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 2pzs_1_B DATA FIRST_RESID 5 DATA SEQUENCE PRKMYSCAFE TTTKVEDCRV WAYGYMNIED HSEYKIGNSL DEFMAWVLKV DATA SEQUENCE QADLYFHNLK FAGAFIINWL ERNGFKWSAD GLPNTYNTII SRMGQWYMID DATA SEQUENCE ICLGYKGKRK IHTVIYDSLK KLPFPVKKIA KDFKLTVLKG DIDYHKERPV DATA SEQUENCE GYKITPEEYA YIKNDIQIIA EALLIQFKQG LDRMTAGSDS LKGFKDIITT DATA SEQUENCE KKFKKVFPTL SLGLDKEVRY AYRGGFTWLN DRFKEKEIGE GMVFDVNSLY DATA SEQUENCE PAQMYSRLLP YGEPIVFEGK YVWDEDYPLH IQHIRCEFEL KEGYIPTIQI DATA SEQUENCE KXXXXXKGNE YLKSSGGEIA DLWLSNVDLE LMKEHYDLYN VEYISGLKFK DATA SEQUENCE ATTGLFKDFI DKWTYIKTTS EGAIKQLAKL MLNSLYGKFA SNPDVTGKVP DATA SEQUENCE YLKENGALGF RLGEEETKDP VYTPMGVFIT AWARYTTITA AQACYDRIIY DATA SEQUENCE CDTDSIHLTG TEIPDVIKDI VDPKKLGYWA HESTFKRAKY LRQKTYIQDI DATA SEQUENCE YMKEVDGKLV EGSPDDYTDI KFSVKCAGMT DKIKKEVTFE NFKVGFSRKM DATA SEQUENCE KPKPVQVPGG VVLVDDTFTI K 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 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.331 177.300 0.051 0.000 1.155 5 P CA 0.000 63.136 63.100 0.060 0.000 0.800 5 P CB 0.000 31.730 31.700 0.050 0.000 0.726 6 R N 1.808 122.341 120.500 0.055 0.000 2.439 6 R HA 0.523 4.878 4.340 0.024 0.000 0.310 6 R C -0.239 176.084 176.300 0.039 0.000 0.955 6 R CA -0.673 55.457 56.100 0.051 0.000 0.853 6 R CB 1.405 31.746 30.300 0.069 0.000 1.171 6 R HN 0.140 nan 8.270 nan 0.000 0.449 7 K N 3.732 124.161 120.400 0.049 0.000 2.258 7 K HA 0.223 4.557 4.320 0.024 0.000 0.264 7 K C -0.269 176.389 176.600 0.098 0.000 1.007 7 K CA 0.108 56.427 56.287 0.052 0.000 0.941 7 K CB 0.977 33.566 32.500 0.149 0.000 0.966 7 K HN 0.420 nan 8.250 nan 0.000 0.480 8 M N 2.230 121.831 119.600 0.003 0.000 2.326 8 M HA 0.330 4.824 4.480 0.024 0.000 0.306 8 M C -1.507 174.793 176.300 -0.000 0.000 1.054 8 M CA -0.626 54.740 55.300 0.109 0.000 0.922 8 M CB 1.410 34.019 32.600 0.016 0.000 1.632 8 M HN 0.419 nan 8.290 nan 0.000 0.436 9 Y N 0.061 120.492 120.300 0.218 0.000 2.499 9 Y HA 0.576 5.140 4.550 0.024 0.000 0.347 9 Y C 0.042 176.065 175.900 0.206 0.000 0.987 9 Y CA -0.774 57.463 58.100 0.229 0.000 1.044 9 Y CB 2.342 41.002 38.460 0.334 0.000 1.245 9 Y HN 0.547 nan 8.280 nan 0.000 0.461 10 S N 1.749 117.588 115.700 0.230 0.000 2.489 10 S HA 0.788 5.272 4.470 0.024 0.000 0.291 10 S C -1.010 173.586 174.600 -0.006 0.000 1.151 10 S CA -0.190 58.053 58.200 0.071 0.000 1.082 10 S CB 0.010 63.181 63.200 -0.049 0.000 1.019 10 S HN 0.711 nan 8.310 nan 0.000 0.492 11 C N 2.921 122.062 119.300 -0.266 0.000 3.090 11 C HA 1.019 5.493 4.460 0.024 0.000 0.305 11 C C -0.092 174.441 174.990 -0.761 0.000 1.292 11 C CA -0.487 58.181 59.018 -0.584 0.000 1.482 11 C CB 1.057 28.107 27.740 -1.149 0.000 1.897 11 C HN 1.139 nan 8.230 nan 0.000 0.469 12 A N 0.991 123.485 122.820 -0.543 0.000 2.608 12 A HA 0.892 5.226 4.320 0.024 0.000 0.292 12 A C -1.631 175.910 177.584 -0.072 0.000 1.066 12 A CA -0.370 51.535 52.037 -0.220 0.000 0.676 12 A CB 0.851 19.772 19.000 -0.132 0.000 1.277 12 A HN 0.730 nan 8.150 nan 0.000 0.413 13 F N 0.035 119.995 119.950 0.018 0.000 2.546 13 F HA 0.635 5.175 4.527 0.021 0.000 0.320 13 F C 0.235 175.856 175.800 -0.299 0.000 1.076 13 F CA -0.763 57.115 58.000 -0.204 0.000 0.928 13 F CB 2.428 41.251 39.000 -0.295 0.000 1.189 13 F HN 0.634 nan 8.300 nan 0.000 0.465 14 E N 1.172 121.164 120.200 -0.347 0.000 2.199 14 E HA 0.465 4.830 4.350 0.024 0.000 0.269 14 E C -0.922 175.223 176.600 -0.757 0.000 0.899 14 E CA -0.416 55.623 56.400 -0.602 0.000 0.772 14 E CB 1.925 30.922 29.700 -1.172 0.000 1.155 14 E HN 0.588 nan 8.360 nan 0.000 0.408 15 T N -0.592 113.807 114.554 -0.258 0.000 2.906 15 T HA 0.632 4.996 4.350 0.024 0.000 0.295 15 T C -0.011 174.910 174.700 0.369 0.000 1.075 15 T CA -0.933 61.129 62.100 -0.063 0.000 1.005 15 T CB 1.238 69.965 68.868 -0.236 0.000 1.136 15 T HN 0.399 nan 8.240 nan 0.000 0.498 16 T N -0.957 113.816 114.554 0.366 0.000 2.904 16 T HA 0.423 4.788 4.350 0.024 0.000 0.290 16 T C 1.118 175.949 174.700 0.220 0.000 1.018 16 T CA -0.001 62.258 62.100 0.265 0.000 1.075 16 T CB 0.762 69.739 68.868 0.182 0.000 0.986 16 T HN 1.042 nan 8.240 nan 0.000 0.523 17 T N -1.660 112.984 114.554 0.149 0.000 3.215 17 T HA 0.343 4.707 4.350 0.024 0.000 0.271 17 T C 0.017 174.808 174.700 0.151 0.000 1.012 17 T CA -0.714 61.476 62.100 0.149 0.000 0.899 17 T CB -0.389 68.520 68.868 0.068 0.000 1.089 17 T HN 0.597 nan 8.240 nan 0.000 0.552 18 K N 0.627 121.101 120.400 0.124 0.000 2.235 18 K HA 0.520 4.854 4.320 0.024 0.000 0.266 18 K C 0.749 177.394 176.600 0.074 0.000 0.980 18 K CA -0.605 55.737 56.287 0.092 0.000 0.849 18 K CB 2.007 34.550 32.500 0.070 0.000 1.098 18 K HN -0.142 nan 8.250 nan 0.000 0.445 19 V N 2.669 122.618 119.914 0.058 0.000 2.594 19 V HA -0.227 3.908 4.120 0.024 0.000 0.253 19 V C 0.976 177.083 176.094 0.022 0.000 1.069 19 V CA 1.774 64.095 62.300 0.036 0.000 1.082 19 V CB -0.508 31.332 31.823 0.028 0.000 0.680 19 V HN 0.757 nan 8.190 nan 0.000 0.469 20 E N -0.614 119.603 120.200 0.027 0.000 2.476 20 E HA 0.182 4.546 4.350 0.024 0.000 0.196 20 E C 0.130 176.745 176.600 0.026 0.000 1.029 20 E CA 0.133 56.544 56.400 0.019 0.000 0.896 20 E CB 0.184 29.894 29.700 0.017 0.000 1.012 20 E HN 0.441 nan 8.360 nan 0.000 0.475 21 D N 0.206 120.631 120.400 0.040 0.000 3.449 21 D HA 0.027 4.682 4.640 0.024 0.000 0.262 21 D C -1.646 174.703 176.300 0.083 0.000 1.343 21 D CA -0.593 53.438 54.000 0.052 0.000 0.787 21 D CB -0.157 40.671 40.800 0.046 0.000 1.412 21 D HN 0.154 nan 8.370 nan 0.000 0.652 22 C N 3.570 122.921 119.300 0.086 0.000 2.265 22 C HA 0.879 5.353 4.460 0.024 0.000 0.332 22 C C -0.141 174.982 174.990 0.222 0.000 1.248 22 C CA -0.185 58.921 59.018 0.146 0.000 1.727 22 C CB -1.114 26.662 27.740 0.060 0.000 2.348 22 C HN 0.579 nan 8.230 nan 0.000 0.519 23 R N 4.066 124.750 120.500 0.307 0.000 2.664 23 R HA 0.547 4.901 4.340 0.024 0.000 0.266 23 R C -1.929 174.432 176.300 0.103 0.000 1.046 23 R CA -0.819 55.434 56.100 0.256 0.000 0.885 23 R CB 0.542 30.939 30.300 0.161 0.000 1.254 23 R HN 0.332 nan 8.270 nan 0.000 0.465 24 V N 3.085 122.925 119.914 -0.124 0.000 2.585 24 V HA 0.033 4.167 4.120 0.024 0.000 0.296 24 V C 0.735 176.781 176.094 -0.080 0.000 1.035 24 V CA 0.345 62.413 62.300 -0.386 0.000 1.084 24 V CB 0.356 31.760 31.823 -0.699 0.000 0.953 24 V HN 0.919 nan 8.190 nan 0.000 0.483 25 W N 3.184 124.420 121.300 -0.107 0.000 2.868 25 W HA 0.707 5.379 4.660 0.019 0.000 0.320 25 W C -0.060 176.477 176.519 0.029 0.000 1.076 25 W CA 0.280 57.619 57.345 -0.010 0.000 1.576 25 W CB 0.393 29.842 29.460 -0.018 0.000 1.030 25 W HN 0.601 nan 8.180 nan 0.000 0.558 26 A N 1.725 124.210 122.820 -0.558 0.000 2.488 26 A HA 0.650 4.984 4.320 0.024 0.000 0.298 26 A C -1.866 175.534 177.584 -0.307 0.000 1.044 26 A CA -0.616 51.144 52.037 -0.461 0.000 0.693 26 A CB 0.975 19.475 19.000 -0.833 0.000 1.272 26 A HN 0.361 nan 8.150 nan 0.000 0.402 27 Y N -0.074 120.115 120.300 -0.185 0.000 2.602 27 Y HA 0.915 5.472 4.550 0.013 0.000 0.342 27 Y C 0.025 175.859 175.900 -0.110 0.000 1.029 27 Y CA -1.017 57.041 58.100 -0.071 0.000 1.080 27 Y CB 1.539 39.991 38.460 -0.014 0.000 1.284 27 Y HN 1.169 nan 8.280 nan 0.000 0.485 28 G N 1.123 109.961 108.800 0.063 0.000 2.759 28 G HA2 0.514 4.488 3.960 0.024 0.000 0.297 28 G HA3 0.514 4.488 3.960 0.024 0.000 0.297 28 G C -2.453 172.502 174.900 0.092 0.000 1.434 28 G CA -0.919 44.126 45.100 -0.092 0.000 0.980 28 G HN 1.052 nan 8.290 nan 0.000 0.531 29 Y N -0.600 119.709 120.300 0.014 0.000 2.545 29 Y HA 0.870 5.430 4.550 0.018 0.000 0.348 29 Y C -0.642 175.320 175.900 0.103 0.000 1.002 29 Y CA -2.152 55.947 58.100 -0.003 0.000 1.039 29 Y CB 2.373 40.661 38.460 -0.287 0.000 1.271 29 Y HN 0.634 nan 8.280 nan 0.000 0.467 30 M N 4.222 124.072 119.600 0.416 0.000 2.224 30 M HA 0.346 4.840 4.480 0.024 0.000 0.281 30 M C -1.497 174.929 176.300 0.210 0.000 1.025 30 M CA -0.629 54.856 55.300 0.309 0.000 0.954 30 M CB 1.422 34.060 32.600 0.062 0.000 1.639 30 M HN 0.920 nan 8.290 nan 0.000 0.461 31 N N 4.562 123.291 118.700 0.048 0.000 2.315 31 N HA -0.016 4.738 4.740 0.024 0.000 0.270 31 N C 0.688 176.128 175.510 -0.116 0.000 1.329 31 N CA 0.616 53.403 53.050 -0.439 0.000 0.860 31 N CB 0.384 38.706 38.487 -0.275 0.000 1.095 31 N HN 0.832 nan 8.380 nan 0.000 0.487 32 I N 2.833 123.303 120.570 -0.166 0.000 2.394 32 I HA -0.203 3.981 4.170 0.024 0.000 0.251 32 I C 1.221 177.377 176.117 0.064 0.000 1.136 32 I CA 1.143 62.430 61.300 -0.022 0.000 1.425 32 I CB -0.015 37.923 38.000 -0.103 0.000 1.079 32 I HN 0.576 nan 8.210 nan 0.000 0.425 33 E N -0.025 120.125 120.200 -0.083 0.000 2.403 33 E HA -0.016 4.348 4.350 0.024 0.000 0.188 33 E C -0.395 176.145 176.600 -0.099 0.000 1.056 33 E CA 0.035 56.374 56.400 -0.102 0.000 0.892 33 E CB 0.307 29.923 29.700 -0.141 0.000 1.049 33 E HN 0.155 nan 8.360 nan 0.000 0.465 34 D N -0.474 119.897 120.400 -0.048 0.000 2.492 34 D HA 0.018 4.672 4.640 0.024 0.000 0.229 34 D C -0.291 176.064 176.300 0.091 0.000 1.345 34 D CA -0.273 53.703 54.000 -0.041 0.000 0.912 34 D CB -0.443 40.350 40.800 -0.011 0.000 1.526 34 D HN 0.165 nan 8.370 nan 0.000 0.505 35 H N 0.249 119.315 119.070 -0.006 0.000 2.563 35 H HA 0.015 4.584 4.556 0.022 0.000 0.272 35 H C 1.873 177.226 175.328 0.042 0.000 1.005 35 H CA 0.849 56.893 56.048 -0.007 0.000 1.171 35 H CB 0.606 30.338 29.762 -0.050 0.000 1.351 35 H HN 0.273 nan 8.280 nan 0.000 0.602 36 S N 0.206 116.012 115.700 0.178 0.000 2.501 36 S HA -0.084 4.400 4.470 0.024 0.000 0.220 36 S C 0.898 175.664 174.600 0.278 0.000 0.997 36 S CA -0.128 58.194 58.200 0.203 0.000 0.919 36 S CB 0.257 63.527 63.200 0.117 0.000 0.778 36 S HN 0.378 nan 8.310 nan 0.000 0.523 37 E N 0.869 121.209 120.200 0.233 0.000 2.001 37 E HA 0.383 4.747 4.350 0.024 0.000 0.279 37 E C -1.297 175.488 176.600 0.308 0.000 1.045 37 E CA -0.757 55.779 56.400 0.227 0.000 0.833 37 E CB 0.389 30.215 29.700 0.210 0.000 1.077 37 E HN 0.646 nan 8.360 nan 0.000 0.397 38 Y N 1.602 121.923 120.300 0.035 0.000 2.624 38 Y HA 0.579 5.151 4.550 0.037 0.000 0.334 38 Y C -1.835 173.836 175.900 -0.381 0.000 1.155 38 Y CA -1.302 56.720 58.100 -0.131 0.000 1.046 38 Y CB 1.294 39.686 38.460 -0.114 0.000 1.316 38 Y HN 0.220 nan 8.280 nan 0.000 0.457 39 K N 3.156 122.985 120.400 -0.952 0.000 2.525 39 K HA 0.715 5.049 4.320 0.024 0.000 0.254 39 K C -2.233 173.932 176.600 -0.725 0.000 0.934 39 K CA -0.590 55.116 56.287 -0.968 0.000 0.802 39 K CB 1.995 33.863 32.500 -1.053 0.000 1.295 39 K HN 0.852 nan 8.250 nan 0.000 0.433 40 I N 2.808 123.025 120.570 -0.588 0.000 2.465 40 I HA 0.600 4.784 4.170 0.024 0.000 0.291 40 I C 0.140 175.863 176.117 -0.656 0.000 1.014 40 I CA -0.739 60.156 61.300 -0.675 0.000 1.093 40 I CB 2.142 39.706 38.000 -0.727 0.000 1.267 40 I HN 0.836 nan 8.210 nan 0.000 0.431 41 G N 3.248 111.404 108.800 -1.073 0.000 2.788 41 G HA2 0.312 4.286 3.960 0.024 0.000 0.293 41 G HA3 0.312 4.286 3.960 0.024 0.000 0.293 41 G C -1.015 173.662 174.900 -0.373 0.000 1.392 41 G CA -0.472 44.241 45.100 -0.644 0.000 0.810 41 G HN 0.616 nan 8.290 nan 0.000 0.508 42 N N -1.260 117.448 118.700 0.014 0.000 2.497 42 N HA 0.297 5.051 4.740 0.024 0.000 0.284 42 N C -0.471 175.165 175.510 0.210 0.000 1.459 42 N CA 0.031 53.167 53.050 0.144 0.000 0.899 42 N CB 0.913 39.514 38.487 0.188 0.000 1.316 42 N HN 0.726 nan 8.380 nan 0.000 0.500 43 S N -0.244 115.631 115.700 0.292 0.000 2.592 43 S HA 0.291 4.775 4.470 0.024 0.000 0.275 43 S C 0.154 174.839 174.600 0.142 0.000 1.169 43 S CA -0.794 57.529 58.200 0.204 0.000 0.958 43 S CB 0.920 64.233 63.200 0.187 0.000 1.095 43 S HN 0.025 nan 8.310 nan 0.000 0.471 44 L N 3.027 124.260 121.223 0.016 0.000 2.141 44 L HA 0.168 4.522 4.340 0.024 0.000 0.209 44 L C 1.633 178.418 176.870 -0.142 0.000 1.094 44 L CA 2.073 56.835 54.840 -0.131 0.000 0.763 44 L CB -0.837 41.116 42.059 -0.176 0.000 0.908 44 L HN 0.825 nan 8.230 nan 0.000 0.437 45 D N -0.337 120.090 120.400 0.044 0.000 2.117 45 D HA -0.230 4.424 4.640 0.024 0.000 0.197 45 D C 2.022 178.327 176.300 0.009 0.000 0.987 45 D CA 1.401 55.478 54.000 0.128 0.000 0.829 45 D CB 0.012 40.983 40.800 0.286 0.000 0.961 45 D HN 0.537 nan 8.370 nan 0.000 0.460 46 E N -0.500 119.721 120.200 0.036 0.000 2.031 46 E HA -0.185 4.180 4.350 0.024 0.000 0.193 46 E C 2.009 178.534 176.600 -0.126 0.000 0.994 46 E CA 0.524 56.942 56.400 0.030 0.000 0.800 46 E CB -0.219 29.575 29.700 0.157 0.000 0.752 46 E HN 0.181 nan 8.360 nan 0.000 0.447 47 F N 0.880 120.489 119.950 -0.568 0.000 2.087 47 F HA -0.293 4.246 4.527 0.020 0.000 0.299 47 F C 2.137 177.768 175.800 -0.280 0.000 1.100 47 F CA 1.646 59.226 58.000 -0.700 0.000 1.226 47 F CB -0.072 38.472 39.000 -0.760 0.000 0.983 47 F HN 0.105 nan 8.300 nan 0.000 0.479 48 M N -0.072 119.289 119.600 -0.399 0.000 2.288 48 M HA 0.021 4.516 4.480 0.024 0.000 0.266 48 M C 2.546 178.568 