.841 118.700 0.101 0.000 2.696 499 N HA -0.274 4.465 4.740 -0.001 0.000 0.271 499 N C -0.021 175.535 175.510 0.077 0.000 0.997 499 N CA 0.655 53.735 53.050 0.049 0.000 0.801 499 N CB -0.840 37.668 38.487 0.036 0.000 0.913 499 N HN 0.637 nan 8.380 nan 0.000 0.557 500 I N -0.214 120.409 120.570 0.088 0.000 2.618 500 I HA 0.123 4.292 4.170 -0.001 0.000 0.284 500 I C 1.467 177.626 176.117 0.070 0.000 1.146 500 I CA 1.296 62.663 61.300 0.111 0.000 1.425 500 I CB 0.146 38.225 38.000 0.131 0.000 1.383 500 I HN 0.595 nan 8.210 nan 0.000 0.562 501 G N 4.554 113.403 108.800 0.082 0.000 2.176 501 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.253 501 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.253 501 G C 0.117 175.051 174.900 0.058 0.000 0.979 501 G CA 0.060 45.196 45.100 0.060 0.000 0.641 501 G HN 1.106 nan 8.290 nan 0.000 0.530 502 A N -0.461 122.404 122.820 0.075 0.000 2.311 502 A HA 0.888 5.208 4.320 -0.001 0.000 0.334 502 A C 0.282 177.952 177.584 0.144 0.000 1.139 502 A CA -0.106 51.986 52.037 0.092 0.000 0.830 502 A CB 0.956 19.996 19.000 0.067 0.000 1.234 502 A HN 0.720 nan 8.150 nan 0.000 0.483 503 R N 1.464 122.061 120.500 0.160 0.000 2.246 503 R HA 0.422 4.761 4.340 -0.001 0.000 0.332 503 R C -1.664 174.800 176.300 0.273 0.000 0.974 503 R CA -0.254 55.946 56.100 0.166 0.000 0.837 503 R CB 0.670 31.032 30.300 0.102 0.000 1.145 503 R HN 0.803 nan 8.270 nan 0.000 0.467 504 W N 4.937 126.239 121.300 0.004 0.000 3.775 504 W HA 0.155 4.814 4.660 -0.001 0.000 0.315 504 W C -1.364 175.140 176.519 -0.026 0.000 1.169 504 W CA -0.571 56.769 57.345 -0.009 0.000 1.266 504 W CB 1.817 31.280 29.460 0.005 0.000 1.269 504 W HN 0.689 nan 8.180 nan 0.000 0.471 505 S N 4.522 119.900 115.700 -0.537 0.000 2.584 505 S HA 0.534 5.003 4.470 -0.001 0.000 0.273 505 S C 0.010 174.281 174.600 -0.548 0.000 1.311 505 S CA -0.690 57.248 58.200 -0.438 0.000 1.034 505 S CB 1.658 64.582 63.200 -0.459 0.000 0.939 505 S HN 0.425 nan 8.310 nan 0.000 0.513 506 L N 2.591 123.683 121.223 -0.219 0.000 2.453 506 L HA 0.101 4.440 4.340 -0.001 0.000 0.272 506 L C 1.132 177.927 176.870 -0.124 0.000 1.182 506 L CA -0.501 54.300 54.840 -0.066 0.000 0.858 506 L CB 0.070 42.102 42.059 -0.044 0.000 1.120 506 L HN 0.715 nan 8.230 nan 0.000 0.474 507 D N 3.264 123.673 120.400 0.015 0.000 2.133 507 D HA -0.161 4.479 4.640 -0.001 0.000 0.192 507 D C -0.351 175.956 176.300 0.012 0.000 1.001 507 D CA 1.702 55.711 54.000 0.015 0.000 0.844 507 D CB -0.967 39.926 40.800 0.156 0.000 0.944 507 D HN 0.522 nan 8.370 nan 0.000 0.447 508 P HA -0.086 nan 4.420 nan 0.000 0.218 508 P C 1.452 178.747 177.300 -0.008 0.000 1.149 508 P CA 0.992 64.120 63.100 0.046 0.000 0.817 508 P CB -0.007 31.684 31.700 -0.014 0.000 0.785 509 M N -0.302 119.248 119.600 -0.084 0.000 2.419 509 M HA -0.043 4.436 4.480 -0.001 0.000 0.264 509 M C 1.360 177.595 176.300 -0.109 0.000 1.082 509 M CA 1.043 56.280 55.300 -0.105 0.000 1.119 509 M CB -1.586 30.917 32.600 -0.161 0.000 1.398 509 M HN -0.095 nan 8.290 nan 0.000 0.453 510 D N 1.297 121.612 120.400 -0.141 0.000 2.172 510 D HA -0.161 4.478 4.640 -0.001 0.000 0.196 510 D C 1.095 177.452 176.300 0.095 0.000 0.999 510 D CA 1.195 55.079 54.000 -0.194 0.000 0.856 510 D CB -0.301 40.289 40.800 -0.350 0.000 0.934 510 D HN 0.326 nan 8.370 nan 0.000 0.453 511 N N -0.340 118.475 118.700 0.191 0.000 2.235 511 N HA 0.058 4.798 4.740 -0.001 0.000 0.209 511 N C -0.642 175.075 175.510 0.345 0.000 1.122 511 N CA -0.018 53.229 53.050 0.329 0.000 0.845 511 N CB 1.094 39.718 38.487 0.229 0.000 1.004 511 N HN -0.025 nan 8.380 nan 0.000 0.499 512 V N 1.710 121.732 119.914 0.180 0.000 2.407 512 V HA 0.144 4.263 4.120 -0.001 0.000 0.278 512 V C 0.492 176.456 176.094 -0.218 0.000 1.037 512 V CA -1.145 61.190 62.300 0.059 0.000 0.900 512 V CB 1.295 33.125 31.823 0.011 0.000 0.983 512 V HN 0.199 nan 8.190 nan 0.000 0.459 513 N N 8.313 126.739 118.700 -0.456 0.000 2.394 513 N HA 0.006 4.746 4.740 -0.001 0.000 0.277 513 N C -1.240 173.977 175.510 -0.488 0.000 1.346 513 N CA -1.081 51.348 53.050 -1.035 0.000 0.910 513 N CB 1.213 39.452 38.487 -0.413 0.000 1.201 513 N HN 0.392 nan 8.380 nan 0.000 0.488 514 P HA -0.018 nan 4.420 nan 0.000 0.241 514 P C 0.748 177.772 177.300 -0.460 0.000 1.191 514 P CA 0.633 63.377 63.100 -0.594 0.000 0.771 514 P CB -0.011 31.088 31.700 -1.001 0.000 0.929 515 F N 0.105 120.027 119.950 -0.046 0.000 2.615 515 F HA 0.075 4.602 4.527 -0.001 0.000 0.297 515 F C 1.034 176.873 175.800 0.065 0.000 1.124 515 F CA 0.256 58.295 58.000 0.065 0.000 1.451 515 F CB -0.775 38.282 39.000 0.094 0.000 1.103 515 F HN -0.150 nan 8.300 nan 0.000 0.569 516 N N 1.154 119.961 118.700 0.178 0.000 2.807 516 N HA 0.049 4.788 4.740 -0.001 0.000 0.259 516 N C -0.767 174.847 175.510 0.173 0.000 1.149 516 N CA 0.315 53.474 53.050 0.183 0.000 1.042 516 N CB -0.451 38.150 38.487 0.189 0.000 1.367 516 N HN 0.254 nan 8.380 nan 0.000 0.516 517 H N 0.375 119.459 119.070 0.023 0.000 3.064 517 H HA 0.035 4.590 4.556 -0.001 0.000 0.352 517 H C 0.617 175.974 175.328 0.048 0.000 1.260 517 H CA -0.351 55.599 56.048 -0.162 0.000 1.160 517 H CB 1.172 30.650 29.762 -0.473 0.000 1.879 517 H HN 0.487 nan 8.280 nan 0.000 0.544 518 H N 2.586 121.666 119.070 0.018 0.000 2.546 518 H HA 0.092 4.648 4.556 -0.001 0.000 0.277 518 H C 0.452 175.994 175.328 0.356 0.000 1.004 518 H CA 0.313 56.542 56.048 0.302 0.000 1.231 518 H CB 0.273 30.151 29.762 0.193 0.000 1.382 518 H HN 0.364 nan 8.280 nan 0.000 0.580 519 R N 1.094 121.607 120.500 0.023 0.000 2.426 519 R HA 0.039 4.378 4.340 -0.001 0.000 0.263 519 R C 0.162 176.490 176.300 0.047 0.000 0.961 519 R CA -0.281 55.834 56.100 0.026 0.000 1.086 519 R CB 0.083 30.330 30.300 -0.088 0.000 1.186 519 R HN 0.108 nan 8.270 nan 0.000 0.537 520 N N 1.223 119.985 118.700 0.103 0.000 2.402 520 N HA 0.029 4.768 4.740 -0.001 0.000 0.259 520 N C 0.586 176.145 175.510 0.082 0.000 1.167 520 N CA -0.006 53.111 53.050 0.112 0.000 0.949 520 N CB 1.322 39.914 38.487 0.176 0.000 1.212 520 N HN 0.145 nan 8.380 nan 0.000 0.493 521 A N 3.423 126.298 122.820 0.091 0.000 1.968 521 A HA 0.038 4.357 4.320 -0.001 0.000 0.217 521 A C 1.914 179.582 177.584 0.140 0.000 1.169 521 A CA 1.450 53.557 52.037 0.116 0.000 0.638 521 A CB -0.701 18.388 19.000 0.149 0.000 0.812 521 A HN 0.668 nan 8.150 nan 0.000 0.446 522 G N 0.030 108.891 108.800 0.100 0.000 2.404 522 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.215 522 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.215 522 G C 1.475 176.339 174.900 -0.061 0.000 1.174 522 G CA 1.171 46.212 45.100 -0.098 0.000 0.780 522 G HN 0.510 nan 8.290 nan 0.000 0.537 523 L N 0.712 121.937 121.223 0.003 0.000 2.046 523 L HA 0.107 4.446 4.340 -0.001 0.000 0.208 523 L C 2.686 179.515 176.870 -0.068 0.000 1.077 523 L CA 2.189 57.033 54.840 0.006 0.000 0.747 523 L CB -0.648 41.458 42.059 0.078 0.000 0.896 523 L HN 0.257 nan 8.230 nan 0.000 0.432 524 R N -1.728 118.658 120.500 -0.189 0.000 2.083 524 R HA -0.275 4.064 4.340 -0.001 0.000 0.237 524 R C 2.446 178.622 176.300 -0.207 0.000 1.137 524 R CA 2.088 57.870 56.100 -0.529 0.000 0.951 524 R CB -0.755 29.217 30.300 -0.547 0.000 0.851 524 R HN 0.565 nan 8.270 nan 0.000 0.434 525 Y N 0.771 120.976 120.300 -0.158 0.000 2.181 525 Y HA -0.200 4.350 4.550 -0.001 0.000 0.288 525 Y C 2.132 177.976 175.900 -0.093 0.000 1.146 525 Y CA 1.857 59.907 58.100 -0.082 0.000 1.164 525 Y CB 0.001 38.421 38.460 -0.066 0.000 0.982 525 Y HN 0.004 nan 8.280 nan 0.000 0.515 526 R N -0.542 119.883 120.500 -0.124 0.000 2.092 526 R HA -0.136 4.204 4.340 -0.001 0.000 0.231 526 R C 2.770 178.996 176.300 -0.123 0.000 1.119 526 R CA 1.220 57.218 56.100 -0.170 0.000 0.970 526 R CB -0.531 29.724 30.300 -0.075 0.000 0.864 526 R HN 0.279 nan 8.270 nan 0.000 0.440 527 S N 0.329 115.996 115.700 -0.055 0.000 2.356 527 S HA -0.137 4.332 4.470 -0.001 0.000 0.223 527 S C 1.850 176.479 174.600 0.047 0.000 1.032 527 S CA 1.288 59.518 58.200 0.050 0.000 1.005 527 S CB 0.004 63.378 63.200 0.290 0.000 0.867 527 S HN 0.222 nan 8.310 nan 0.000 0.449 528 M N 0.565 120.163 119.600 -0.004 0.000 2.394 528 M HA 0.085 4.564 4.480 -0.001 0.000 0.264 528 M C 1.911 178.160 176.300 -0.085 0.000 1.073 528 M CA 0.656 55.961 55.300 0.008 0.000 1.111 528 M CB -0.294 32.315 32.600 0.015 0.000 1.401 528 M HN 0.312 nan 8.290 nan 0.000 0.448 529 L N 0.069 121.152 121.223 -0.232 0.000 2.131 529 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 529 L C 2.147 178.981 176.870 -0.060 0.000 1.092 529 L CA 1.105 55.811 54.840 -0.223 0.000 0.759 529 L CB -0.366 41.496 42.059 -0.328 0.000 0.903 529 L HN 0.361 nan 8.230 nan 0.000 0.435 530 L N -1.348 119.859 121.223 -0.026 0.000 2.179 530 L HA 0.138 4.477 4.340 -0.001 0.000 0.208 530 L C 1.105 177.998 176.870 0.039 0.000 1.096 530 L CA 0.637 55.492 54.840 0.025 0.000 0.779 530 L CB -0.338 41.700 42.059 -0.033 0.000 0.922 530 L HN 0.409 nan 8.230 nan 0.000 0.443 531 G N -0.098 108.733 108.800 0.052 0.000 2.325 531 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.285 531 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.285 531 G C -0.525 174.484 174.900 0.181 0.000 1.303 531 G CA -0.016 45.140 45.100 0.094 0.000 0.970 531 G HN 0.087 nan 8.290 nan 0.000 0.490 532 N N 0.009 118.830 118.700 0.201 0.000 2.184 532 N HA 0.337 5.076 4.740 -0.001 0.000 0.206 532 N C 0.763 176.482 175.510 0.349 0.000 1.151 532 N CA 0.895 54.114 53.050 0.282 0.000 0.878 532 N CB 1.033 39.612 38.487 0.154 0.000 1.014 532 N HN 1.092 nan 8.380 nan 0.000 0.512 533 G N 0.757 109.735 108.800 0.296 0.000 2.489 533 G HA2 0.391 4.350 3.960 -0.001 0.000 0.327 533 G HA3 0.391 4.350 3.960 -0.001 0.000 0.327 533 G C 0.747 175.752 174.900 0.174 0.000 1.189 533 G CA -0.910 44.337 45.100 0.245 0.000 0.962 533 G HN 0.241 nan 8.290 nan 0.000 0.486 534 R N -1.273 119.228 120.500 0.002 0.000 2.189 534 R HA 0.021 4.361 4.340 -0.001 0.000 0.218 534 R C -0.476 175.579 176.300 -0.408 0.000 1.074 534 R CA 0.639 56.570 56.100 -0.282 0.000 0.991 534 R CB -0.184 29.872 30.300 -0.407 0.000 0.883 534 R HN 0.361 nan 8.270 nan 0.000 0.457 535 Y N 1.207 121.512 120.300 0.009 0.000 2.385 535 Y HA 0.419 4.968 4.550 -0.001 0.000 0.341 535 Y C -0.508 175.402 175.900 0.016 0.000 0.965 535 Y CA -1.336 56.767 58.100 0.005 0.000 1.180 535 Y CB 1.899 40.371 38.460 0.019 0.000 1.139 535 Y HN -0.247 nan 8.280 nan 0.000 0.502 536 V N 5.990 126.001 119.914 0.160 0.000 2.445 536 V HA 0.329 4.449 4.120 -0.001 0.000 0.283 536 V C -2.562 173.662 176.094 0.216 0.000 1.014 536 V CA -2.247 60.141 62.300 0.147 0.000 0.852 536 V CB 1.710 33.584 31.823 0.086 0.000 1.021 536 V HN 0.510 nan 8.190 nan 0.000 0.435 537 P HA 0.235 nan 4.420 nan 0.000 0.270 537 P C -0.655 176.739 177.300 0.156 0.000 1.242 537 P CA 0.194 63.344 63.100 0.084 0.000 0.768 537 P CB -0.030 31.687 31.700 0.028 0.000 0.820 538 F N 0.794 120.812 119.950 0.113 0.000 2.541 538 F HA 0.686 5.212 4.527 -0.001 0.000 0.331 538 F C -0.316 175.591 175.800 0.179 0.000 1.057 538 F CA -1.060 57.039 58.000 0.165 0.000 0.975 538 F CB 1.606 40.767 39.000 0.269 0.000 1.246 538 F HN 0.321 nan 8.300 nan 0.000 0.484 539 H N 3.225 122.429 119.070 0.224 0.000 3.181 539 H HA 0.582 5.137 4.556 -0.001 0.000 0.331 539 H C -1.604 173.789 175.328 0.109 0.000 0.988 539 H CA -0.902 55.190 56.048 0.074 0.000 1.449 539 H CB 1.592 31.360 29.762 0.010 0.000 1.749 539 H HN 0.904 nan 8.280 nan 0.000 0.501 540 I N 1.080 121.733 120.570 0.138 0.000 3.042 540 I HA 0.526 4.695 4.170 -0.001 0.000 0.310 540 I C -1.569 174.442 176.117 -0.177 0.000 1.117 540 I CA -1.234 59.995 61.300 -0.119 0.000 1.003 540 I CB 2.687 40.448 38.000 -0.398 0.000 1.228 540 I HN 0.386 nan 8.210 nan 0.000 0.443 541 Q N 2.692 122.372 119.800 -0.199 0.000 2.331 541 Q HA 0.662 5.002 4.340 -0.001 0.000 0.267 541 Q C -1.226 174.884 176.000 0.184 0.000 1.006 541 Q CA -0.587 55.188 55.803 -0.047 0.000 0.818 541 Q CB 2.621 31.086 28.738 -0.455 0.000 1.276 541 Q HN 0.556 nan 8.270 nan 0.000 0.450 542 V N 4.673 124.756 119.914 0.281 0.000 2.448 542 V HA 0.572 4.691 4.120 -0.001 0.000 0.295 542 V C -2.182 174.103 176.094 0.318 0.000 1.025 542 V CA -1.863 60.611 62.300 0.290 0.000 0.859 542 V CB 1.653 33.552 31.823 0.127 0.000 0.988 542 V HN 0.714 nan 8.190 nan 0.000 0.431 543 P HA 0.258 nan 4.420 nan 0.000 0.278 543 P C -1.224 175.975 177.300 -0.169 0.000 1.258 543 P CA -0.606 62.305 63.100 -0.316 0.000 0.811 543 P CB 1.139 32.316 31.700 -0.871 0.000 1.063 544 Q N 1.063 120.747 119.800 -0.193 0.000 2.296 544 Q HA 0.174 4.513 4.340 -0.001 0.000 0.257 544 Q C 0.349 176.202 176.000 -0.245 0.000 0.942 544 Q CA 0.474 56.182 55.803 -0.157 0.000 0.939 544 Q CB 0.768 29.437 28.738 -0.115 0.000 1.198 544 Q HN 0.281 nan 8.270 nan 0.000 0.429 545 K N 3.465 123.716 120.400 -0.248 0.000 2.360 545 K HA 0.139 4.458 4.320 -0.001 0.000 0.196 545 K C -0.268 176.216 176.600 -0.193 0.000 1.049 545 K CA -0.246 55.772 56.287 -0.449 0.000 1.049 545 K CB 0.376 32.395 32.500 -0.802 0.000 0.881 545 K HN 0.485 nan 8.250 nan 0.000 0.542 546 F N 2.806 122.643 119.950 -0.189 0.000 2.571 546 F HA -0.055 4.471 4.527 -0.001 0.000 0.384 546 F C 1.050 176.866 175.800 0.025 0.000 1.058 546 F CA -1.193 56.819 58.000 0.019 0.000 1.200 546 F CB 0.206 39.382 39.000 0.294 0.000 1.077 546 F HN 0.058 nan 8.300 nan 0.000 0.558 547 F N 4.038 123.597 119.950 -0.652 0.000 2.202 547 F HA -0.082 4.445 4.527 -0.001 0.000 0.301 547 F C 1.743 177.247 175.800 -0.494 0.000 1.082 547 F CA 1.194 58.928 58.000 -0.442 0.000 1.313 547 F CB -1.033 37.791 39.000 -0.293 0.000 1.024 547 F HN 0.403 nan 8.300 nan 0.000 0.495 548 A N 1.345 123.167 122.820 -1.664 0.000 2.066 548 A HA 0.060 4.380 4.320 -0.001 0.000 0.218 548 A C 2.127 179.338 177.584 -0.622 0.000 1.157 548 A CA 1.516 52.868 52.037 -1.141 0.000 0.670 548 A CB -0.984 17.545 19.000 -0.785 0.000 0.804 548 A HN 0.770 nan 8.150 nan 0.000 0.453 549 I N -4.022 116.302 120.570 -0.410 0.000 4.526 549 I HA 0.191 4.360 4.170 -0.001 0.000 0.330 549 I C 1.616 177.533 176.117 -0.334 0.000 1.323 549 I CA 0.579 61.702 61.300 -0.296 0.000 1.218 549 I CB 0.059 38.031 38.000 -0.047 0.000 1.233 549 I HN 0.169 nan 8.210 nan 0.000 0.430 550 K N 1.413 121.623 120.400 -0.317 0.000 2.209 550 K HA 0.078 4.397 4.320 -0.001 0.000 0.204 550 K C 1.119 177.576 176.600 -0.237 0.000 1.048 550 K CA 1.804 57.960 56.287 -0.219 0.000 0.940 550 K CB -0.239 32.182 32.500 -0.131 0.000 0.729 550 K HN 0.261 nan 8.250 nan 0.000 0.451 551 S N 0.458 115.928 115.700 -0.384 0.000 2.730 551 S HA 0.186 4.655 4.470 -0.001 0.000 0.244 551 S C -0.338 174.131 174.600 -0.218 0.000 1.022 551 S CA -0.742 57.311 58.200 -0.245 0.000 1.014 551 S CB 0.184 63.323 63.200 -0.101 0.000 0.963 551 S HN 0.239 nan 8.310 nan 0.000 0.540 552 L N 2.685 123.681 121.223 -0.378 0.000 2.490 552 L HA 0.303 4.642 4.340 -0.001 0.000 0.274 552 L C -0.356 176.482 176.870 -0.054 0.000 1.201 552 L CA -0.036 54.719 54.840 -0.142 0.000 0.869 552 L CB 0.357 42.280 42.059 -0.226 0.000 1.123 552 L HN 0.156 nan 8.230 nan 0.000 0.484 553 L N 6.041 127.288 121.223 0.040 0.000 2.268 553 