176.300 -0.464 0.000 1.072 48 M CA 1.279 56.159 55.300 -0.700 0.000 1.132 48 M CB -1.908 29.700 32.600 -1.654 0.000 1.386 48 M HN 0.304 nan 8.290 nan 0.000 0.432 49 A N -0.386 122.298 122.820 -0.228 0.000 1.892 49 A HA -0.248 4.086 4.320 0.024 0.000 0.218 49 A C 2.068 179.586 177.584 -0.111 0.000 1.188 49 A CA 1.914 53.912 52.037 -0.065 0.000 0.631 49 A CB -1.374 17.644 19.000 0.030 0.000 0.822 49 A HN 0.696 nan 8.150 nan 0.000 0.447 50 W N 0.503 121.590 121.300 -0.355 0.000 2.381 50 W HA -0.134 4.539 4.660 0.021 0.000 0.301 50 W C 1.940 178.117 176.519 -0.572 0.000 1.205 50 W CA 2.027 59.107 57.345 -0.442 0.000 1.285 50 W CB -0.366 28.792 29.460 -0.502 0.000 1.133 50 W HN 0.101 nan 8.180 nan 0.000 0.521 51 V N 1.615 121.118 119.914 -0.685 0.000 2.252 51 V HA -0.354 3.780 4.120 0.024 0.000 0.249 51 V C 2.299 178.004 176.094 -0.649 0.000 1.056 51 V CA 2.254 64.041 62.300 -0.854 0.000 1.022 51 V CB -1.074 30.363 31.823 -0.644 0.000 0.641 51 V HN 0.254 nan 8.190 nan 0.000 0.445 52 L N -0.551 120.418 121.223 -0.423 0.000 2.465 52 L HA -0.092 4.263 4.340 0.024 0.000 0.224 52 L C 2.418 179.140 176.870 -0.246 0.000 1.145 52 L CA 1.198 55.890 54.840 -0.248 0.000 0.834 52 L CB -0.499 41.526 42.059 -0.055 0.000 0.944 52 L HN 0.322 nan 8.230 nan 0.000 0.451 53 K N 0.416 120.604 120.400 -0.353 0.000 2.202 53 K HA -0.050 4.284 4.320 0.024 0.000 0.201 53 K C 1.989 178.353 176.600 -0.393 0.000 1.051 53 K CA 0.960 57.067 56.287 -0.299 0.000 0.977 53 K CB 0.333 32.683 32.500 -0.250 0.000 0.792 53 K HN 0.240 nan 8.250 nan 0.000 0.469 54 V N -0.413 119.090 119.914 -0.685 0.000 2.626 54 V HA -0.111 4.023 4.120 0.024 0.000 0.252 54 V C 0.435 176.275 176.094 -0.423 0.000 1.067 54 V CA 0.861 62.741 62.300 -0.701 0.000 1.081 54 V CB -0.970 30.087 31.823 -1.278 0.000 0.686 54 V HN 0.405 nan 8.190 nan 0.000 0.468 55 Q N -0.115 119.461 119.800 -0.374 0.000 2.439 55 Q HA -0.198 4.156 4.340 0.024 0.000 0.325 55 Q C 0.230 176.099 176.000 -0.219 0.000 1.372 55 Q CA 0.450 56.111 55.803 -0.237 0.000 0.909 55 Q CB -1.904 26.760 28.738 -0.122 0.000 1.167 55 Q HN 1.035 nan 8.270 nan 0.000 0.418 56 A N 0.018 122.660 122.820 -0.297 0.000 2.443 56 A HA 0.707 5.042 4.320 0.024 0.000 0.278 56 A C -0.940 176.546 177.584 -0.162 0.000 1.252 56 A CA -0.808 51.132 52.037 -0.162 0.000 0.816 56 A CB 1.160 20.117 19.000 -0.072 0.000 1.369 56 A HN 0.150 nan 8.150 nan 0.000 0.446 57 D N 0.839 121.236 120.400 -0.006 0.000 2.198 57 D HA 0.575 5.229 4.640 0.024 0.000 0.245 57 D C -0.723 175.628 176.300 0.084 0.000 1.079 57 D CA 0.324 54.334 54.000 0.018 0.000 0.854 57 D CB 1.207 42.137 40.800 0.216 0.000 1.148 57 D HN 0.383 nan 8.370 nan 0.000 0.456 58 L N 1.850 123.042 121.223 -0.051 0.000 2.354 58 L HA 0.486 4.840 4.340 0.024 0.000 0.269 58 L C -0.938 175.893 176.870 -0.065 0.000 1.005 58 L CA -1.066 53.823 54.840 0.082 0.000 0.819 58 L CB 1.273 43.408 42.059 0.127 0.000 1.311 58 L HN 0.265 nan 8.230 nan 0.000 0.423 59 Y N 1.119 121.509 120.300 0.150 0.000 2.409 59 Y HA 0.559 5.123 4.550 0.023 0.000 0.343 59 Y C -0.555 175.326 175.900 -0.032 0.000 0.973 59 Y CA -0.336 57.861 58.100 0.161 0.000 1.064 59 Y CB 2.042 40.583 38.460 0.135 0.000 1.207 59 Y HN 0.263 nan 8.280 nan 0.000 0.452 60 F N 0.717 120.789 119.950 0.203 0.000 2.546 60 F HA 0.354 4.894 4.527 0.022 0.000 0.320 60 F C -0.291 175.602 175.800 0.155 0.000 1.076 60 F CA -0.996 57.061 58.000 0.094 0.000 0.928 60 F CB 1.374 40.351 39.000 -0.038 0.000 1.189 60 F HN 0.448 nan 8.300 nan 0.000 0.465 61 H N 2.882 122.053 119.070 0.169 0.000 2.705 61 H HA 0.253 4.823 4.556 0.023 0.000 0.291 61 H C -0.199 175.173 175.328 0.073 0.000 1.085 61 H CA -0.213 55.889 56.048 0.090 0.000 1.357 61 H CB 0.215 29.988 29.762 0.018 0.000 1.419 61 H HN 0.517 nan 8.280 nan 0.000 0.462 62 N N 3.960 122.560 118.700 -0.166 0.000 2.643 62 N HA -0.194 4.560 4.740 0.024 0.000 0.267 62 N C 0.310 175.793 175.510 -0.045 0.000 1.158 62 N CA 0.390 53.366 53.050 -0.123 0.000 0.684 62 N CB -1.091 37.324 38.487 -0.121 0.000 0.879 62 N HN 0.628 nan 8.380 nan 0.000 0.553 63 L N 1.926 123.131 121.223 -0.031 0.000 2.265 63 L HA 0.021 4.376 4.340 0.024 0.000 0.215 63 L C 2.202 178.825 176.870 -0.411 0.000 1.117 63 L CA 2.192 56.991 54.840 -0.069 0.000 0.782 63 L CB -0.347 41.784 42.059 0.119 0.000 0.914 63 L HN 0.532 nan 8.230 nan 0.000 0.441 64 K N -1.319 118.746 120.400 -0.560 0.000 2.127 64 K HA -0.281 4.054 4.320 0.024 0.000 0.208 64 K C 1.967 178.079 176.600 -0.815 0.000 1.047 64 K CA 2.178 57.760 56.287 -1.174 0.000 0.927 64 K CB -0.319 31.819 32.500 -0.604 0.000 0.716 64 K HN 0.398 nan 8.250 nan 0.000 0.450 65 F N 0.177 119.850 119.950 -0.462 0.000 2.104 65 F HA 0.026 4.567 4.527 0.022 0.000 0.288 65 F C 2.120 177.867 175.800 -0.088 0.000 1.107 65 F CA 1.394 59.264 58.000 -0.216 0.000 1.208 65 F CB -0.563 38.379 39.000 -0.096 0.000 1.033 65 F HN 0.034 nan 8.300 nan 0.000 0.478 66 A N 0.198 123.028 122.820 0.017 0.000 1.972 66 A HA -0.058 4.276 4.320 0.024 0.000 0.219 66 A C 2.384 179.853 177.584 -0.192 0.000 1.169 66 A CA 1.605 53.570 52.037 -0.120 0.000 0.635 66 A CB -1.857 16.622 19.000 -0.869 0.000 0.810 66 A HN 0.546 nan 8.150 nan 0.000 0.446 67 G N -0.446 108.147 108.800 -0.345 0.000 2.450 67 G HA2 -0.031 3.943 3.960 0.024 0.000 0.220 67 G HA3 -0.031 3.943 3.960 0.024 0.000 0.220 67 G C 1.672 176.578 174.900 0.010 0.000 1.130 67 G CA 1.398 46.408 45.100 -0.149 0.000 0.760 67 G HN 0.790 nan 8.290 nan 0.000 0.557 68 A N 0.394 123.083 122.820 -0.218 0.000 1.898 68 A HA 0.155 4.489 4.320 0.024 0.000 0.216 68 A C 2.134 179.627 177.584 -0.151 0.000 1.181 68 A CA 1.268 53.230 52.037 -0.124 0.000 0.620 68 A CB -0.487 18.311 19.000 -0.337 0.000 0.819 68 A HN 0.293 nan 8.150 nan 0.000 0.442 69 F N 0.031 119.899 119.950 -0.137 0.000 2.146 69 F HA -0.085 4.457 4.527 0.025 0.000 0.298 69 F C 2.140 177.945 175.800 0.009 0.000 1.096 69 F CA 1.327 59.273 58.000 -0.091 0.000 1.275 69 F CB -0.389 38.512 39.000 -0.166 0.000 1.008 69 F HN 0.115 nan 8.300 nan 0.000 0.480 70 I N -0.238 120.465 120.570 0.221 0.000 2.226 70 I HA -0.294 3.891 4.170 0.024 0.000 0.245 70 I C 2.248 178.435 176.117 0.116 0.000 1.100 70 I CA 1.397 62.801 61.300 0.173 0.000 1.374 70 I CB -0.446 37.618 38.000 0.107 0.000 1.057 70 I HN 0.092 nan 8.210 nan 0.000 0.413 71 I N 0.424 121.043 120.570 0.081 0.000 2.353 71 I HA -0.252 3.932 4.170 0.024 0.000 0.248 71 I C 2.262 178.381 176.117 0.003 0.000 1.119 71 I CA 1.043 62.333 61.300 -0.017 0.000 1.417 71 I CB -0.540 37.527 38.000 0.112 0.000 1.078 71 I HN 0.300 nan 8.210 nan 0.000 0.421 72 N N 0.151 118.863 118.700 0.022 0.000 2.149 72 N HA -0.255 4.499 4.740 0.024 0.000 0.188 72 N C 1.688 177.234 175.510 0.061 0.000 1.019 72 N CA 1.733 54.782 53.050 -0.002 0.000 0.857 72 N CB -0.203 38.245 38.487 -0.065 0.000 0.997 72 N HN 0.437 nan 8.380 nan 0.000 0.426 73 W N 2.021 123.294 121.300 -0.045 0.000 2.378 73 W HA -0.019 4.655 4.660 0.023 0.000 0.313 73 W C 2.213 178.713 176.519 -0.033 0.000 1.197 73 W CA 0.853 58.184 57.345 -0.023 0.000 1.304 73 W CB -0.598 28.858 29.460 -0.006 0.000 1.148 73 W HN -0.056 nan 8.180 nan 0.000 0.494 74 L N 0.569 121.909 121.223 0.195 0.000 1.997 74 L HA -0.306 4.048 4.340 0.024 0.000 0.216 74 L C 2.572 179.442 176.870 -0.000 0.000 1.074 74 L CA 1.799 56.643 54.840 0.007 0.000 0.763 74 L CB -0.984 40.864 42.059 -0.350 0.000 0.890 74 L HN 0.004 nan 8.230 nan 0.000 0.434 75 E N 0.026 120.224 120.200 -0.003 0.000 2.265 75 E HA -0.190 4.174 4.350 0.024 0.000 0.196 75 E C 2.066 178.649 176.600 -0.029 0.000 0.996 75 E CA 1.033 57.466 56.400 0.055 0.000 0.832 75 E CB -0.094 29.643 29.700 0.063 0.000 0.756 75 E HN 0.534 nan 8.360 nan 0.000 0.491 76 R N 0.217 120.633 120.500 -0.139 0.000 2.334 76 R HA 0.148 4.502 4.340 0.024 0.000 0.216 76 R C 0.626 176.740 176.300 -0.310 0.000 0.905 76 R CA 0.032 56.013 56.100 -0.199 0.000 1.064 76 R CB 0.396 30.567 30.300 -0.215 0.000 1.046 76 R HN -0.005 nan 8.270 nan 0.000 0.508 77 N N 0.011 118.480 118.700 -0.385 0.000 2.517 77 N HA 0.101 4.856 4.740 0.024 0.000 0.285 77 N C 0.021 175.465 175.510 -0.110 0.000 1.528 77 N CA 0.402 53.193 53.050 -0.431 0.000 0.892 77 N CB 1.930 39.717 38.487 -1.167 0.000 1.356 77 N HN 0.297 nan 8.380 nan 0.000 0.495 78 G N 0.587 109.342 108.800 -0.076 0.000 2.141 78 G HA2 -0.247 3.728 3.960 0.024 0.000 0.231 78 G HA3 -0.247 3.728 3.960 0.024 0.000 0.231 78 G C -0.403 174.347 174.900 -0.250 0.000 0.984 78 G CA -0.308 44.698 45.100 -0.157 0.000 0.660 78 G HN 0.264 nan 8.290 nan 0.000 0.525 79 F N 1.629 121.588 119.950 0.016 0.000 2.449 79 F HA 0.580 5.120 4.527 0.022 0.000 0.342 79 F C 0.634 176.576 175.800 0.237 0.000 1.127 79 F CA -0.812 57.267 58.000 0.132 0.000 0.975 79 F CB 1.647 40.739 39.000 0.153 0.000 1.146 79 F HN 0.219 nan 8.300 nan 0.000 0.444 80 K N 1.217 121.837 120.400 0.367 0.000 2.185 80 K HA 0.432 4.767 4.320 0.024 0.000 0.240 80 K C -1.050 175.711 176.600 0.269 0.000 0.983 80 K CA -0.891 55.608 56.287 0.353 0.000 0.873 80 K CB 1.511 34.120 32.500 0.181 0.000 1.118 80 K HN 0.600 nan 8.250 nan 0.000 0.441 81 W N 1.503 122.732 121.300 -0.119 0.000 2.181 81 W HA 0.193 4.866 4.660 0.023 0.000 0.335 81 W C -0.338 176.032 176.519 -0.248 0.000 1.310 81 W CA 1.089 58.109 57.345 -0.541 0.000 1.226 81 W CB 0.828 30.036 29.460 -0.419 0.000 1.155 81 W HN 0.633 nan 8.180 nan 0.000 0.565 82 S N 3.816 118.914 115.700 -1.004 0.000 2.563 82 S HA 0.505 4.989 4.470 0.024 0.000 0.279 82 S C 0.082 173.972 174.600 -1.184 0.000 1.155 82 S CA -0.152 57.543 58.200 -0.842 0.000 0.928 82 S CB 0.939 63.930 63.200 -0.349 0.000 1.107 82 S HN 0.941 nan 8.310 nan 0.000 0.462 83 A N 2.742 124.911 122.820 -1.086 0.000 2.167 83 A HA 0.150 4.484 4.320 0.024 0.000 0.214 83 A C 1.037 178.430 177.584 -0.318 0.000 1.151 83 A CA 1.000 52.637 52.037 -0.667 0.000 0.735 83 A CB -0.258 18.560 19.000 -0.302 0.000 0.802 83 A HN 0.793 nan 8.150 nan 0.000 0.467 84 D N -0.670 119.573 120.400 -0.261 0.000 2.339 84 D HA 0.229 4.884 4.640 0.024 0.000 0.217 84 D C 1.258 177.504 176.300 -0.090 0.000 1.050 84 D CA 0.895 54.813 54.000 -0.138 0.000 0.856 84 D CB 0.019 40.755 40.800 -0.106 0.000 0.922 84 D HN 0.490 nan 8.370 nan 0.000 0.518 85 G N 1.497 110.233 108.800 -0.107 0.000 2.249 85 G HA2 -0.307 3.667 3.960 0.024 0.000 0.273 85 G HA3 -0.307 3.667 3.960 0.024 0.000 0.273 85 G C 0.345 175.306 174.900 0.101 0.000 1.036 85 G CA -0.035 45.067 45.100 0.003 0.000 0.824 85 G HN 0.327 nan 8.290 nan 0.000 0.504 86 L N 1.011 122.249 121.223 0.025 0.000 2.473 86 L HA 0.281 4.635 4.340 0.024 0.000 0.268 86 L C -1.033 175.894 176.870 0.095 0.000 1.215 86 L CA -1.598 53.278 54.840 0.060 0.000 0.823 86 L CB 0.333 42.388 42.059 -0.006 0.000 1.099 86 L HN 0.049 nan 8.230 nan 0.000 0.483 87 P HA 0.021 nan 4.420 nan 0.000 0.275 87 P C -0.566 176.744 177.300 0.017 0.000 1.227 87 P CA -0.065 63.080 63.100 0.076 0.000 0.781 87 P CB 0.502 32.249 31.700 0.077 0.000 0.906 88 N N -0.838 117.874 118.700 0.020 0.000 2.754 88 N HA -0.136 4.618 4.740 0.024 0.000 0.248 88 N C -0.353 175.141 175.510 -0.026 0.000 1.093 88 N CA 1.495 54.452 53.050 -0.156 0.000 0.699 88 N CB -1.119 37.157 38.487 -0.350 0.000 1.016 88 N HN 0.761 nan 8.380 nan 0.000 0.552 89 T N -3.248 111.453 114.554 0.246 0.000 2.804 89 T HA 0.695 5.060 4.350 0.024 0.000 0.290 89 T C -0.755 174.194 174.700 0.415 0.000 1.099 89 T CA -0.822 61.473 62.100 0.325 0.000 1.011 89 T CB 1.816 70.719 68.868 0.058 0.000 1.291 89 T HN 0.299 nan 8.240 nan 0.000 0.523 90 Y N -0.213 120.146 120.300 0.098 0.000 2.524 90 Y HA 0.838 5.403 4.550 0.025 0.000 0.347 90 Y C -0.860 174.912 175.900 -0.213 0.000 1.005 90 Y CA -1.162 56.940 58.100 0.003 0.000 1.025 90 Y CB 1.459 39.954 38.460 0.058 0.000 1.275 90 Y HN 0.829 nan 8.280 nan 0.000 0.460 91 N N 0.696 119.244 118.700 -0.253 0.000 2.432 91 N HA 0.753 5.508 4.740 0.024 0.000 0.292 91 N C -1.462 174.060 175.510 0.019 0.000 1.193 91 N CA -0.156 52.635 53.050 -0.432 0.000 0.878 91 N CB 2.197 40.485 38.487 -0.332 0.000 1.252 91 N HN 0.941 nan 8.380 nan 0.000 0.520 92 T N -1.143 113.538 114.554 0.212 0.000 2.933 92 T HA 0.543 4.908 4.350 0.024 0.000 0.305 92 T C -0.539 174.279 174.700 0.197 0.000 1.092 92 T CA -0.691 61.556 62.100 0.246 0.000 1.008 92 T CB 0.347 69.377 68.868 0.270 0.000 1.102 92 T HN 0.333 nan 8.240 nan 0.000 0.469 93 I N 3.004 123.658 120.570 0.140 0.000 2.306 93 I HA 0.465 4.649 4.170 0.024 0.000 0.288 93 I C -0.642 175.545 176.117 0.116 0.000 1.036 93 I CA -0.678 60.700 61.300 0.131 0.000 1.221 93 I CB 0.620 38.703 38.000 0.139 0.000 1.385 93 I HN 0.535 nan 8.210 nan 0.000 0.472 94 I N 5.603 126.182 120.570 0.015 0.000 2.500 94 I HA 0.190 4.374 4.170 0.024 0.000 0.286 94 I C 0.395 176.491 176.117 -0.036 0.000 1.063 94 I CA -0.433 60.787 61.300 -0.134 0.000 1.062 94 I CB 2.180 39.887 38.000 -0.489 0.000 1.223 94 I HN 0.553 nan 8.210 nan 0.000 0.435 95 S N 5.266 121.012 115.700 0.075 0.000 2.600 95 S HA 0.184 4.668 4.470 0.024 0.000 0.265 95 S C 1.294 175.888 174.600 -0.010 0.000 1.325 95 S CA -0.437 57.804 58.200 0.069 0.000 1.002 95 S CB 0.911 64.212 63.200 0.167 0.000 0.921 95 S HN 0.820 nan 8.310 nan 0.000 0.554 96 R N 0.584 121.082 120.500 -0.003 0.000 2.241 96 R HA 0.047 4.401 4.340 0.024 0.000 0.224 96 R C 1.195 177.484 176.300 -0.018 0.000 1.101 96 R CA 1.182 57.271 56.100 -0.019 0.000 0.995 96 R CB -0.406 29.890 30.300 -0.005 0.000 0.870 96 R HN 0.554 nan 8.270 nan 0.000 0.463 97 M N 0.369 119.972 119.600 0.005 0.000 2.453 97 M HA 0.282 4.776 4.480 0.024 0.000 0.239 97 M C 0.735 177.038 176.300 0.006 0.000 1.151 97 M CA 0.612 55.919 55.300 0.012 0.000 0.989 97 M CB 0.662 33.283 32.600 0.035 0.000 1.548 97 M HN 0.605 nan 8.290 nan 0.000 0.479 98 G N 0.534 109.320 108.800 -0.024 0.000 2.157 98 G HA2 -0.186 3.789 3.960 0.024 0.000 0.248 98 G HA3 -0.186 3.789 3.960 0.024 0.000 0.248 98 G C 0.113 175.089 174.900 0.127 0.000 0.979 98 G CA -0.206 44.891 45.100 -0.004 0.000 0.650 98 G HN 0.448 nan 8.290 nan 0.000 0.529 99 Q N -0.540 119.317 119.800 0.095 0.000 2.296 99 Q HA 0.370 4.724 4.340 0.024 0.000 0.262 99 Q C -0.394 175.644 176.000 0.063 0.000 0.981 99 Q CA 0.087 55.919 55.803 0.048 0.000 0.905 99 Q CB 0.665 29.420 28.738 0.029 0.000 1.186 99 Q HN 0.399 nan 8.270 nan 0.000 0.399 100 W N 2.555 123.687 121.300 -0.280 0.000 2.433 100 W HA 0.256 4.930 4.660 0.023 0.000 0.315 100 W C 0.236 176.573 176.519 -0.303 0.000 1.087 100 W CA -0.368 56.888 57.345 -0.149 0.000 1.205 100 W CB 0.459 29.885 29.460 -0.057 0.000 1.288 100 W HN 0.672 nan 8.180 nan 0.000 0.504 101 Y N 1.053 121.501 120.300 0.248 0.000 2.585 101 Y HA 0.381 4.945 4.550 0.024 0.000 0.272 101 Y C 0.627 176.683 175.900 0.261 0.000 1.119 101 Y CA -0.149 58.085 58.100 0.223 0.000 1.255 101 Y CB 0.704 39.256 38.460 0.153 0.000 1.284 101 Y HN 0.228 nan 8.280 nan 0.000 0.499 102 M N 0.350 120.152 119.600 0.337 0.000 2.426 102 M HA 0.440 4.934 4.480 0.024 0.000 0.289 102 M C -2.478 173.893 176.300 0.119 0.000 1.168 102 M CA -0.335 55.070 55.300 0.175 0.000 0.933 102 M CB 2.033 34.740 32.600 0.178 0.000 1.750 102 M HN -0.045 nan 8.290 nan 0.000 0.494 103 I N 3.306 123.895 120.570 0.032 0.000 2.466 103 I HA 0.291 4.475 4.170 0.024 0.000 0.279 103 I C -1.016 175.094 176.117 -0.012 0.000 1.033 103 I CA -0.600 60.753 61.300 0.089 0.000 1.123 103 I CB 1.440 39.526 38.000 0.143 0.000 1.237 103 I HN 0.526 nan 8.210 nan 0.000 0.460 104 D N 8.003 128.422 120.400 0.030 0.000 2.347 104 D HA 0.369 5.023 4.640 0.024 0.000 0.235 104 D C -0.383 175.959 176.300 0.071 0.000 1.149 104 D CA -0.187 53.816 54.000 0.005 0.000 0.850 104 D CB 1.100 41.934 40.800 0.057 0.000 1.061 104 D HN 0.374 nan 8.370 nan 0.000 0.487 105 I N 4.227 124.802 120.570 0.009 0.000 2.307 105 I HA 0.146 4.331 4.170 0.024 0.000 0.287 105 I C 0.397 176.565 176.117 0.084 0.000 1.054 105 I CA -0.782 60.534 61.300 0.027 0.000 1.218 105 I CB 1.224 39.133 38.000 -0.151 0.000 1.398 105 I HN 0.261 nan 8.210 nan 0.000 0.475 106 C N 7.258 126.650 119.300 0.154 0.000 2.347 106 C HA 0.403 4.878 4.460 0.024 0.000 0.353 106 C C 1.431 176.512 174.990 0.151 0.000 1.273 106 C CA -0.357 58.717 59.018 0.095 0.000 1.861 106 C CB -0.004 27.741 27.740 0.009 0.000 2.420 106 C HN 0.879 nan 8.230 nan 0.000 0.542 107 L N 4.632 125.890 121.223 0.060 0.000 2.388 107 L HA 0.396 4.750 4.340 0.024 0.000 0.209 107 L C 1.418 178.281 176.870 -0.013 0.000 1.061 107 L CA 0.954 55.838 54.840 0.074 0.000 0.834 107 L CB -0.362 41.730 42.059 0.056 0.000 1.029 107 L HN 0.940 nan 8.230 nan 0.000 0.473 108 G N -2.081 106.640 108.800 -0.130 0.000 2.348 108 G HA2 0.339 4.314 3.960 0.024 0.000 0.296 108 G HA3 0.339 4.314 3.960 0.024 0.000 0.296 108 G C -2.209 172.471 174.900 -0.367 0.000 1.258 108 G CA -0.499 44.536 45.100 -0.109 0.000 0.868 108 G HN -0.187 nan 8.290 nan 0.000 0.488 109 Y N -0.864 119.417 120.300 -0.031 0.000 2.634 109 Y HA 0.795 5.361 4.550 0.025 0.000 0.340 109 Y C -0.036 175.848 175.900 -0.027 0.000 1.058 109 Y CA -0.936 57.140 58.100 -0.040 0.000 1.081 109 Y CB 2.727 41.159 38.460 -0.047 0.000 1.295 109 Y HN 0.484 nan 8.280 nan 0.000 0.487 110 K N 1.039 121.527 120.400 0.148 0.000 2.865 110 K HA 0.535 4.870 4.320 0.024 0.000 0.215 110 K C -0.131 176.514 176.600 0.076 0.000 1.120 110 K CA 0.483 56.816 56.287 0.078 0.000 1.037 110 K CB 0.447 32.968 32.500 0.036 0.000 1.233 110 K HN 0.928 nan 8.250 nan 0.000 0.577 111 G N 2.531 111.373 108.800 0.070 0.000 2.512 111 G HA2 -0.323 3.651 3.960 0.024 0.000 0.254 111 G HA3 -0.323 3.651 3.960 0.024 0.000 0.254 111 G C 0.106 175.044 174.900 0.063 0.000 1.199 111 G CA 0.045 45.172 45.100 0.044 0.000 0.941 111 G HN 0.436 nan 8.290 nan 0.000 0.569 112 K N 0.747 121.174 120.400 0.045 0.000 2.522 112 K HA 0.141 4.475 4.320 0.024 0.000 0.194 112 K C 1.202 177.877 176.600 0.124 0.000 1.026 112 K CA 0.005 56.327 56.287 0.058 0.000 1.119 112 K CB 0.134 32.644 32.500 0.015 0.000 0.856 112 K HN 0.318 nan 8.250 nan 0.000 0.513 113 R N 1.966 122.542 120.500 0.128 0.000 2.221 113 R HA 0.116 4.471 4.340 0.024 0.000 0.327 113 R C -0.561 175.760 176.300 0.036 0.000 1.033 113 R CA -0.235 55.910 56.100 0.075 0.000 0.887 113 R CB 0.722 31.045 30.300 0.039 0.000 1.057 113 R HN -0.099 nan 8.270 nan 0.000 0.455 114 K N 5.604 125.926 120.400 -0.130 0.000 2.248 114 K HA 0.180 4.514 4.320 0.024 0.000 0.281 114 K C -0.322 176.001 176.600 -0.463 0.000 1.054 114 K CA -0.605 55.332 56.287 -0.583 0.000 0.903 114 K CB 0.640 32.712 32.500 -0.714 0.000 1.077 114 K HN 0.421 nan 8.250 nan 0.000 0.474 115 I N 6.746 127.054 120.570 -0.436 0.000 2.322 115 I HA 0.173 4.357 4.170 0.024 0.000 0.292 115 I C 0.154 176.221 176.117 -0.083 0.000 1.060 115 I CA 0.084 61.277 61.300 -0.178 0.000 1.309 115 I CB -0.633 37.286 38.000 -0.136 0.000 1.415 115 I HN 0.835 nan 8.210 nan 0.000 0.492 116 H N 1.927 120.892 119.070 -0.174 0.000 2.987 116 H HA 0.517 5.088 4.556 0.024 0.000 0.316 116 H C -1.322 173.906 175.328 -0.167 0.000 1.380 116 H CA -0.956 54.998 56.048 -0.157 0.000 1.160 116 H CB 1.226 30.897 29.762 -0.151 0.000 1.865 116 H HN 0.269 nan 8.280 nan 0.000 0.521 117 T N 2.260 116.650 114.554 -0.274 0.000 2.792 117 T HA 0.425 4.789 4.350 0.024 0.000 0.280 117 T C -0.561 173.878 174.700 -0.435 0.000 0.990 117 T CA -0.671 61.184 62.100 -0.410 0.000 0.960 117 T CB 1.453 70.090 68.868 -0.385 0.000 0.939 117 T HN 0.415 nan 8.240 nan 0.000 0.439 118 V N 4.922 124.526 119.914 -0.517 0.000 2.532 118 V HA 0.576 4.711 4.120 0.024 0.000 0.295 118 V C -0.156 175.607 176.094 -0.553 0.000 1.041 118 V CA -0.841 61.143 62.300 -0.528 0.000 0.926 118 V CB 1.594 33.050 31.823 -0.611 0.000 0.992 118 V HN 0.759 nan 8.190 nan 0.000 0.457 119 I N 4.103 124.361 120.570 -0.520 0.000 2.436 119 I HA 0.523 4.707 4.170 0.024 0.000 0.289 119 I C -1.112 174.774 176.117 -0.384 0.000 1.010 119 I CA -0.492 60.607 61.300 -0.336 0.000 1.098 119 I CB 1.633 39.620 38.000 -0.022 0.000 1.266 119 I HN 0.537 nan 8.210 nan 0.000 0.434 120 Y N 2.400 122.619 120.300 -0.135 0.000 2.630 120 Y HA 0.373 4.937 4.550 0.024 0.000 0.337 120 Y C -0.222 175.720 175.900 0.070 0.000 1.051 120 Y CA -0.923 57.118 58.100 -0.097 0.000 1.121 120 Y CB 1.568 39.804 38.460 -0.373 0.000 1.299 120 Y HN 0.406 nan 8.280 nan 0.000 0.498 121 D N -0.161 120.457 120.400 0.363 0.000 2.373 121 D HA 0.166 4.820 4.640 0.024 0.000 0.227 121 D C 0.484 176.980 176.300 0.327 0.000 1.091 121 D CA -0.234 53.933 54.000 0.278 0.000 0.840 121 D CB 1.296 42.179 40.800 0.138 0.000 1.060 121 D HN 0.536 nan 8.370 nan 0.000 0.502 122 S N 3.098 119.026 115.700 0.381 0.000 2.481 122 S HA -0.143 4.341 4.470 0.024 0.000 0.231 122 S C 1.835 176.532 174.600 0.161 0.000 0.996 122 S CA -0.035 58.371 58.200 0.343 0.000 0.942 122 S CB -0.115 63.312 63.200 0.379 0.000 0.768 122 S HN 0.472 nan 8.310 nan 0.000 0.520 123 L N 1.447 122.614 121.223 -0.093 0.000 2.191 123 L HA 0.075 4.430 4.340 0.024 0.000 0.212 123 L C 2.062 178.864 176.870 -0.113 0.000 1.103 123 L CA 1.533 56.201 54.840 -0.287 0.000 0.769 123 L CB -0.418 41.399 42.059 -0.405 0.000 0.908 123 L HN 0.103 nan 8.230 nan 0.000 0.438 124 K N -0.591 119.795 120.400 -0.023 0.000 2.366 124 K HA -0.027 4.307 4.320 0.024 0.000 0.198 124 K C 1.862 178.489 176.600 0.045 0.000 1.044 124 K CA 0.692 56.987 56.287 0.012 0.000 0.973 124 K CB 0.065 32.611 32.500 0.077 0.000 0.767 124 K HN 0.395 nan 8.250 nan 0.000 0.475 125 K N 0.064 120.506 120.400 0.070 0.000 2.244 125 K HA 0.189 4.523 4.320 0.024 0.000 0.200 125 K C 0.491 177.126 176.600 0.058 0.000 1.052 125 K CA 0.369 56.697 56.287 0.069 0.000 0.980 125 K CB 0.519 33.064 32.500 0.076 0.000 0.838 125 K HN -0.002 nan 8.250 nan 0.000 0.481 126 L N 3.180 124.442 121.223 0.064 0.000 2.457 126 L HA 0.257 4.611 4.340 0.024 0.000 0.252 126 L C -2.433 174.414 176.870 -0.039 0.000 1.132 126 L CA -1.545 53.353 54.840 0.098 0.000 0.938 126 L CB 1.732 43.877 42.059 0.144 0.000 1.246 126 L HN -0.153 nan 8.230 nan 0.000 0.476 127 P HA 0.211 nan 4.420 nan 0.000 0.230 127 P C -0.946 175.832 177.300 -0.870 0.000 1.791 127 P CA 0.258 63.029 63.100 -0.549 0.000 1.020 127 P CB -0.482 30.922 31.700 -0.493 0.000 1.977 128 F N 0.278 120.276 119.950 0.081 0.000 2.668 128 F HA 0.457 4.998 4.527 0.023 0.000 0.309 128 F C -2.357 173.530 175.800 0.145 0.000 1.117 128 F CA -2.898 55.151 58.000 0.082 0.000 0.951 128 F CB 0.877 39.918 39.000 0.069 0.000 1.323 128 F HN -0.192 nan 8.300 nan 0.000 0.451 129 P HA 0.063 nan 4.420 nan 0.000 0.268 129 P C 0.838 178.226 177.300 0.146 0.000 1.208 129 P CA -0.047 63.175 63.100 0.203 0.000 0.777 129 P CB 0.701 32.465 31.700 0.107 0.000 0.875 130 V N 2.648 122.592 119.914 0.051 0.000 2.324 130 V HA -0.287 3.847 4.120 0.024 0.000 0.250 130 V C 2.073 178.116 176.094 -0.085 0.000 1.060 130 V CA 1.937 64.156 62.300 -0.135 0.000 1.042 130 V CB -0.974 30.756 31.823 -0.155 0.000 0.650 130 V HN 0.635 nan 8.190 nan 0.000 0.450 131 K N -0.197 120.186 120.400 -0.027 0.000 2.103 131 K HA -0.161 4.173 4.320 0.024 0.000 0.204 131 K C 2.278 178.865 176.600 -0.021 0.000 1.052 131 K CA 1.202 57.477 56.287 -0.020 0.000 0.945 131 K CB -0.146 32.354 32.500 -0.000 0.000 0.722 131 K HN 0.373 nan 8.250 nan 0.000 0.443 132 K N 1.386 121.784 120.400 -0.004 0.000 2.097 132 K HA -0.086 4.248 4.320 0.024 0.000 0.205 132 K C 1.951 178.508 176.600 -0.072 0.000 1.050 132 K CA 0.925 57.199 56.287 -0.022 0.000 0.938 132 K CB 0.009 32.519 32.500 0.016 0.000 0.718 132 K HN 0.019 nan 8.250 nan 0.000 0.442 133 I N 1.032 121.548 120.570 -0.090 0.000 2.099 133 I HA -0.305 3.879 4.170 0.024 0.000 0.239 133 I C 2.500 178.532 176.117 -0.141 0.000 1.066 133 I CA 1.319 62.485 61.300 -0.224 0.000 1.324 133 I CB -0.556 37.226 38.000 -0.364 0.000 1.037 133 I HN 0.264 nan 8.210 nan 0.000 0.401 134 A N 0.912 123.661 122.820 -0.119 0.000 1.896 134 A HA -0.356 3.978 4.320 0.024 0.000 0.220 134 A C 2.367 179.958 177.584 0.012 0.000 1.206 134 A CA 2.653 54.658 52.037 -0.054 0.000 0.647 134 A CB -0.801 18.165 19.000 -0.056 0.000 0.828 134 A HN 0.439 nan 8.150 nan 0.000 0.455 135 K N -0.847 119.554 120.400 0.002 0.000 1.985 135 K HA -0.215 4.120 4.320 0.024 0.000 0.210 135 K C 1.532 178.152 176.600 0.034 0.000 1.047 135 K CA 1.855 58.148 56.287 0.010 0.000 0.932 135 K CB -0.307 32.188 32.500 -0.007 0.000 0.716 135 K HN 0.377 nan 8.250 nan 0.000 0.439 136 D N -0.217 120.212 120.400 0.048 0.000 2.178 136 D HA -0.145 4.509 4.640 0.024 0.000 0.201 136 D C 1.278 177.654 176.300 0.127 0.000 0.980 136 D CA 1.072 55.108 54.000 0.060 0.000 0.842 136 D CB -0.073 40.733 40.800 0.011 0.000 0.948 136 D HN 0.234 nan 8.370 nan 0.000 0.472 137 F N 0.276 120.176 119.950 -0.082 0.000 2.693 137 F HA 0.217 4.759 4.527 0.024 0.000 0.303 137 F C 0.626 176.405 175.800 -0.036 0.000 1.097 137 F CA -0.278 57.691 58.000 -0.050 0.000 1.330 137 F CB -0.136 38.841 39.000 -0.039 0.000 1.067 137 F HN -0.266 nan 8.300 nan 0.000 0.565 138 K N 0.972 121.440 120.400 0.113 0.000 3.148 138 K HA -0.195 4.139 4.320 0.024 0.000 0.267 138 K C -0.702 175.931 176.600 0.056 0.000 0.996 138 K CA 0.215 56.535 56.287 0.054 0.000 0.737 138 K CB -1.889 30.625 32.500 0.024 0.000 1.308 138 K HN 0.270 nan 8.250 nan 0.000 0.470 139 L N 0.316 121.574 121.223 0.058 0.000 2.325 139 L HA 0.302 4.656 4.340 0.024 0.000 0.278 139 L C 0.906 177.773 176.870 -0.005 0.000 1.023 139 L CA -1.003 53.852 54.840 0.025 0.000 0.811 139 L CB 1.599 43.664 42.059 0.010 0.000 1.249 139 L HN -0.034 nan 8.230 nan 0.000 0.431 140 T N 1.985 116.530 114.554 -0.016 0.000 2.908 140 T HA 0.166 4.531 4.350 0.024 0.000 0.301 140 T C -0.238 174.439 174.700 -0.038 0.000 1.019 140 T CA 0.202 62.286 62.100 -0.027 0.000 1.152 140 T CB 0.814 69.661 68.868 -0.035 0.000 0.966 140 T HN 0.343 nan 8.240 nan 0.000 0.540 141 V N 6.174 126.070 119.914 -0.029 0.000 2.623 