L HA 0.407 4.747 4.340 -0.001 0.000 0.289 553 L C -0.802 176.042 176.870 -0.043 0.000 1.064 553 L CA 0.009 54.843 54.840 -0.010 0.000 0.824 553 L CB 0.816 42.887 42.059 0.020 0.000 1.202 553 L HN 0.683 nan 8.230 nan 0.000 0.433 554 L N 5.708 126.871 121.223 -0.100 0.000 2.295 554 L HA 0.533 4.873 4.340 -0.001 0.000 0.285 554 L C -0.740 176.106 176.870 -0.040 0.000 1.035 554 L CA -0.053 54.692 54.840 -0.158 0.000 0.806 554 L CB 1.071 42.930 42.059 -0.333 0.000 1.214 554 L HN 0.531 nan 8.230 nan 0.000 0.426 555 L N 5.192 126.427 121.223 0.020 0.000 2.431 555 L HA 0.554 4.893 4.340 -0.001 0.000 0.260 555 L C -1.964 175.030 176.870 0.207 0.000 1.098 555 L CA -2.141 52.758 54.840 0.099 0.000 0.800 555 L CB 0.647 42.749 42.059 0.073 0.000 1.210 555 L HN 0.478 nan 8.230 nan 0.000 0.465 556 P HA 0.146 nan 4.420 nan 0.000 0.266 556 P C -0.274 177.116 177.300 0.151 0.000 1.193 556 P CA 0.413 63.605 63.100 0.153 0.000 0.770 556 P CB 0.475 32.219 31.700 0.074 0.000 0.836 557 G N 0.405 109.252 108.800 0.079 0.000 2.347 557 G HA2 0.216 4.175 3.960 -0.001 0.000 0.321 557 G HA3 0.216 4.175 3.960 -0.001 0.000 0.321 557 G C -1.396 173.311 174.900 -0.322 0.000 1.412 557 G CA -0.645 44.342 45.100 -0.189 0.000 0.990 557 G HN 0.341 nan 8.290 nan 0.000 0.637 558 S N 0.004 115.399 115.700 -0.509 0.000 2.449 558 S HA 0.752 5.221 4.470 -0.001 0.000 0.310 558 S C -1.175 173.082 174.600 -0.573 0.000 1.096 558 S CA -0.343 57.646 58.200 -0.352 0.000 1.095 558 S CB 0.597 63.708 63.200 -0.149 0.000 1.007 558 S HN 0.462 nan 8.310 nan 0.000 0.474 559 Y N 0.891 121.194 120.300 0.005 0.000 2.393 559 Y HA 0.355 4.905 4.550 -0.001 0.000 0.341 559 Y C 0.828 176.765 175.900 0.063 0.000 0.988 559 Y CA -1.003 57.109 58.100 0.021 0.000 1.078 559 Y CB 1.126 39.579 38.460 -0.013 0.000 1.203 559 Y HN 0.355 nan 8.280 nan 0.000 0.453 560 T N 3.588 118.269 114.554 0.211 0.000 2.779 560 T HA 0.098 4.447 4.350 -0.001 0.000 0.296 560 T C -1.130 173.771 174.700 0.336 0.000 0.938 560 T CA 0.024 62.252 62.100 0.214 0.000 1.119 560 T CB -0.314 68.636 68.868 0.138 0.000 0.891 560 T HN 0.589 nan 8.240 nan 0.000 0.526 561 Y N 2.949 123.376 120.300 0.213 0.000 2.327 561 Y HA 0.369 4.918 4.550 -0.002 0.000 0.325 561 Y C -0.292 175.837 175.900 0.382 0.000 0.999 561 Y CA -0.935 57.344 58.100 0.298 0.000 1.195 561 Y CB 0.845 39.469 38.460 0.273 0.000 1.132 561 Y HN 0.649 nan 8.280 nan 0.000 0.455 562 E N 6.029 126.397 120.200 0.280 0.000 2.266 562 E HA 0.284 4.634 4.350 -0.001 0.000 0.268 562 E C -1.620 175.023 176.600 0.072 0.000 0.879 562 E CA -0.886 55.576 56.400 0.104 0.000 0.762 562 E CB 2.799 32.492 29.700 -0.012 0.000 1.199 562 E HN 0.529 nan 8.360 nan 0.000 0.422 563 W N 1.550 122.722 121.300 -0.214 0.000 3.083 563 W HA 0.328 4.987 4.660 -0.001 0.000 0.333 563 W C -1.162 175.154 176.519 -0.337 0.000 1.217 563 W CA -0.524 56.586 57.345 -0.392 0.000 1.170 563 W CB 2.313 31.317 29.460 -0.760 0.000 1.437 563 W HN 0.551 nan 8.180 nan 0.000 0.557 564 N N 1.998 120.469 118.700 -0.381 0.000 2.362 564 N HA 0.545 5.285 4.740 -0.001 0.000 0.298 564 N C -1.592 173.866 175.510 -0.088 0.000 1.048 564 N CA -0.477 52.507 53.050 -0.110 0.000 0.858 564 N CB 1.796 40.164 38.487 -0.198 0.000 1.218 564 N HN 0.009 nan 8.380 nan 0.000 0.488 565 F N 0.608 120.701 119.950 0.238 0.000 2.532 565 F HA 0.461 4.987 4.527 -0.001 0.000 0.321 565 F C 0.737 176.736 175.800 0.331 0.000 1.089 565 F CA -1.031 57.058 58.000 0.147 0.000 0.926 565 F CB 1.526 40.423 39.000 -0.171 0.000 1.168 565 F HN 0.111 nan 8.300 nan 0.000 0.459 566 R N 1.684 122.374 120.500 0.315 0.000 2.490 566 R HA 0.288 4.627 4.340 -0.001 0.000 0.278 566 R C 0.380 176.953 176.300 0.456 0.000 1.069 566 R CA -0.395 55.866 56.100 0.269 0.000 1.080 566 R CB 1.111 31.386 30.300 -0.042 0.000 1.030 566 R HN 0.723 nan 8.270 nan 0.000 0.491 567 K N 0.362 120.985 120.400 0.371 0.000 2.360 567 K HA 0.004 4.323 4.320 -0.001 0.000 0.196 567 K C -0.172 176.531 176.600 0.171 0.000 1.049 567 K CA -0.047 56.368 56.287 0.215 0.000 1.049 567 K CB 0.378 32.958 32.500 0.135 0.000 0.881 567 K HN 0.445 nan 8.250 nan 0.000 0.542 568 D N 1.573 122.124 120.400 0.251 0.000 2.363 568 D HA -0.048 4.591 4.640 -0.001 0.000 0.263 568 D C 1.224 177.656 176.300 0.219 0.000 1.258 568 D CA -0.129 54.051 54.000 0.299 0.000 0.907 568 D CB 1.316 42.392 40.800 0.459 0.000 1.107 568 D HN -0.044 nan 8.370 nan 0.000 0.495 569 V N 2.184 122.191 119.914 0.155 0.000 2.759 569 V HA -0.127 3.992 4.120 -0.001 0.000 0.256 569 V C 1.585 177.735 176.094 0.093 0.000 1.080 569 V CA 1.007 63.356 62.300 0.083 0.000 1.101 569 V CB -0.562 31.270 31.823 0.015 0.000 0.698 569 V HN 0.361 nan 8.190 nan 0.000 0.477 570 N N 0.185 118.972 118.700 0.145 0.000 2.331 570 N HA 0.026 4.766 4.740 -0.001 0.000 0.180 570 N C 1.644 177.343 175.510 0.315 0.000 1.019 570 N CA 1.535 54.670 53.050 0.141 0.000 0.881 570 N CB -0.228 38.297 38.487 0.062 0.000 0.972 570 N HN 0.422 nan 8.380 nan 0.000 0.435 571 M N 0.110 119.894 119.600 0.307 0.000 2.325 571 M HA 0.154 4.633 4.480 -0.001 0.000 0.265 571 M C 2.008 178.429 176.300 0.202 0.000 1.094 571 M CA 0.736 56.188 55.300 0.254 0.000 1.161 571 M CB -0.484 32.206 32.600 0.150 0.000 1.358 571 M HN 0.127 nan 8.290 nan 0.000 0.446 572 I N -2.093 118.597 120.570 0.200 0.000 3.427 572 I HA 0.149 4.318 4.170 -0.001 0.000 0.288 572 I C 0.370 176.632 176.117 0.243 0.000 1.249 572 I CA 0.226 61.680 61.300 0.256 0.000 1.421 572 I CB 0.135 38.327 38.000 0.320 0.000 1.086 572 I HN -0.038 nan 8.210 nan 0.000 0.448 573 L N 1.296 122.576 121.223 0.094 0.000 2.313 573 L HA 0.573 4.913 4.340 -0.001 0.000 0.268 573 L C -0.490 176.381 176.870 0.002 0.000 1.010 573 L CA -0.583 54.235 54.840 -0.037 0.000 0.814 573 L CB 1.783 43.745 42.059 -0.161 0.000 1.304 573 L HN 0.167 nan 8.230 nan 0.000 0.441 574 Q N 0.895 120.679 119.800 -0.027 0.000 2.372 574 Q HA 0.552 4.891 4.340 -0.001 0.000 0.273 574 Q C -1.477 174.513 176.000 -0.016 0.000 1.078 574 Q CA -0.563 55.233 55.803 -0.013 0.000 0.806 574 Q CB 2.568 31.325 28.738 0.031 0.000 1.332 574 Q HN 0.786 nan 8.270 nan 0.000 0.435 575 S N 0.659 116.342 115.700 -0.029 0.000 2.607 575 S HA 0.386 4.855 4.470 -0.001 0.000 0.303 575 S C 0.617 175.255 174.600 0.064 0.000 1.086 575 S CA -0.068 58.149 58.200 0.028 0.000 0.995 575 S CB 1.664 64.861 63.200 -0.004 0.000 1.084 575 S HN 0.746 nan 8.310 nan 0.000 0.507 576 S N 1.158 116.945 115.700 0.145 0.000 2.436 576 S HA 0.058 4.527 4.470 -0.001 0.000 0.228 576 S C 1.473 176.177 174.600 0.172 0.000 1.014 576 S CA 0.189 58.505 58.200 0.194 0.000 0.950 576 S CB -0.787 62.595 63.200 0.304 0.000 0.784 576 S HN 0.663 nan 8.310 nan 0.000 0.504 577 L N 0.815 122.105 121.223 0.112 0.000 2.375 577 L HA 0.276 4.616 4.340 -0.001 0.000 0.215 577 L C 1.960 178.853 176.870 0.039 0.000 1.108 577 L CA 0.568 55.455 54.840 0.078 0.000 0.830 577 L CB -0.748 41.322 42.059 0.020 0.000 0.959 577 L HN 0.597 nan 8.230 nan 0.000 0.457 578 G N 1.085 109.855 108.800 -0.049 0.000 2.136 578 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.242 578 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.242 578 G C 0.169 174.966 174.900 -0.172 0.000 0.989 578 G CA 0.323 45.276 45.100 -0.245 0.000 0.682 578 G HN 0.520 nan 8.290 nan 0.000 0.522 579 N N 0.524 119.184 118.700 -0.067 0.000 2.371 579 N HA 0.272 5.011 4.740 -0.001 0.000 0.243 579 N C -0.346 175.122 175.510 -0.071 0.000 1.287 579 N CA 0.047 53.082 53.050 -0.025 0.000 0.911 579 N CB 0.685 39.200 38.487 0.047 0.000 1.142 579 N HN 0.138 nan 8.380 nan 0.000 0.451 580 D N 0.788 121.161 120.400 -0.045 0.000 2.367 580 D HA 0.056 4.696 4.640 -0.001 0.000 0.255 580 D C 1.086 177.362 176.300 -0.039 0.000 1.300 580 D CA -0.223 53.739 54.000 -0.064 0.000 0.959 580 D CB -0.111 40.664 40.800 -0.040 0.000 1.064 580 D HN 0.508 nan 8.370 nan 0.000 0.509 581 L N 3.418 124.609 121.223 -0.053 0.000 2.362 581 L HA -0.098 4.242 4.340 -0.001 0.000 0.219 581 L C 2.422 179.286 176.870 -0.010 0.000 1.134 581 L CA 0.560 55.378 54.840 -0.036 0.000 0.807 581 L CB -0.216 41.812 42.059 -0.051 0.000 0.927 581 L HN 0.337 nan 8.230 nan 0.000 0.447 582 R N -0.444 120.063 120.500 0.012 0.000 2.062 582 R HA -0.094 4.246 4.340 -0.001 0.000 0.231 582 R C 2.263 178.578 176.300 0.025 0.000 1.136 582 R CA 1.807 57.932 56.100 0.040 0.000 0.948 582 R CB -0.851 29.503 30.300 0.090 0.000 0.845 582 R HN 0.235 nan 8.270 nan 0.000 0.430 583 T N 1.224 115.788 114.554 0.017 0.000 2.821 583 T HA -0.080 4.270 4.350 -0.001 0.000 0.267 583 T C 0.844 175.550 174.700 0.010 0.000 1.046 583 T CA 1.259 63.368 62.100 0.015 0.000 1.139 583 T CB -0.160 68.715 68.868 0.011 0.000 0.871 583 T HN 0.161 nan 8.240 nan 0.000 0.454 584 D N 0.501 120.903 120.400 0.003 0.000 2.352 584 D HA 0.274 4.913 4.640 -0.001 0.000 0.236 584 D C 1.373 177.659 176.300 -0.023 0.000 1.148 584 D CA 0.275 54.272 54.000 -0.005 0.000 0.844 584 D CB -0.295 40.505 40.800 -0.000 0.000 0.933 584 D HN 0.473 nan 8.370 nan 0.000 0.507 585 G N 0.350 109.143 108.800 -0.011 0.000 2.136 585 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.242 585 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.242 585 G C 0.516 175.403 174.900 -0.021 0.000 0.989 585 G CA 0.130 45.224 45.100 -0.010 0.000 0.682 585 G HN 0.591 nan 8.290 nan 0.000 0.522 586 A N -0.353 122.446 122.820 -0.034 0.000 2.322 586 A HA 0.947 5.266 4.320 -0.001 0.000 0.269 586 A C 0.663 178.227 177.584 -0.033 0.000 1.094 586 A CA 0.830 52.834 52.037 -0.055 0.000 0.807 586 A CB 1.027 19.976 19.000 -0.087 0.000 1.047 586 A HN 2.113 nan 8.150 nan 0.000 0.487 587 S N 0.272 115.949 115.700 -0.038 0.000 2.588 587 S HA 0.740 5.210 4.470 -0.001 0.000 0.269 587 S C -0.930 173.645 174.600 -0.042 0.000 1.157 587 S CA -0.558 57.624 58.200 -0.029 0.000 0.824 587 S CB 0.880 64.073 63.200 -0.012 0.000 1.126 587 S HN 1.168 nan 8.310 nan 0.000 0.464 588 I N 0.468 120.998 120.570 -0.066 0.000 2.769 588 I HA 0.717 4.887 4.170 -0.001 0.000 0.298 588 I C -1.199 174.810 176.117 -0.180 0.000 1.128 588 I CA -0.298 60.949 61.300 -0.088 0.000 1.031 588 I CB 2.302 40.216 38.000 -0.143 0.000 1.235 588 I HN 0.784 nan 8.210 nan 0.000 0.423 589 S N 5.409 121.020 115.700 -0.149 0.000 2.532 589 S HA 0.624 5.093 4.470 -0.001 0.000 0.299 589 S C -1.117 173.321 174.600 -0.269 0.000 1.105 589 S CA -0.438 57.636 58.200 -0.210 0.000 1.018 589 S CB 0.808 63.960 63.200 -0.081 0.000 1.021 589 S HN 0.369 nan 8.310 nan 0.000 0.483 590 F N 2.445 122.325 119.950 -0.117 0.000 2.405 590 F HA 0.286 4.812 4.527 -0.001 0.000 0.355 590 F C 1.681 177.279 175.800 -0.336 0.000 1.121 590 F CA -0.586 57.211 58.000 -0.340 0.000 1.112 590 F CB 1.575 40.111 39.000 -0.773 0.000 1.126 590 F HN 0.523 nan 8.300 nan 0.000 0.481 591 T N 0.616 115.104 114.554 -0.111 0.000 2.939 591 T HA 0.017 4.366 4.350 -0.001 0.000 0.254 591 T C 0.291 174.943 174.700 -0.079 0.000 1.041 591 T CA 0.833 62.874 62.100 -0.098 0.000 1.142 591 T CB 0.096 68.879 68.868 -0.142 0.000 0.874 591 T HN 0.611 nan 8.240 nan 0.000 0.452 592 S N -0.042 115.581 115.700 -0.128 0.000 2.552 592 S HA 0.643 5.112 4.470 -0.001 0.000 0.272 592 S C -1.753 172.773 174.600 -0.123 0.000 1.150 592 S CA -1.088 57.065 58.200 -0.077 0.000 0.849 592 S CB 1.223 64.407 63.200 -0.026 0.000 1.113 592 S HN 0.214 nan 8.310 nan 0.000 0.458 593 I N 2.278 122.818 120.570 -0.050 0.000 2.497 593 I HA 0.424 4.593 4.170 -0.001 0.000 0.284 593 I C -1.163 175.099 176.117 0.242 0.000 1.060 593 I CA -0.670 60.618 61.300 -0.020 0.000 1.071 593 I CB 1.803 39.648 38.000 -0.258 0.000 1.216 593 I HN 0.564 nan 8.210 nan 0.000 0.442 594 N N 4.980 123.825 118.700 0.241 0.000 2.384 594 N HA 0.559 5.298 4.740 -0.001 0.000 0.301 594 N C -1.106 174.456 175.510 0.086 0.000 1.133 594 N CA -0.633 52.545 53.050 0.214 0.000 0.853 594 N CB 2.853 41.408 38.487 0.114 0.000 1.241 594 N HN 0.382 nan 8.380 nan 0.000 0.502 595 L N 2.002 123.080 121.223 -0.242 0.000 2.282 595 L HA 0.458 4.797 4.340 -0.001 0.000 0.288 595 L C -1.388 175.303 176.870 -0.298 0.000 1.033 595 L CA -0.340 54.246 54.840 -0.424 0.000 0.807 595 L CB 0.149 41.717 42.059 -0.819 0.000 1.209 595 L HN 0.424 nan 8.230 nan 0.000 0.423 596 Y N 3.671 123.703 120.300 -0.446 0.000 2.446 596 Y HA 0.807 5.357 4.550 -0.001 0.000 0.338 596 Y C 0.119 175.818 175.900 -0.335 0.000 1.055 596 Y CA -0.540 57.319 58.100 -0.402 0.000 1.101 596 Y CB 2.197 40.237 38.460 -0.700 0.000 1.221 596 Y HN 0.735 nan 8.280 nan 0.000 0.460 597 A N 1.504 124.359 122.820 0.058 0.000 2.459 597 A HA 0.718 5.037 4.320 -0.001 0.000 0.296 597 A C -1.124 176.478 177.584 0.030 0.000 1.039 597 A CA -0.659 51.375 52.037 -0.005 0.000 0.698 597 A CB 1.197 20.263 19.000 0.111 0.000 1.261 597 A HN 0.582 nan 8.150 nan 0.000 0.405 598 T N 1.834 116.326 114.554 -0.104 0.000 2.855 598 T HA 0.697 5.047 4.350 -0.001 0.000 0.281 598 T C -1.160 173.442 174.700 -0.164 0.000 1.007 598 T CA 0.088 62.206 62.100 0.031 0.000 1.009 598 T CB 0.404 69.347 68.868 0.125 0.000 0.983 598 T HN 0.339 nan 8.240 nan 0.000 0.455 599 F N 1.891 121.921 119.950 0.133 0.000 2.477 599 F HA 0.456 4.983 4.527 -0.001 0.000 0.335 599 F C 0.010 175.917 175.800 0.179 0.000 1.130 599 F CA -1.550 56.543 58.000 0.155 0.000 0.948 599 F CB 0.941 40.021 39.000 0.133 0.000 1.154 599 F HN 0.546 nan 8.300 nan 0.000 0.439 600 F N 6.668 126.739 119.950 0.202 0.000 2.612 600 F HA 0.145 4.671 4.527 -0.001 0.000 0.389 600 F C -1.535 174.370 175.800 0.176 0.000 1.055 600 F CA -1.552 56.542 58.000 0.156 0.000 1.232 600 F CB 0.584 39.653 39.000 0.115 0.000 1.044 600 F HN 0.239 nan 8.300 nan 0.000 0.560 601 P HA -0.013 nan 4.420 nan 0.000 0.231 601 P C -0.301 177.042 177.300 0.072 0.000 1.756 601 P CA 0.083 63.159 63.100 -0.041 0.000 0.990 601 P CB -0.121 31.500 31.700 -0.132 0.000 1.973 602 M N 1.667 121.490 119.600 0.371 0.000 2.239 602 M HA 0.296 4.775 4.480 -0.001 0.000 0.348 602 M C 0.401 176.897 176.300 0.327 0.000 1.239 602 M CA -0.245 55.344 55.300 0.482 0.000 1.114 602 M CB 0.705 33.586 32.600 0.468 0.000 1.641 602 M HN 0.185 nan 8.290 nan 0.000 0.453 603 A N 3.635 126.607 122.820 0.254 0.000 2.587 603 A HA -0.073 4.246 4.320 -0.001 0.000 0.235 603 A C 0.471 178.220 177.584 0.275 0.000 1.044 603 A CA 0.097 52.242 52.037 0.180 0.000 0.754 603 A CB -0.069 19.011 19.000 0.133 0.000 0.968 603 A HN 1.012 nan 8.150 nan 0.000 0.509 604 H N 2.189 121.300 119.070 0.068 0.000 2.357 604 H HA -0.144 4.412 4.556 -0.001 0.000 0.301 604 H C 2.163 177.522 175.328 0.051 0.000 1.082 604 H CA 2.083 58.166 56.048 0.058 0.000 1.342 604 H CB -0.137 29.650 29.762 0.041 0.000 1.389 604 H HN 0.915 nan 8.280 nan 0.000 0.511 605 N N 0.253 119.054 118.700 0.168 0.000 2.104 605 N HA -0.132 4.607 4.740 -0.001 0.000 0.190 605 N C 1.589 177.151 175.510 0.086 0.000 1.024 605 N CA 1.919 55.028 53.050 0.098 0.000 0.853 605 N CB -0.968 37.558 38.487 0.065 0.000 1.008 605 N HN 0.219 nan 8.380 nan 0.000 0.424 606 T N 0.799 115.414 114.554 0.101 0.000 2.777 606 T HA 0.104 4.453 4.350 -0.001 0.000 0.266 606 T C 2.088 176.837 174.700 0.083 0.000 1.040 606 T CA 1.599 63.751 62.100 0.088 0.000 1.141 606 T CB -0.486 68.447 68.868 0.109 