141 V HA 0.452 4.586 4.120 0.024 0.000 0.304 141 V C -0.513 175.574 176.094 -0.012 0.000 1.054 141 V CA -1.008 61.278 62.300 -0.024 0.000 0.882 141 V CB 1.518 33.332 31.823 -0.014 0.000 1.002 141 V HN 0.798 nan 8.190 nan 0.000 0.424 142 L N 6.312 127.526 121.223 -0.015 0.000 2.453 142 L HA 0.347 4.701 4.340 0.024 0.000 0.272 142 L C 0.628 177.550 176.870 0.087 0.000 1.182 142 L CA 0.075 54.905 54.840 -0.017 0.000 0.858 142 L CB 0.456 42.423 42.059 -0.153 0.000 1.120 142 L HN 0.567 nan 8.230 nan 0.000 0.474 143 K N 2.510 122.956 120.400 0.077 0.000 2.322 143 K HA 0.530 4.864 4.320 0.024 0.000 0.283 143 K C 0.378 177.105 176.600 0.211 0.000 1.042 143 K CA 0.286 56.638 56.287 0.108 0.000 0.958 143 K CB 1.148 33.685 32.500 0.061 0.000 0.984 143 K HN 0.844 nan 8.250 nan 0.000 0.473 144 G N 2.432 111.340 108.800 0.180 0.000 2.483 144 G HA2 -0.118 3.856 3.960 0.024 0.000 0.521 144 G HA3 -0.118 3.856 3.960 0.024 0.000 0.521 144 G C -1.560 173.315 174.900 -0.042 0.000 1.278 144 G CA -0.884 44.297 45.100 0.135 0.000 0.965 144 G HN 0.608 nan 8.290 nan 0.000 0.504 145 D N -1.066 119.121 120.400 -0.356 0.000 2.579 145 D HA 0.524 5.178 4.640 0.024 0.000 0.257 145 D C 0.159 175.857 176.300 -1.004 0.000 1.176 145 D CA -0.568 52.979 54.000 -0.755 0.000 0.914 145 D CB 1.984 42.668 40.800 -0.193 0.000 1.431 145 D HN 0.529 nan 8.370 nan 0.000 0.454 146 I N 0.944 120.891 120.570 -1.039 0.000 2.813 146 I HA -0.095 4.089 4.170 0.024 0.000 0.287 146 I C 0.965 176.723 176.117 -0.598 0.000 1.196 146 I CA 0.282 61.199 61.300 -0.639 0.000 1.421 146 I CB 0.286 38.007 38.000 -0.464 0.000 1.365 146 I HN 0.203 nan 8.210 nan 0.000 0.591 147 D N 5.261 125.470 120.400 -0.318 0.000 2.346 147 D HA -0.073 4.582 4.640 0.024 0.000 0.267 147 D C 0.673 176.829 176.300 -0.240 0.000 1.320 147 D CA 0.430 54.315 54.000 -0.192 0.000 0.951 147 D CB 0.292 41.032 40.800 -0.100 0.000 1.079 147 D HN 0.351 nan 8.370 nan 0.000 0.509 148 Y N 2.108 122.366 120.300 -0.070 0.000 2.333 148 Y HA -0.150 4.415 4.550 0.024 0.000 0.290 148 Y C 2.062 177.764 175.900 -0.331 0.000 1.144 148 Y CA 1.086 59.074 58.100 -0.187 0.000 1.228 148 Y CB 0.137 38.432 38.460 -0.275 0.000 0.985 148 Y HN 0.619 nan 8.280 nan 0.000 0.542 149 H N -0.619 118.490 119.070 0.065 0.000 2.652 149 H HA 0.118 4.689 4.556 0.024 0.000 0.274 149 H C 0.718 175.993 175.328 -0.088 0.000 1.021 149 H CA -0.184 55.868 56.048 0.007 0.000 1.187 149 H CB 0.202 29.980 29.762 0.026 0.000 1.505 149 H HN 0.151 nan 8.280 nan 0.000 0.530 150 K N 2.472 122.827 120.400 -0.074 0.000 2.569 150 K HA -0.146 4.189 4.320 0.024 0.000 0.280 150 K C 0.050 176.491 176.600 -0.264 0.000 0.984 150 K CA 0.202 56.384 56.287 -0.176 0.000 1.064 150 K CB 0.533 32.875 32.500 -0.264 0.000 0.866 150 K HN 0.002 nan 8.250 nan 0.000 0.492 151 E N 3.678 123.757 120.200 -0.202 0.000 2.265 151 E HA 0.003 4.368 4.350 0.024 0.000 0.272 151 E C -0.898 175.493 176.600 -0.348 0.000 1.067 151 E CA 0.442 56.721 56.400 -0.202 0.000 0.900 151 E CB 0.423 30.061 29.700 -0.103 0.000 1.017 151 E HN 0.363 nan 8.360 nan 0.000 0.431 152 R N 5.890 126.123 120.500 -0.446 0.000 2.472 152 R HA 0.300 4.654 4.340 0.024 0.000 0.294 152 R C -2.266 173.888 176.300 -0.244 0.000 1.243 152 R CA -1.796 53.914 56.100 -0.651 0.000 1.023 152 R CB 1.253 30.768 30.300 -1.308 0.000 1.157 152 R HN 0.471 nan 8.270 nan 0.000 0.530 153 P HA 0.069 nan 4.420 nan 0.000 0.275 153 P C -0.067 177.290 177.300 0.094 0.000 1.266 153 P CA -0.558 62.559 63.100 0.029 0.000 0.793 153 P CB 0.582 32.310 31.700 0.048 0.000 1.074 154 V N 0.226 120.196 119.914 0.093 0.000 2.673 154 V HA 0.302 4.436 4.120 0.024 0.000 0.303 154 V C 1.691 177.860 176.094 0.124 0.000 1.046 154 V CA 1.581 63.952 62.300 0.118 0.000 1.126 154 V CB -0.471 31.410 31.823 0.096 0.000 0.934 154 V HN 1.041 nan 8.190 nan 0.000 0.487 155 G N 3.286 112.173 108.800 0.145 0.000 2.176 155 G HA2 -0.321 3.654 3.960 0.024 0.000 0.253 155 G HA3 -0.321 3.654 3.960 0.024 0.000 0.253 155 G C 0.076 175.050 174.900 0.124 0.000 0.979 155 G CA 0.297 45.468 45.100 0.119 0.000 0.641 155 G HN 1.149 nan 8.290 nan 0.000 0.530 156 Y N 1.815 122.144 120.300 0.049 0.000 2.805 156 Y HA 0.400 4.966 4.550 0.027 0.000 0.337 156 Y C 0.646 176.579 175.900 0.055 0.000 1.252 156 Y CA 0.610 58.721 58.100 0.018 0.000 1.515 156 Y CB 0.481 38.913 38.460 -0.046 0.000 1.305 156 Y HN 0.187 nan 8.280 nan 0.000 0.600 157 K N 7.496 127.402 120.400 -0.824 0.000 2.253 157 K HA 0.348 4.682 4.320 0.024 0.000 0.277 157 K C -0.682 175.497 176.600 -0.702 0.000 1.053 157 K CA -0.306 55.653 56.287 -0.547 0.000 0.892 157 K CB 0.726 33.023 32.500 -0.337 0.000 1.102 157 K HN 0.628 nan 8.250 nan 0.000 0.469 158 I N 3.577 124.058 120.570 -0.149 0.000 2.668 158 I HA -0.096 4.088 4.170 0.024 0.000 0.285 158 I C 1.175 177.326 176.117 0.056 0.000 1.168 158 I CA 0.251 61.637 61.300 0.142 0.000 1.424 158 I CB 0.186 38.346 38.000 0.267 0.000 1.377 158 I HN 0.699 nan 8.210 nan 0.000 0.560 159 T N 3.814 118.435 114.554 0.113 0.000 2.828 159 T HA 0.202 4.566 4.350 0.024 0.000 0.290 159 T C -1.737 173.023 174.700 0.100 0.000 1.019 159 T CA -1.588 60.551 62.100 0.065 0.000 1.031 159 T CB 1.149 70.068 68.868 0.085 0.000 1.001 159 T HN 0.332 nan 8.240 nan 0.000 0.531 160 P HA -0.072 nan 4.420 nan 0.000 0.216 160 P C 1.230 178.570 177.300 0.067 0.000 1.150 160 P CA 1.053 64.156 63.100 0.004 0.000 0.837 160 P CB 0.037 31.708 31.700 -0.049 0.000 0.786 161 E N -0.460 119.783 120.200 0.070 0.000 2.150 161 E HA -0.159 4.205 4.350 0.024 0.000 0.193 161 E C 1.949 178.651 176.600 0.170 0.000 0.985 161 E CA 1.058 57.501 56.400 0.072 0.000 0.814 161 E CB -0.565 29.195 29.700 0.100 0.000 0.752 161 E HN 0.399 nan 8.360 nan 0.000 0.466 162 E N -0.576 119.771 120.200 0.245 0.000 2.046 162 E HA -0.159 4.205 4.350 0.024 0.000 0.190 162 E C 1.672 178.423 176.600 0.252 0.000 0.982 162 E CA 0.648 57.241 56.400 0.322 0.000 0.800 162 E CB -0.203 29.730 29.700 0.388 0.000 0.756 162 E HN 0.299 nan 8.360 nan 0.000 0.449 163 Y N 0.995 121.344 120.300 0.082 0.000 2.181 163 Y HA -0.344 4.216 4.550 0.017 0.000 0.284 163 Y C 2.119 178.001 175.900 -0.030 0.000 1.179 163 Y CA 1.616 59.725 58.100 0.015 0.000 1.179 163 Y CB -0.123 38.337 38.460 0.001 0.000 0.973 163 Y HN 0.061 nan 8.280 nan 0.000 0.519 164 A N -0.829 122.077 122.820 0.143 0.000 1.873 164 A HA -0.188 4.146 4.320 0.024 0.000 0.215 164 A C 1.969 179.475 177.584 -0.130 0.000 1.186 164 A CA 1.617 53.631 52.037 -0.038 0.000 0.616 164 A CB -1.421 17.480 19.000 -0.166 0.000 0.823 164 A HN 0.628 nan 8.150 nan 0.000 0.442 165 Y N 0.022 120.312 120.300 -0.017 0.000 2.165 165 Y HA -0.231 4.333 4.550 0.023 0.000 0.286 165 Y C 2.259 178.099 175.900 -0.100 0.000 1.155 165 Y CA 1.649 59.718 58.100 -0.052 0.000 1.164 165 Y CB -0.361 38.075 38.460 -0.040 0.000 0.978 165 Y HN 0.237 nan 8.280 nan 0.000 0.513 166 I N -0.129 120.450 120.570 0.015 0.000 2.163 166 I HA -0.287 3.898 4.170 0.024 0.000 0.240 166 I C 2.488 178.492 176.117 -0.189 0.000 1.081 166 I CA 1.398 62.628 61.300 -0.117 0.000 1.353 166 I CB -0.409 37.468 38.000 -0.205 0.000 1.054 166 I HN 0.066 nan 8.210 nan 0.000 0.407 167 K N 1.147 121.390 120.400 -0.262 0.000 2.074 167 K HA -0.279 4.056 4.320 0.024 0.000 0.209 167 K C 2.004 178.461 176.600 -0.238 0.000 1.048 167 K CA 2.010 58.111 56.287 -0.310 0.000 0.926 167 K CB -0.286 31.997 32.500 -0.363 0.000 0.713 167 K HN 0.363 nan 8.250 nan 0.000 0.444 168 N N 0.127 118.726 118.700 -0.169 0.000 2.084 168 N HA -0.182 4.572 4.740 0.024 0.000 0.190 168 N C 1.232 176.664 175.510 -0.131 0.000 1.030 168 N CA 1.467 54.434 53.050 -0.139 0.000 0.849 168 N CB -0.022 38.405 38.487 -0.100 0.000 1.012 168 N HN 0.188 nan 8.380 nan 0.000 0.423 169 D N 1.144 121.483 120.400 -0.102 0.000 2.104 169 D HA -0.158 4.496 4.640 0.024 0.000 0.194 169 D C 2.056 178.260 176.300 -0.161 0.000 0.994 169 D CA 1.279 55.213 54.000 -0.110 0.000 0.830 169 D CB -0.285 40.469 40.800 -0.075 0.000 0.959 169 D HN 0.605 nan 8.370 nan 0.000 0.452 170 I N -1.013 119.453 120.570 -0.174 0.000 2.439 170 I HA -0.153 4.031 4.170 0.024 0.000 0.251 170 I C 2.357 178.338 176.117 -0.227 0.000 1.139 170 I CA 1.100 62.288 61.300 -0.186 0.000 1.438 170 I CB -0.399 37.503 38.000 -0.163 0.000 1.085 170 I HN -0.104 nan 8.210 nan 0.000 0.427 171 Q N 1.571 121.219 119.800 -0.253 0.000 2.123 171 Q HA -0.105 4.249 4.340 0.024 0.000 0.199 171 Q C 2.303 178.131 176.000 -0.288 0.000 0.966 171 Q CA 1.620 57.233 55.803 -0.317 0.000 0.845 171 Q CB -0.056 28.515 28.738 -0.278 0.000 0.907 171 Q HN 0.646 nan 8.270 nan 0.000 0.439 172 I N 0.104 120.540 120.570 -0.222 0.000 2.127 172 I HA -0.308 3.876 4.170 0.024 0.000 0.241 172 I C 1.943 177.912 176.117 -0.246 0.000 1.075 172 I CA 1.041 62.217 61.300 -0.206 0.000 1.334 172 I CB -0.166 37.720 38.000 -0.190 0.000 1.040 172 I HN 0.267 nan 8.210 nan 0.000 0.405 173 I N 0.666 121.074 120.570 -0.269 0.000 2.394 173 I HA -0.212 3.972 4.170 0.024 0.000 0.251 173 I C 2.558 178.541 176.117 -0.223 0.000 1.136 173 I CA 1.316 62.455 61.300 -0.268 0.000 1.425 173 I CB -0.503 37.339 38.000 -0.264 0.000 1.079 173 I HN 0.144 nan 8.210 nan 0.000 0.425 174 A N -0.176 122.487 122.820 -0.262 0.000 1.902 174 A HA -0.225 4.110 4.320 0.024 0.000 0.217 174 A C 2.263 179.717 177.584 -0.216 0.000 1.181 174 A CA 1.756 53.614 52.037 -0.298 0.000 0.623 174 A CB -0.585 18.096 19.000 -0.532 0.000 0.818 174 A HN 0.450 nan 8.150 nan 0.000 0.443 175 E N -0.321 119.742 120.200 -0.228 0.000 2.072 175 E HA -0.057 4.308 4.350 0.024 0.000 0.191 175 E C 2.366 178.999 176.600 0.054 0.000 0.985 175 E CA 0.876 57.294 56.400 0.029 0.000 0.801 175 E CB -0.281 29.436 29.700 0.029 0.000 0.750 175 E HN 0.605 nan 8.360 nan 0.000 0.452 176 A N 1.403 124.195 122.820 -0.047 0.000 1.845 176 A HA -0.189 4.145 4.320 0.024 0.000 0.215 176 A C 2.217 179.828 177.584 0.044 0.000 1.195 176 A CA 1.153 53.167 52.037 -0.039 0.000 0.616 176 A CB -0.866 17.912 19.000 -0.370 0.000 0.832 176 A HN 0.150 nan 8.150 nan 0.000 0.443 177 L N -1.091 120.105 121.223 -0.046 0.000 2.043 177 L HA -0.219 4.136 4.340 0.024 0.000 0.212 177 L C 2.614 179.523 176.870 0.065 0.000 1.075 177 L CA 1.453 56.267 54.840 -0.042 0.000 0.752 177 L CB -0.573 41.369 42.059 -0.196 0.000 0.891 177 L HN 0.477 nan 8.230 nan 0.000 0.432 178 L N 0.128 121.404 121.223 0.088 0.000 2.083 178 L HA -0.181 4.173 4.340 0.024 0.000 0.209 178 L C 2.269 179.270 176.870 0.217 0.000 1.083 178 L CA 1.694 56.632 54.840 0.163 0.000 0.752 178 L CB -0.392 41.769 42.059 0.170 0.000 0.899 178 L HN 0.100 nan 8.230 nan 0.000 0.433 179 I N -0.993 119.689 120.570 0.187 0.000 2.315 179 I HA -0.293 3.892 4.170 0.024 0.000 0.248 179 I C 2.563 178.786 176.117 0.177 0.000 1.117 179 I CA 1.313 62.719 61.300 0.177 0.000 1.404 179 I CB -0.306 37.810 38.000 0.193 0.000 1.071 179 I HN 0.443 nan 8.210 nan 0.000 0.419 180 Q N 0.660 120.579 119.800 0.198 0.000 2.020 180 Q HA -0.234 4.120 4.340 0.024 0.000 0.198 180 Q C 2.303 178.402 176.000 0.165 0.000 0.974 180 Q CA 1.744 57.653 55.803 0.176 0.000 0.829 180 Q CB -0.181 28.659 28.738 0.170 0.000 0.894 180 Q HN 0.468 nan 8.270 nan 0.000 0.433 181 F N 1.363 121.340 119.950 0.044 0.000 2.154 181 F HA -0.218 4.325 4.527 0.026 0.000 0.301 181 F C 1.759 177.592 175.800 0.054 0.000 1.087 181 F CA 1.640 59.663 58.000 0.038 0.000 1.274 181 F CB 0.080 39.091 39.000 0.018 0.000 1.009 181 F HN -0.050 nan 8.300 nan 0.000 0.485 182 K N -0.480 119.957 120.400 0.061 0.000 2.217 182 K HA -0.165 4.169 4.320 0.024 0.000 0.202 182 K C 1.906 178.474 176.600 -0.054 0.000 1.051 182 K CA 1.019 57.286 56.287 -0.034 0.000 0.952 182 K CB -0.185 32.375 32.500 0.099 0.000 0.736 182 K HN 0.238 nan 8.250 nan 0.000 0.453 183 Q N -0.400 119.408 119.800 0.013 0.000 2.472 183 Q HA -0.001 4.353 4.340 0.024 0.000 0.208 183 Q C 0.787 176.812 176.000 0.040 0.000 0.958 183 Q CA 1.010 56.851 55.803 0.064 0.000 0.932 183 Q CB 0.463 29.289 28.738 0.147 0.000 1.007 183 Q HN 0.450 nan 8.270 nan 0.000 0.508 184 G N -0.882 107.876 108.800 -0.070 0.000 2.176 184 G HA2 -0.205 3.769 3.960 0.024 0.000 0.232 184 G HA3 -0.205 3.769 3.960 0.024 0.000 0.232 184 G C -0.565 174.327 174.900 -0.013 0.000 0.986 184 G CA 0.132 45.177 45.100 -0.091 0.000 0.643 184 G HN 0.173 nan 8.290 nan 0.000 0.522 185 L N 2.759 124.003 121.223 0.036 0.000 2.387 185 L HA 0.437 4.792 4.340 0.024 0.000 0.267 185 L C 0.608 177.524 176.870 0.077 0.000 1.197 185 L CA 0.252 55.134 54.840 0.069 0.000 1.070 185 L CB 0.607 42.712 42.059 0.077 0.000 1.349 185 L HN 0.390 nan 8.230 nan 0.000 0.422 186 D N -0.457 119.986 120.400 0.072 0.000 2.623 186 D HA 0.135 4.790 4.640 0.024 0.000 0.252 186 D C 0.640 177.000 176.300 0.100 0.000 1.294 186 D CA -0.328 53.750 54.000 0.131 0.000 0.824 186 D CB 0.353 41.239 40.800 0.144 0.000 1.070 186 D HN 0.190 nan 8.370 nan 0.000 0.487 187 R N -0.550 119.987 120.500 0.062 0.000 2.606 