0.000 0.868 606 T HN 0.548 nan 8.240 nan 0.000 0.444 607 A N 1.185 124.071 122.820 0.110 0.000 1.933 607 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 607 A C 2.605 180.221 177.584 0.054 0.000 1.175 607 A CA 1.836 53.926 52.037 0.090 0.000 0.628 607 A CB -0.823 18.244 19.000 0.110 0.000 0.814 607 A HN 0.422 nan 8.150 nan 0.000 0.444 608 S N -0.491 115.240 115.700 0.051 0.000 2.368 608 S HA -0.129 4.340 4.470 -0.001 0.000 0.225 608 S C 2.077 176.697 174.600 0.033 0.000 1.030 608 S CA 1.796 60.017 58.200 0.036 0.000 0.999 608 S CB -0.508 62.715 63.200 0.037 0.000 0.844 608 S HN 0.711 nan 8.310 nan 0.000 0.459 609 T N 2.620 117.197 114.554 0.037 0.000 2.684 609 T HA -0.081 4.269 4.350 -0.001 0.000 0.267 609 T C 1.765 176.479 174.700 0.023 0.000 1.036 609 T CA 1.246 63.364 62.100 0.029 0.000 1.148 609 T CB -0.471 68.415 68.868 0.031 0.000 0.863 609 T HN 0.181 nan 8.240 nan 0.000 0.436 610 L N 1.389 122.627 121.223 0.024 0.000 1.994 610 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 610 L C 2.497 179.376 176.870 0.015 0.000 1.071 610 L CA 2.024 56.873 54.840 0.015 0.000 0.745 610 L CB -0.788 41.278 42.059 0.012 0.000 0.892 610 L HN 0.326 nan 8.230 nan 0.000 0.431 611 E N -0.489 119.725 120.200 0.022 0.000 2.058 611 E HA -0.280 4.069 4.350 -0.001 0.000 0.194 611 E C 2.077 178.683 176.600 0.011 0.000 0.997 611 E CA 1.389 57.801 56.400 0.020 0.000 0.801 611 E CB -0.275 29.441 29.700 0.027 0.000 0.746 611 E HN 0.582 nan 8.360 nan 0.000 0.450 612 A N 1.040 123.868 122.820 0.014 0.000 1.917 612 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 612 A C 2.253 179.841 177.584 0.006 0.000 1.182 612 A CA 2.185 54.229 52.037 0.011 0.000 0.633 612 A CB -0.611 18.399 19.000 0.017 0.000 0.819 612 A HN 0.382 nan 8.150 nan 0.000 0.448 613 M N -1.029 118.575 119.600 0.007 0.000 2.200 613 M HA 0.003 4.482 4.480 -0.001 0.000 0.265 613 M C 1.800 178.102 176.300 0.002 0.000 1.066 613 M CA 1.132 56.435 55.300 0.005 0.000 1.127 613 M CB -0.336 32.266 32.600 0.003 0.000 1.379 613 M HN 0.320 nan 8.290 nan 0.000 0.420 614 L N -0.590 120.633 121.223 0.001 0.000 2.554 614 L HA -0.038 4.302 4.340 -0.001 0.000 0.226 614 L C 2.175 179.042 176.870 -0.005 0.000 1.137 614 L CA 0.364 55.203 54.840 -0.000 0.000 0.863 614 L CB -0.338 41.721 42.059 0.000 0.000 0.985 614 L HN 0.245 nan 8.230 nan 0.000 0.451 615 R N -0.372 120.116 120.500 -0.020 0.000 2.297 615 R HA 0.030 4.369 4.340 -0.001 0.000 0.197 615 R C 0.571 176.863 176.300 -0.014 0.000 0.943 615 R CA -0.142 55.919 56.100 -0.066 0.000 1.038 615 R CB -0.193 30.048 30.300 -0.099 0.000 0.957 615 R HN 0.194 nan 8.270 nan 0.000 0.484 616 N N 2.407 121.123 118.700 0.028 0.000 2.475 616 N HA -0.075 4.665 4.740 -0.001 0.000 0.267 616 N C 0.501 176.076 175.510 0.108 0.000 1.169 616 N CA 0.023 53.107 53.050 0.057 0.000 0.947 616 N CB 1.064 39.564 38.487 0.023 0.000 1.061 616 N HN 0.051 nan 8.380 nan 0.000 0.466 617 D N 2.072 122.550 120.400 0.130 0.000 2.221 617 D HA -0.164 4.475 4.640 -0.001 0.000 0.204 617 D C 1.001 177.275 176.300 -0.042 0.000 0.982 617 D CA 1.431 55.416 54.000 -0.025 0.000 0.857 617 D CB -0.694 39.911 40.800 -0.325 0.000 0.934 617 D HN 0.525 nan 8.370 nan 0.000 0.475 618 T N 0.589 115.128 114.554 -0.025 0.000 2.737 618 T HA -0.135 4.215 4.350 -0.001 0.000 0.269 618 T C 1.115 175.799 174.700 -0.026 0.000 1.040 618 T CA 1.418 63.501 62.100 -0.030 0.000 1.142 618 T CB -0.256 68.601 68.868 -0.019 0.000 0.861 618 T HN 0.237 nan 8.240 nan 0.000 0.456 619 N N 1.267 119.962 118.700 -0.008 0.000 2.276 619 N HA 0.084 4.823 4.740 -0.001 0.000 0.212 619 N C -0.598 174.906 175.510 -0.010 0.000 1.127 619 N CA -0.019 53.024 53.050 -0.013 0.000 0.834 619 N CB 0.049 38.533 38.487 -0.005 0.000 1.014 619 N HN 0.359 nan 8.380 nan 0.000 0.491 620 D N 1.686 122.086 120.400 0.000 0.000 2.488 620 D HA -0.023 4.617 4.640 -0.001 0.000 0.238 620 D C 0.672 176.930 176.300 -0.071 0.000 1.138 620 D CA 0.677 54.681 54.000 0.006 0.000 0.873 620 D CB 0.872 41.667 40.800 -0.008 0.000 1.183 620 D HN 0.173 nan 8.370 nan 0.000 0.458 621 Q N 0.651 120.399 119.800 -0.088 0.000 2.354 621 Q HA 0.442 4.781 4.340 -0.001 0.000 0.244 621 Q C -0.147 175.631 176.000 -0.369 0.000 0.969 621 Q CA -0.291 55.366 55.803 -0.244 0.000 0.885 621 Q CB 1.053 29.706 28.738 -0.141 0.000 1.241 621 Q HN 0.494 nan 8.270 nan 0.000 0.461 622 S N 0.656 115.943 115.700 -0.689 0.000 2.564 622 S HA 0.816 5.285 4.470 -0.001 0.000 0.274 622 S C -1.210 172.867 174.600 -0.873 0.000 1.124 622 S CA -0.865 57.008 58.200 -0.546 0.000 0.869 622 S CB 1.032 64.090 63.200 -0.236 0.000 1.105 622 S HN 0.427 nan 8.310 nan 0.000 0.472 623 F N 0.276 120.250 119.950 0.040 0.000 2.619 623 F HA 0.551 5.078 4.527 -0.001 0.000 0.308 623 F C -0.161 175.793 175.800 0.256 0.000 1.097 623 F CA -0.791 57.282 58.000 0.121 0.000 0.953 623 F CB 2.118 41.176 39.000 0.096 0.000 1.287 623 F HN 0.693 nan 8.300 nan 0.000 0.446 624 N N 0.668 119.590 118.700 0.370 0.000 2.372 624 N HA 0.258 4.998 4.740 -0.001 0.000 0.291 624 N C -1.489 174.034 175.510 0.022 0.000 1.024 624 N CA -0.645 52.506 53.050 0.167 0.000 0.873 624 N CB 1.146 39.684 38.487 0.086 0.000 1.206 624 N HN 0.682 nan 8.380 nan 0.000 0.486 625 D N 1.542 121.614 120.400 -0.546 0.000 2.493 625 D HA -0.110 4.529 4.640 -0.001 0.000 0.240 625 D C 0.766 176.934 176.300 -0.219 0.000 1.142 625 D CA 0.425 54.064 54.000 -0.601 0.000 0.872 625 D CB 0.465 40.666 40.800 -0.999 0.000 1.173 625 D HN 0.476 nan 8.370 nan 0.000 0.467 626 Y N 3.846 124.058 120.300 -0.147 0.000 2.097 626 Y HA -0.211 4.338 4.550 -0.001 0.000 0.282 626 Y C 1.799 177.606 175.900 -0.154 0.000 1.152 626 Y CA 1.675 59.707 58.100 -0.114 0.000 1.136 626 Y CB -0.387 38.025 38.460 -0.079 0.000 0.975 626 Y HN 0.561 nan 8.280 nan 0.000 0.498 627 L N 0.522 121.687 121.223 -0.098 0.000 2.083 627 L HA -0.090 4.249 4.340 -0.001 0.000 0.209 627 L C 1.456 178.152 176.870 -0.291 0.000 1.083 627 L CA 1.969 56.701 54.840 -0.179 0.000 0.752 627 L CB -0.929 41.084 42.059 -0.076 0.000 0.899 627 L HN 0.323 nan 8.230 nan 0.000 0.433 628 S N -0.589 114.935 115.700 -0.293 0.000 3.527 628 S HA -0.020 4.449 4.470 -0.001 0.000 0.409 628 S C -0.079 174.348 174.600 -0.290 0.000 0.900 628 S CA 0.396 58.401 58.200 -0.325 0.000 1.320 628 S CB -1.524 61.430 63.200 -0.410 0.000 0.915 628 S HN 1.104 nan 8.310 nan 0.000 0.575 629 A N 1.524 124.224 122.820 -0.199 0.000 2.589 629 A HA 0.841 5.160 4.320 -0.001 0.000 0.296 629 A C -0.258 177.296 177.584 -0.050 0.000 1.062 629 A CA -0.009 51.938 52.037 -0.150 0.000 0.686 629 A CB 1.158 20.073 19.000 -0.141 0.000 1.282 629 A HN 1.784 nan 8.150 nan 0.000 0.404 630 A N 2.035 124.841 122.820 -0.023 0.000 2.320 630 A HA 0.608 4.927 4.320 -0.001 0.000 0.287 630 A C -0.222 177.497 177.584 0.225 0.000 1.181 630 A CA -0.519 51.572 52.037 0.091 0.000 0.831 630 A CB -0.019 19.027 19.000 0.076 0.000 1.102 630 A HN 0.689 nan 8.150 nan 0.000 0.513 631 N N 2.682 121.541 118.700 0.266 0.000 2.421 631 N HA 0.478 5.217 4.740 -0.001 0.000 0.285 631 N C -1.059 174.682 175.510 0.384 0.000 1.027 631 N CA -0.286 53.002 53.050 0.397 0.000 0.918 631 N CB 1.584 40.343 38.487 0.453 0.000 1.152 631 N HN 0.521 nan 8.380 nan 0.000 0.485 632 M N 2.452 122.317 119.600 0.441 0.000 2.457 632 M HA 0.488 4.967 4.480 -0.001 0.000 0.300 632 M C -1.127 175.234 176.300 0.101 0.000 1.141 632 M CA -0.542 54.877 55.300 0.198 0.000 0.901 632 M CB 2.103 34.853 32.600 0.250 0.000 1.687 632 M HN 0.322 nan 8.290 nan 0.000 0.449 633 L N 3.157 124.260 121.223 -0.200 0.000 2.346 633 L HA 0.560 4.899 4.340 -0.001 0.000 0.276 633 L C -1.583 175.086 176.870 -0.335 0.000 1.006 633 L CA -0.703 54.062 54.840 -0.126 0.000 0.817 633 L CB 1.874 43.839 42.059 -0.156 0.000 1.272 633 L HN 0.566 nan 8.230 nan 0.000 0.421 634 Y N 2.776 123.120 120.300 0.073 0.000 2.391 634 Y HA 0.429 4.978 4.550 -0.001 0.000 0.341 634 Y C -2.176 173.736 175.900 0.019 0.000 0.965 634 Y CA -2.485 55.646 58.100 0.052 0.000 1.067 634 Y CB 1.759 40.255 38.460 0.059 0.000 1.199 634 Y HN 0.359 nan 8.280 nan 0.000 0.450 635 P HA 0.230 nan 4.420 nan 0.000 0.271 635 P C -0.632 176.709 177.300 0.069 0.000 1.216 635 P CA 0.199 63.343 63.100 0.073 0.000 0.776 635 P CB 1.437 33.164 31.700 0.045 0.000 0.881 636 I N 4.020 124.611 120.570 0.034 0.000 2.466 636 I HA 0.264 4.433 4.170 -0.001 0.000 0.279 636 I C -2.336 173.782 176.117 0.003 0.000 1.033 636 I CA -2.830 58.478 61.300 0.014 0.000 1.123 636 I CB 1.808 39.802 38.000 -0.010 0.000 1.237 636 I HN 0.060 nan 8.210 nan 0.000 0.460 637 P HA 0.011 nan 4.420 nan 0.000 0.268 637 P C -0.061 177.236 177.300 -0.005 0.000 1.208 637 P CA -0.209 62.891 63.100 -0.001 0.000 0.777 637 P CB 0.558 32.259 31.700 0.002 0.000 0.875 638 A N 3.045 125.862 122.820 -0.005 0.000 2.584 638 A HA -0.054 4.265 4.320 -0.001 0.000 0.239 638 A C 1.054 178.635 177.584 -0.004 0.000 1.043 638 A CA 0.523 52.558 52.037 -0.004 0.000 0.756 638 A CB -1.017 17.982 19.000 -0.001 0.000 0.963 638 A HN 0.763 nan 8.150 nan 0.000 0.511 639 N N -1.394 117.302 118.700 -0.006 0.000 2.936 639 N HA -0.209 4.530 4.740 -0.001 0.000 0.236 639 N C 0.361 175.866 175.510 -0.008 0.000 0.930 639 N CA 1.409 54.456 53.050 -0.005 0.000 0.966 639 N CB -1.961 36.527 38.487 0.000 0.000 1.090 639 N HN 1.389 nan 8.380 nan 0.000 0.592 640 A N 0.533 123.347 122.820 -0.010 0.000 2.445 640 A HA 0.477 4.796 4.320 -0.001 0.000 0.242 640 A C 1.435 179.007 177.584 -0.020 0.000 1.075 640 A CA 1.106 53.137 52.037 -0.010 0.000 0.777 640 A CB 0.306 19.302 19.000 -0.006 0.000 1.013 640 A HN 0.459 nan 8.150 nan 0.000 0.493 641 T N -1.498 113.047 114.554 -0.014 0.000 2.966 641 T HA 0.191 4.540 4.350 -0.001 0.000 0.254 641 T C 0.263 174.958 174.700 -0.008 0.000 0.961 641 T CA -0.169 61.919 62.100 -0.020 0.000 0.915 641 T CB 0.007 68.867 68.868 -0.014 0.000 1.186 641 T HN 0.480 nan 8.240 nan 0.000 0.505 642 N N 1.645 120.347 118.700 0.003 0.000 2.372 642 N HA 0.546 5.286 4.740 -0.001 0.000 0.291 642 N C -1.413 174.114 175.510 0.028 0.000 1.024 642 N CA -0.306 52.754 53.050 0.017 0.000 0.873 642 N CB 2.437 40.930 38.487 0.008 0.000 1.206 642 N HN 0.078 nan 8.380 nan 0.000 0.486 643 V N 3.853 123.803 119.914 0.061 0.000 2.289 643 V HA 0.331 4.450 4.120 -0.001 0.000 0.272 643 V C -2.182 173.960 176.094 0.081 0.000 1.026 643 V CA -1.448 60.890 62.300 0.063 0.000 0.807 643 V CB 1.132 32.988 31.823 0.055 0.000 1.044 643 V HN 0.498 nan 8.190 nan 0.000 0.443 644 P HA 0.581 nan 4.420 nan 0.000 0.288 644 P C -0.638 176.648 177.300 -0.023 0.000 1.267 644 P CA -0.248 62.859 63.100 0.010 0.000 0.815 644 P CB 2.150 33.852 31.700 0.002 0.000 0.989 645 I N -1.621 118.921 120.570 -0.046 0.000 3.042 645 I HA 0.743 4.912 4.170 -0.001 0.000 0.310 645 I C -0.924 175.196 176.117 0.006 0.000 1.117 645 I CA -1.078 60.166 61.300 -0.093 0.000 1.003 645 I CB 2.502 40.250 38.000 -0.420 0.000 1.228 645 I HN 0.159 nan 8.210 nan 0.000 0.443 646 S N 3.275 119.015 115.700 0.067 0.000 2.672 646 S HA 0.694 5.164 4.470 -0.001 0.000 0.291 646 S C -1.057 173.621 174.600 0.130 0.000 1.145 646 S CA -0.399 57.852 58.200 0.083 0.000 1.013 646 S CB 1.128 64.366 63.200 0.064 0.000 1.017 646 S HN 0.469 nan 8.310 nan 0.000 0.487 647 I N 6.687 127.341 120.570 0.140 0.000 2.330 647 I HA 0.406 4.576 4.170 -0.001 0.000 0.289 647 I C -2.125 174.036 176.117 0.074 0.000 1.001 647 I CA -1.990 59.375 61.300 0.109 0.000 1.193 647 I CB 1.413 39.521 38.000 0.180 0.000 1.345 647 I HN 0.402 nan 8.210 nan 0.000 0.461 648 P HA 0.077 nan 4.420 nan 0.000 0.272 648 P C -0.112 177.187 177.300 -0.002 0.000 1.240 648 P CA -0.512 62.589 63.100 0.001 0.000 0.791 648 P CB 0.472 32.153 31.700 -0.032 0.000 0.978 649 S N 0.973 116.689 115.700 0.027 0.000 2.673 649 S HA 0.068 4.538 4.470 -0.001 0.000 0.308 649 S C 0.381 174.958 174.600 -0.039 0.000 1.246 649 S CA 0.230 58.459 58.200 0.049 0.000 1.077 649 S CB -0.751 62.460 63.200 0.019 0.000 0.814 649 S HN 0.540 nan 8.310 nan 0.000 0.503 650 R N 2.645 123.133 120.500 -0.019 0.000 2.762 650 R HA 0.425 4.764 4.340 -0.001 0.000 0.271 650 R C -1.207 174.991 176.300 -0.170 0.000 1.038 650 R CA -1.112 54.853 56.100 -0.225 0.000 0.906 650 R CB 0.455 30.417 30.300 -0.564 0.000 1.259 650 R HN 0.513 nan 8.270 nan 0.000 0.457 651 N N -0.500 118.043 118.700 -0.263 0.000 2.518 651 N HA 0.194 4.933 4.740 -0.001 0.000 0.283 651 N C -0.916 174.418 175.510 -0.293 0.000 1.119 651 N CA -0.468 52.506 53.050 -0.127 0.000 0.983 651 N CB 0.679 39.113 38.487 -0.088 0.000 1.139 651 N HN 0.601 nan 8.380 nan 0.000 0.465 652 W N 2.089 123.400 121.300 0.018 0.000 2.862 652 W HA 0.499 5.158 4.660 -0.001 0.000 0.376 652 W C 0.378 176.968 176.519 0.118 0.000 1.028 652 W CA -0.498 56.864 57.345 0.028 0.000 1.757 652 W CB -0.139 29.290 29.460 -0.051 0.000 1.128 652 W HN 0.581 nan 8.180 nan 0.000 0.566 653 A N 1.012 123.961 122.820 0.215 0.000 2.548 653 A HA 0.389 4.708 4.320 -0.001 0.000 0.247 653 A C 1.473 179.179 177.584 0.203 0.000 1.067 653 A CA 1.315 53.452 52.037 0.166 0.000 0.757 653 A CB -0.129 18.894 19.000 0.037 0.000 0.996 653 A HN 1.152 nan 8.150 nan 0.000 0.504 654 A N 1.812 124.778 122.820 0.244 0.000 3.384 654 A HA -0.185 4.134 4.320 -0.001 0.000 0.260 654 A C 0.411 178.237 177.584 0.404 0.000 1.168 654 A CA 0.718 52.932 52.037 0.296 0.000 1.253 654 A CB -2.597 16.525 19.000 0.204 0.000 1.122 654 A HN 1.980 nan 8.150 nan 0.000 0.934 655 F N 1.302 121.388 119.950 0.226 0.000 2.629 655 F HA 0.359 4.885 4.527 -0.001 0.000 0.377 655 F C 1.341 177.205 175.800 0.107 0.000 1.101 655 F CA 1.176 59.247 58.000 0.117 0.000 1.301 655 F CB 0.396 39.447 39.000 0.086 0.000 1.062 655 F HN 0.259 nan 8.300 nan 0.000 0.583 656 R N 2.767 122.793 120.500 -0.790 0.000 2.279 656 R HA 0.437 4.776 4.340 -0.001 0.000 0.195 656 R C 0.637 176.519 176.300 -0.698 0.000 0.905 656 R CA 0.194 55.970 56.100 -0.540 0.000 1.044 656 R CB 0.453 30.441 30.300 -0.520 0.000 1.056 656 R HN 0.928 nan 8.270 nan 0.000 0.535 657 G N -0.317 107.564 108.800 -1.532 0.000 2.320 657 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.274 657 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.274 657 G C -1.861 172.483 174.900 -0.926 0.000 1.324 657 G CA -0.963 43.507 45.100 -1.050 0.000 0.957 657 G HN 0.049 nan 8.290 nan 0.000 0.481 658 W N 0.136 121.350 121.300 -0.143 0.000 2.915 658 W HA 0.693 5.352 4.660 -0.001 0.000 0.337 658 W C -0.360 176.117 176.519 -0.071 0.000 1.102 658 W CA -0.675 56.620 57.345 -0.083 0.000 1.224 658 W CB 2.394 31.878 29.460 0.041 0.000 1.416 658 W HN 0.608 nan 8.180 nan 0.000 0.503 659 S N 1.787 117.530 115.700 0.071 0.000 2.566 659 S HA 0.847 5.316 4.470 -0.001 0.000 0.298 659 S C -1.064 173.524 174.600 -0.019 0.000 1.083 659 S CA -0.516 57.651 58.200 -0.055 0.000 0.978 659 S CB 1.868 64.923 63.200 -0.241 0.000 1.073 659 S HN 0.371 nan 8.310 nan 0.000 0.491 660 F N -1.196 118.610 119.950 -0.241 0.000 2.693 660 F HA 0.853 5.379 4.527 -0.001 0.000 0.309 660 F C -0.554 175.005 175.800 -0.402 0.000 1.129 660 F CA -0.653 57.145 58.000 -0.337 0.000 0.948 660 F CB 1.338 40.201 39.000 -0.228 0.000 1.315 660 F HN 0.573 nan 8.300 nan 0.000 0.447 661 T N 0.265 114.712 114.554 -0.179 0.000 2.648 661 T HA 0.559 4.908 4.350 -0.001 0.000 0.304 661 T C -2.077 172.841 174.700 0.363 0.000 1.312 661 T CA -0.876 61.157 62.100 -0.111 0.000 1.023 661 T CB 2.009 70.540 68.868 -0.561 0.000 1.612 661 T HN 1.031 nan 8.240 nan 0.000 0.487 662 R N 1.178 121.886 120.500 0.346 0.000 2.686 662 R HA 0.804 5.143 4.340 -0.001 0.000 0.286 662 R C -1.456 174.916 176.300 0.119 0.000 0.969 662 R CA -0.657 55.577 56.100 0.224 0.000 0.898 662 R CB 1.061 31.373 30.300 0.021 0.000 1.183 662 R HN 0.569 nan 8.270 nan 0.000 0.456 663 L N 2.480 123.769 121.223 0.110 0.000 2.323 663 L HA 0.554 4.893 4.340 -0.001 0.000 0.265 663 L C -0.335 176.553 176.870 0.030 0.000 1.012 663 L CA -1.214 53.682 54.840 0.094 0.000 0.820 663 L CB 2.181 44.326 42.059 0.143 0.000 1.334 663 L HN 0.484 nan 8.230 nan 0.000 0.427 664 K N 0.259 120.680 120.400 0.035 0.000 2.276 664 K HA 0.202 4.521 4.320 -0.001 0.000 0.283 664 K C 0.603 177.200 176.600 -0.004 0.000 1.044 664 K CA -0.308 55.988 56.287 0.016 0.000 0.944 664 K CB 1.514 34.033 32.500 0.033 0.000 1.012 664 K HN 0.587 nan 8.250 nan 0.000 0.472 665 T N 2.540 117.088 114.554 -0.011 0.000 2.699 665 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 665 T C 1.629 176.324 174.700 -0.009 0.000 1.036 665 T CA 1.671 63.762 62.100 -0.015 0.000 1.147 665 T CB -0.056 68.803 68.868 -0.015 0.000 0.862 665 T HN 0.644 nan 8.240 nan 0.000 0.446 666 K N 1.336 121.712 120.400 -0.039 0.000 2.362 666 K HA -0.007 4.312 4.320 -0.001 0.000 0.200 666 K C 1.506 178.009 176.600 -0.161 0.000 1.046 666 K CA 1.205 57.458 56.287 -0.057 0.000 0.952 666 K CB -0.033 32.413 32.500 -0.091 0.000 0.753 666 K HN 0.337 nan 8.250 nan 0.000 0.466 667 E N 0.889 120.942 120.200 -0.245 0.000 2.474 667 E HA 0.051 4.400 4.350 -0.001 0.000 0.195 667 E C -0.560 176.133 176.600 0.156 0.000 1.039 667 E CA 0.066 56.236 56.400 -0.383 0.000 0.881 667 E CB 0.890 30.361 29.700 -0.381 0.000 0.970 667 E HN 0.161 nan 8.360 nan 0.000 0.486 668 T N 3.696 118.325 114.554 0.124 0.000 2.977 668 T HA 0.241 4.590 4.350 -0.001 0.000 0.346 668 T C -2.456 172.154 174.700 -0.150 0.000 1.140 668 T CA -1.489 60.600 62.100 -0.018 0.000 1.040 668 T CB 1.416 70.227 68.868 -0.095 0.000 1.046 668 T HN -0.016 nan 8.240 nan 0.000 0.494 669 P HA 0.256 nan 4.420 nan 0.000 0.276 669 P C -0.151 176.907 177.300 -0.403 0.000 1.244 669 P CA -0.455 62.179 63.100 -0.778 0.000 0.801 669 P CB 0.885 31.701 31.700 -1.472 0.000 1.006 670 S N 1.056 116.589 115.700 -0.278 0.000 2.523 670 S HA 0.218 4.687 4.470 -0.001 0.000 0.275 670 S C 0.969 175.469 174.600 -0.167 0.000 1.281 670 S CA -0.653 57.432 58.200 -0.192 0.000 1.050 670 S CB -0.539 62.594 63.200 -0.111 0.000 0.937 670 S HN 0.326 nan 8.310 nan 0.000 0.492 671 L N 4.606 125.762 121.223 -0.111 0.000 2.640 671 L HA 0.323 4.663 4.340 -0.001 0.000 0.230 671 L C 2.252 179.133 176.870 0.018 0.000 1.123 671 L CA 0.053 54.881 54.840 -0.020 0.000 0.900 671 L CB -0.456 41.624 42.059 0.034 0.000 1.146 671 L HN 0.834 nan 8.230 nan 0.000 0.484 672 G N -0.500 108.287 108.800 -0.022 0.000 2.559 672 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.216 672 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.216 672 G C 0.642 175.539 174.900 -0.005 0.000 1.126 672 G CA 0.403 45.495 45.100 -0.013 0.000 0.778 672 G HN 0.285 nan 8.290 nan 0.000 0.543 673 S N -2.758 112.943 115.700 0.001 0.000 2.732 673 S HA 0.538 5.007 4.470 -0.001 0.000 0.293 673 S C 1.392 176.012 174.600 0.033 0.000 1.159 673 S CA 0.006 58.203 58.200 -0.004 0.000 0.847 673 S CB 1.272 64.457 63.200 -0.025 0.000 1.169 673 S HN 0.131 nan 8.310 nan 0.000 0.501 674 G N 0.079 108.866 108.800 -0.021 0.000 2.462 674 G HA2 0.016 3.976 3.960 -0.001 0.000 0.220 674 G HA3 0.016 3.976 3.960 -0.001 0.000 0.220 674 G C -0.105 174.795 174.900 -0.000 0.000 1.121 674 G CA 1.180 46.288 45.100 0.013 0.000 0.758 674 G HN 0.424 nan 8.290 nan 0.000 0.559 675 F N -0.206 119.526 119.950 -0.364 0.000 2.615 675 F HA 0.450 4.976 4.527 -0.001 0.000 0.312 675 F C -2.248 173.455 175.800 -0.161 0.000 1.119 675 F CA -2.023 55.783 58.000 -0.323 0.000 0.979 675 F CB 2.152 40.765 39.000 -0.646 0.000 1.266 675 F HN -0.136 nan 8.300 nan 0.000 0.444 676 D N 7.475 127.448 120.400 -0.712 0.000 2.473 676 D HA 0.447 5.086 4.640 -0.001 0.000 0.226 676 D C -2.133 173.659 176.300 -0.847 0.000 1.089 676 D CA -2.466 51.217 54.000 -0.528 0.000 0.883 676 D CB 1.884 42.531 40.800 -0.255 0.000 1.029 676 D HN 0.206 nan 8.370 nan 0.000 0.517 677 P HA -0.047 nan 4.420 nan 0.000 0.226 677 P C 0.419 177.327 177.300 -0.655 0.000 1.153 677 P CA 0.811 63.417 63.100 -0.824 0.000 0.777 677 P CB -0.019 31.237 31.700 -0.739 0.000 0.794 678 Y N -2.848 117.386 120.300 -0.111 0.000 2.466 678 Y HA 0.195 4.744 4.550 -0.001 0.000 0.272 678 Y C 0.853 176.786 175.900 0.055 0.000 1.169 678 Y CA -0.624 57.462 58.100 -0.023 0.000 1.285 678 Y CB -0.480 37.968 38.460 -0.020 0.000 1.078 678 Y HN -0.148 nan 8.280 nan 0.000 0.523 679 F N 2.129 122.044 119.950 -0.058 0.000 2.404 679 F HA 0.371 4.897 4.527 -0.001 0.000 0.359 679 F C 0.407 176.221 175.800 0.024 0.000 1.134 679 F CA -1.897 56.100 58.000 -0.006 0.000 1.160 679 F CB 0.523 39.494 39.000 -0.047 0.000 1.186 679 F HN -0.129 nan 8.300 nan 0.000 0.526 680 V N 4.939 124.720 119.914 -0.221 0.000 2.759 680 V HA 0.412 4.532 4.120 -0.001 0.000 0.342 680 V C -1.259 174.720 176.094 -0.191 0.000 1.228 680 V CA -0.666 61.531 62.300 -0.172 0.000 1.302 680 V CB -0.903 30.893 31.823 -0.045 0.000 1.496 680 V HN 0.682 nan 8.190 nan 0.000 0.628 681 Y N 0.668 120.577 120.300 -0.651 0.000 2.521 681 Y HA 0.652 5.201 4.550 -0.001 0.000 0.332 681 Y C 0.156 175.729 175.900 -0.545 0.000 1.121 681 Y CA 0.164 57.970 58.100 -0.490 0.000 1.037 681 Y CB 2.330 40.539 38.460 -0.418 0.000 1.330 681 Y HN 0.176 nan 8.280 nan 0.000 0.452 682 S N 1.806 116.966 115.700 -0.900 0.000 2.937 682 S HA 0.461 4.930 4.470 -0.001 0.000 0.252 682 S C 0.434 174.645 174.600 -0.648 0.000 1.022 682 S CA -0.027 57.832 58.200 -0.568 0.000 1.079 682 S CB 0.116 63.156 63.200 -0.266 0.000 1.035 682 S HN 1.040 nan 8.310 nan 0.000 0.594 683 G N 2.240 110.198 108.800 -1.404 0.000 2.504 683 G HA2 0.473 4.432 3.960 -0.001 0.000 0.257 683 G HA3 0.473 4.432 3.960 -0.001 0.000 0.257 683 G C 0.171 175.044 174.900 -0.046 0.000 1.451 683 G CA -0.073 44.711 45.100 -0.526 0.000 1.059 683 G HN 0.729 nan 8.290 nan 0.000 0.550 684 S N -1.415 114.405 115.700 0.201 0.000 2.579 684 S HA 0.352 4.821 4.470 -0.001 0.000 0.275 684 S C -0.033 174.792 174.600 0.376 0.000 1.345 684 S CA -0.328 58.004 58.200 0.221 0.000 1.031 684 S CB 0.719 64.008 63.200 0.148 0.000 0.892 684 S HN 0.376 nan 8.310 nan 0.000 0.529 685 I N 3.050 123.782 120.570 0.270 0.000 2.503 685 I HA 0.276 4.445 4.170 -0.001 0.000 0.277 685 I C -1.982 174.225 176.117 0.150 0.000 1.078 685 I CA -2.285 59.193 61.300 0.298 0.000 1.184 685 I CB 1.603 39.774 38.000 0.286 0.000 1.353 685 I HN 0.471 nan 8.210 nan 0.000 0.490 686 P HA -0.261 nan 4.420 nan 0.000 0.216 686 P C 1.598 178.840 177.300 -0.096 0.000 1.154 686 P CA 1.506 64.536 63.100 -0.117 0.000 0.865 686 P CB 0.055 31.815 31.700 0.099 0.000 0.789 687 Y N 0.024 120.369 120.300 0.076 0.000 2.181 687 Y HA -0.236 4.313 4.550 -0.001 0.000 0.284 687 Y C 1.921 177.838 175.900 0.030 0.000 1.179 687 Y CA 1.630 59.762 58.100 0.055 0.000 1.179 687 Y CB -0.685 37.702 38.460 -0.122 0.000 0.973 687 Y HN -0.135 nan 8.280 nan 0.000 0.519 688 L N -0.668 120.580 121.223 0.042 0.000 2.253 688 L HA 0.009 4.348 4.340 -0.001 0.000 0.205 688 L C 1.461 178.284 176.870 -0.078 0.000 1.078 688 L CA 1.137 55.967 54.840 -0.017 0.000 0.805 688 L CB -0.252 41.870 42.059 0.105 0.000 0.963 688 L HN 0.287 nan 8.230 nan 0.000 0.459 689 D N -1.775 118.550 120.400 -0.125 0.000 2.441 689 D HA 0.119 4.758 4.640 -0.001 0.000 0.210 689 D C 1.364 177.477 176.300 -0.311 0.000 1.102 689 D CA 0.667 54.575 54.000 -0.153 0.000 0.840 689 D CB 0.593 41.340 40.800 -0.087 0.000 0.990 689 D HN 0.147 nan 8.370 nan 0.000 0.505 690 G N 0.474 108.927 108.800 -0.579 0.000 2.157 690 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.248 690 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.248 690 G C 0.691 175.089 174.900 -0.837 0.000 0.979 690 G CA 0.462 45.033 45.100 -0.881 0.000 0.650 690 G HN 0.698 nan 8.290 nan 0.000 0.529 691 T N -0.157 113.962 114.554 -0.726 0.000 4.099 691 T HA 0.556 4.906 4.350 -0.001 0.000 0.223 691 T C 0.551 175.192 174.700 -0.097 0.000 0.968 691 T CA -0.514 61.168 62.100 -0.696 0.000 0.966 691 T CB -0.811 67.470 68.868 -0.979 0.000 1.328 691 T HN 0.297 nan 8.240 nan 0.000 0.783 692 F N 2.525 122.617 119.950 0.236 0.000 2.471 692 F HA 0.317 4.843 4.527 -0.001 0.000 0.353 692 F C 1.085 177.166 175.800 0.468 0.000 1.113 692 F CA -0.878 57.288 58.000 0.278 0.000 1.262 692 F CB 0.507 39.582 39.000 0.125 0.000 1.146 692 F HN 0.517 nan 8.300 nan 0.000 0.578 693 Y N -0.238 120.350 120.300 0.481 0.000 2.858 693 Y HA 0.437 4.987 4.550 -0.001 0.000 0.270 693 Y C -0.219 175.907 175.900 0.376 0.000 1.063 693 Y CA -0.427 57.920 58.100 0.412 0.000 1.263 693 Y CB -0.715 37.976 38.460 0.385 0.000 1.378 693 Y HN 0.404 nan 8.280 nan 0.000 0.578 694 L N 1.026 122.188 121.223 -0.102 0.000 2.965 694 L HA 0.312 4.651 4.340 -0.001 0.000 0.254 694 L C 0.941 177.733 176.870 -0.130 0.000 1.220 694 L CA -0.068 54.644 54.840 -0.212 0.000 1.023 694 L CB 0.038 41.903 42.059 -0.324 0.000 1.355 694 L HN 0.215 nan 8.230 nan 0.000 0.545 695 N N 0.507 119.264 118.700 0.095 0.000 2.309 695 N HA -0.172 4.567 4.740 -0.001 0.000 0.182 695 N C 1.751 177.623 175.510 0.603 0.000 1.018 695 N CA 1.148 54.338 53.050 0.232 0.000 0.876 695 N CB -0.154 38.112 38.487 -0.368 0.000 0.972 695 N HN 0.571 nan 8.380 nan 0.000 0.434 696 H N 0.083 119.380 119.070 0.379 0.000 2.543 696 H HA 0.017 4.573 4.556 -0.001 0.000 0.286 696 H C 1.216 176.597 175.328 0.089 0.000 1.037 696 H CA 1.443 57.548 56.048 0.095 0.000 1.250 696 H CB -0.714 28.896 29.762 -0.254 0.000 1.373 696 H HN 0.193 nan 8.280 nan 0.000 0.580 697 T N -2.561 111.815 114.554 -0.297 0.000 3.107 697 T HA 0.109 4.458 4.350 -0.001 0.000 0.249 697 T C 0.292 174.889 174.700 -0.171 0.000 1.096 697 T CA -0.560 61.377 62.100 -0.272 0.000 1.012 697 T CB -0.670 67.954 68.868 -0.407 0.000 0.977 697 T HN 0.031 nan 8.240 nan 0.000 0.527 698 F N 2.001 122.030 119.950 0.133 0.000 2.427 698 F HA 0.476 5.002 4.527 -0.001 0.000 0.352 698 F C 1.525 177.344 175.800 0.031 0.000 1.100 698 F CA -0.690 57.398 58.000 0.147 0.000 1.191 698 F CB 1.340 40.521 39.000 0.301 0.000 1.128 698 F HN -0.090 nan 8.300 nan 0.000 0.533 699 K N 2.029 122.504 120.400 0.125 0.000 2.214 699 K HA 0.136 4.455 4.320 -0.001 0.000 0.201 699 K C -0.167 176.405 176.600 -0.046 0.000 1.049 699 K CA 0.436 56.744 56.287 0.034 0.000 0.978 699 K CB 0.405 32.917 32.500 0.020 0.000 0.842 699 K HN 0.571 nan 8.250 nan 0.000 0.474 700 K N -0.490 119.890 120.400 -0.034 0.000 2.607 700 K HA 0.465 4.784 4.320 -0.001 0.000 0.287 700 K C -1.747 174.762 176.600 -0.152 0.000 0.996 700 K CA -0.995 55.222 56.287 -0.118 0.000 0.876 700 K CB 2.188 34.638 32.500 -0.084 0.000 1.496 700 K HN -0.142 nan 8.250 nan 0.000 0.415 701 V N 1.031 120.795 119.914 -0.250 0.000 2.733 701 V HA 0.543 4.662 4.120 -0.001 0.000 0.306 701 V C -1.252 174.663 176.094 -0.298 0.000 1.084 701 V CA -0.138 61.859 62.300 -0.504 0.000 0.905 701 V CB 2.018 33.222 31.823 -1.032 0.000 1.010 701 V HN 1.006 nan 8.190 nan 0.000 0.424 702 S N 7.135 122.636 115.700 -0.332 0.000 2.608 702 S HA 0.846 5.315 4.470 -0.001 0.000 0.291 702 S C -0.644 173.785 174.600 -0.285 0.000 1.146 702 S CA -0.741 57.340 58.200 -0.198 0.000 1.043 702 S CB 1.723 64.835 63.200 -0.147 0.000 1.037 702 S HN 0.710 nan 8.310 nan 0.000 0.520 703 I N 1.639 122.115 120.570 -0.156 0.000 2.478 703 I HA 0.394 4.563 4.170 -0.001 0.000 0.287 703 I C -0.953 175.103 176.117 -0.102 0.000 1.042 703 I CA -0.365 60.791 61.300 -0.239 0.000 1.067 703 I CB 2.470 40.317 38.000 -0.255 0.000 1.233 703 I HN 0.684 nan 8.210 nan 0.000 0.431 704 T N 5.555 119.984 114.554 -0.207 0.000 3.031 704 T HA 0.469 4.818 4.350 -0.001 0.000 0.305 704 T C -0.546 174.035 174.700 -0.198 0.000 0.985 704 T CA -0.476 61.571 62.100 -0.089 0.000 1.008 704 T CB 0.660 69.497 68.868 -0.051 0.000 1.005 704 T HN 0.061 nan 8.240 nan 0.000 0.444 705 F N 2.460 122.403 119.950 -0.011 0.000 2.429 705 F HA 0.243 4.770 4.527 -0.001 0.000 0.348 705 F C 1.235 177.029 175.800 -0.010 0.000 1.109 705 F CA -0.106 57.847 58.000 -0.079 0.000 1.232 705 F CB 0.433 39.332 39.000 -0.167 0.000 1.157 705 F HN 0.604 nan 8.300 nan 0.000 0.564 706 D N 1.574 122.085 120.400 0.185 0.000 2.792 706 D HA -0.256 4.383 4.640 -0.001 0.000 0.231 706 D C 0.775 177.137 176.300 0.104 0.000 1.160 706 D CA 1.228 55.327 54.000 0.165 0.000 0.697 706 D CB -1.282 39.654 40.800 0.226 0.000 1.070 706 D HN 0.715 nan 8.370 nan 0.000 0.426 707 S N -3.339 112.399 115.700 0.063 0.000 3.146 707 S HA -0.302 4.168 4.470 -0.001 0.000 0.285 707 S C 1.342 175.969 174.600 0.045 0.000 1.293 707 S CA 1.591 59.814 58.200 0.038 0.000 1.137 707 S CB -1.238 61.984 63.200 0.036 0.000 1.357 707 S HN 0.567 nan 8.310 nan 0.000 0.678 708 S N -1.664 114.079 115.700 0.071 0.000 2.663 708 S HA 0.329 4.799 4.470 -0.001 0.000 0.247 708 S C 0.228 174.874 174.600 0.077 0.000 1.074 708 S CA 0.104 58.343 58.200 0.065 0.000 0.955 708 S CB 0.890 64.132 63.200 0.069 0.000 0.901 708 S HN 0.285 nan 8.310 nan 0.000 0.505 709 V N 3.031 123.018 119.914 0.121 0.000 2.304 709 V HA 0.488 4.607 4.120 -0.001 0.000 0.278 709 V C 0.030 176.250 176.094 0.210 0.000 1.018 709 V CA -0.663 61.728 62.300 0.153 0.000 0.814 709 V CB 1.129 33.053 31.823 0.167 0.000 1.021 709 V HN 0.378 nan 8.190 nan 0.000 0.440 710 S N 5.007 120.786 115.700 0.132 0.000 2.533 710 S HA 0.307 4.776 4.470 -0.001 0.000 0.282 710 S C -0.846 173.880 174.600 0.209 0.000 1.304 710 S CA -0.207 58.065 58.200 0.119 0.000 1.063 710 S CB 0.217 63.430 63.200 0.022 0.000 0.881 710 S HN 0.656 nan 8.310 nan 0.000 0.493 711 W N 7.092 128.483 121.300 0.152 0.000 2.587 711 W HA 0.497 5.156 4.660 -0.001 0.000 0.324 711 W C -1.926 174.742 176.519 0.249 0.000 1.040 711 W CA -2.148 55.362 57.345 0.274 0.000 1.222 711 W CB 1.788 31.596 29.460 0.580 0.000 1.381 711 W HN 0.542 nan 8.180 nan 0.000 0.483 712 P HA 0.097 nan 4.420 nan 0.000 0.236 712 P C 0.962 177.883 177.300 -0.633 0.000 1.177 712 P CA 1.412 63.552 63.100 -1.601 0.000 0.773 712 P CB 0.432 31.256 31.700 -1.460 0.000 0.878 713 G N 1.787 110.375 108.800 -0.354 0.000 2.582 713 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.288 713 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.288 713 G C 0.326 175.106 174.900 -0.201 0.000 1.247 713 G CA 0.376 45.358 45.100 -0.196 0.000 0.972 713 G HN 0.329 nan 8.290 nan 0.000 0.557 714 N N 0.219 118.839 118.700 -0.133 0.000 2.693 714 N HA -0.190 4.549 4.740 -0.001 0.000 0.249 714 N C 0.689 176.133 175.510 -0.109 0.000 1.119 714 N CA 2.360 55.340 53.050 -0.116 0.000 0.717 714 N CB -0.852 37.553 38.487 -0.138 0.000 1.071 714 N HN 1.346 nan 8.380 nan 0.000 0.555 715 D