187 R HA 0.480 4.834 4.340 0.024 0.000 0.249 187 R C 1.350 177.654 176.300 0.007 0.000 1.127 187 R CA -0.762 55.356 56.100 0.031 0.000 1.133 187 R CB 1.036 31.351 30.300 0.025 0.000 1.243 187 R HN -0.027 nan 8.270 nan 0.000 0.558 188 M N 0.402 119.988 119.600 -0.024 0.000 2.117 188 M HA -0.084 4.410 4.480 0.024 0.000 0.262 188 M C 0.351 176.688 176.300 0.061 0.000 1.065 188 M CA 1.685 56.957 55.300 -0.047 0.000 1.114 188 M CB 0.220 32.812 32.600 -0.014 0.000 1.361 188 M HN 0.720 nan 8.290 nan 0.000 0.408 189 T N -3.869 110.727 114.554 0.070 0.000 2.930 189 T HA 0.689 5.053 4.350 0.024 0.000 0.290 189 T C 0.711 175.440 174.700 0.049 0.000 1.052 189 T CA -0.505 61.648 62.100 0.088 0.000 1.017 189 T CB 1.583 70.522 68.868 0.118 0.000 1.137 189 T HN 0.164 nan 8.240 nan 0.000 0.511 190 A N 1.146 123.988 122.820 0.037 0.000 1.940 190 A HA 0.138 4.472 4.320 0.024 0.000 0.219 190 A C 2.337 179.922 177.584 0.001 0.000 1.176 190 A CA 2.098 54.146 52.037 0.018 0.000 0.631 190 A CB -1.660 17.341 19.000 0.002 0.000 0.814 190 A HN 1.169 nan 8.150 nan 0.000 0.446 191 G N -0.588 108.206 108.800 -0.010 0.000 2.418 191 G HA2 -0.145 3.830 3.960 0.024 0.000 0.217 191 G HA3 -0.145 3.830 3.960 0.024 0.000 0.217 191 G C 1.811 176.685 174.900 -0.043 0.000 1.158 191 G CA 1.313 46.388 45.100 -0.042 0.000 0.771 191 G HN 0.526 nan 8.290 nan 0.000 0.545 192 S N 1.143 116.828 115.700 -0.025 0.000 2.370 192 S HA -0.130 4.354 4.470 0.024 0.000 0.226 192 S C 1.954 176.553 174.600 -0.001 0.000 1.033 192 S CA 1.418 59.601 58.200 -0.028 0.000 1.011 192 S CB -0.324 62.867 63.200 -0.015 0.000 0.852 192 S HN 0.363 nan 8.310 nan 0.000 0.457 193 D N 1.562 121.975 120.400 0.023 0.000 2.092 193 D HA -0.060 4.594 4.640 0.024 0.000 0.193 193 D C 2.231 178.591 176.300 0.099 0.000 0.994 193 D CA 1.246 55.280 54.000 0.056 0.000 0.828 193 D CB -0.541 40.285 40.800 0.044 0.000 0.963 193 D HN 0.281 nan 8.370 nan 0.000 0.450 194 S N 0.534 116.279 115.700 0.075 0.000 2.365 194 S HA -0.169 4.315 4.470 0.024 0.000 0.225 194 S C 1.867 176.514 174.600 0.079 0.000 1.039 194 S CA 0.588 58.870 58.200 0.136 0.000 1.033 194 S CB -0.352 62.879 63.200 0.051 0.000 0.887 194 S HN 0.149 nan 8.310 nan 0.000 0.447 195 L N 1.946 123.165 121.223 -0.006 0.000 1.994 195 L HA -0.047 4.308 4.340 0.024 0.000 0.208 195 L C 2.179 179.063 176.870 0.023 0.000 1.071 195 L CA 1.934 56.747 54.840 -0.044 0.000 0.745 195 L CB -0.752 41.218 42.059 -0.149 0.000 0.892 195 L HN 0.070 nan 8.230 nan 0.000 0.431 196 K N -0.185 120.223 120.400 0.013 0.000 2.063 196 K HA -0.075 4.259 4.320 0.024 0.000 0.208 196 K C 1.983 178.658 176.600 0.126 0.000 1.048 196 K CA 1.640 57.940 56.287 0.022 0.000 0.928 196 K CB -1.129 31.387 32.500 0.026 0.000 0.713 196 K HN 0.428 nan 8.250 nan 0.000 0.442 197 G N -0.185 108.770 108.800 0.259 0.000 2.421 197 G HA2 -0.268 3.706 3.960 0.024 0.000 0.216 197 G HA3 -0.268 3.706 3.960 0.024 0.000 0.216 197 G C 1.512 176.746 174.900 0.557 0.000 1.171 197 G CA 0.828 46.211 45.100 0.472 0.000 0.775 197 G HN 0.391 nan 8.290 nan 0.000 0.543 198 F N 1.462 121.564 119.950 0.253 0.000 2.102 198 F HA 0.025 4.566 4.527 0.023 0.000 0.298 198 F C 2.552 178.462 175.800 0.185 0.000 1.105 198 F CA 2.015 60.074 58.000 0.098 0.000 1.239 198 F CB -0.258 38.606 39.000 -0.227 0.000 0.991 198 F HN 0.100 nan 8.300 nan 0.000 0.474 199 K N -0.027 120.349 120.400 -0.041 0.000 2.103 199 K HA -0.202 4.133 4.320 0.024 0.000 0.207 199 K C 1.675 178.208 176.600 -0.112 0.000 1.048 199 K CA 1.868 58.039 56.287 -0.193 0.000 0.930 199 K CB -0.266 32.056 32.500 -0.296 0.000 0.716 199 K HN 0.241 nan 8.250 nan 0.000 0.444 200 D N 0.440 120.835 120.400 -0.009 0.000 2.144 200 D HA -0.116 4.539 4.640 0.024 0.000 0.200 200 D C 1.740 178.050 176.300 0.017 0.000 0.978 200 D CA 0.831 54.844 54.000 0.020 0.000 0.833 200 D CB 0.068 40.913 40.800 0.075 0.000 0.961 200 D HN 0.206 nan 8.370 nan 0.000 0.470 201 I N 0.734 121.333 120.570 0.048 0.000 2.286 201 I HA -0.131 4.053 4.170 0.024 0.000 0.245 201 I C 2.157 178.249 176.117 -0.043 0.000 1.104 201 I CA 0.892 62.223 61.300 0.051 0.000 1.397 201 I CB -0.284 37.834 38.000 0.197 0.000 1.072 201 I HN 0.065 nan 8.210 nan 0.000 0.417 202 I N -1.063 119.406 120.570 -0.168 0.000 3.728 202 I HA 0.129 4.313 4.170 0.024 0.000 0.307 202 I C 0.536 176.594 176.117 -0.099 0.000 1.276 202 I CA 0.269 61.470 61.300 -0.164 0.000 1.285 202 I CB -0.231 37.606 38.000 -0.271 0.000 1.038 202 I HN 0.327 nan 8.210 nan 0.000 0.445 203 T N -1.393 113.116 114.554 -0.075 0.000 0.542 203 T HA -0.189 4.175 4.350 0.024 0.000 0.774 203 T C 0.700 175.402 174.700 0.003 0.000 0.992 203 T CA 0.355 62.434 62.100 -0.035 0.000 4.076 203 T CB -1.528 67.324 68.868 -0.028 0.000 2.302 203 T HN 0.694 nan 8.240 nan 0.000 0.398 204 T N 0.066 114.620 114.554 -0.001 0.000 2.867 204 T HA -0.099 4.265 4.350 0.024 0.000 0.268 204 T C 1.751 176.512 174.700 0.102 0.000 1.057 204 T CA 1.652 63.770 62.100 0.031 0.000 1.136 204 T CB -0.246 68.605 68.868 -0.028 0.000 0.874 204 T HN 1.017 nan 8.240 nan 0.000 0.466 205 K N 1.173 121.603 120.400 0.049 0.000 2.026 205 K HA -0.116 4.218 4.320 0.024 0.000 0.208 205 K C 2.418 179.038 176.600 0.033 0.000 1.048 205 K CA 1.245 57.556 56.287 0.040 0.000 0.929 205 K CB -0.138 32.369 32.500 0.011 0.000 0.713 205 K HN 0.313 nan 8.250 nan 0.000 0.439 206 K N -0.214 120.189 120.400 0.006 0.000 2.103 206 K HA -0.125 4.210 4.320 0.024 0.000 0.204 206 K C 2.043 178.601 176.600 -0.070 0.000 1.052 206 K CA 1.164 57.418 56.287 -0.055 0.000 0.945 206 K CB -0.261 32.181 32.500 -0.096 0.000 0.722 206 K HN 0.141 nan 8.250 nan 0.000 0.443 207 F N 2.765 122.651 119.950 -0.106 0.000 2.043 207 F HA -0.317 4.225 4.527 0.024 0.000 0.297 207 F C 2.106 177.915 175.800 0.016 0.000 1.118 207 F CA 1.795 59.790 58.000 -0.010 0.000 1.202 207 F CB -0.027 39.020 39.000 0.077 0.000 0.965 207 F HN -0.122 nan 8.300 nan 0.000 0.482 208 K N -0.080 120.503 120.400 0.305 0.000 2.074 208 K HA -0.277 4.057 4.320 0.024 0.000 0.209 208 K C 2.166 178.782 176.600 0.026 0.000 1.048 208 K CA 1.989 58.392 56.287 0.194 0.000 0.926 208 K CB -0.296 32.301 32.500 0.162 0.000 0.713 208 K HN 0.271 nan 8.250 nan 0.000 0.444 209 K N 0.626 121.004 120.400 -0.037 0.000 2.155 209 K HA -0.055 4.279 4.320 0.024 0.000 0.203 209 K C 1.794 178.296 176.600 -0.162 0.000 1.052 209 K CA 0.647 56.892 56.287 -0.071 0.000 0.948 209 K CB 0.323 32.787 32.500 -0.060 0.000 0.728 209 K HN -0.083 nan 8.250 nan 0.000 0.448 210 V N 0.395 120.092 119.914 -0.363 0.000 2.725 210 V HA 0.012 4.147 4.120 0.024 0.000 0.247 210 V C 0.239 175.807 176.094 -0.876 0.000 1.058 210 V CA 0.922 62.852 62.300 -0.617 0.000 1.080 210 V CB -0.064 31.171 31.823 -0.981 0.000 0.713 210 V HN 0.138 nan 8.190 nan 0.000 0.465 211 F N 2.023 121.694 119.950 -0.465 0.000 2.564 211 F HA 0.438 4.979 4.527 0.024 0.000 0.361 211 F C -2.431 173.239 175.800 -0.216 0.000 1.161 211 F CA -2.257 55.340 58.000 -0.671 0.000 1.198 211 F CB 0.905 39.399 39.000 -0.843 0.000 1.424 211 F HN 0.054 nan 8.300 nan 0.000 0.517 212 P HA 0.122 nan 4.420 nan 0.000 0.277 212 P C -0.152 177.301 177.300 0.255 0.000 1.240 212 P CA -0.325 62.872 63.100 0.161 0.000 0.798 212 P CB 1.095 32.867 31.700 0.121 0.000 0.979 213 T N 3.067 117.741 114.554 0.200 0.000 2.761 213 T HA 0.179 4.543 4.350 0.024 0.000 0.287 213 T C 0.665 175.455 174.700 0.150 0.000 0.931 213 T CA 0.105 62.313 62.100 0.181 0.000 1.164 213 T CB -0.669 68.278 68.868 0.131 0.000 0.876 213 T HN 0.168 nan 8.240 nan 0.000 0.534 214 L N 3.011 124.328 121.223 0.157 0.000 2.464 214 L HA 0.279 4.633 4.340 0.024 0.000 0.264 214 L C 1.335 178.238 176.870 0.056 0.000 1.199 214 L CA -0.748 54.154 54.840 0.104 0.000 0.818 214 L CB 0.371 42.485 42.059 0.090 0.000 1.102 214 L HN 0.656 nan 8.230 nan 0.000 0.473 215 S N 0.868 116.588 115.700 0.033 0.000 2.584 215 S HA 0.168 4.652 4.470 0.024 0.000 0.270 215 S C 1.156 175.747 174.600 -0.014 0.000 1.346 215 S CA -0.718 57.489 58.200 0.011 0.000 1.018 215 S CB 0.652 63.856 63.200 0.006 0.000 0.899 215 S HN 0.539 nan 8.310 nan 0.000 0.542 216 L N 1.758 122.968 121.223 -0.022 0.000 2.042 216 L HA -0.037 4.317 4.340 0.024 0.000 0.210 216 L C 2.883 179.707 176.870 -0.077 0.000 1.076 216 L CA 1.553 56.364 54.840 -0.048 0.000 0.749 216 L CB -1.568 40.468 42.059 -0.040 0.000 0.893 216 L HN 0.975 nan 8.230 nan 0.000 0.432 217 G N 0.432 109.197 108.800 -0.058 0.000 2.459 217 G HA2 -0.242 3.732 3.960 0.024 0.000 0.217 217 G HA3 -0.242 3.732 3.960 0.024 0.000 0.217 217 G C 1.660 176.499 174.900 -0.101 0.000 1.183 217 G CA 0.690 45.748 45.100 -0.070 0.000 0.776 217 G HN 0.208 nan 8.290 nan 0.000 0.552 218 L N 0.138 121.319 121.223 -0.069 0.000 2.042 218 L HA -0.079 4.275 4.340 0.024 0.000 0.210 218 L C 2.541 179.341 176.870 -0.116 0.000 1.076 218 L CA 1.677 56.475 54.840 -0.069 0.000 0.749 218 L CB -0.288 41.758 42.059 -0.022 0.000 0.893 218 L HN 0.234 nan 8.230 nan 0.000 0.432 219 D N -0.513 119.816 120.400 -0.117 0.000 2.183 219 D HA -0.194 4.460 4.640 0.024 0.000 0.203 219 D C 2.149 178.285 176.300 -0.274 0.000 0.969 219 D CA 0.843 54.750 54.000 -0.155 0.000 0.842 219 D CB 0.208 40.942 40.800 -0.110 0.000 0.957 219 D HN -0.035 nan 8.370 nan 0.000 0.484 220 K N 0.527 120.740 120.400 -0.313 0.000 2.032 220 K HA -0.164 4.171 4.320 0.024 0.000 0.209 220 K C 1.957 178.010 176.600 -0.911 0.000 1.048 220 K CA 1.412 57.393 56.287 -0.510 0.000 0.927 220 K CB -0.013 32.256 32.500 -0.385 0.000 0.712 220 K HN 0.191 nan 8.250 nan 0.000 0.441 221 E N -0.547 119.233 120.200 -0.700 0.000 2.031 221 E HA -0.174 4.190 4.350 0.024 0.000 0.193 221 E C 1.945 178.096 176.600 -0.747 0.000 0.994 221 E CA 1.564 57.443 56.400 -0.868 0.000 0.800 221 E CB -0.058 29.321 29.700 -0.535 0.000 0.752 221 E HN 0.058 nan 8.360 nan 0.000 0.447 222 V N 1.366 121.055 119.914 -0.375 0.000 2.380 222 V HA -0.296 3.839 4.120 0.024 0.000 0.251 222 V C 2.429 178.397 176.094 -0.211 0.000 1.063 222 V CA 2.115 64.316 62.300 -0.166 0.000 1.055 222 V CB -0.575 31.209 31.823 -0.065 0.000 0.657 222 V HN 0.233 nan 8.190 nan 0.000 0.455 223 R N -0.838 119.453 120.500 -0.348 0.000 2.152 223 R HA -0.170 4.184 4.340 0.024 0.000 0.232 223 R C 2.234 178.439 176.300 -0.158 0.000 1.117 223 R CA 1.562 57.505 56.100 -0.261 0.000 0.981 223 R CB -0.410 29.699 30.300 -0.318 0.000 0.870 223 R HN 0.617 nan 8.270 nan 0.000 0.451 224 Y N -0.552 119.597 120.300 -0.252 0.000 2.403 224 Y HA -0.128 4.437 4.550 0.024 0.000 0.291 224 Y C 2.082 177.961 175.900 -0.036 0.000 1.143 224 Y CA 0.363 58.322 58.100 -0.235 0.000 1.257 224 Y CB 0.064 38.139 38.460 -0.641 0.000 0.984 224 Y HN 0.237 nan 8.280 nan 0.000 0.550 225 A N -1.422 121.483 122.820 0.142 0.000 2.307 225 A HA 0.014 4.349 4.320 0.024 0.000 0.218 225 A C -0.370 177.279 177.584 0.109 0.000 1.228 225 A CA -0.132 51.993 52.037 0.147 0.000 0.857 225 A CB -0.643 18.439 19.000 0.137 0.000 0.897 225 A HN 0.388 nan 8.150 nan 0.000 0.495 226 Y N 1.305 121.596 120.300 -0.016 0.000 2.454 226 Y HA 0.594 5.158 4.550 0.024 0.000 0.345 226 Y C 0.090 176.002 175.900 0.020 0.000 0.970 226 Y CA -1.167 56.923 58.100 -0.016 0.000 1.204 226 Y CB 0.109 38.554 38.460 -0.025 0.000 1.122 226 Y HN 0.236 nan 8.280 nan 0.000 0.514 227 R N 2.869 123.193 120.500 -0.294 0.000 2.854 227 R HA 0.698 5.052 4.340 0.024 0.000 0.271 227 R C 0.284 176.392 176.300 -0.319 0.000 0.996 227 R CA -0.692 55.259 56.100 -0.248 0.000 0.961 227 R CB 1.503 31.762 30.300 -0.067 0.000 1.182 227 R HN 0.796 nan 8.270 nan 0.000 0.479 228 G N -0.338 108.365 108.800 -0.162 0.000 2.509 228 G HA2 0.427 4.401 3.960 0.024 0.000 0.269 228 G HA3 0.427 4.401 3.960 0.024 0.000 0.269 228 G C -0.208 174.752 174.900 0.101 0.000 1.416 228 G CA -0.548 44.530 45.100 -0.037 0.000 1.052 228 G HN 0.559 nan 8.290 nan 0.000 0.542 229 G N -1.580 107.327 108.800 0.177 0.000 2.634 229 G HA2 0.379 4.353 3.960 0.024 0.000 0.255 229 G HA3 0.379 4.353 3.960 0.024 0.000 0.255 229 G C -0.922 174.148 174.900 0.283 0.000 1.205 229 G CA -0.506 44.731 45.100 0.228 0.000 0.884 229 G HN 0.352 nan 8.290 nan 0.000 0.549 230 F N 1.302 121.314 119.950 0.103 0.000 2.413 230 F HA 0.475 5.016 4.527 0.024 0.000 0.359 230 F C 0.197 176.026 175.800 0.048 0.000 1.122 230 F CA -0.573 57.465 58.000 0.063 0.000 1.160 230 F CB 0.704 39.675 39.000 -0.048 0.000 1.146 230 F HN 0.202 nan 8.300 nan 0.000 0.514 231 T N 6.316 120.694 114.554 -0.292 0.000 2.906 231 T HA 0.297 4.661 4.350 0.024 0.000 0.302 231 T C -1.760 172.755 174.700 -0.307 0.000 1.002 231 T CA -0.426 61.487 62.100 -0.310 0.000 0.988 231 T CB 0.418 69.269 68.868 -0.028 0.000 0.972 231 T HN 0.627 nan 8.240 nan 0.000 0.447 232 W N 4.954 125.776 121.300 -0.796 0.000 3.274 232 W HA 0.704 5.378 4.660 0.024 0.000 0.327 232 W C -2.680 173.635 176.519 -0.340 0.000 1.172 232 W CA -1.199 55.814 57.345 -0.552 0.000 1.217 232 W CB 1.118 30.020 29.460 -0.930 