N -1.827 118.510 120.400 -0.104 0.000 2.983 715 D HA -0.234 4.406 4.640 -0.001 0.000 0.225 715 D C 1.289 177.531 176.300 -0.096 0.000 1.174 715 D CA 1.222 55.169 54.000 -0.089 0.000 0.831 715 D CB -0.137 40.625 40.800 -0.062 0.000 1.104 715 D HN 0.377 nan 8.370 nan 0.000 0.421 716 R N -0.393 120.031 120.500 -0.127 0.000 2.070 716 R HA 0.039 4.378 4.340 -0.001 0.000 0.233 716 R C 1.223 177.481 176.300 -0.069 0.000 1.137 716 R CA 0.819 56.860 56.100 -0.099 0.000 0.945 716 R CB -0.347 29.869 30.300 -0.139 0.000 0.845 716 R HN 0.341 nan 8.270 nan 0.000 0.430 717 L N 0.983 122.134 121.223 -0.120 0.000 2.399 717 L HA 0.182 4.522 4.340 -0.001 0.000 0.265 717 L C 1.970 178.749 176.870 -0.151 0.000 1.089 717 L CA -0.528 54.233 54.840 -0.131 0.000 0.802 717 L CB 0.673 42.607 42.059 -0.209 0.000 1.180 717 L HN -0.016 nan 8.230 nan 0.000 0.454 718 L N 0.491 121.594 121.223 -0.200 0.000 2.081 718 L HA -0.147 4.193 4.340 -0.001 0.000 0.212 718 L C 1.139 177.883 176.870 -0.209 0.000 1.080 718 L CA 1.452 56.108 54.840 -0.307 0.000 0.754 718 L CB -0.594 41.060 42.059 -0.676 0.000 0.893 718 L HN 0.779 nan 8.230 nan 0.000 0.433 719 T N -3.633 110.823 114.554 -0.163 0.000 3.042 719 T HA 0.331 4.680 4.350 -0.001 0.000 0.356 719 T C -2.043 172.574 174.700 -0.138 0.000 1.233 719 T CA -1.915 60.135 62.100 -0.083 0.000 1.038 719 T CB 1.173 70.027 68.868 -0.022 0.000 1.089 719 T HN -0.078 nan 8.240 nan 0.000 0.531 720 P HA 0.072 nan 4.420 nan 0.000 0.249 720 P C 0.723 177.923 177.300 -0.167 0.000 1.229 720 P CA 0.267 63.271 63.100 -0.161 0.000 0.788 720 P CB 0.047 31.676 31.700 -0.119 0.000 1.072 721 N N 0.006 118.625 118.700 -0.135 0.000 2.236 721 N HA 0.009 4.749 4.740 -0.001 0.000 0.196 721 N C 0.194 175.626 175.510 -0.130 0.000 1.114 721 N CA -0.024 52.958 53.050 -0.114 0.000 0.859 721 N CB 0.135 38.580 38.487 -0.069 0.000 0.982 721 N HN 0.305 nan 8.380 nan 0.000 0.493 722 E N -1.004 119.085 120.200 -0.185 0.000 2.429 722 E HA 0.255 4.605 4.350 -0.001 0.000 0.280 722 E C -1.705 174.740 176.600 -0.258 0.000 1.068 722 E CA -0.860 55.443 56.400 -0.162 0.000 0.837 722 E CB 0.194 29.835 29.700 -0.098 0.000 1.357 722 E HN -0.140 nan 8.360 nan 0.000 0.455 723 F N 1.509 121.392 119.950 -0.112 0.000 2.368 723 F HA 0.260 4.786 4.527 -0.001 0.000 0.362 723 F C 0.352 176.039 175.800 -0.188 0.000 1.137 723 F CA -0.377 57.574 58.000 -0.081 0.000 1.161 723 F CB 0.916 39.915 39.000 -0.000 0.000 1.265 723 F HN 0.208 nan 8.300 nan 0.000 0.530 724 E N 4.295 124.482 120.200 -0.020 0.000 2.223 724 E HA 0.161 4.510 4.350 -0.001 0.000 0.282 724 E C 0.802 177.301 176.600 -0.169 0.000 1.046 724 E CA -0.065 56.289 56.400 -0.076 0.000 0.857 724 E CB 1.311 31.005 29.700 -0.010 0.000 1.055 724 E HN 0.683 nan 8.360 nan 0.000 0.409 725 I N 2.847 123.182 120.570 -0.391 0.000 2.429 725 I HA -0.088 4.081 4.170 -0.001 0.000 0.247 725 I C 0.883 176.872 176.117 -0.214 0.000 1.099 725 I CA 0.873 61.728 61.300 -0.742 0.000 1.422 725 I CB 0.057 37.420 38.000 -1.061 0.000 1.112 725 I HN 0.418 nan 8.210 nan 0.000 0.430 726 K N 0.820 121.205 120.400 -0.025 0.000 2.536 726 K HA 0.666 4.986 4.320 -0.001 0.000 0.269 726 K C -0.969 175.694 176.600 0.104 0.000 0.965 726 K CA -0.887 55.489 56.287 0.148 0.000 0.860 726 K CB 2.243 34.932 32.500 0.316 0.000 1.423 726 K HN -0.136 nan 8.250 nan 0.000 0.438 727 R N 0.520 121.097 120.500 0.129 0.000 2.621 727 R HA 0.233 4.572 4.340 -0.001 0.000 0.292 727 R C 0.097 176.455 176.300 0.096 0.000 0.969 727 R CA -0.689 55.468 56.100 0.095 0.000 0.887 727 R CB 2.127 32.483 30.300 0.093 0.000 1.180 727 R HN 0.933 nan 8.270 nan 0.000 0.450 728 T N 0.602 115.199 114.554 0.072 0.000 2.953 728 T HA 0.109 4.459 4.350 -0.001 0.000 0.247 728 T C 0.444 175.173 174.700 0.049 0.000 1.029 728 T CA 0.592 62.733 62.100 0.068 0.000 1.144 728 T CB 0.439 69.342 68.868 0.059 0.000 0.870 728 T HN 0.209 nan 8.240 nan 0.000 0.446 729 V N 2.892 122.826 119.914 0.033 0.000 2.432 729 V HA 0.513 4.632 4.120 -0.001 0.000 0.275 729 V C -0.442 175.655 176.094 0.005 0.000 1.043 729 V CA -0.540 61.769 62.300 0.015 0.000 0.925 729 V CB 1.266 33.092 31.823 0.006 0.000 0.985 729 V HN 0.457 nan 8.190 nan 0.000 0.466 730 D N 3.075 123.467 120.400 -0.013 0.000 2.968 730 D HA 0.286 4.925 4.640 -0.001 0.000 0.301 730 D C 1.195 177.443 176.300 -0.086 0.000 1.226 730 D CA 0.242 54.217 54.000 -0.042 0.000 0.746 730 D CB 0.635 41.439 40.800 0.006 0.000 1.278 730 D HN 0.496 nan 8.370 nan 0.000 0.544 731 G N 0.541 109.278 108.800 -0.105 0.000 2.432 731 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.219 731 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.219 731 G C 1.228 176.032 174.900 -0.160 0.000 1.135 731 G CA 0.620 45.657 45.100 -0.105 0.000 0.767 731 G HN 0.368 nan 8.290 nan 0.000 0.550 732 E N -0.450 119.566 120.200 -0.306 0.000 2.358 732 E HA 0.272 4.622 4.350 -0.001 0.000 0.195 732 E C 1.670 178.087 176.600 -0.306 0.000 1.010 732 E CA 0.481 56.618 56.400 -0.437 0.000 0.856 732 E CB -0.075 28.997 29.700 -1.045 0.000 0.795 732 E HN 0.387 nan 8.360 nan 0.000 0.504 733 G N 0.557 109.234 108.800 -0.206 0.000 2.289 733 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.280 733 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.280 733 G C 0.031 174.987 174.900 0.094 0.000 1.089 733 G CA 0.140 45.218 45.100 -0.036 0.000 0.939 733 G HN 0.194 nan 8.290 nan 0.000 0.499 734 Y N -0.091 120.230 120.300 0.035 0.000 2.511 734 Y HA 0.159 4.709 4.550 -0.001 0.000 0.279 734 Y C 1.705 177.632 175.900 0.045 0.000 1.157 734 Y CA -0.588 57.535 58.100 0.039 0.000 1.300 734 Y CB -0.143 38.339 38.460 0.036 0.000 1.052 734 Y HN 0.329 nan 8.280 nan 0.000 0.529 735 N N -0.168 118.648 118.700 0.192 0.000 2.354 735 N HA 0.278 5.017 4.740 -0.001 0.000 0.246 735 N C -0.541 175.024 175.510 0.092 0.000 1.285 735 N CA 0.047 53.181 53.050 0.141 0.000 0.925 735 N CB 1.459 40.025 38.487 0.131 0.000 1.174 735 N HN -0.092 nan 8.380 nan 0.000 0.478 736 V N -0.830 119.115 119.914 0.052 0.000 3.178 736 V HA 0.533 4.652 4.120 -0.001 0.000 0.302 736 V C -0.706 175.337 176.094 -0.084 0.000 1.262 736 V CA -0.004 62.265 62.300 -0.051 0.000 1.030 736 V CB 1.519 33.248 31.823 -0.156 0.000 1.074 736 V HN 0.856 nan 8.190 nan 0.000 0.438 737 A N 3.647 126.379 122.820 -0.146 0.000 2.860 737 A HA -0.224 4.096 4.320 -0.001 0.000 0.267 737 A C 0.732 178.330 177.584 0.024 0.000 1.421 737 A CA 1.807 53.777 52.037 -0.111 0.000 0.831 737 A CB -2.282 16.587 19.000 -0.219 0.000 1.041 737 A HN 1.696 nan 8.150 nan 0.000 0.623 738 Q N -4.454 115.367 119.800 0.036 0.000 2.503 738 Q HA -0.285 4.054 4.340 -0.001 0.000 0.267 738 Q C 0.433 176.496 176.000 0.106 0.000 1.030 738 Q CA 1.261 57.101 55.803 0.062 0.000 1.041 738 Q CB -2.781 25.981 28.738 0.041 0.000 1.406 738 Q HN 2.168 nan 8.270 nan 0.000 0.524 739 C N -2.527 116.868 119.300 0.157 0.000 3.295 739 C HA 0.629 5.088 4.460 -0.001 0.000 0.370 739 C C 1.160 176.309 174.990 0.265 0.000 1.974 739 C CA -0.206 58.958 59.018 0.244 0.000 1.282 739 C CB 0.895 28.839 27.740 0.340 0.000 2.380 739 C HN 0.438 nan 8.230 nan 0.000 0.443 740 N N 0.385 119.302 118.700 0.361 0.000 2.322 740 N HA 0.094 4.833 4.740 -0.001 0.000 0.194 740 N C 0.159 175.883 175.510 0.355 0.000 1.126 740 N CA -0.138 53.095 53.050 0.305 0.000 0.845 740 N CB -0.330 38.313 38.487 0.260 0.000 0.976 740 N HN 0.904 nan 8.380 nan 0.000 0.475 741 M N 1.874 121.717 119.600 0.406 0.000 2.245 741 M HA 0.059 4.538 4.480 -0.001 0.000 0.344 741 M C 0.065 176.469 176.300 0.173 0.000 1.170 741 M CA -0.138 55.314 55.300 0.255 0.000 1.135 741 M CB 0.703 33.329 32.600 0.042 0.000 1.574 741 M HN 0.252 nan 8.290 nan 0.000 0.452 742 T N 1.611 116.260 114.554 0.158 0.000 2.904 742 T HA 0.282 4.632 4.350 -0.001 0.000 0.290 742 T C 0.773 175.550 174.700 0.128 0.000 1.018 742 T CA -0.640 61.548 62.100 0.146 0.000 1.075 742 T CB 1.075 70.024 68.868 0.135 0.000 0.986 742 T HN 0.832 nan 8.240 nan 0.000 0.523 743 K N 0.844 121.303 120.400 0.097 0.000 2.074 743 K HA -0.168 4.151 4.320 -0.001 0.000 0.209 743 K C 1.791 178.446 176.600 0.092 0.000 1.048 743 K CA 1.965 58.303 56.287 0.084 0.000 0.926 743 K CB -0.183 32.360 32.500 0.073 0.000 0.713 743 K HN 0.609 nan 8.250 nan 0.000 0.444 744 D N -0.139 120.288 120.400 0.045 0.000 2.092 744 D HA -0.207 4.432 4.640 -0.001 0.000 0.193 744 D C 1.452 177.783 176.300 0.052 0.000 0.994 744 D CA 0.856 54.867 54.000 0.019 0.000 0.828 744 D CB -0.275 40.519 40.800 -0.010 0.000 0.963 744 D HN 0.382 nan 8.370 nan 0.000 0.450 745 W N 0.294 121.514 121.300 -0.133 0.000 2.418 745 W HA -0.192 4.467 4.660 -0.001 0.000 0.292 745 W C 1.959 178.272 176.519 -0.343 0.000 1.213 745 W CA 0.309 57.507 57.345 -0.244 0.000 1.283 745 W CB -0.398 28.894 29.460 -0.280 0.000 1.119 745 W HN -0.082 nan 8.180 nan 0.000 0.542 746 F N 1.311 121.079 119.950 -0.304 0.000 2.134 746 F HA -0.255 4.271 4.527 -0.001 0.000 0.299 746 F C 2.307 177.819 175.800 -0.479 0.000 1.097 746 F CA 1.872 59.571 58.000 -0.502 0.000 1.264 746 F CB -0.916 37.826 39.000 -0.429 0.000 1.001 746 F HN -0.154 nan 8.300 nan 0.000 0.479 747 L N -0.012 121.102 121.223 -0.181 0.000 2.012 747 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 747 L C 2.227 178.859 176.870 -0.397 0.000 1.073 747 L CA 1.807 56.601 54.840 -0.078 0.000 0.748 747 L CB -1.068 41.019 42.059 0.046 0.000 0.891 747 L HN 0.064 nan 8.230 nan 0.000 0.431 748 V N -0.356 119.207 119.914 -0.586 0.000 2.295 748 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 748 V C 2.673 178.257 176.094 -0.850 0.000 1.049 748 V CA 1.845 63.640 62.300 -0.841 0.000 1.024 748 V CB -0.786 30.474 31.823 -0.938 0.000 0.648 748 V HN 0.526 nan 8.190 nan 0.000 0.447 749 Q N -1.131 117.985 119.800 -1.141 0.000 2.123 749 Q HA -0.038 4.301 4.340 -0.001 0.000 0.199 749 Q C 2.197 177.754 176.000 -0.739 0.000 0.966 749 Q CA 1.159 56.288 55.803 -1.124 0.000 0.845 749 Q CB -0.386 27.184 28.738 -1.945 0.000 0.907 749 Q HN 0.479 nan 8.270 nan 0.000 0.439 750 M N -0.067 119.111 119.600 -0.704 0.000 2.229 750 M HA -0.047 4.432 4.480 -0.001 0.000 0.264 750 M C 2.199 178.398 176.300 -0.169 0.000 1.063 750 M CA 0.989 56.120 55.300 -0.281 0.000 1.114 750 M CB -0.706 31.721 32.600 -0.288 0.000 1.387 750 M HN 0.163 nan 8.290 nan 0.000 0.420 751 L N -0.443 120.636 121.223 -0.241 0.000 2.072 751 L HA -0.095 4.244 4.340 -0.001 0.000 0.205 751 L C 2.715 179.497 176.870 -0.147 0.000 1.079 751 L CA 0.998 55.747 54.840 -0.150 0.000 0.752 751 L CB -0.807 41.186 42.059 -0.111 0.000 0.906 751 L HN 0.230 nan 8.230 nan 0.000 0.436 752 A N -1.057 121.622 122.820 -0.235 0.000 1.930 752 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 752 A C 2.103 179.450 177.584 -0.395 0.000 1.175 752 A CA 1.374 53.253 52.037 -0.263 0.000 0.627 752 A CB -0.641 18.157 19.000 -0.338 0.000 0.815 752 A HN 0.446 nan 8.150 nan 0.000 0.443 753 H N -3.382 115.371 119.070 -0.529 0.000 2.486 753 H HA 0.061 4.616 4.556 -0.001 0.000 0.287 753 H C 0.626 175.475 175.328 -0.798 0.000 1.010 753 H CA 1.517 57.089 56.048 -0.793 0.000 1.324 753 H CB 0.317 29.284 29.762 -1.326 0.000 1.446 753 H HN 0.654 nan 8.280 nan 0.000 0.537 754 Y N -0.955 119.358 120.300 0.021 0.000 2.610 754 Y HA 0.190 4.739 4.550 -0.001 0.000 0.254 754 Y C 0.441 176.315 175.900 -0.044 0.000 1.110 754 Y CA -0.712 57.371 58.100 -0.028 0.000 1.238 754 Y CB 0.341 38.757 38.460 -0.074 0.000 1.322 754 Y HN -0.048 nan 8.280 nan 0.000 0.547 755 N N 0.577 119.298 118.700 0.035 0.000 2.741 755 N HA -0.191 4.548 4.740 -0.001 0.000 0.251 755 N C -0.730 174.795 175.510 0.025 0.000 1.112 755 N CA 0.815 53.891 53.050 0.042 0.000 0.750 755 N CB -1.488 37.040 38.487 0.069 0.000 1.119 755 N HN 0.385 nan 8.380 nan 0.000 0.561 756 I N -0.627 119.931 120.570 -0.020 0.000 2.336 756 I HA 0.500 4.669 4.170 -0.001 0.000 0.292 756 I C 1.438 177.432 176.117 -0.205 0.000 0.991 756 I CA 0.374 61.586 61.300 -0.148 0.000 1.227 756 I CB 1.501 39.326 38.000 -0.292 0.000 1.366 756 I HN 0.237 nan 8.210 nan 0.000 0.466 757 G N 4.020 112.612 108.800 -0.347 0.000 3.724 757 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.212 757 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.212 757 G C 0.411 174.937 174.900 -0.624 0.000 0.928 757 G CA -0.230 44.485 45.100 -0.642 0.000 0.879 757 G HN 0.471 nan 8.290 nan 0.000 0.424 758 Y N 1.368 121.567 120.300 -0.168 0.000 2.561 758 Y HA 0.321 4.871 4.550 -0.001 0.000 0.291 758 Y C 2.202 178.041 175.900 -0.101 0.000 1.141 758 Y CA 1.239 59.272 58.100 -0.112 0.000 1.303 758 Y CB 0.441 38.872 38.460 -0.048 0.000 1.015 758 Y HN 0.267 nan 8.280 nan 0.000 0.547 759 Q N -0.267 119.542 119.800 0.014 0.000 2.144 759 Q HA 0.423 4.762 4.340 -0.001 0.000 0.305 759 Q C -0.024 175.996 176.000 0.034 0.000 0.876 759 Q CA -0.009 55.820 55.803 0.044 0.000 1.130 759 Q CB 1.181 29.976 28.738 0.095 0.000 1.267 759 Q HN 0.342 nan 8.270 nan 0.000 0.433 760 G N 0.627 109.356 108.800 -0.119 0.000 2.650 760 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.686 760 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.686 760 G C -0.961 173.821 174.900 -0.197 0.000 1.205 760 G CA -1.082 43.955 45.100 -0.105 0.000 0.781 760 G HN 0.181 nan 8.290 nan 0.000 0.648 761 F N 1.156 121.177 119.950 0.117 0.000 2.394 761 F HA 0.762 5.288 4.527 -0.001 0.000 0.340 761 F C 0.866 176.729 175.800 0.104 0.000 1.105 761 F CA 0.095 58.117 58.000 0.037 0.000 1.124 761 F CB 1.506 40.635 39.000 0.215 0.000 1.145 761 F HN 0.761 nan 8.300 nan 0.000 0.505 762 Y N -0.992 119.427 120.300 0.197 0.000 2.750 762 Y HA 0.593 5.143 4.550 -0.001 0.000 0.335 762 Y C -1.501 174.286 175.900 -0.188 0.000 1.252 762 Y CA -2.056 56.058 58.100 0.024 0.000 1.064 762 Y CB -0.043 38.411 38.460 -0.010 0.000 1.321 762 Y HN 0.189 nan 8.280 nan 0.000 0.451 763 V N 3.994 123.848 119.914 -0.101 0.000 2.529 763 V HA 0.210 4.330 4.120 -0.001 0.000 0.292 763 V C -1.815 174.046 176.094 -0.388 0.000 1.028 763 V CA -1.080 60.888 62.300 -0.554 0.000 1.074 763 V CB -0.028 31.575 31.823 -0.368 0.000 0.958 763 V HN 0.622 nan 8.190 nan 0.000 0.481 764 P HA 0.154 nan 4.420 nan 0.000 0.272 764 P C -0.129 176.985 177.300 -0.310 0.000 1.230 764 P CA -0.489 62.293 63.100 -0.529 0.000 0.788 764 P CB 0.617 31.654 31.700 -1.104 0.000 0.949 765 E N 0.216 120.299 120.200 -0.196 0.000 2.452 765 E HA 0.008 4.357 4.350 -0.001 0.000 0.261 765 E C 1.687 178.190 176.600 -0.162 0.000 0.987 765 E CA 0.263 56.580 56.400 -0.139 0.000 0.926 765 E CB 0.097 29.708 29.700 -0.148 0.000 0.934 765 E HN 0.576 nan 8.360 nan 0.000 0.452 766 G N 3.007 111.787 108.800 -0.034 0.000 2.469 766 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.220 766 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.220 766 G C 1.264 176.188 174.900 0.041 0.000 1.136 766 G CA 1.298 46.404 45.100 0.010 0.000 0.759 766 G HN 0.782 nan 8.290 nan 0.000 0.562 767 Y N 0.126 120.439 120.300 0.021 0.000 2.561 767 Y HA 0.356 4.906 4.550 -0.001 0.000 0.291 767 Y C 2.107 178.048 175.900 0.068 0.000 1.141 767 Y CA 0.720 58.841 58.100 0.035 0.000 1.303 767 Y CB 0.054 38.528 38.460 0.025 0.000 1.015 767 Y HN 0.105 nan 8.280 nan 0.000 0.547 768 K N 0.040 120.143 120.400 -0.495 0.000 2.404 768 K HA 0.017 4.336 4.320 -0.001 0.000 0.194 768 K C -0.283 176.374 176.600 0.094 0.000 1.023 768 K CA 0.523 56.664 56.287 -0.244 0.000 1.094 768 K CB 0.260 32.570 32.500 -0.317 0.000 0.841 768 K HN 0.148 nan 8.250 nan 0.000 0.523 769 D N 1.384 121.827 120.400 0.073 0.000 2.441 769 D HA 0.136 4.775 4.640 -0.001 0.000 0.287 769 D C -0.385 176.000 176.300 0.142 0.000 1.198 769 D CA -0.337 53.776 54.000 0.188 0.000 0.894 769 D CB 0.274 41.076 40.800 0.004 0.000 1.070 769 D HN -0.047 nan 8.370 nan 0.000 0.499 770 R N 1.089 121.683 120.500 0.158 0.000 2.601 770 R HA 0.406 4.745 4.340 -0.001 0.000 0.220 770 R C 1.608 177.920 176.300 0.020 0.000 1.329 770 R CA -0.781 55.370 56.100 0.084 0.000 1.043 770 R CB 0.318 30.676 30.300 0.096 0.000 1.807 770 R HN 0.214 nan 8.270 nan 0.000 0.537 771 M N 0.122 119.660 119.600 -0.104 0.000 2.149 771 M HA -0.140 4.340 4.480 -0.001 0.000 0.261 771 M C 0.302 176.388 176.300 -0.356 0.000 1.064 771 M CA 1.906 57.012 55.300 -0.324 0.000 1.102 771 M CB 0.221 32.447 32.600 -0.623 0.000 1.369 771 M HN 0.463 nan 8.290 nan 0.000 0.408 772 Y N -0.347 120.010 120.300 0.094 0.000 2.658 772 Y HA 0.379 4.928 4.550 -0.001 0.000 0.276 772 Y C 0.509 176.496 175.900 0.145 0.000 1.167 772 Y CA -0.673 57.498 58.100 0.119 0.000 1.230 772 Y CB -0.236 38.299 38.460 0.126 0.000 1.144 772 Y HN -0.004 nan 8.280 nan 0.000 0.529 773 S N 0.219 116.050 115.700 0.218 0.000 2.652 773 S HA 0.096 4.565 4.470 -0.001 0.000 0.270 773 S C 0.878 175.512 174.600 0.055 0.000 1.243 773 S CA -0.693 57.626 58.200 0.199 0.000 0.999 773 S CB 0.748 64.128 63.200 0.299 0.000 0.973 773 S HN 0.385 nan 8.310 nan 0.000 0.544 774 F N 1.628 121.308 119.950 -0.450 0.000 2.051 774 F HA -0.088 4.438 4.527 -0.001 0.000 0.296 774 F C 1.786 177.607 175.800 0.034 0.000 1.122 774 F CA 1.443 59.236 58.000 -0.345 0.000 1.201 774 F CB -0.586 37.990 39.000 -0.706 0.000 0.978 774 F HN 0.659 nan 8.300 nan 0.000 0.472 775 F N 1.195 121.051 119.950 -0.157 0.000 2.134 775 F HA -0.160 4.366 4.527 -0.001 0.000 0.299 775 F C 2.639 178.348 175.800 -0.152 0.000 1.097 775 F CA 1.926 59.756 58.000 -0.283 0.000 1.264 775 F CB -0.507 38.403 39.000 -0.150 0.000 1.001 775 F HN -0.030 nan 8.300 nan 0.000 0.479 776 R N 0.889 121.420 120.500 0.051 0.000 2.127 776 R HA -0.154 4.185 4.340 -0.001 0.000 0.238 776 R C 1.508 177.750 176.300 -0.096 0.000 1.134 776 R CA 2.093 58.197 56.100 0.007 0.000 0.975 776 R CB -0.723 29.611 30.300 0.056 0.000 0.865 776 R HN 0.291 nan 8.270 nan 0.000 0.447 777 N N -0.827 117.813 118.700 -0.101 0.000 2.254 777 N HA -0.046 4.693 4.740 -0.001 0.000 0.190 777 N C -0.625 174.857 175.510 -0.046 0.000 1.107 777 N CA -0.032 52.994 53.050 -0.041 0.000 0.869 777 N CB 0.161 38.678 38.487 0.051 0.000 0.983 777 N HN 0.084 nan 8.380 nan 0.000 0.487 778 F N 3.234 122.937 119.950 -0.411 0.000 2.502 778 F HA 0.120 4.646 4.527 -0.001 0.000 0.371 778 F C 0.007 175.666 175.800 -0.236 0.000 1.083 778 F CA -0.100 57.663 58.000 -0.396 0.000 1.174 778 F CB 0.437 38.930 39.000 -0.844 0.000 1.096 778 F HN -0.175 nan 8.300 nan 0.000 0.545 779 Q N 8.908 128.417 119.800 -0.485 0.000 2.674 779 Q HA 0.282 4.621 4.340 -0.001 0.000 0.249 779 Q C -2.626 173.142 176.000 -0.386 0.000 1.011 779 Q CA -1.887 53.662 55.803 -0.425 0.000 0.734 779 Q CB 1.429 30.071 28.738 -0.161 0.000 1.201 779 Q HN 0.440 nan 8.270 nan 0.000 0.498 780 P HA 0.279 nan 4.420 nan 0.000 0.275 780 P C -0.268 176.974 177.300 -0.096 0.000 1.228 780 P CA -0.168 62.773 63.100 -0.265 0.000 0.786 780 P CB 0.856 32.358 31.700 -0.330 0.000 0.927 781 M N -0.648 118.977 119.600 0.041 0.000 2.471 781 M HA 0.621 5.100 4.480 -0.001 0.000 0.284 781 M C -1.711 174.784 176.300 0.325 0.000 1.203 781 M CA -0.546 54.835 55.300 0.134 0.000 0.915 781 M CB 2.108 34.741 32.600 0.055 0.000 1.734 781 M HN 0.051 nan 8.290 nan 0.000 0.485 782 S N 0.856 116.779 115.700 0.372 0.000 2.627 782 S HA 0.942 5.411 4.470 -0.001 0.000 0.283 782 S C -1.312 173.350 174.600 0.104 0.000 1.127 782 S CA -1.009 57.372 58.200 0.301 0.000 0.863 782 S CB 2.576 65.851 63.200 0.126 0.000 1.121 782 S HN 0.926 nan 8.310 nan 0.000 0.479 783 R N 0.294 120.624 120.500 -0.284 0.000 2.734 783 R HA 0.678 5.017 4.340 -0.001 0.000 0.271 783 R C -2.010 174.084 176.300 -0.342 0.000 1.021 783 R CA -0.978 54.856 56.100 -0.443 0.000 0.893 783 R CB 0.731 30.428 30.300 -1.005 0.000 1.244 783 R HN 0.392 nan 8.270 nan 0.000 0.464 784 Q N 0.514 120.162 119.800 -0.253 0.000 2.226 784 Q HA 0.622 4.961 4.340 -0.001 0.000 0.256 784 Q C -0.669 175.206 176.000 -0.210 0.000 0.962 784 Q CA -0.617 55.070 55.803 -0.193 0.000 0.887 784 Q CB 2.448 31.108 28.738 -0.130 0.000 1.282 784 Q HN 0.577 nan 8.270 nan 0.000 0.449 785 V N -1.975 117.839 119.914 -0.166 0.000 3.159 785 V HA 0.656 4.775 4.120 -0.001 0.000 0.308 785 V C -0.501 175.526 176.094 -0.111 0.000 1.190 785 V CA -1.263 60.963 62.300 -0.123 0.000 1.037 785 V CB 1.582 33.342 31.823 -0.105 0.000 1.060 785 V HN 0.576 nan 8.190 nan 0.000 0.437 786 V N 1.464 121.329 119.914 -0.081 0.000 2.788 786 V HA 0.168 4.287 4.120 -0.001 0.000 0.307 786 V C 0.262 176.257 176.094 -0.166 0.000 1.069 786 V CA 0.621 62.828 62.300 -0.156 0.000 1.173 786 V CB 0.949 32.705 31.823 -0.112 0.000 0.925 786 V HN 1.160 nan 8.190 nan 0.000 0.492 787 D N 4.724 125.023 120.400 -0.170 0.000 2.402 787 D HA 0.131 4.770 4.640 -0.001 0.000 0.235 787 D C 1.075 177.245 176.300 -0.216 0.000 1.226 787 D CA 0.099 54.012 54.000 -0.144 0.000 0.918 787 D CB 0.855 41.608 40.800 -0.079 0.000 1.043 787 D HN 0.742 nan 8.370 nan 0.000 0.506 788 E N 1.693 121.649 120.200 -0.406 0.000 2.333 788 E HA -0.093 4.257 4.350 -0.001 0.000 0.198 788 E C 1.624 178.018 176.600 -0.343 0.000 1.007 788 E CA 0.526 56.450 56.400 -0.793 0.000 0.845 788 E CB 0.564 29.761 29.700 -0.839 0.000 0.766 788 E HN 0.361 nan 8.360 nan 0.000 0.507 789 V N 0.762 120.578 119.914 -0.165 0.000 2.492 789 V HA -0.107 4.012 4.120 -0.001 0.000 0.241 789 V C 1.181 177.256 176.094 -0.031 0.000 1.041 789 V CA 1.592 63.852 62.300 -0.068 0.000 1.057 789 V CB -0.160 31.634 31.823 -0.047 0.000 0.711 789 V HN 0.198 nan 8.190 nan 0.000 0.468 790 N N -1.621 117.065 118.700 -0.022 0.000 2.250 790 N HA 0.069 4.808 4.740 -0.001 0.000 0.190 790 N C 0.252 175.797 175.510 0.058 0.000 1.116 790 N CA -0.200 52.854 53.050 0.007 0.000 0.881 790 N CB 0.238 38.726 38.487 0.002 0.000 1.006 790 N HN 0.468 nan 8.380 nan 0.000 0.491 791 Y N 3.785 124.034 120.300 -0.085 0.000 2.587 791 Y HA 0.013 4.562 4.550 -0.001 0.000 0.344 791 Y C 1.404 177.293 175.900 -0.018 0.000 1.061 791 Y CA -0.896 57.158 58.100 -0.077 0.000 1.370 791 Y CB 0.258 38.633 38.460 -0.141 0.000 1.163 791 Y HN 0.053 nan 8.280 nan 0.000 0.527 792 K N 1.761 121.966 120.400 -0.326 0.000 2.209 792 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 792 K C 0.209 176.548 176.600 -0.435 0.000 1.048 792 K CA 1.922 58.027 56.287 -0.303 0.000 0.940 792 K CB 0.122 32.510 32.500 -0.186 0.000 0.729 792 K HN 0.452 nan 8.250 nan 0.000 0.451 793 D N 0.209 120.048 120.400 -0.935 0.000 2.325 793 D HA -0.013 4.626 4.640 -0.001 0.000 0.225 793 D C -0.448 175.630 176.300 -0.370 0.000 1.096 793 D CA -0.144 53.498 54.000 -0.597 0.000 0.844 793 D CB -0.288 40.210 40.800 -0.503 0.000 0.925 793 D HN 0.203 nan 8.370 nan 0.000 0.513 794 Y N 2.292 122.335 120.300 -0.429 0.000 2.712 794 Y HA 0.025 4.575 4.550 -0.001 0.000 0.333 794 Y C 0.026 175.994 175.900 0.113 0.000 1.225 794 Y CA 0.355 58.457 58.100 0.003 0.000 1.499 794 Y CB 0.399 38.899 38.460 0.066 0.000 1.288 794 Y HN -0.160 nan 8.280 nan 0.000 0.575 795 Q N 5.029 124.462 119.800 -0.612 0.000 2.304 795 Q HA 0.505 4.844 4.340 -0.001 0.000 0.270 795 Q C -1.034 174.526 176.000 -0.734 0.000 1.035 795 Q CA -0.709 54.777 55.803 -0.528 0.000 0.781 795 Q CB 2.003 30.642 28.738 -0.165 0.000 1.261 795 Q HN 0.838 nan 8.270 nan 0.000 0.444 796 A N 2.990 125.525 122.820 -0.475 0.000 2.990 796 A HA 0.370 4.690 4.320 -0.001 0.000 0.282 796 A C 0.058 177.608 177.584 -0.057 0.000 1.688 796 A CA -0.332 51.615 52.037 -0.151 0.000 1.391 796 A CB -0.335 18.719 19.000 0.090 0.000 1.112 796 A HN 0.394 nan 8.150 nan 0.000 0.588 797 V N 3.579 123.456 119.914 -0.063 0.000 2.389 797 V HA 0.225 4.344 4.120 -0.001 0.000 0.264 797 V C 1.124 177.215 176.094 -0.006 0.000 1.049 797 V CA 0.051 62.333 62.300 -0.030 0.000 0.932 797 V CB 0.483 32.266 31.823 -0.066 0.000 1.011 797 V HN 0.901 nan 8.190 nan 0.000 0.475 798 T N 2.469 117.067 114.554 0.074 0.000 2.788 798 T HA 0.261 4.611 4.350 -0.001 0.000 0.287 798 T C 1.172 175.863 174.700 -0.014 0.000 1.007 798 T CA -0.481 61.646 62.100 0.046 0.000 1.005 798 T CB 0.912 69.835 68.868 0.092 0.000 1.012 798 T HN 0.305 nan 8.240 nan 0.000 0.530 799 L N 1.545 122.727 121.223 -0.067 0.000 2.021 799 L HA -0.051 4.288 4.340 -0.001 0.000 0.215 799 L C 2.831 179.629 176.870 -0.121 0.000 1.074 799 L CA 2.530 57.302 54.840 -0.114 0.000 0.760 799 L CB -1.395 40.614 42.059 -0.084 0.000 0.889 799 L HN 0.952 nan 8.230 nan 0.000 0.433 800 A N -1.921 120.791 122.820 -0.180 0.000 2.024 800 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 800 A C 1.744 179.156 177.584 -0.288 0.000 1.164 800 A CA 1.904 53.764 52.037 -0.295 0.000 0.643 800 A CB -0.900 17.800 19.000 -0.500 0.000 0.806 800 A HN 0.648 nan 8.150 nan 0.000 0.451 801 Y N -0.303 120.028 120.300 0.051 0.000 2.485 801 Y HA 0.207 4.756 4.550 -0.001 0.000 0.260 801 Y C 0.875 176.784 175.900 0.014 0.000 1.173 801 Y CA -0.402 57.729 58.100 0.051 0.000 1.252 801 Y CB 0.150 38.615 38.460 0.009 0.000 1.123 801 Y HN 0.348 nan 8.280 nan 0.000 0.524 802 Q N 0.875 120.706 119.800 0.051 0.000 2.306 802 Q HA 0.305 4.644 4.340 -0.001 0.000 0.241 802 Q C -0.791 175.255 176.000 0.076 0.000 0.948 802 Q CA -0.332 55.434 55.803 -0.061 0.000 0.886 802 Q CB 0.690 29.306 28.738 -0.203 0.000 1.227 802 Q HN 0.433 nan 8.270 nan 0.000 0.457 803 H N -0.769 118.353 119.070 0.086 0.000 2.865 803 H HA 0.649 5.204 4.556 -0.001 0.000 0.362 803 H C -1.363 174.027 175.328 0.104 0.000 1.114 803 H CA -1.045 55.066 56.048 0.104 0.000 1.208 803 H CB 1.341 31.152 29.762 0.083 0.000 1.727 803 H HN 0.447 nan 8.280 nan 0.000 0.534 804 N N 2.146 120.997 118.700 0.252 0.000 2.554 804 N HA 0.132 4.871 4.740 -0.001 0.000 0.271 804 N C -0.879 174.795 175.510 0.273 0.000 1.081 804 N CA -0.425 52.740 53.050 0.191 0.000 0.994 804 N CB 1.188 39.684 38.487 0.016 0.000 1.641 804 N HN 0.876 nan 8.380 nan 0.000 0.511 805 N N 0.210 119.089 118.700 0.298 0.000 2.741 805 N HA -0.171 4.568 4.740 -0.001 0.000 0.251 805 N C -0.624 175.045 175.510 0.265 0.000 1.112 805 N CA 1.279 54.574 53.050 0.408 0.000 0.750 805 N CB -1.568 37.131 38.487 0.353 0.000 1.119 805 N HN 0.760 nan 8.380 nan 0.000 0.561 806 S N -1.123 114.669 115.700 0.154 0.000 2.593 806 S HA 0.333 4.802 4.470 -0.001 0.000 0.300 806 S C 1.653 176.045 174.600 -0.346 0.000 1.267 806 S CA 0.883 59.057 58.200 -0.043 0.000 1.065 806 S CB 1.334 64.494 63.200 -0.067 0.000 0.807 806 S HN 1.080 nan 8.310 nan 0.000 0.499 807 G N 2.301 110.851 108.800 -0.416 0.000 2.284 807 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.230 807 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.230 807 G C 0.247 174.738 174.900 -0.683 0.000 1.021 807 G CA 0.359 45.043 45.100 -0.694 0.000 0.619 807 G HN 0.822 nan 8.290 nan 0.000 0.510 808 F N 0.798 120.753 119.950 0.008 0.000 2.728 808 F HA 0.573 5.099 4.527 -0.001 0.000 0.314 808 F C 1.017 176.813 175.800 -0.007 0.000 1.094 808 F CA 0.159 58.160 58.000 0.002 0.000 1.217 808 F CB 0.728 39.736 39.000 0.014 0.000 1.056 808 F HN 0.489 nan 8.300 nan 0.000 0.577 809 V N -2.652 117.320 119.914 0.097 0.000 3.160 809 V HA 0.962 5.081 4.120 -0.001 0.000 0.310 809 V C 0.233 176.333 176.094 0.010 0.000 1.181 809 V CA -1.254 61.077 62.300 0.051 0.000 1.047 809 V CB 0.960 32.826 31.823 0.072 0.000 1.068 809 V HN 0.023 nan 8.190 nan 0.000 0.441 810 G N -0.147 108.641 108.800 -0.021 0.000 2.503 810 G HA2 0.396 4.356 3.960 -0.001 0.000 0.257 810 G HA3 0.396 4.356 3.960 -0.001 0.000 0.257 810 G C -1.026 173.902 174.900 0.046 0.000 1.214 810 G CA -0.382 44.707 45.100 -0.019 0.000 0.839 810 G HN 1.120 nan 8.290 nan 0.000 0.559 811 Y N 2.310 122.564 120.300 -0.077 0.000 2.452 811 Y HA 0.331 4.881 4.550 -0.001 0.000 0.348 811 Y C 1.121 176.998 175.900 -0.038 0.000 0.985 811 Y CA -0.753 57.310 58.100 -0.062 0.000 1.214 811 Y CB 0.141 38.550 38.460 -0.085 0.000 1.136 811 Y HN 0.492 nan 8.280 nan 0.000 0.523 812 L N 4.110 125.094 121.223 -0.398 0.000 4.001 812 L HA -0.333 4.007 4.340 -0.001 0.000 0.413 812 L C -0.231 176.603 176.870 -0.061 0.000 1.185 812 L CA 0.719 55.346 54.840 -0.354 0.000 0.963 812 L CB -2.021 39.629 42.059 -0.682 0.000 1.976 812 L HN 0.745 nan 8.230 nan 0.000 0.939 813 A N -1.224 121.566 122.820 -0.050 0.000 2.608 813 A HA 0.746 5.066 4.320 -0.001 0.000 0.292 813 A C -2.539 174.978 177.584 -0.112 0.000 1.066 813 A CA -0.682 51.347 52.037 -0.013 0.000 0.676 813 A CB 1.322 20.349 19.000 0.047 0.000 1.277 813 A HN -0.096 nan 8.150 nan 0.000 0.413 814 P HA 0.161 nan 4.420 nan 0.000 0.235 814 P C 0.255 177.445 177.300 -0.184 0.000 1.725 814 P CA 0.441 63.359 63.100 -0.303 0.000 0.894 814 P CB -0.475 31.014 31.700 -0.352 0.000 1.704 815 T N -4.136 110.340 114.554 -0.129 0.000 2.844 815 T HA 0.455 4.804 4.350 -0.001 0.000 0.274 815 T C 0.465 175.092 174.700 -0.120 0.000 0.991 815 T CA -1.165 60.868 62.100 -0.110 0.000 0.983 815 T CB 0.612 69.432 68.868 -0.080 0.000 1.310 815 T HN -0.031 nan 8.240 nan 0.000 0.596 816 M N 1.879 121.397 119.600 -0.136 0.000 2.250 816 M HA 0.154 4.633 4.480 -0.001 0.000 0.337 816 M C 0.460 176.698 176.300 -0.104 0.000 1.161 816 M CA -0.496 54.731 55.300 -0.123 0.000 1.088 816 M CB 0.428 32.938 32.600 -0.150 0.000 1.639 816 M HN 0.787 nan 8.290 nan 0.000 0.447 817 R N 3.651 124.107 120.500 -0.072 0.000 2.697 817 R HA 0.092 4.431 4.340 -0.001 0.000 0.265 817 R C -1.142 175.103 176.300 -0.091 0.000 1.009 817 R CA 0.298 56.364 56.100 -0.056 0.000 1.099 817 R CB 0.206 30.496 30.300 -0.017 0.000 0.965 817 R HN 0.666 nan 8.270 nan 0.000 0.428 818 Q N 0.427 120.167 119.800 -0.099 0.000 2.416 818 Q HA 0.614 4.953 4.340 -0.001 0.000 0.281 818 Q C -0.451 175.446 176.000 -0.172 0.000 1.067 818 Q CA -0.522 55.202 55.803 -0.130 0.000 0.809 818 Q CB 2.630 31.301 28.738 -0.112 0.000 1.418 818 Q HN 0.985 nan 8.270 nan 0.000 0.411 819 G N 1.087 109.768 108.800 -0.198 0.000 2.384 819 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.204 819 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.204 819 G C -1.671 173.077 174.900 -0.254 0.000 1.237 819 G CA -0.457 44.504 45.100 -0.232 0.000 1.060 819 G HN 0.692 nan 8.290 nan 0.000 0.514 820 Q N -0.859 118.782 119.800 -0.265 0.000 2.397 820 Q HA 0.686 5.025 4.340 -0.001 0.000 0.275 820 Q C -3.079 172.796 176.000 -0.208 0.000 1.090 820 Q CA -2.148 53.517 55.803 -0.230 0.000 0.809 820 Q CB 2.828 31.466 28.738 -0.166 0.000 1.362 820 Q HN 0.381 nan 8.270 nan 0.000 0.431 821 P HA 0.002 nan 4.420 nan 0.000 0.261 821 P C -1.707 175.704 177.300 0.186 0.000 1.183 821 P CA 0.704 