0.000 1.376 232 W HN 0.499 nan 8.180 nan 0.000 0.507 233 L N 6.271 127.042 121.223 -0.754 0.000 2.322 233 L HA 0.478 4.832 4.340 0.024 0.000 0.281 233 L C -0.363 175.765 176.870 -1.237 0.000 1.014 233 L CA -0.521 53.895 54.840 -0.707 0.000 0.815 233 L CB 1.211 43.184 42.059 -0.143 0.000 1.247 233 L HN 0.528 nan 8.230 nan 0.000 0.421 234 N N 3.138 121.142 118.700 -1.160 0.000 2.431 234 N HA -0.025 4.729 4.740 0.024 0.000 0.265 234 N C 0.561 175.932 175.510 -0.232 0.000 1.184 234 N CA 0.216 52.808 53.050 -0.763 0.000 0.943 234 N CB 0.656 38.937 38.487 -0.343 0.000 1.080 234 N HN 0.623 nan 8.380 nan 0.000 0.477 235 D N 2.880 123.240 120.400 -0.066 0.000 2.172 235 D HA -0.224 4.431 4.640 0.024 0.000 0.196 235 D C 1.539 177.794 176.300 -0.074 0.000 0.999 235 D CA 0.965 54.960 54.000 -0.008 0.000 0.856 235 D CB 0.142 40.992 40.800 0.083 0.000 0.934 235 D HN 0.628 nan 8.370 nan 0.000 0.453 236 R N -0.494 119.913 120.500 -0.154 0.000 2.154 236 R HA -0.173 4.181 4.340 0.024 0.000 0.248 236 R C 1.374 177.350 176.300 -0.541 0.000 1.155 236 R CA 1.259 57.127 56.100 -0.387 0.000 0.979 236 R CB -0.179 29.775 30.300 -0.577 0.000 0.869 236 R HN 0.210 nan 8.270 nan 0.000 0.452 237 F N -0.178 119.712 119.950 -0.100 0.000 2.661 237 F HA 0.263 4.804 4.527 0.024 0.000 0.306 237 F C 0.351 176.117 175.800 -0.057 0.000 1.094 237 F CA -0.585 57.363 58.000 -0.087 0.000 1.254 237 F CB 0.492 39.393 39.000 -0.165 0.000 1.040 237 F HN -0.222 nan 8.300 nan 0.000 0.562 238 K N 2.125 122.562 120.400 0.061 0.000 2.436 238 K HA -0.048 4.286 4.320 0.024 0.000 0.282 238 K C 0.488 177.119 176.600 0.052 0.000 1.044 238 K CA 0.612 56.926 56.287 0.045 0.000 1.028 238 K CB 0.089 32.596 32.500 0.011 0.000 0.919 238 K HN 0.372 nan 8.250 nan 0.000 0.474 239 E N 0.757 120.990 120.200 0.054 0.000 3.170 239 E HA -0.269 4.096 4.350 0.024 0.000 0.284 239 E C -0.845 175.793 176.600 0.063 0.000 0.967 239 E CA 0.831 57.247 56.400 0.027 0.000 0.919 239 E CB -0.713 28.986 29.700 -0.001 0.000 1.469 239 E HN 0.470 nan 8.360 nan 0.000 0.444 240 K N 1.109 121.581 120.400 0.119 0.000 2.244 240 K HA 0.281 4.615 4.320 0.024 0.000 0.260 240 K C -0.579 176.139 176.600 0.198 0.000 0.951 240 K CA -0.396 55.978 56.287 0.144 0.000 0.826 240 K CB 1.358 33.947 32.500 0.150 0.000 1.108 240 K HN 0.044 nan 8.250 nan 0.000 0.433 241 E N 5.117 125.429 120.200 0.186 0.000 2.223 241 E HA 0.160 4.524 4.350 0.024 0.000 0.282 241 E C -0.382 176.357 176.600 0.231 0.000 1.046 241 E CA -0.373 56.166 56.400 0.233 0.000 0.857 241 E CB 0.512 30.356 29.700 0.241 0.000 1.055 241 E HN 0.519 nan 8.360 nan 0.000 0.409 242 I N 0.692 121.418 120.570 0.260 0.000 3.170 242 I HA 0.741 4.925 4.170 0.024 0.000 0.312 242 I C 0.389 176.642 176.117 0.227 0.000 1.085 242 I CA -0.918 60.527 61.300 0.242 0.000 0.999 242 I CB 1.663 39.812 38.000 0.248 0.000 1.233 242 I HN 0.553 nan 8.210 nan 0.000 0.467 243 G N 1.387 110.302 108.800 0.191 0.000 2.882 243 G HA2 0.290 4.264 3.960 0.024 0.000 0.164 243 G HA3 0.290 4.264 3.960 0.024 0.000 0.164 243 G C -0.465 174.544 174.900 0.181 0.000 1.429 243 G CA -0.617 44.575 45.100 0.154 0.000 1.059 243 G HN 0.783 nan 8.290 nan 0.000 0.581 244 E N -0.281 119.967 120.200 0.080 0.000 2.442 244 E HA 0.420 4.784 4.350 0.024 0.000 0.262 244 E C 0.253 176.715 176.600 -0.231 0.000 1.004 244 E CA 0.578 56.962 56.400 -0.026 0.000 0.928 244 E CB 0.793 30.496 29.700 0.005 0.000 0.937 244 E HN 0.582 nan 8.360 nan 0.000 0.446 245 G N 1.570 109.901 108.800 -0.781 0.000 2.600 245 G HA2 0.592 4.566 3.960 0.024 0.000 0.293 245 G HA3 0.592 4.566 3.960 0.024 0.000 0.293 245 G C -1.177 172.954 174.900 -1.282 0.000 1.408 245 G CA -0.841 43.614 45.100 -1.074 0.000 0.782 245 G HN 0.457 nan 8.290 nan 0.000 0.482 246 M N -1.164 117.986 119.600 -0.750 0.000 2.618 246 M HA 0.828 5.322 4.480 0.024 0.000 0.281 246 M C -1.693 174.457 176.300 -0.250 0.000 1.267 246 M CA -1.086 53.949 55.300 -0.441 0.000 0.845 246 M CB 2.299 34.630 32.600 -0.449 0.000 1.732 246 M HN 0.337 nan 8.290 nan 0.000 0.461 247 V N 1.881 121.652 119.914 -0.240 0.000 2.531 247 V HA 0.576 4.710 4.120 0.024 0.000 0.301 247 V C -1.394 174.584 176.094 -0.194 0.000 1.034 247 V CA -0.340 61.840 62.300 -0.200 0.000 0.865 247 V CB 1.730 33.395 31.823 -0.263 0.000 0.995 247 V HN 0.714 nan 8.190 nan 0.000 0.424 248 F N 2.156 122.189 119.950 0.139 0.000 2.436 248 F HA 0.620 5.162 4.527 0.024 0.000 0.340 248 F C 0.118 176.197 175.800 0.464 0.000 1.113 248 F CA -0.498 57.672 58.000 0.284 0.000 1.022 248 F CB 1.584 40.694 39.000 0.182 0.000 1.128 248 F HN 0.399 nan 8.300 nan 0.000 0.466 249 D N 1.784 122.531 120.400 0.578 0.000 2.505 249 D HA 0.412 5.066 4.640 0.024 0.000 0.249 249 D C -0.689 175.755 176.300 0.240 0.000 1.082 249 D CA -0.281 53.962 54.000 0.404 0.000 0.839 249 D CB 2.220 43.160 40.800 0.233 0.000 1.317 249 D HN 0.084 nan 8.370 nan 0.000 0.497 250 V N 2.848 122.671 119.914 -0.152 0.000 2.740 250 V HA 0.052 4.186 4.120 0.024 0.000 0.303 250 V C 0.526 176.518 176.094 -0.170 0.000 1.054 250 V CA -0.353 61.665 62.300 -0.470 0.000 1.106 250 V CB 0.282 31.620 31.823 -0.808 0.000 0.957 250 V HN 0.435 nan 8.190 nan 0.000 0.486 251 N N 3.039 121.670 118.700 -0.115 0.000 2.402 251 N HA 0.144 4.898 4.740 0.024 0.000 0.252 251 N C 0.267 175.743 175.510 -0.058 0.000 1.118 251 N CA 0.118 53.142 53.050 -0.043 0.000 0.945 251 N CB 0.813 39.293 38.487 -0.012 0.000 1.147 251 N HN 0.810 nan 8.380 nan 0.000 0.495 252 S N 0.885 116.565 115.700 -0.034 0.000 3.527 252 S HA -0.174 4.310 4.470 0.024 0.000 0.409 252 S C 1.221 175.791 174.600 -0.050 0.000 0.900 252 S CA -0.042 58.153 58.200 -0.009 0.000 1.320 252 S CB -1.055 62.156 63.200 0.018 0.000 0.915 252 S HN 0.582 nan 8.310 nan 0.000 0.575 253 L N 1.530 122.669 121.223 -0.139 0.000 1.997 253 L HA -0.159 4.195 4.340 0.024 0.000 0.216 253 L C 1.775 178.524 176.870 -0.202 0.000 1.074 253 L CA 2.218 56.899 54.840 -0.265 0.000 0.763 253 L CB -0.672 41.108 42.059 -0.465 0.000 0.890 253 L HN 0.705 nan 8.230 nan 0.000 0.434 254 Y N -0.601 119.670 120.300 -0.049 0.000 2.153 254 Y HA -0.094 4.470 4.550 0.024 0.000 0.289 254 Y C -0.112 175.749 175.900 -0.066 0.000 1.127 254 Y CA 1.189 59.222 58.100 -0.112 0.000 1.131 254 Y CB -1.740 36.606 38.460 -0.190 0.000 0.995 254 Y HN 0.256 nan 8.280 nan 0.000 0.505 255 P HA -0.255 nan 4.420 nan 0.000 0.216 255 P C 1.372 178.743 177.300 0.117 0.000 1.153 255 P CA 2.303 65.478 63.100 0.125 0.000 0.858 255 P CB -0.215 31.568 31.700 0.138 0.000 0.789 256 A N -0.137 122.724 122.820 0.068 0.000 1.903 256 A HA -0.299 4.035 4.320 0.024 0.000 0.219 256 A C 2.252 179.890 177.584 0.091 0.000 1.191 256 A CA 1.971 54.046 52.037 0.064 0.000 0.638 256 A CB -1.405 17.594 19.000 -0.001 0.000 0.823 256 A HN 0.142 nan 8.150 nan 0.000 0.451 257 Q N -0.688 119.147 119.800 0.060 0.000 2.084 257 Q HA -0.084 4.270 4.340 0.024 0.000 0.202 257 Q C 2.118 178.141 176.000 0.039 0.000 0.978 257 Q CA 1.668 57.497 55.803 0.043 0.000 0.844 257 Q CB -0.581 28.227 28.738 0.117 0.000 0.898 257 Q HN 0.806 nan 8.270 nan 0.000 0.426 258 M N -1.115 118.517 119.600 0.053 0.000 2.374 258 M HA -0.142 4.352 4.480 0.024 0.000 0.264 258 M C 1.695 178.138 176.300 0.238 0.000 1.067 258 M CA 1.148 56.474 55.300 0.042 0.000 1.103 258 M CB -0.207 32.234 32.600 -0.264 0.000 1.402 258 M HN 0.132 nan 8.290 nan 0.000 0.444 259 Y N -0.236 120.121 120.300 0.094 0.000 2.347 259 Y HA -0.082 4.482 4.550 0.024 0.000 0.294 259 Y C 2.184 178.122 175.900 0.064 0.000 1.117 259 Y CA 1.383 59.554 58.100 0.118 0.000 1.184 259 Y CB 0.451 38.972 38.460 0.101 0.000 1.047 259 Y HN 0.105 nan 8.280 nan 0.000 0.546 260 S N -0.774 114.983 115.700 0.095 0.000 2.564 260 S HA 0.216 4.700 4.470 0.024 0.000 0.231 260 S C 0.396 174.901 174.600 -0.158 0.000 1.067 260 S CA -0.383 57.805 58.200 -0.020 0.000 0.908 260 S CB 0.225 63.443 63.200 0.030 0.000 0.809 260 S HN 0.041 nan 8.310 nan 0.000 0.491 261 R N 1.454 121.801 120.500 -0.255 0.000 2.615 261 R HA 0.314 4.668 4.340 0.024 0.000 0.270 261 R C -0.445 175.659 176.300 -0.326 0.000 1.081 261 R CA -0.743 55.011 56.100 -0.576 0.000 1.154 261 R CB -0.009 29.660 30.300 -1.052 0.000 1.063 261 R HN 0.162 nan 8.270 nan 0.000 0.519 262 L N 2.890 123.930 121.223 -0.304 0.000 2.325 262 L HA 0.266 4.621 4.340 0.024 0.000 0.284 262 L C -0.656 176.282 176.870 0.113 0.000 1.089 262 L CA 0.413 55.243 54.840 -0.017 0.000 0.836 262 L CB -0.151 41.960 42.059 0.085 0.000 1.184 262 L HN 0.377 nan 8.230 nan 0.000 0.444 263 L N 7.282 128.551 121.223 0.075 0.000 2.341 263 L HA 0.674 5.029 4.340 0.024 0.000 0.267 263 L C -2.176 174.709 176.870 0.026 0.000 1.009 263 L CA -1.884 53.003 54.840 0.079 0.000 0.819 263 L CB 2.304 44.466 42.059 0.171 0.000 1.323 263 L HN 0.480 nan 8.230 nan 0.000 0.425 264 P HA 0.265 nan 4.420 nan 0.000 0.276 264 P C -1.800 175.709 177.300 0.348 0.000 1.244 264 P CA -0.107 62.972 63.100 -0.035 0.000 0.801 264 P CB 1.071 32.475 31.700 -0.493 0.000 1.006 265 Y N -2.346 118.071 120.300 0.196 0.000 2.689 265 Y HA 0.600 5.164 4.550 0.024 0.000 0.333 265 Y C -0.069 175.922 175.900 0.152 0.000 1.208 265 Y CA -0.431 57.727 58.100 0.098 0.000 1.055 265 Y CB 0.522 38.877 38.460 -0.175 0.000 1.304 265 Y HN 0.936 nan 8.280 nan 0.000 0.455 266 G N 1.289 110.007 108.800 -0.136 0.000 2.782 266 G HA2 -0.108 3.866 3.960 0.024 0.000 0.228 266 G HA3 -0.108 3.866 3.960 0.024 0.000 0.228 266 G C -1.108 173.897 174.900 0.175 0.000 1.372 266 G CA -0.337 44.692 45.100 -0.119 0.000 0.862 266 G HN 0.874 nan 8.290 nan 0.000 0.547 267 E N 1.693 121.964 120.200 0.117 0.000 2.376 267 E HA 0.266 4.630 4.350 0.024 0.000 0.266 267 E C -1.672 175.015 176.600 0.144 0.000 1.009 267 E CA -0.833 55.662 56.400 0.159 0.000 0.902 267 E CB 1.044 30.802 29.700 0.096 0.000 0.972 267 E HN 0.408 nan 8.360 nan 0.000 0.439 268 P HA 0.266 nan 4.420 nan 0.000 0.276 268 P C -0.173 177.018 177.300 -0.182 0.000 1.244 268 P CA -0.233 62.706 63.100 -0.270 0.000 0.801 268 P CB 0.942 32.298 31.700 -0.572 0.000 1.006 269 I N 1.494 121.911 120.570 -0.256 0.000 2.339 269 I HA 0.181 4.365 4.170 0.024 0.000 0.290 269 I C 0.161 176.209 176.117 -0.116 0.000 0.994 269 I CA -1.131 60.045 61.300 -0.207 0.000 1.191 269 I CB 1.793 39.566 38.000 -0.378 0.000 1.343 269 I HN -0.006 nan 8.210 nan 0.000 0.458 270 V N 7.588 127.448 119.914 -0.090 0.000 2.555 270 V HA 0.206 4.340 4.120 0.024 0.000 0.286 270 V C -0.182 175.911 176.094 -0.002 0.000 1.044 270 V CA -0.025 62.215 62.300 -0.100 0.000 1.026 270 V CB 0.525 32.306 31.823 -0.070 0.000 0.981 270 V HN 0.521 nan 8.190 nan 0.000 0.480 271 F N 2.633 122.588 119.950 0.010 0.000 2.593 271 F HA 0.830 5.371 4.527 0.024 0.000 0.320 271 F C -0.362 175.464 175.800 0.043 0.000 1.060 271 F CA -1.303 56.702 58.000 0.009 0.000 0.940 271 F CB 1.367 40.366 39.000 -0.002 0.000 1.268 271 F HN 0.280 nan 8.300 nan 0.000 0.475 272 E N 1.444 121.811 120.200 0.277 0.000 2.175 272 E HA 0.566 4.930 4.350 0.024 0.000 0.278 272 E C 0.552 177.311 176.600 0.266 0.000 0.969 272 E CA 0.216 56.730 56.400 0.189 0.000 0.796 272 E CB 1.175 30.936 29.700 0.103 0.000 1.104 272 E HN 1.124 nan 8.360 nan 0.000 0.395 273 G N 3.312 112.247 108.800 0.225 0.000 2.488 273 G HA2 -0.278 3.696 3.960 0.024 0.000 0.237 273 G HA3 -0.278 3.696 3.960 0.024 0.000 0.237 273 G C -0.332 174.758 174.900 0.316 0.000 1.209 273 G CA -0.013 45.209 45.100 0.202 0.000 0.929 273 G HN 0.504 nan 8.290 nan 0.000 0.578 274 K N -0.049 120.425 120.400 0.123 0.000 2.201 274 K HA 0.540 4.874 4.320 0.024 0.000 0.278 274 K C 0.013 176.487 176.600 -0.210 0.000 1.027 274 K CA -0.746 55.541 56.287 0.000 0.000 0.909 274 K CB 0.680 32.968 32.500 -0.354 0.000 1.062 274 K HN 0.721 nan 8.250 nan 0.000 0.465 275 Y N 4.172 124.204 120.300 -0.446 0.000 2.721 275 Y HA 0.083 4.648 4.550 0.024 0.000 0.329 275 Y C -0.762 174.791 175.900 -0.578 0.000 1.211 275 Y CA 0.005 57.509 58.100 -0.992 0.000 1.512 275 Y CB 0.433 38.186 38.460 -1.179 0.000 1.249 275 Y HN 0.224 nan 8.280 nan 0.000 0.549 276 V N 8.488 127.725 119.914 -1.129 0.000 2.509 276 V HA -0.035 4.099 4.120 0.024 0.000 0.284 276 V C 0.094 175.472 176.094 -1.193 0.000 1.047 276 V CA -1.141 60.656 62.300 -0.838 0.000 0.952 276 V CB 0.832 32.344 31.823 -0.520 0.000 0.988 276 V HN 0.944 nan 8.190 nan 0.000 0.469 277 W N 5.585 126.432 121.300 -0.755 0.000 2.343 277 W HA 0.059 4.733 4.660 0.024 0.000 0.337 277 W C -0.584 175.756 176.519 -0.297 0.000 1.320 277 W CA 0.361 57.452 57.345 -0.423 0.000 1.290 277 W CB 0.585 29.967 29.460 -0.130 0.000 1.206 277 W HN 0.648 nan 8.180 nan 0.000 0.565 278 D N 5.186 124.943 120.400 -1.071 0.000 2.375 278 D HA -0.006 4.648 4.640 0.024 0.000 0.241 278 D C 1.163 176.829 176.300 -1.057 0.000 1.361 278 D CA -0.242 53.245 54.000 -0.854 0.000 0.995 278 D CB 0.834 41.435 40.800 -0.331 0.000 1.312 278 D HN 0.636 nan 8.370 nan 0.000 0.576 279 E N 2.085 121.637 120.200 -1.081 