63.810 63.100 0.010 0.000 0.761 821 P CB -0.041 31.732 31.700 0.122 0.000 0.785 822 Y N 3.338 123.644 120.300 0.010 0.000 2.604 822 Y HA 0.319 4.868 4.550 -0.001 0.000 0.331 822 Y C -2.427 173.526 175.900 0.088 0.000 1.158 822 Y CA -2.216 55.887 58.100 0.006 0.000 1.056 822 Y CB 1.169 39.565 38.460 -0.107 0.000 1.330 822 Y HN 0.312 nan 8.280 nan 0.000 0.457 823 P HA 0.330 nan 4.420 nan 0.000 0.265 823 P C -0.958 176.452 177.300 0.182 0.000 1.193 823 P CA 0.006 63.093 63.100 -0.021 0.000 0.765 823 P CB 0.494 32.111 31.700 -0.138 0.000 0.823 824 A N 3.098 125.987 122.820 0.115 0.000 2.425 824 A HA 0.132 4.451 4.320 -0.001 0.000 0.242 824 A C 1.066 178.605 177.584 -0.075 0.000 1.077 824 A CA -0.165 51.911 52.037 0.065 0.000 0.781 824 A CB -0.132 18.851 19.000 -0.029 0.000 1.020 824 A HN 0.703 nan 8.150 nan 0.000 0.494 825 N N -0.580 117.959 118.700 -0.268 0.000 2.184 825 N HA 0.175 4.914 4.740 -0.001 0.000 0.206 825 N C -0.646 174.734 175.510 -0.217 0.000 1.151 825 N CA 0.068 52.953 53.050 -0.276 0.000 0.878 825 N CB 0.172 38.380 38.487 -0.467 0.000 1.014 825 N HN 0.636 nan 8.380 nan 0.000 0.512 826 Y N 0.005 120.084 120.300 -0.369 0.000 2.573 826 Y HA 0.453 5.003 4.550 -0.001 0.000 0.328 826 Y C -3.055 172.564 175.900 -0.468 0.000 1.170 826 Y CA -1.617 56.247 58.100 -0.394 0.000 1.078 826 Y CB 1.868 40.149 38.460 -0.299 0.000 1.341 826 Y HN -0.137 nan 8.280 nan 0.000 0.459 827 P HA 0.203 nan 4.420 nan 0.000 0.279 827 P C -1.249 175.701 177.300 -0.584 0.000 1.252 827 P CA -0.026 62.298 63.100 -1.294 0.000 0.811 827 P CB 0.976 32.109 31.700 -0.945 0.000 1.035 828 Y N 1.497 121.594 120.300 -0.338 0.000 2.712 828 Y HA 0.063 4.612 4.550 -0.001 0.000 0.333 828 Y C -1.069 174.712 175.900 -0.198 0.000 1.225 828 Y CA -0.903 57.084 58.100 -0.190 0.000 1.499 828 Y CB -1.069 37.304 38.460 -0.144 0.000 1.288 828 Y HN 0.292 nan 8.280 nan 0.000 0.575 829 P HA 0.127 nan 4.420 nan 0.000 0.276 829 P C -0.154 177.107 177.300 -0.066 0.000 1.230 829 P CA -0.049 63.028 63.100 -0.038 0.000 0.776 829 P CB 1.128 32.811 31.700 -0.028 0.000 0.888 830 L N 2.635 123.816 121.223 -0.070 0.000 2.640 830 L HA 0.280 4.620 4.340 -0.001 0.000 0.230 830 L C 1.069 177.898 176.870 -0.067 0.000 1.123 830 L CA 0.016 54.804 54.840 -0.086 0.000 0.900 830 L CB -0.188 41.822 42.059 -0.082 0.000 1.146 830 L HN 0.420 nan 8.230 nan 0.000 0.484 831 I N -4.046 116.493 120.570 -0.051 0.000 3.145 831 I HA 0.951 5.120 4.170 -0.001 0.000 0.313 831 I C 0.299 176.398 176.117 -0.030 0.000 1.122 831 I CA -0.679 60.599 61.300 -0.037 0.000 0.987 831 I CB 1.836 39.820 38.000 -0.026 0.000 1.236 831 I HN -0.009 nan 8.210 nan 0.000 0.453 832 G N 2.781 111.567 108.800 -0.023 0.000 2.728 832 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.294 832 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.294 832 G C 0.119 175.010 174.900 -0.015 0.000 1.342 832 G CA 0.009 45.099 45.100 -0.017 0.000 0.866 832 G HN 1.251 nan 8.290 nan 0.000 0.534 833 K N -1.177 119.218 120.400 -0.009 0.000 2.360 833 K HA 0.089 4.408 4.320 -0.001 0.000 0.201 833 K C 1.673 178.271 176.600 -0.002 0.000 1.046 833 K CA 2.089 58.373 56.287 -0.005 0.000 0.945 833 K CB -0.043 32.456 32.500 -0.001 0.000 0.750 833 K HN 1.236 nan 8.250 nan 0.000 0.464 834 S N -0.152 115.547 115.700 -0.003 0.000 2.741 834 S HA 0.468 4.938 4.470 -0.001 0.000 0.247 834 S C 0.330 174.918 174.600 -0.020 0.000 1.050 834 S CA -0.605 57.598 58.200 0.005 0.000 1.025 834 S CB 0.419 63.633 63.200 0.023 0.000 0.897 834 S HN 0.375 nan 8.310 nan 0.000 0.508 835 A N 2.098 124.893 122.820 -0.041 0.000 2.584 835 A HA 0.430 4.750 4.320 -0.001 0.000 0.239 835 A C 0.831 178.325 177.584 -0.151 0.000 1.043 835 A CA 0.111 52.098 52.037 -0.082 0.000 0.756 835 A CB -0.464 18.494 19.000 -0.070 0.000 0.963 835 A HN 1.348 nan 8.150 nan 0.000 0.511 836 V N 1.431 121.175 119.914 -0.283 0.000 3.133 836 V HA 0.466 4.585 4.120 -0.001 0.000 0.305 836 V C 0.662 176.514 176.094 -0.404 0.000 1.084 836 V CA -0.360 61.576 62.300 -0.607 0.000 1.089 836 V CB 0.191 31.288 31.823 -1.210 0.000 1.073 836 V HN 0.862 nan 8.190 nan 0.000 0.477 837 T N 3.818 118.178 114.554 -0.322 0.000 2.866 837 T HA 0.349 4.698 4.350 -0.001 0.000 0.293 837 T C 0.439 175.032 174.700 -0.179 0.000 1.005 837 T CA 0.642 62.666 62.100 -0.127 0.000 1.162 837 T CB -0.161 68.734 68.868 0.046 0.000 0.968 837 T HN 1.333 nan 8.240 nan 0.000 0.530 838 S N 1.538 117.162 115.700 -0.127 0.000 2.704 838 S HA 0.866 5.335 4.470 -0.001 0.000 0.296 838 S C -0.387 174.159 174.600 -0.090 0.000 1.138 838 S CA -0.914 57.210 58.200 -0.126 0.000 0.875 838 S CB 1.581 64.701 63.200 -0.133 0.000 1.151 838 S HN 0.834 nan 8.310 nan 0.000 0.500 839 V N -2.222 117.636 119.914 -0.092 0.000 3.074 839 V HA 0.869 4.989 4.120 -0.001 0.000 0.314 839 V C -0.575 175.470 176.094 -0.082 0.000 1.117 839 V CA -0.649 61.608 62.300 -0.072 0.000 1.014 839 V CB 1.338 33.123 31.823 -0.063 0.000 1.057 839 V HN 0.957 nan 8.190 nan 0.000 0.438 840 T N 2.549 117.067 114.554 -0.060 0.000 2.855 840 T HA 0.591 4.940 4.350 -0.001 0.000 0.281 840 T C -0.688 173.987 174.700 -0.041 0.000 1.007 840 T CA -0.360 61.702 62.100 -0.063 0.000 1.009 840 T CB 1.320 70.168 68.868 -0.033 0.000 0.983 840 T HN 0.840 nan 8.240 nan 0.000 0.455 841 Q N 1.954 121.713 119.800 -0.069 0.000 2.353 841 Q HA 0.574 4.913 4.340 -0.001 0.000 0.268 841 Q C -0.721 175.370 176.000 0.152 0.000 1.045 841 Q CA -1.031 54.789 55.803 0.028 0.000 0.811 841 Q CB 2.623 31.348 28.738 -0.021 0.000 1.305 841 Q HN 0.624 nan 8.270 nan 0.000 0.447 842 K N 1.066 121.618 120.400 0.253 0.000 2.477 842 K HA 0.740 5.060 4.320 -0.001 0.000 0.255 842 K C -1.277 175.496 176.600 0.287 0.000 0.952 842 K CA -0.841 55.633 56.287 0.312 0.000 0.826 842 K CB 2.518 35.141 32.500 0.205 0.000 1.331 842 K HN 0.652 nan 8.250 nan 0.000 0.437 843 K N 0.224 120.771 120.400 0.244 0.000 2.644 843 K HA 0.521 4.840 4.320 -0.001 0.000 0.284 843 K C -1.522 175.175 176.600 0.161 0.000 1.023 843 K CA -1.012 55.349 56.287 0.124 0.000 0.809 843 K CB 0.907 33.368 32.500 -0.065 0.000 1.504 843 K HN 0.578 nan 8.250 nan 0.000 0.365 844 F N -0.927 119.063 119.950 0.067 0.000 2.668 844 F HA 0.684 5.210 4.527 -0.001 0.000 0.309 844 F C -1.792 174.032 175.800 0.040 0.000 1.117 844 F CA -1.260 56.766 58.000 0.043 0.000 0.951 844 F CB 1.192 40.330 39.000 0.230 0.000 1.323 844 F HN 0.316 nan 8.300 nan 0.000 0.451 845 L N 1.471 122.793 121.223 0.166 0.000 2.322 845 L HA 0.681 5.020 4.340 -0.001 0.000 0.269 845 L C -0.866 176.303 176.870 0.499 0.000 1.012 845 L CA -0.962 53.979 54.840 0.168 0.000 0.815 845 L CB 2.013 44.044 42.059 -0.047 0.000 1.295 845 L HN 0.970 nan 8.230 nan 0.000 0.438 846 C N 1.396 120.993 119.300 0.496 0.000 3.432 846 C HA 0.281 4.740 4.460 -0.001 0.000 0.242 846 C C -0.374 174.763 174.990 0.246 0.000 1.152 846 C CA -0.830 58.421 59.018 0.388 0.000 1.242 846 C CB -0.785 27.267 27.740 0.521 0.000 1.802 846 C HN 0.729 nan 8.230 nan 0.000 0.577 847 D N 1.046 121.620 120.400 0.290 0.000 2.398 847 D HA 0.336 4.975 4.640 -0.001 0.000 0.247 847 D C 1.127 177.640 176.300 0.354 0.000 1.227 847 D CA 0.083 54.315 54.000 0.388 0.000 0.980 847 D CB 0.562 41.675 40.800 0.522 0.000 1.106 847 D HN 0.612 nan 8.370 nan 0.000 0.493 848 R N -1.954 118.827 120.500 0.469 0.000 3.928 848 R HA -0.214 4.126 4.340 -0.001 0.000 0.417 848 R C 0.656 177.253 176.300 0.495 0.000 0.647 848 R CA 1.373 57.760 56.100 0.478 0.000 1.610 848 R CB -1.667 28.861 30.300 0.381 0.000 2.164 848 R HN 0.432 nan 8.270 nan 0.000 0.406 849 V N -1.089 118.985 119.914 0.266 0.000 3.295 849 V HA 0.588 4.707 4.120 -0.001 0.000 0.308 849 V C 0.597 176.628 176.094 -0.105 0.000 1.068 849 V CA -0.621 61.754 62.300 0.125 0.000 1.062 849 V CB 1.293 33.108 31.823 -0.013 0.000 1.162 849 V HN 0.110 nan 8.190 nan 0.000 0.456 850 M N 1.019 120.483 119.600 -0.227 0.000 2.436 850 M HA 0.428 4.907 4.480 -0.001 0.000 0.331 850 M C -0.988 175.089 176.300 -0.372 0.000 1.135 850 M CA -0.110 54.885 55.300 -0.508 0.000 0.987 850 M CB 2.113 34.397 32.600 -0.527 0.000 1.687 850 M HN 0.779 nan 8.290 nan 0.000 0.445 851 W N 2.550 123.503 121.300 -0.578 0.000 2.181 851 W HA 0.227 4.887 4.660 -0.001 0.000 0.335 851 W C 0.265 176.440 176.519 -0.574 0.000 1.310 851 W CA -0.655 56.331 57.345 -0.598 0.000 1.226 851 W CB 0.490 29.281 29.460 -1.114 0.000 1.155 851 W HN 0.305 nan 8.180 nan 0.000 0.565 852 R N 3.735 124.169 120.500 -0.110 0.000 2.561 852 R HA 0.520 4.859 4.340 -0.001 0.000 0.297 852 R C -1.059 175.152 176.300 -0.148 0.000 0.969 852 R CA -1.037 54.973 56.100 -0.150 0.000 0.879 852 R CB 1.828 31.971 30.300 -0.262 0.000 1.178 852 R HN 0.502 nan 8.270 nan 0.000 0.445 853 I N 4.184 124.791 120.570 0.062 0.000 2.466 853 I HA 0.267 4.437 4.170 -0.001 0.000 0.279 853 I C -2.398 173.949 176.117 0.383 0.000 1.033 853 I CA -2.289 59.103 61.300 0.153 0.000 1.123 853 I CB 2.210 40.274 38.000 0.106 0.000 1.237 853 I HN 0.136 nan 8.210 nan 0.000 0.460 854 P HA 0.052 nan 4.420 nan 0.000 0.276 854 P C -0.381 177.198 177.300 0.465 0.000 1.230 854 P CA -0.220 63.027 63.100 0.245 0.000 0.776 854 P CB 0.424 32.248 31.700 0.206 0.000 0.888 855 F N 3.341 123.283 119.950 -0.012 0.000 2.626 855 F HA 0.333 4.859 4.527 -0.001 0.000 0.353 855 F C 0.209 176.048 175.800 0.065 0.000 1.230 855 F CA -0.004 57.952 58.000 -0.073 0.000 1.298 855 F CB -0.618 38.184 39.000 -0.330 0.000 1.670 855 F HN 0.068 nan 8.300 nan 0.000 0.633 856 S N 1.106 116.885 115.700 0.132 0.000 2.557 856 S HA 0.315 4.784 4.470 -0.001 0.000 0.291 856 S C 0.936 175.534 174.600 -0.003 0.000 1.116 856 S CA -0.064 58.151 58.200 0.025 0.000 0.992 856 S CB 1.242 64.489 63.200 0.079 0.000 1.028 856 S HN 0.520 nan 8.310 nan 0.000 0.484 857 S N 3.507 119.160 115.700 -0.077 0.000 2.419 857 S HA -0.173 4.296 4.470 -0.001 0.000 0.235 857 S C 0.968 175.417 174.600 -0.253 0.000 1.019 857 S CA 1.736 59.859 58.200 -0.129 0.000 0.982 857 S CB -0.641 62.494 63.200 -0.109 0.000 0.789 857 S HN 0.882 nan 8.310 nan 0.000 0.490 858 N N -0.491 118.104 118.700 -0.174 0.000 2.238 858 N HA 0.233 4.973 4.740 -0.001 0.000 0.235 858 N C 0.244 175.798 175.510 0.072 0.000 1.209 858 N CA -0.341 52.651 53.050 -0.097 0.000 0.879 858 N CB -0.911 37.562 38.487 -0.024 0.000 1.136 858 N HN 0.425 nan 8.380 nan 0.000 0.517 859 F N -1.470 118.585 119.950 0.175 0.000 2.705 859 F HA -0.298 4.229 4.527 -0.001 0.000 0.413 859 F C 0.456 176.295 175.800 0.065 0.000 0.588 859 F CA 0.621 58.704 58.000 0.138 0.000 1.187 859 F CB -1.522 37.528 39.000 0.085 0.000 1.737 859 F HN 0.072 nan 8.300 nan 0.000 0.285 860 M N 0.322 120.049 119.600 0.212 0.000 2.255 860 M HA 0.276 4.755 4.480 -0.001 0.000 0.336 860 M C 0.630 176.968 176.300 0.064 0.000 1.135 860 M CA 0.087 55.465 55.300 0.131 0.000 1.145 860 M CB 0.894 33.584 32.600 0.150 0.000 1.473 860 M HN -0.070 nan 8.290 nan 0.000 0.462 861 S N 2.817 118.533 115.700 0.027 0.000 2.400 861 S HA 0.322 4.791 4.470 -0.001 0.000 0.295 861 S C 0.376 174.986 174.600 0.016 0.000 1.113 861 S CA -0.249 57.951 58.200 0.000 0.000 1.064 861 S CB 0.038 63.220 63.200 -0.030 0.000 0.990 861 S HN 0.645 nan 8.310 nan 0.000 0.502 862 M N 2.276 121.886 119.600 0.017 0.000 2.416 862 M HA 0.318 4.797 4.480 -0.001 0.000 0.337 862 M C 0.588 176.899 176.300 0.018 0.000 1.074 862 M CA -0.204 55.107 55.300 0.019 0.000 0.968 862 M CB 0.978 33.588 32.600 0.017 0.000 1.472 862 M HN 0.741 nan 8.290 nan 0.000 0.539 863 G N -0.047 108.764 108.800 0.018 0.000 2.249 863 G HA2 0.324 4.283 3.960 -0.001 0.000 0.252 863 G HA3 0.324 4.283 3.960 -0.001 0.000 0.252 863 G C 0.074 174.997 174.900 0.039 0.000 1.697 863 G CA -0.453 44.665 45.100 0.030 0.000 0.916 863 G HN 0.093 nan 8.290 nan 0.000 0.725 864 A N 1.199 124.054 122.820 0.058 0.000 1.908 864 A HA 0.171 4.490 4.320 -0.001 0.000 0.218 864 A C 1.580 179.290 177.584 0.210 0.000 1.181 864 A CA 1.918 53.996 52.037 0.068 0.000 0.627 864 A CB -0.213 18.845 19.000 0.096 0.000 0.818 864 A HN 1.746 nan 8.150 nan 0.000 0.445 865 L N 2.388 123.791 121.223 0.300 0.000 2.312 865 L HA 0.312 4.651 4.340 -0.001 0.000 0.287 865 L C 0.730 177.682 176.870 0.136 0.000 1.091 865 L CA 0.196 55.210 54.840 0.290 0.000 0.846 865 L CB -0.203 41.918 42.059 0.103 0.000 1.219 865 L HN 0.386 nan 8.230 nan 0.000 0.439 866 T N 0.045 114.672 114.554 0.122 0.000 2.766 866 T HA 0.143 4.492 4.350 -0.001 0.000 0.295 866 T C 1.069 175.789 174.700 0.034 0.000 1.024 866 T CA 0.048 62.179 62.100 0.052 0.000 1.018 866 T CB 0.626 69.512 68.868 0.030 0.000 1.002 866 T HN 0.680 nan 8.240 nan 0.000 0.532 867 D N 0.952 121.348 120.400 -0.008 0.000 2.117 867 D HA -0.150 4.489 4.640 -0.001 0.000 0.197 867 D C 1.961 178.235 176.300 -0.044 0.000 0.987 867 D CA 1.212 55.201 54.000 -0.018 0.000 0.829 867 D CB -0.591 40.189 40.800 -0.033 0.000 0.961 867 D HN 0.549 nan 8.370 nan 0.000 0.460 868 L N 0.261 121.392 121.223 -0.154 0.000 2.156 868 L HA 0.100 4.439 4.340 -0.001 0.000 0.208 868 L C 2.752 179.597 176.870 -0.042 0.000 1.095 868 L CA 1.081 55.739 54.840 -0.303 0.000 0.770 868 L CB -0.743 40.720 42.059 -0.993 0.000 0.914 868 L HN 0.198 nan 8.230 nan 0.000 0.439 869 G N -0.427 108.449 108.800 0.126 0.000 2.469 869 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.219 869 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.219 869 G C 1.512 176.517 174.900 0.175 0.000 1.150 869 G CA 0.563 45.835 45.100 0.287 0.000 0.763 869 G HN 0.403 nan 8.290 nan 0.000 0.561 870 Q N -0.039 119.828 119.800 0.112 0.000 2.083 870 Q HA -0.056 4.283 4.340 -0.001 0.000 0.198 870 Q C 2.559 178.641 176.000 0.136 0.000 0.969 870 Q CA 1.044 56.905 55.803 0.096 0.000 0.838 870 Q CB -0.133 28.663 28.738 0.097 0.000 0.900 870 Q HN 0.327 nan 8.270 nan 0.000 0.436 871 N N 0.272 119.061 118.700 0.148 0.000 2.205 871 N HA -0.117 4.622 4.740 -0.001 0.000 0.186 871 N C 1.404 177.020 175.510 0.176 0.000 1.015 871 N CA 1.059 54.236 53.050 0.211 0.000 0.862 871 N CB -0.082 38.464 38.487 0.097 0.000 0.986 871 N HN 0.214 nan 8.380 nan 0.000 0.429 872 M N 0.027 119.705 119.600 0.130 0.000 2.549 872 M HA 0.020 4.499 4.480 -0.001 0.000 0.260 872 M C 1.580 177.906 176.300 0.043 0.000 1.076 872 M CA 0.345 55.726 55.300 0.135 0.000 1.090 872 M CB -0.791 31.960 32.600 0.251 0.000 1.418 872 M HN 0.101 nan 8.290 nan 0.000 0.486 873 L N -0.543 120.609 121.223 -0.118 0.000 2.131 873 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 873 L C 1.192 177.737 176.870 -0.541 0.000 1.092 873 L CA 1.782 56.392 54.840 -0.384 0.000 0.759 873 L CB -0.699 40.996 42.059 -0.607 0.000 0.903 873 L HN 0.262 nan 8.230 nan 0.000 0.435 874 Y N -0.553 119.783 120.300 0.058 0.000 2.495 874 Y HA 0.455 5.005 4.550 -0.001 0.000 0.293 874 Y C 1.126 177.066 175.900 0.066 0.000 1.186 874 Y CA -0.148 57.981 58.100 0.048 0.000 1.266 874 Y CB -0.710 37.768 38.460 0.031 0.000 1.101 874 Y HN 0.118 nan 8.280 nan 0.000 0.517 875 A N 0.737 123.634 122.820 0.128 0.000 2.410 875 A HA 0.310 4.629 4.320 -0.001 0.000 0.292 875 A C 1.339 178.997 177.584 0.124 0.000 1.232 875 A CA 0.518 52.665 52.037 0.184 0.000 0.893 875 A CB -0.787 18.376 19.000 0.272 0.000 1.131 875 A HN 0.656 nan 8.150 nan 0.000 0.530 876 N N 1.599 120.370 118.700 0.118 0.000 2.513 876 N HA 0.084 4.823 4.740 -0.001 0.000 0.187 876 N C 0.876 176.398 175.510 0.021 0.000 1.056 876 N CA 1.511 54.602 53.050 0.068 0.000 0.907 876 N CB -0.250 38.277 38.487 0.067 0.000 0.954 876 N HN 1.183 nan 8.380 nan 0.000 0.445 877 S N -2.908 112.786 115.700 -0.010 0.000 2.685 877 S HA 0.787 5.256 4.470 -0.001 0.000 0.282 877 S C -0.357 174.065 174.600 -0.297 0.000 1.159 877 S CA -0.245 57.870 58.200 -0.141 0.000 0.833 877 S CB 1.329 64.433 63.200 -0.161 0.000 1.151 877 S HN 0.833 nan 8.310 nan 0.000 0.485 878 A N 1.143 123.809 122.820 -0.256 0.000 2.371 878 A HA 0.608 4.927 4.320 -0.001 0.000 0.257 878 A C -0.183 177.189 177.584 -0.354 0.000 1.089 878 A CA -0.304 51.627 52.037 -0.177 0.000 0.794 878 A CB -0.130 18.822 19.000 -0.080 0.000 1.029 878 A HN 0.814 nan 8.150 nan 0.000 0.488 879 H N -0.016 119.219 119.070 0.276 0.000 2.679 879 H HA 0.631 5.186 4.556 -0.001 0.000 0.367 879 H C 0.156 175.720 175.328 0.394 0.000 1.162 879 H CA 0.032 56.242 56.048 0.270 0.000 1.181 879 H CB 2.040 31.897 29.762 0.158 0.000 1.693 879 H HN 0.864 nan 8.280 nan 0.000 0.538 880 A N 1.742 124.777 122.820 0.358 0.000 2.256 880 A HA 0.580 4.899 4.320 -0.001 0.000 0.318 880 A C -0.965 176.725 177.584 0.176 0.000 1.103 880 A CA -0.537 51.670 52.037 0.283 0.000 0.860 880 A CB 1.058 20.149 19.000 0.151 0.000 1.182 880 A HN 0.424 nan 8.150 nan 0.000 0.501 881 L N 0.553 121.832 121.223 0.093 0.000 2.436 881 L HA 0.572 4.911 4.340 -0.001 0.000 0.268 881 L C -1.758 175.069 176.870 -0.072 0.000 0.974 881 L CA -0.323 54.403 54.840 -0.189 0.000 0.826 881 L CB 2.146 44.026 42.059 -0.298 0.000 1.291 881 L HN 0.637 nan 8.230 nan 0.000 0.406 882 D N 5.715 126.031 120.400 -0.141 0.000 2.185 882 D HA 0.622 5.261 4.640 -0.001 0.000 0.247 882 D C -0.548 175.656 176.300 -0.161 0.000 1.027 882 D CA -0.006 53.939 54.000 -0.091 0.000 0.861 882 D CB 2.068 42.826 40.800 -0.069 0.000 1.202 882 D HN 0.515 nan 8.370 nan 0.000 0.453 883 M N 1.295 120.817 119.600 -0.128 0.000 2.530 883 M HA 0.345 4.824 4.480 -0.001 0.000 0.307 883 M C -0.723 175.447 176.300 -0.217 0.000 1.161 883 M CA -0.892 54.251 55.300 -0.263 0.000 0.903 883 M CB 2.375 34.805 32.600 -0.284 0.000 1.711 883 M HN 0.092 nan 8.290 nan 0.000 0.451 884 N N 1.205 119.694 118.700 -0.351 0.000 2.410 884 N HA 0.571 5.311 4.740 -0.001 0.000 0.287 884 N C -2.126 173.180 175.510 -0.341 0.000 1.044 884 N CA -0.319 52.609 53.050 -0.204 0.000 0.881 884 N CB 1.223 39.635 38.487 -0.125 0.000 1.405 884 N HN 0.413 nan 8.380 nan 0.000 0.490 885 F N 1.187 121.058 119.950 -0.132 0.000 2.420 885 F HA 0.357 4.884 4.527 -0.001 0.000 0.342 885 F C 0.765 176.538 175.800 -0.045 0.000 1.113 885 F CA -0.678 57.272 58.000 -0.085 0.000 1.059 885 F CB 1.434 40.416 39.000 -0.030 0.000 1.128 885 F HN 0.365 nan 8.300 nan 0.000 0.475 886 E N 3.775 124.046 120.200 0.119 0.000 2.133 886 E HA 0.590 4.939 4.350 -0.001 0.000 0.274 886 E C -1.391 175.233 176.600 0.040 0.000 0.930 886 E CA -0.675 55.757 56.400 0.053 0.000 0.770 886 E CB 1.454 31.159 29.700 0.008 0.000 1.104 886 E HN 0.550 nan 8.360 nan 0.000 0.403 887 V N 0.915 120.806 119.914 -0.038 0.000 3.074 887 V HA 0.492 4.611 4.120 -0.001 0.000 0.314 887 V C -0.369 175.663 176.094 -0.104 0.000 1.117 887 V CA -1.153 61.058 62.300 -0.147 0.000 1.014 887 V CB 1.849 33.473 31.823 -0.331 0.000 1.057 887 V HN 0.555 nan 8.190 nan 0.000 0.438 888 D N 3.329 123.657 120.400 -0.119 0.000 2.414 888 D HA 0.323 4.962 4.640 -0.001 0.000 0.242 888 D C -2.368 173.889 176.300 -0.072 0.000 1.129 888 D CA -0.638 53.320 54.000 -0.070 0.000 0.885 888 D CB 1.106 41.872 40.800 -0.056 0.000 1.198 888 D HN 0.627 nan 8.370 nan 0.000 0.437 889 P HA 0.179 nan 4.420 nan 0.000 0.275 889 P C -0.569 176.720 177.300 -0.019 0.000 1.227 889 P CA -0.203 62.880 63.100 -0.027 0.000 0.781 889 P CB 0.854 32.549 31.700 -0.008 0.000 0.906 890 M N 1.667 121.256 119.600 -0.020 0.000 2.393 890 M HA 0.173 4.652 4.480 -0.001 0.000 0.299 890 M C 0.236 176.540 176.300 0.006 0.000 1.103 890 M CA -0.522 54.777 55.300 -0.002 0.000 0.910 890 M CB 2.245 34.836 32.600 -0.015 0.000 1.659 890 M HN 0.184 nan 8.290 nan 0.000 0.445 891 D N 3.045 123.457 120.400 0.021 0.000 2.504 891 D HA 0.064 4.703 4.640 -0.001 0.000 0.243 891 D C -0.524 175.787 176.300 0.017 0.000 1.203 891 D CA 0.402 54.412 54.000 0.018 0.000 0.847 891 D CB 0.280 41.094 40.800 0.023 0.000 0.973 891 D HN 0.661 nan 8.370 nan 0.000 0.490 892 E N -2.517 117.691 120.200 0.014 0.000 2.449 892 E HA 0.300 4.650 4.350 -0.001 0.000 0.278 892 E C -0.933 175.668 176.600 0.001 0.000 0.992 892 E CA -1.073 55.333 56.400 0.010 0.000 0.807 892 E CB 0.446 30.156 29.700 0.018 0.000 1.350 892 E HN -0.142 nan 8.360 nan 0.000 0.462 893 S N 0.504 116.203 115.700 -0.002 0.000 2.525 893 S HA 0.206 4.675 4.470 -0.001 0.000 0.285 893 S C -0.162 174.434 174.600 -0.007 0.000 1.283 893 S CA 0.527 58.723 58.200 -0.006 0.000 1.072 893 S CB -0.356 62.838 63.200 -0.010 0.000 0.867 893 S HN 0.550 nan 8.310 nan 0.000 0.492 894 T N 3.007 117.556 114.554 -0.009 0.000 2.858 894 T HA 0.740 5.089 4.350 -0.001 0.000 0.285 894 T C -0.705 173.997 174.700 0.004 0.000 1.052 894 T CA -1.022 61.073 62.100 -0.009 0.000 1.009 894 T CB 0.805 69.655 68.868 -0.030 0.000 1.241 894 T HN 0.511 nan 8.240 nan 0.000 0.542 895 L N 1.016 122.252 121.223 0.022 0.000 2.408 895 L HA 0.566 4.905 4.340 -0.001 0.000 0.268 895 L C -1.050 175.882 176.870 0.104 0.000 0.986 895 L CA -1.291 53.581 54.840 0.054 0.000 0.820 895 L CB 2.071 44.149 42.059 0.033 0.000 1.303 895 L HN 0.605 nan 8.230 nan 0.000 0.411 896 L N 3.329 124.633 121.223 0.133 0.000 2.313 896 L HA 0.250 4.589 4.340 -0.001 0.000 0.282 896 L C -1.006 176.046 176.870 0.302 0.000 1.092 896 L CA 0.486 55.423 54.840 0.163 0.000 0.831 896 L CB 0.218 42.285 42.059 0.013 0.000 1.159 896 L HN 0.509 nan 8.230 nan 0.000 0.442 897 Y N 5.829 126.211 120.300 0.136 0.000 2.369 897 Y HA 0.615 5.164 4.550 -0.001 0.000 0.337 897 Y C -1.013 174.954 175.900 0.111 0.000 0.961 897 Y CA -1.225 56.965 58.100 0.149 0.000 1.186 897 Y CB 1.187 39.742 38.460 0.159 0.000 1.139 897 Y HN 0.419 nan 8.280 nan 0.000 0.494 898 V N 7.220 127.286 119.914 0.254 0.000 2.435 898 V HA 0.250 4.369 4.120 -0.001 0.000 0.290 898 V C -0.364 175.634 176.094 -0.160 0.000 1.030 898 V CA -0.869 61.399 62.300 -0.053 0.000 0.881 898 V CB 1.462 33.247 31.823 -0.064 0.000 0.983 898 V HN 0.560 nan 8.190 nan 0.000 0.445 899 V N 5.725 125.422 119.914 -0.361 0.000 2.318 899 V HA 0.368 4.488 4.120 -0.001 0.000 0.271 899 V C -0.386 175.521 176.094 -0.311 0.000 1.030 899 V CA -0.261 61.872 62.300 -0.277 0.000 0.844 899 V CB 0.522 32.128 31.823 -0.362 0.000 1.015 899 V HN 0.663 nan 8.190 nan 0.000 0.460 900 F N 3.306 123.186 119.950 -0.117 0.000 2.434 900 F HA 0.314 4.840 4.527 -0.001 0.000 0.358 900 F C 1.036 176.588 175.800 -0.413 0.000 1.136 900 F CA -0.359 57.472 58.000 -0.280 0.000 1.157 900 F CB 0.409 38.984 39.000 -0.708 0.000 1.167 900 F HN 0.480 nan 8.300 nan 0.000 0.539 901 E N 3.603 123.551 120.200 -0.419 0.000 2.223 901 E HA 0.429 4.778 4.350 -0.001 0.000 0.282 901 E C -0.194 176.088 176.600 -0.529 0.000 1.046 901 E CA -0.433 55.670 56.400 -0.495 0.000 0.857 901 E CB 1.151 30.520 29.700 -0.552 0.000 1.055 901 E HN 0.499 nan 8.360 nan 0.000 0.409 902 V N -0.212 119.468 119.914 -0.390 0.000 3.069 902 V HA 0.582 4.701 4.120 -0.001 0.000 0.312 902 V C -1.138 174.727 176.094 -0.382 0.000 1.369 902 V CA -1.128 61.034 62.300 -0.231 0.000 1.047 902 V CB 1.000 32.795 31.823 -0.047 0.000 1.098 902 V HN 0.417 nan 8.190 nan 0.000 0.473 903 F N 1.061 120.975 119.950 -0.061 0.000 2.426 903 F HA 0.668 5.194 4.527 -0.001 0.000 0.348 903 F C -0.253 175.520 175.800 -0.044 0.000 1.124 903 F CA -0.116 57.846 58.000 -0.062 0.000 1.008 903 F CB 1.469 40.450 39.000 -0.032 0.000 1.139 903 F HN 0.618 nan 8.300 nan 0.000 0.452 904 D N 4.263 124.674 120.400 0.019 0.000 2.462 904 D HA 0.423 5.063 4.640 -0.001 0.000 0.249 904 D C -1.211 175.093 176.300 0.006 0.000 1.117 904 D CA -0.092 53.891 54.000 -0.030 0.000 0.900 904 D CB 0.946 41.614 40.800 -0.219 0.000 1.039 904 D HN 0.161 nan 8.370 nan 0.000 0.516 905 V N 2.514 122.551 119.914 0.205 0.000 2.715 905 V HA 0.626 4.746 4.120 -0.001 0.000 0.310 905 V C -0.087 176.203 176.094 0.328 0.000 1.054 905 V CA -1.012 61.453 62.300 0.275 0.000 0.928 905 V CB 2.030 33.957 31.823 0.173 0.000 1.007 905 V HN 0.275 nan 8.190 nan 0.000 0.437 906 V N 4.066 124.136 119.914 0.260 0.000 2.823 906 V HA 0.697 4.817 4.120 -0.001 0.000 0.312 906 V C -0.604 175.449 176.094 -0.069 0.000 1.072 906 V CA -0.707 61.515 62.300 -0.130 0.000 0.937 906 V CB 2.019 33.484 31.823 -0.597 0.000 1.013 906 V HN 0.960 nan 8.190 nan 0.000 0.430 907 R N 4.217 124.643 120.500 -0.122 0.000 2.534 907 R HA 0.762 5.101 4.340 -0.001 0.000 0.301 907 R C -2.052 174.213 176.300 -0.060 0.000 0.961 907 R CA -0.433 55.618 56.100 -0.081 0.000 0.871 907 R CB 2.065 32.326 30.300 -0.065 0.000 1.170 907 R HN 0.583 nan 8.270 nan 0.000 0.446 908 V N 4.010 123.917 119.914 -0.010 0.000 2.448 908 V HA 0.285 4.404 4.120 -0.001 0.000 0.295 908 V C -0.794 175.359 176.094 0.099 0.000 1.025 908 V CA -0.848 61.477 62.300 0.042 0.000 0.859 908 V CB 1.267 33.137 31.823 0.078 0.000 0.988 908 V HN 0.707 nan 8.190 nan 0.000 0.431 909 H N 3.857 122.921 119.070 -0.009 0.000 2.539 909 H HA 0.536 5.091 4.556 -0.001 0.000 0.332 909 H C -0.462 174.869 175.328 0.006 0.000 1.031 909 H CA -0.513 55.529 56.048 -0.010 0.000 1.206 909 H CB 1.489 31.245 29.762 -0.011 0.000 1.446 909 H HN 0.650 nan 8.280 nan 0.000 0.496 910 Q N 7.090 126.730 119.800 -0.267 0.000 2.700 910 Q HA 0.205 4.544 4.340 -0.001 0.000 0.249 910 Q C -2.016 173.746 176.000 -0.398 0.000 1.033 910 Q CA -1.847 53.810 55.803 -0.242 0.000 0.804 910 Q CB 1.829 30.528 28.738 -0.065 0.000 1.164 910 Q HN 0.600 nan 8.270 nan 0.000 0.500 911 P HA -0.112 nan 4.420 nan 0.000 0.222 911 P C -0.224 176.618 177.300 -0.762 0.000 1.153 911 P CA 1.235 63.914 63.100 -0.701 0.000 0.798 911 P CB 0.603 31.904 31.700 -0.665 0.000 0.796 912 H N -1.758 117.266 119.070 -0.077 0.000 3.017 912 H HA 0.327 4.882 4.556 -0.001 0.000 0.346 912 H C 0.126 175.442 175.328 -0.019 0.000 1.286 912 H CA -0.889 55.139 56.048 -0.034 0.000 1.120 912 H CB 1.041 30.788 29.762 -0.026 0.000 1.860 912 H HN -0.175 nan 8.280 nan 0.000 0.542 913 R N 0.052 120.627 120.500 0.125 0.000 2.538 913 R HA 0.207 4.546 4.340 -0.001 0.000 0.282 913 R C 0.900 177.197 176.300 -0.006 0.000 1.009 913 R CA 1.258 57.388 56.100 0.050 0.000 1.063 913 R CB 0.011 30.325 30.300 0.024 0.000 0.945 913 R HN 1.003 nan 8.270 nan 0.000 0.414 914 G N 1.275 110.022 108.800 -0.088 0.000 2.153 914 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.252 914 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.252 914 G C -0.109 174.723 174.900 -0.113 0.000 0.994 914 G CA 0.114 45.024 45.100 -0.317 0.000 0.698 914 G HN 0.434 nan 8.290 nan 0.000 0.521 915 V N 0.954 120.904 119.914 0.059 0.000 2.487 915 V HA 0.770 4.889 4.120 -0.001 0.000 0.298 915 V C 0.101 176.277 176.094 0.138 0.000 1.028 915 V CA -0.665 61.690 62.300 0.092 0.000 0.860 915 V CB 2.063 33.936 31.823 0.083 0.000 0.991 915 V HN 0.455 nan 8.190 nan 0.000 0.427 916 I N 3.879 124.543 120.570 0.156 0.000 2.534 916 I HA 0.609 4.778 4.170 -0.001 0.000 0.288 916 I C -0.810 175.371 176.117 0.106 0.000 1.077 916 I CA -0.145 61.229 61.300 0.122 0.000 1.051 916 I CB 2.000 40.085 38.000 0.141 0.000 1.234 916 I HN 0.680 nan 8.210 nan 0.000 0.425 917 E N 5.855 126.111 120.200 0.094 0.000 2.266 917 E HA 0.795 5.144 4.350 -0.001 0.000 0.268 917 E C -1.317 175.352 176.600 0.115 0.000 0.879 917 E CA -1.001 55.471 56.400 0.121 0.000 0.762 917 E CB 2.397 32.188 29.700 0.152 0.000 1.199 917 E HN 0.642 nan 8.360 nan 0.000 0.422 918 A N 1.874 124.763 122.820 0.115 0.000 2.422 918 A HA 0.617 4.936 4.320 -0.001 0.000 0.302 918 A C -1.216 176.411 177.584 0.073 0.000 1.041 918 A CA -0.605 51.461 52.037 0.048 0.000 0.708 918 A CB 1.404 20.433 19.000 0.048 0.000 1.257 918 A HN 0.327 nan 8.150 nan 0.000 0.414 919 V N 2.685 122.588 119.914 -0.019 0.000 2.409 919 V HA 0.395 4.515 4.120 -0.001 0.000 0.291 919 V C -1.227 174.855 176.094 -0.018 0.000 1.020 919 V CA -0.329 62.002 62.300 0.051 0.000 0.848 919 V CB 0.890 32.730 31.823 0.028 0.000 0.990 919 V HN 0.787 nan 8.190 nan 0.000 0.430 920 Y N 4.941 125.312 120.300 0.119 0.000 2.360 920 Y HA 0.721 5.270 4.550 -0.001 0.000 0.337 920 Y C -0.202 175.776 175.900 0.130 0.000 1.039 920 Y CA -0.704 57.492 58.100 0.160 0.000 1.109 920 Y CB 1.904 40.482 38.460 0.197 0.000 1.201 920 Y HN 0.514 nan 8.280 nan 0.000 0.458 921 L N 4.637 126.020 121.223 0.267 0.000 2.439 921 L HA 0.539 4.878 4.340 -0.001 0.000 0.270 921 L C -1.075 175.914 176.870 0.198 0.000 0.972 921 L CA -0.680 54.274 54.840 0.190 0.000 0.836 921 L CB 1.448 43.575 42.059 0.114 0.000 1.255 921 L HN 0.661 nan 8.230 nan 0.000 0.404 922 R N 2.836 123.443 120.500 0.178 0.000 2.338 922 R HA 0.763 5.102 4.340 -0.001 0.000 0.317 922 R C -1.259 175.124 176.300 0.137 0.000 0.968 922 R CA -0.218 55.976 56.100 0.156 0.000 0.849 922 R CB 1.532 31.917 30.300 0.142 0.000 1.128 922 R HN 0.697 nan 8.270 nan 0.000 0.448 923 T N 6.077 120.727 114.554 0.160 0.000 3.172 923 T HA 0.401 4.751 4.350 -0.001 0.000 0.320 923 T C -2.711 172.124 174.700 0.225 0.000 1.085 923 T CA -1.544 60.645 62.100 0.149 0.000 1.052 923 T CB 1.575 70.499 68.868 0.093 0.000 1.107 923 T HN 0.446 nan 8.240 nan 0.000 0.458 924 P HA 0.394 nan 4.420 nan 0.000 0.302 924 P C -0.127 177.337 177.300 0.273 0.000 1.301 924 P CA -0.215 62.982 63.100 0.161 0.000 0.745 924 P CB 0.095 31.860 31.700 0.108 0.000 1.331 925 F N -2.753 117.062 119.950 -0.224 0.000 2.983 925 F HA -0.204 4.322 4.527 -0.001 0.000 0.288 925 F C 0.806 176.551 175.800 -0.092 0.000 0.980 925 F CA 0.100 57.980 58.000 -0.201 0.000 0.965 925 F CB -2.325 36.569 39.000 -0.178 0.000 0.967 925 F HN 0.149 nan 8.300 nan 0.000 0.800 926 S N 0.125 115.841 115.700 0.026 0.000 2.572 926 S HA 0.702 5.171 4.470 -0.001 0.000 0.279 926 S C 0.625 175.247 174.600 0.037 0.000 1.341 926 S CA -0.564 57.662 58.200 0.042 0.000 1.043 926 S CB 1.729 64.936 63.200 0.012 0.000 0.887 926 S HN 0.854 nan 8.310 nan 0.000 0.516 927 A N 1.706 124.563 122.820 0.061 0.000 2.346 927 A HA 0.600 4.919 4.320 -0.001 0.000 0.255 927 A C 1.144 178.746 177.584 0.029 0.000 1.113 927 A CA -0.207 51.865 52.037 0.059 0.000 0.798 927 A CB -0.468 18.576 19.000 0.074 0.000 1.073 927 A HN 1.505 nan 8.150 nan 0.000 0.502 928 G N -1.892 106.924 108.800 0.026 0.000 3.651 928 G HA2 0.468 4.427 3.960 -0.001 0.000 0.267 928 G HA3 0.468 4.427 3.960 -0.001 0.000 0.267 928 G C 0.188 175.091 174.900 0.006 0.000 1.009 928 G CA 0.972 46.078 45.100 0.010 0.000 0.866 928 G HN 1.212 nan 8.290 nan 0.000 0.488 929 N N 0.000 118.704 118.700 0.007 0.000 1.763 929 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 929 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 929 N CB 0.000 38.487 38.487 0.000 0.000 1.341 929 N HN 0.000 nan 8.380 nan 0.000 0.667