0.000 2.171 279 E HA -0.236 4.128 4.350 0.024 0.000 0.197 279 E C 0.211 176.662 176.600 -0.249 0.000 0.997 279 E CA 1.017 57.081 56.400 -0.561 0.000 0.810 279 E CB 0.118 29.765 29.700 -0.088 0.000 0.738 279 E HN 0.299 nan 8.360 nan 0.000 0.467 280 D N -0.126 120.169 120.400 -0.175 0.000 2.224 280 D HA -0.089 4.565 4.640 0.024 0.000 0.205 280 D C -0.053 176.101 176.300 -0.243 0.000 0.965 280 D CA 0.979 54.902 54.000 -0.127 0.000 0.852 280 D CB 0.037 40.824 40.800 -0.023 0.000 0.947 280 D HN 0.318 nan 8.370 nan 0.000 0.494 281 Y N -0.606 119.618 120.300 -0.127 0.000 2.658 281 Y HA 0.243 4.808 4.550 0.024 0.000 0.362 281 Y C -1.783 174.134 175.900 0.028 0.000 1.017 281 Y CA -1.799 56.286 58.100 -0.025 0.000 1.134 281 Y CB 1.746 40.214 38.460 0.014 0.000 1.144 281 Y HN -0.083 nan 8.280 nan 0.000 0.655 282 P HA -0.060 nan 4.420 nan 0.000 0.220 282 P C 0.042 177.504 177.300 0.271 0.000 1.152 282 P CA 1.145 64.342 63.100 0.163 0.000 0.812 282 P CB 0.755 32.581 31.700 0.210 0.000 0.792 283 L N 0.680 122.018 121.223 0.192 0.000 2.375 283 L HA 0.364 4.718 4.340 0.024 0.000 0.271 283 L C 0.873 177.919 176.870 0.294 0.000 1.107 283 L CA -0.607 54.326 54.840 0.155 0.000 0.806 283 L CB 0.401 42.334 42.059 -0.211 0.000 1.146 283 L HN 0.223 nan 8.230 nan 0.000 0.447 284 H N 1.525 120.726 119.070 0.219 0.000 3.017 284 H HA 0.554 5.124 4.556 0.024 0.000 0.346 284 H C -1.607 173.993 175.328 0.453 0.000 1.286 284 H CA -1.018 55.200 56.048 0.283 0.000 1.120 284 H CB 1.937 31.530 29.762 -0.282 0.000 1.860 284 H HN 0.451 nan 8.280 nan 0.000 0.542 285 I N 2.231 123.135 120.570 0.557 0.000 2.410 285 I HA 0.122 4.306 4.170 0.024 0.000 0.286 285 I C -0.432 175.974 176.117 0.483 0.000 1.009 285 I CA -0.602 60.941 61.300 0.404 0.000 1.111 285 I CB 1.873 40.146 38.000 0.455 0.000 1.262 285 I HN 0.431 nan 8.210 nan 0.000 0.443 286 Q N 5.732 125.775 119.800 0.406 0.000 2.230 286 Q HA 0.299 4.653 4.340 0.024 0.000 0.253 286 Q C -0.966 175.071 176.000 0.060 0.000 0.919 286 Q CA -0.308 55.718 55.803 0.371 0.000 0.908 286 Q CB 1.119 30.140 28.738 0.471 0.000 1.245 286 Q HN 0.596 nan 8.270 nan 0.000 0.437 287 H N 4.493 123.319 119.070 -0.406 0.000 2.504 287 H HA 0.560 5.130 4.556 0.024 0.000 0.322 287 H C -0.857 174.168 175.328 -0.504 0.000 1.055 287 H CA -0.903 54.547 56.048 -0.998 0.000 1.231 287 H CB 0.499 29.145 29.762 -1.861 0.000 1.417 287 H HN 0.694 nan 8.280 nan 0.000 0.472 288 I N 1.954 122.325 120.570 -0.331 0.000 2.730 288 I HA 0.540 4.724 4.170 0.024 0.000 0.298 288 I C -1.105 174.825 176.117 -0.311 0.000 1.089 288 I CA -1.190 59.876 61.300 -0.391 0.000 1.041 288 I CB 2.548 40.317 38.000 -0.386 0.000 1.235 288 I HN 0.435 nan 8.210 nan 0.000 0.423 289 R N 3.446 123.753 120.500 -0.323 0.000 2.532 289 R HA 0.837 5.192 4.340 0.024 0.000 0.295 289 R C -0.910 175.287 176.300 -0.172 0.000 0.968 289 R CA -0.436 55.550 56.100 -0.190 0.000 0.916 289 R CB 1.871 32.072 30.300 -0.165 0.000 1.124 289 R HN 1.061 nan 8.270 nan 0.000 0.463 290 C N -0.768 118.477 119.300 -0.092 0.000 3.272 290 C HA 0.589 5.063 4.460 0.024 0.000 0.363 290 C C -1.216 173.754 174.990 -0.033 0.000 1.514 290 C CA -0.949 58.036 59.018 -0.054 0.000 1.185 290 C CB 1.503 29.221 27.740 -0.037 0.000 1.716 290 C HN 0.833 nan 8.230 nan 0.000 0.440 291 E N -0.346 119.849 120.200 -0.008 0.000 2.392 291 E HA 0.872 5.237 4.350 0.024 0.000 0.269 291 E C -1.555 175.066 176.600 0.034 0.000 0.924 291 E CA -0.366 55.942 56.400 -0.154 0.000 0.784 291 E CB 2.538 32.147 29.700 -0.153 0.000 1.292 291 E HN 0.741 nan 8.360 nan 0.000 0.447 292 F N -1.395 118.571 119.950 0.026 0.000 2.678 292 F HA 0.565 5.107 4.527 0.024 0.000 0.308 292 F C -1.222 174.658 175.800 0.133 0.000 1.118 292 F CA -1.052 57.007 58.000 0.099 0.000 0.959 292 F CB 1.288 40.215 39.000 -0.122 0.000 1.305 292 F HN 0.062 nan 8.300 nan 0.000 0.443 293 E N 2.613 123.119 120.200 0.510 0.000 2.224 293 E HA 0.328 4.692 4.350 0.024 0.000 0.265 293 E C -1.202 175.702 176.600 0.506 0.000 0.878 293 E CA -0.989 55.663 56.400 0.421 0.000 0.759 293 E CB 2.912 32.750 29.700 0.230 0.000 1.164 293 E HN 0.801 nan 8.360 nan 0.000 0.414 294 L N 2.956 124.460 121.223 0.467 0.000 2.578 294 L HA -0.043 4.311 4.340 0.024 0.000 0.279 294 L C 0.350 177.200 176.870 -0.033 0.000 1.227 294 L CA 0.741 55.576 54.840 -0.009 0.000 0.900 294 L CB 0.073 42.119 42.059 -0.021 0.000 1.144 294 L HN 0.303 nan 8.230 nan 0.000 0.496 295 K N 4.033 124.313 120.400 -0.201 0.000 2.258 295 K HA 0.082 4.417 4.320 0.024 0.000 0.264 295 K C -0.063 176.534 176.600 -0.004 0.000 1.007 295 K CA -0.407 55.802 56.287 -0.129 0.000 0.941 295 K CB 0.420 32.708 32.500 -0.354 0.000 0.966 295 K HN 0.621 nan 8.250 nan 0.000 0.480 296 E N 0.171 120.398 120.200 0.045 0.000 2.384 296 E HA 0.019 4.383 4.350 0.024 0.000 0.266 296 E C 0.428 177.030 176.600 0.004 0.000 1.012 296 E CA 0.558 56.984 56.400 0.044 0.000 0.901 296 E CB 0.303 30.027 29.700 0.040 0.000 0.967 296 E HN 0.760 nan 8.360 nan 0.000 0.435 297 G N 3.236 111.955 108.800 -0.135 0.000 2.147 297 G HA2 -0.289 3.686 3.960 0.024 0.000 0.244 297 G HA3 -0.289 3.686 3.960 0.024 0.000 0.244 297 G C -0.766 173.318 174.900 -1.361 0.000 1.005 297 G CA 0.334 45.082 45.100 -0.587 0.000 0.713 297 G HN 0.487 nan 8.290 nan 0.000 0.515 298 Y N -0.947 118.836 120.300 -0.861 0.000 2.499 298 Y HA 0.645 5.210 4.550 0.024 0.000 0.347 298 Y C 0.891 176.556 175.900 -0.390 0.000 0.987 298 Y CA -1.166 56.478 58.100 -0.760 0.000 1.044 298 Y CB 1.360 39.436 38.460 -0.639 0.000 1.245 298 Y HN 0.116 nan 8.280 nan 0.000 0.461 299 I N 5.970 126.476 120.570 -0.106 0.000 2.529 299 I HA 0.173 4.357 4.170 0.024 0.000 0.284 299 I C -2.085 173.900 176.117 -0.221 0.000 1.082 299 I CA -1.821 59.366 61.300 -0.189 0.000 1.406 299 I CB 1.050 38.868 38.000 -0.302 0.000 1.405 299 I HN 0.292 nan 8.210 nan 0.000 0.548 300 P HA 0.095 nan 4.420 nan 0.000 0.275 300 P C 0.040 177.277 177.300 -0.106 0.000 1.228 300 P CA -0.091 62.931 63.100 -0.131 0.000 0.786 300 P CB 1.117 32.847 31.700 0.049 0.000 0.927 301 T N -1.683 112.965 114.554 0.156 0.000 3.080 301 T HA 0.212 4.576 4.350 0.024 0.000 0.280 301 T C 0.751 175.631 174.700 0.300 0.000 0.926 301 T CA -0.211 61.936 62.100 0.079 0.000 0.883 301 T CB -0.341 68.398 68.868 -0.215 0.000 1.194 301 T HN 0.436 nan 8.240 nan 0.000 0.541 302 I N 0.247 120.952 120.570 0.225 0.000 2.336 302 I HA 0.682 4.866 4.170 0.024 0.000 0.292 302 I C -0.897 175.208 176.117 -0.020 0.000 0.991 302 I CA -0.866 60.404 61.300 -0.049 0.000 1.227 302 I CB 1.659 39.329 38.000 -0.551 0.000 1.366 302 I HN 0.054 nan 8.210 nan 0.000 0.466 303 Q N 6.783 126.524 119.800 -0.098 0.000 2.330 303 Q HA 0.598 4.952 4.340 0.024 0.000 0.269 303 Q C -1.619 174.310 176.000 -0.118 0.000 1.022 303 Q CA -0.730 54.916 55.803 -0.261 0.000 0.796 303 Q CB 2.599 30.992 28.738 -0.575 0.000 1.271 303 Q HN 0.836 nan 8.270 nan 0.000 0.450 304 I N 4.157 124.685 120.570 -0.071 0.000 2.354 304 I HA 0.334 4.519 4.170 0.024 0.000 0.286 304 I C -0.169 175.939 176.117 -0.016 0.000 1.007 304 I CA -0.690 60.601 61.300 -0.015 0.000 1.167 304 I CB 1.341 39.358 38.000 0.029 0.000 1.320 304 I HN 0.461 nan 8.210 nan 0.000 0.458 312 G N 0.052 108.847 108.800 -0.009 0.000 2.958 312 G HA2 -0.010 3.965 3.960 0.024 0.000 0.225 312 G HA3 -0.010 3.965 3.960 0.024 0.000 0.225 312 G C 0.267 175.129 174.900 -0.064 0.000 1.036 312 G CA -0.032 45.048 45.100 -0.033 0.000 0.880 312 G HN 0.566 nan 8.290 nan 0.000 0.557 313 N N 0.572 119.251 118.700 -0.034 0.000 2.398 313 N HA 0.075 4.830 4.740 0.024 0.000 0.188 313 N C 0.083 175.573 175.510 -0.033 0.000 1.122 313 N CA 0.045 53.079 53.050 -0.027 0.000 0.866 313 N CB 0.324 38.828 38.487 0.029 0.000 0.970 313 N HN 0.081 nan 8.380 nan 0.000 0.462 314 E N 0.560 120.729 120.200 -0.052 0.000 2.156 314 E HA 0.160 4.524 4.350 0.024 0.000 0.279 314 E C -0.994 175.568 176.600 -0.062 0.000 0.965 314 E CA -0.552 55.866 56.400 0.030 0.000 0.789 314 E CB 0.924 30.668 29.700 0.073 0.000 1.098 314 E HN 0.259 nan 8.360 nan 0.000 0.397 315 Y N 2.277 122.690 120.300 0.188 0.000 2.336 315 Y HA 0.216 4.781 4.550 0.024 0.000 0.335 315 Y C 0.457 176.478 175.900 0.202 0.000 1.046 315 Y CA -0.305 57.902 58.100 0.179 0.000 1.198 315 Y CB 0.772 39.336 38.460 0.173 0.000 1.182 315 Y HN 0.243 nan 8.280 nan 0.000 0.502 316 L N 4.644 126.051 121.223 0.306 0.000 2.289 316 L HA 0.362 4.716 4.340 0.024 0.000 0.285 316 L C 0.890 178.021 176.870 0.435 0.000 1.049 316 L CA -0.538 54.500 54.840 0.330 0.000 0.804 316 L CB 1.488 43.759 42.059 0.353 0.000 1.195 316 L HN 0.710 nan 8.230 nan 0.000 0.428 317 K N 0.922 121.561 120.400 0.398 0.000 2.044 317 K HA 0.026 4.360 4.320 0.024 0.000 0.204 317 K C 0.857 177.760 176.600 0.505 0.000 1.045 317 K CA 0.712 57.240 56.287 0.403 0.000 0.951 317 K CB 0.199 32.861 32.500 0.269 0.000 0.738 317 K HN 0.580 nan 8.250 nan 0.000 0.443 318 S N -0.632 115.287 115.700 0.364 0.000 2.689 318 S HA 0.181 4.665 4.470 0.024 0.000 0.306 318 S C 0.635 175.218 174.600 -0.029 0.000 1.104 318 S CA -0.679 57.641 58.200 0.201 0.000 0.973 318 S CB 1.750 64.985 63.200 0.059 0.000 1.121 318 S HN 0.202 nan 8.310 nan 0.000 0.523 319 S N 0.741 116.090 115.700 -0.585 0.000 2.517 319 S HA 0.340 4.824 4.470 0.024 0.000 0.214 319 S C 1.392 175.785 174.600 -0.344 0.000 0.991 319 S CA 0.306 58.024 58.200 -0.803 0.000 0.906 319 S CB -0.163 62.212 63.200 -1.376 0.000 0.789 319 S HN 2.051 nan 8.310 nan 0.000 0.513 320 G N 1.343 110.005 108.800 -0.231 0.000 2.221 320 G HA2 0.092 4.066 3.960 0.024 0.000 0.265 320 G HA3 0.092 4.066 3.960 0.024 0.000 0.265 320 G C 0.933 175.753 174.900 -0.134 0.000 1.041 320 G CA 0.151 45.171 45.100 -0.133 0.000 0.807 320 G HN 1.742 nan 8.290 nan 0.000 0.502 321 G N -1.406 107.291 108.800 -0.172 0.000 2.179 321 G HA2 -0.079 3.895 3.960 0.024 0.000 0.257 321 G HA3 -0.079 3.895 3.960 0.024 0.000 0.257 321 G C 0.031 174.858 174.900 -0.123 0.000 1.010 321 G CA 1.374 46.389 45.100 -0.142 0.000 0.736 321 G HN 1.543 nan 8.290 nan 0.000 0.513 322 E N -0.566 119.545 120.200 -0.147 0.000 2.222 322 E HA 0.648 5.012 4.350 0.024 0.000 0.267 322 E C 0.544 177.060 176.600 -0.140 0.000 0.884 322 E CA -0.997 55.334 56.400 -0.116 0.000 0.764 322 E CB 0.855 30.502 29.700 -0.090 0.000 1.169 322 E HN 0.265 nan 8.360 nan 0.000 0.413 323 I N 3.033 123.544 120.570 -0.099 0.000 2.496 323 I HA 0.300 4.485 4.170 0.024 0.000 0.285 323 I C 0.263 176.342 176.117 -0.063 0.000 1.080 323 I CA -0.309 60.937 61.300 -0.090 0.000 1.404 323 I CB 1.043 39.003 38.000 -0.066 0.000 1.403 323 I HN 0.517 nan 8.210 nan 0.000 0.539 324 A N 4.722 127.515 122.820 -0.045 0.000 2.306 324 A HA 0.393 4.727 4.320 0.024 0.000 0.314 324 A C -0.658 176.939 177.584 0.022 0.000 1.164 324 A CA -0.436 51.617 52.037 0.026 0.000 0.822 324 A CB 0.667 19.762 19.000 0.160 0.000 1.130 324 A HN 0.735 nan 8.150 nan 0.000 0.496 325 D N 1.627 122.049 120.400 0.037 0.000 2.460 325 D HA 0.557 5.211 4.640 0.024 0.000 0.232 325 D C -1.017 175.329 176.300 0.077 0.000 1.079 325 D CA 0.086 54.119 54.000 0.056 0.000 0.864 325 D CB 0.346 41.192 40.800 0.076 0.000 1.048 325 D HN 0.401 nan 8.370 nan 0.000 0.523 326 L N 3.099 124.355 121.223 0.055 0.000 2.386 326 L HA 0.603 4.957 4.340 0.024 0.000 0.271 326 L C -1.013 175.878 176.870 0.036 0.000 0.993 326 L CA -1.012 53.870 54.840 0.070 0.000 0.819 326 L CB 1.750 43.818 42.059 0.014 0.000 1.294 326 L HN 0.321 nan 8.230 nan 0.000 0.414 327 W N 4.402 125.719 121.300 0.028 0.000 2.429 327 W HA 0.726 5.401 4.660 0.024 0.000 0.314 327 W C -0.765 175.770 176.519 0.026 0.000 1.062 327 W CA -0.184 57.194 57.345 0.056 0.000 1.211 327 W CB 1.282 30.777 29.460 0.059 0.000 1.305 327 W HN 0.139 nan 8.180 nan 0.000 0.476 328 L N 3.163 124.501 121.223 0.192 0.000 2.409 328 L HA 0.504 4.858 4.340 0.024 0.000 0.262 328 L C 0.442 177.287 176.870 -0.041 0.000 0.992 328 L CA -1.180 53.685 54.840 0.041 0.000 0.817 328 L CB 2.109 44.161 42.059 -0.011 0.000 1.350 328 L HN 0.429 nan 8.230 nan 0.000 0.411 329 S N -0.422 115.146 115.700 -0.219 0.000 2.593 329 S HA 0.053 4.537 4.470 0.024 0.000 0.269 329 S C 0.814 175.204 174.600 -0.351 0.000 1.334 329 S CA 0.022 57.961 58.200 -0.436 0.000 1.015 329 S CB 0.881 63.539 63.200 -0.904 0.000 0.912 329 S HN 0.821 nan 8.310 nan 0.000 0.541 330 N N 1.346 119.819 118.700 -0.378 0.000 2.289 330 N HA -0.145 4.610 4.740 0.024 0.000 0.184 330 N C 1.143 176.516 175.510 -0.229 0.000 1.016 330 N CA 1.273 54.118 53.050 -0.341 0.000 0.872 330 N CB -0.555 37.696 38.487 -0.394 0.000 0.973 330 N HN 0.384 nan 8.380 nan 0.000 0.433 331 V N 0.961 120.666 119.914 -0.349 0.000 2.343 331 V HA -0.212 3.922 4.120 0.024 0.000 0.247 331 V C 1.853 177.752 176.094 -0.325 0.000 1.051 331 V CA 1.955 63.944 62.300 -0.517 0.000 1.036 331 V CB -0.623 30.615 31.823 -0.975 0.000 0.654 331 V HN 0.375 nan 8.190 nan 0.000 0.451 332 D N -0.294 119.925 120.400 -0.301 0.000 2.144 332 D HA -0.110 4.544 4.640 0.024 0.000 0.200 332 D C 2.004 178.223 176.300 -0.134 0.000 0.978 332 D CA 1.051 54.931 54.000 -0.201 0.000 0.833 332 D CB 0.068 40.753 40.800 -0.191 0.000 0.961 332 D HN 0.318 nan 8.370 nan 0.000 0.470 333 L N 1.108 122.263 121.223 -0.114 0.000 2.068 333 L HA -0.085 4.269 4.340 0.024 0.000 0.204 333 L C 2.125 178.991 176.870 -0.006 0.000 1.076 333 L CA 1.511 56.329 54.840 -0.036 0.000 0.753 333 L CB -0.283 41.789 42.059 0.021 0.000 0.910 333 L HN -0.205 nan 8.230 nan 0.000 0.439 334 E N -0.777 119.415 120.200 -0.013 0.000 2.097 334 E HA -0.276 4.088 4.350 0.024 0.000 0.196 334 E C 2.049 178.662 176.600 0.022 0.000 1.000 334 E CA 1.598 58.011 56.400 0.021 0.000 0.804 334 E CB -0.325 29.383 29.700 0.013 0.000 0.740 334 E HN 0.302 nan 8.360 nan 0.000 0.454 335 L N -0.066 121.144 121.223 -0.022 0.000 1.976 335 L HA -0.153 4.202 4.340 0.024 0.000 0.209 335 L C 2.356 179.169 176.870 -0.094 0.000 1.071 335 L CA 1.925 56.716 54.840 -0.081 0.000 0.746 335 L CB -0.462 41.495 42.059 -0.170 0.000 0.890 335 L HN 0.260 nan 8.230 nan 0.000 0.432 336 M N -0.959 118.604 119.600 -0.061 0.000 2.108 336 M HA -0.344 4.151 4.480 0.024 0.000 0.257 336 M C 2.152 178.518 176.300 0.109 0.000 1.071 336 M CA 1.938 57.264 55.300 0.044 0.000 1.093 336 M CB -0.151 32.424 32.600 -0.042 0.000 1.345 336 M HN 0.177 nan 8.290 nan 0.000 0.403 337 K N -0.671 119.762 120.400 0.054 0.000 2.148 337 K HA -0.204 4.130 4.320 0.024 0.000 0.204 337 K C 1.823 178.427 176.600 0.006 0.000 1.050 337 K CA 1.515 57.831 56.287 0.048 0.000 0.942 337 K CB -0.132 32.398 32.500 0.050 0.000 0.724 337 K HN 0.370 nan 8.250 nan 0.000 0.446 338 E N 0.133 120.350 120.200 0.028 0.000 2.158 338 E HA -0.103 4.261 4.350 0.024 0.000 0.191 338 E C 1.338 177.752 176.600 -0.310 0.000 0.982 338 E CA 1.108 57.505 56.400 -0.005 0.000 0.823 338 E CB 0.204 30.018 29.700 0.189 0.000 0.766 338 E HN 0.412 nan 8.360 nan 0.000 0.468 339 H N -2.374 116.420 119.070 -0.461 0.000 2.654 339 H HA 0.129 4.700 4.556 0.024 0.000 0.264 339 H C -0.316 174.512 175.328 -0.832 0.000 0.954 339 H CA 0.027 55.588 56.048 -0.811 0.000 1.199 339 H CB 0.758 30.218 29.762 -0.504 0.000 1.446 339 H HN 0.069 nan 8.280 nan 0.000 0.516 340 Y N 0.900 121.096 120.300 -0.174 0.000 2.462 340 Y HA 0.161 4.725 4.550 0.024 0.000 0.346 340 Y C -0.267 175.602 175.900 -0.052 0.000 0.976 340 Y CA -1.306 56.748 58.100 -0.076 0.000 1.044 340 Y CB 1.407 39.854 38.460 -0.022 0.000 1.230 340 Y HN -0.059 nan 8.280 nan 0.000 0.455 341 D N 3.780 124.285 120.400 0.175 0.000 2.346 341 D HA 0.180 4.835 4.640 0.024 0.000 0.260 341 D C -0.625 175.808 176.300 0.222 0.000 1.252 341 D CA 0.367 54.441 54.000 0.123 0.000 0.895 341 D CB 0.624 41.520 40.800 0.159 0.000 1.097 341 D HN 0.390 nan 8.370 nan 0.000 0.489 342 L N 3.639 124.913 121.223 0.084 0.000 2.255 342 L HA 0.276 4.630 4.340 0.024 0.000 0.289 342 L C -0.178 176.704 176.870 0.019 0.000 1.046 342 L CA -0.749 54.169 54.840 0.131 0.000 0.816 342 L CB 0.194 42.300 42.059 0.079 0.000 1.197 342 L HN 0.233 nan 8.230 nan 0.000 0.427 343 Y N 2.338 122.665 120.300 0.045 0.000 2.323 343 Y HA 0.174 4.738 4.550 0.024 0.000 0.331 343 Y C 0.933 176.825 175.900 -0.013 0.000 1.092 343 Y CA -0.357 57.750 58.100 0.012 0.000 1.150 343 Y CB 0.982 39.438 38.460 -0.007 0.000 1.200 343 Y HN 0.607 nan 8.280 nan 0.000 0.472 344 N N 0.455 119.218 118.700 0.104 0.000 2.714 344 N HA -0.179 4.576 4.740 0.024 0.000 0.253 344 N C -1.431 174.080 175.510 0.003 0.000 1.024 344 N CA -0.248 52.837 53.050 0.058 0.000 0.726 344 N CB -0.815 37.712 38.487 0.066 0.000 0.908 344 N HN 0.149 nan 8.380 nan 0.000 0.542 345 V N 0.705 120.607 119.914 -0.020 0.000 2.530 345 V HA 0.142 4.276 4.120 0.024 0.000 0.282 345 V C 0.699 176.685 176.094 -0.181 0.000 1.048 345 V CA 0.179 62.383 62.300 -0.161 0.000 0.997 345 V CB 1.628 33.302 31.823 -0.249 0.000 0.987 345 V HN 0.235 nan 8.190 nan 0.000 0.477 346 E N 3.587 123.621 120.200 -0.276 0.000 2.155 346 E HA 0.370 4.734 4.350 0.024 0.000 0.264 346 E C -1.698 174.719 176.600 -0.306 0.000 0.886 346 E CA -0.675 55.618 56.400 -0.177 0.000 0.752 346 E CB 1.052 30.670 29.700 -0.136 0.000 1.133 346 E HN 0.664 nan 8.360 nan 0.000 0.414 347 Y N 5.058 125.307 120.300 -0.084 0.000 2.700 347 Y HA 0.219 4.783 4.550 0.024 0.000 0.333 347 Y C 0.898 176.732 175.900 -0.109 0.000 1.036 347 Y CA -0.333 57.718 58.100 -0.080 0.000 1.287 347 Y CB 0.297 38.757 38.460 -0.001 0.000 1.132 347 Y HN 0.600 nan 8.280 nan 0.000 0.510 348 I N 0.868 121.334 120.570 -0.173 0.000 2.110 348 I HA -0.176 4.008 4.170 0.024 0.000 0.236 348 I C 0.991 177.075 176.117 -0.055 0.000 1.068 348 I CA 1.327 62.501 61.300 -0.211 0.000 1.333 348 I CB -0.013 37.639 38.000 -0.580 0.000 1.054 348 I HN 0.580 nan 8.210 nan 0.000 0.402 349 S N -1.552 114.108 115.700 -0.068 0.000 2.683 349 S HA 0.791 5.275 4.470 0.024 0.000 0.269 349 S C -0.559 173.946 174.600 -0.159 0.000 1.165 349 S CA -0.199 57.985 58.200 -0.027 0.000 0.840 349 S CB 1.511 64.724 63.200 0.021 0.000 1.169 349 S HN 0.470 nan 8.310 nan 0.000 0.490 350 G N -0.656 107.788 108.800 -0.592 0.000 2.340 350 G HA2 0.539 4.513 3.960 0.024 0.000 0.299 350 G HA3 0.539 4.513 3.960 0.024 0.000 0.299 350 G C -2.652 171.622 174.900 -1.043 0.000 1.291 350 G CA -0.644 44.051 45.100 -0.677 0.000 0.841 350 G HN 0.976 nan 8.290 nan 0.000 0.500 351 L N 0.133 121.124 121.223 -0.387 0.000 2.401 351 L HA 0.691 5.045 4.340 0.024 0.000 0.266 351 L C -0.055 176.897 176.870 0.137 0.000 0.991 351 L CA -0.732 53.993 54.840 -0.192 0.000 0.818 351 L CB 2.411 44.372 42.059 -0.164 0.000 1.321 351 L HN 0.870 nan 8.230 nan 0.000 0.413 352 K N 0.651 121.072 120.400 0.034 0.000 2.328 352 K HA 0.866 5.200 4.320 0.024 0.000 0.246 352 K C -1.555 174.963 176.600 -0.136 0.000 0.955 352 K CA -0.611 55.769 56.287 0.155 0.000 0.817 352 K CB 2.114 34.853 32.500 0.398 0.000 1.208 352 K HN 0.248 nan 8.250 nan 0.000 0.432 353 F N 0.556 120.717 119.950 0.352 0.000 2.588 353 F HA 0.398 4.939 4.527 0.024 0.000 0.310 353 F C 0.049 175.884 175.800 0.058 0.000 1.082 353 F CA -1.091 57.058 58.000 0.248 0.000 0.929 353 F CB 1.992 41.038 39.000 0.076 0.000 1.254 353 F HN 0.306 nan 8.300 nan 0.000 0.455 354 K N 1.435 121.746 120.400 -0.149 0.000 2.230 354 K HA 0.734 5.068 4.320 0.024 0.000 0.253 354 K C -0.606 175.909 176.600 -0.142 0.000 1.008 354 K CA -0.418 55.589 56.287 -0.467 0.000 0.910 354 K CB 0.823 32.767 32.500 -0.927 0.000 0.994 354 K HN 0.731 nan 8.250 nan 0.000 0.495 355 A N 0.792 123.666 122.820 0.090 0.000 2.577 355 A HA 0.524 4.858 4.320 0.024 0.000 0.297 355 A C -0.801 176.913 177.584 0.216 0.000 1.060 355 A CA -0.740 51.438 52.037 0.236 0.000 0.697 355 A CB 1.556 20.607 19.000 0.085 0.000 1.281 355 A HN 0.718 nan 8.150 nan 0.000 0.402 356 T N -1.175 113.449 114.554 0.116 0.000 2.865 356 T HA 0.824 5.189 4.350 0.024 0.000 0.294 356 T C 0.443 175.121 174.700 -0.036 0.000 1.119 356 T CA -0.027 62.066 62.100 -0.013 0.000 1.007 356 T CB 1.094 69.884 68.868 -0.129 0.000 1.225 356 T HN 1.600 nan 8.240 nan 0.000 0.515 357 T N -2.177 112.343 114.554 -0.057 0.000 2.793 357 T HA 0.541 4.905 4.350 0.024 0.000 0.299 357 T C 1.646 176.284 174.700 -0.103 0.000 1.038 357 T CA 0.295 62.351 62.100 -0.073 0.000 0.948 357 T CB -0.226 68.589 68.868 -0.088 0.000 1.231 357 T HN 2.212 nan 8.240 nan 0.000 0.538 358 G N -0.360 108.369 108.800 -0.119 0.000 2.196 358 G HA2 -0.266 3.708 3.960 0.024 0.000 0.268 358 G HA3 -0.266 3.708 3.960 0.024 0.000 0.268 358 G C 0.850 175.690 174.900 -0.100 0.000 0.975 358 G CA 0.583 45.599 45.100 -0.140 0.000 0.648 358 G HN 0.752 nan 8.290 nan 0.000 0.538 359 L N -1.387 119.757 121.223 -0.131 0.000 2.191 359 L HA 0.108 4.463 4.340 0.024 0.000 0.212 359 L C 2.016 178.736 176.870 -0.250 0.000 1.103 359 L CA 1.346 56.028 54.840 -0.263 0.000 0.769 359 L CB -0.207 41.595 42.059 -0.429 0.000 0.908 359 L HN 0.346 nan 8.230 nan 0.000 0.438 360 F N -1.534 118.535 119.950 0.199 0.000 2.647 360 F HA 0.125 4.666 4.527 0.024 0.000 0.300 360 F C 1.913 177.910 175.800 0.329 0.000 1.106 360 F CA -0.217 57.974 58.000 0.320 0.000 1.313 360 F CB -0.089 39.033 39.000 0.203 0.000 1.007 360 F HN -0.133 nan 8.300 nan 0.000 0.536 361 K N 0.937 121.493 120.400 0.260 0.000 1.978 361 K HA -0.202 4.133 4.320 0.024 0.000 0.214 361 K C 1.374 178.180 176.600 0.344 0.000 1.049 361 K CA 2.280 58.670 56.287 0.173 0.000 0.939 361 K CB -0.117 32.360 32.500 -0.038 0.000 0.721 361 K HN 0.111 nan 8.250 nan 0.000 0.441 362 D N 0.033 120.601 120.400 0.280 0.000 2.092 362 D HA -0.179 4.475 4.640 0.024 0.000 0.193 362 D C 1.745 178.250 176.300 0.341 0.000 0.994 362 D CA 1.049 55.198 54.000 0.248 0.000 0.828 362 D CB -0.464 40.440 40.800 0.173 0.000 0.963 362 D HN 0.202 nan 8.370 nan 0.000 0.450 363 F N 1.411 121.583 119.950 0.369 0.000 2.065 363 F HA -0.181 4.360 4.527 0.023 0.000 0.298 363 F C 2.284 178.372 175.800 0.479 0.000 1.112 363 F CA 1.364 59.654 58.000 0.482 0.000 1.212 363 F CB -0.240 39.185 39.000 0.709 0.000 0.975 363 F HN -0.110 nan 8.300 nan 0.000 0.476 364 I N -0.140 120.813 120.570 0.637 0.000 2.315 364 I HA -0.267 3.917 4.170 0.024 0.000 0.248 364 I C 1.973 178.258 176.117 0.280 0.000 1.117 364 I CA 1.258 62.836 61.300 0.464 0.000 1.404 364 I CB -0.631 37.694 38.000 0.543 0.000 1.071 364 I HN 0.143 nan 8.210 nan 0.000 0.419 365 D N 1.141 121.719 120.400 0.296 0.000 2.084 365 D HA -0.229 4.425 4.640 0.024 0.000 0.194 365 D C 2.056 178.405 176.300 0.081 0.000 0.990 365 D CA 1.381 55.490 54.000 0.181 0.000 0.826 365 D CB -0.202 40.709 40.800 0.186 0.000 0.971 365 D HN 0.250 nan 8.370 nan 0.000 0.453 366 K N -0.297 120.090 120.400 -0.021 0.000 2.020 366 K HA -0.193 4.141 4.320 0.024 0.000 0.212 366 K C 2.256 178.696 176.600 -0.266 0.000 1.050 366 K CA 1.582 57.729 56.287 -0.233 0.000 0.929 366 K CB -0.408 31.827 32.500 -0.441 0.000 0.714 366 K HN 0.205 nan 8.250 nan 0.000 0.443 367 W N 0.548 121.781 121.300 -0.111 0.000 2.476 367 W HA -0.006 4.668 4.660 0.023 0.000 0.281 367 W C 2.290 178.790 176.519 -0.032 0.000 1.230 367 W CA 0.867 58.141 57.345 -0.118 0.000 1.287 367 W CB -0.120 29.168 29.460 -0.288 0.000 1.108 367 W HN 0.112 nan 8.180 nan 0.000 0.567 368 T N -0.352 114.321 114.554 0.198 0.000 2.821 368 T HA -0.290 4.074 4.350 0.024 0.000 0.267 368 T C 1.328 176.077 174.700 0.082 0.000 1.046 368 T CA 1.517 63.686 62.100 0.116 0.000 1.139 368 T CB -0.621 68.281 68.868 0.058 0.000 0.871 368 T HN 0.206 nan 8.240 nan 0.000 0.454 369 Y N 1.673 121.966 120.300 -0.012 0.000 2.114 369 Y HA -0.104 4.460 4.550 0.024 0.000 0.284 369 Y C 2.016 177.896 175.900 -0.033 0.000 1.143 369 Y CA 1.089 59.167 58.100 -0.037 0.000 1.135 369 Y CB -0.454 37.965 38.460 -0.068 0.000 0.980 369 Y HN 0.149 nan 8.280 nan 0.000 0.499 370 I N 0.588 121.200 120.570 0.070 0.000 2.264 370 I HA -0.335 3.849 4.170 0.024 0.000 0.248 370 I C 2.606 178.705 176.117 -0.029 0.000 1.111 370 I CA 1.857 63.163 61.300 0.010 0.000 1.382 370 I CB -0.488 37.560 38.000 0.080 0.000 1.060 370 I HN 0.228 nan 8.210 nan 0.000 0.418 371 K N 0.699 121.116 120.400 0.028 0.000 2.057 371 K HA -0.163 4.171 4.320 0.024 0.000 0.206 371 K C 2.013 178.567 176.600 -0.078 0.000 1.050 371 K CA 1.851 58.137 56.287 -0.001 0.000 0.935 371 K CB -0.071 32.452 32.500 0.038 0.000 0.715 371 K HN 0.213 nan 8.250 nan 0.000 0.439 372 T N -0.006 114.470 114.554 -0.130 0.000 2.867 372 T HA -0.073 4.291 4.350 0.024 0.000 0.268 372 T C 1.659 176.229 174.700 -0.218 0.000 1.057 372 T CA 1.571 63.572 62.100 -0.164 0.000 1.136 372 T CB -0.113 68.645 68.868 -0.183 0.000 0.874 372 T HN 0.268 nan 8.240 nan 0.000 0.466 373 T N 1.816 116.176 114.554 -0.323 0.000 3.081 373 T HA 0.144 4.508 4.350 0.024 0.000 0.255 373 T C 0.675 175.268 174.700 -0.178 0.000 1.113 373 T CA 0.081 61.981 62.100 -0.333 0.000 1.082 373 T CB 0.034 68.548 68.868 -0.589 0.000 0.939 373 T HN 0.470 nan 8.240 nan 0.000 0.506 374 S N 0.408 116.029 115.700 -0.132 0.000 2.671 374 S HA 0.781 5.265 4.470 0.024 0.000 0.299 374 S C -1.161 173.391 174.600 -0.080 0.000 1.116 374 S CA -1.107 57.041 58.200 -0.087 0.000 0.912 374 S CB 2.231 65.393 63.200 -0.063 0.000 1.130 374 S HN 0.009 nan 8.310 nan 0.000 0.501 375 E N -0.319 119.837 120.200 -0.073 0.000 2.339 375 E HA 0.703 5.067 4.350 0.024 0.000 0.262 375 E C 0.845 177.388 176.600 -0.095 0.000 0.934 375 E CA -0.183 56.172 56.400 -0.075 0.000 0.802 375 E CB 1.070 30.736 29.700 -0.057 0.000 1.275 375 E HN 1.056 nan 8.360 nan 0.000 0.427 376 G N 1.174 109.912 108.800 -0.104 0.000 2.614 376 G HA2 -0.390 3.584 3.960 0.024 0.000 0.303 376 G HA3 -0.390 3.584 3.960 0.024 0.000 0.303 376 G C 1.038 175.767 174.900 -0.287 0.000 1.270 376 G CA 1.815 46.832 45.100 -0.138 0.000 0.988 376 G HN 0.727 nan 8.290 nan 0.000 0.551 377 A N -0.550 122.066 122.820 -0.339 0.000 1.869 377 A HA -0.070 4.264 4.320 0.024 0.000 0.218 377 A C 2.642 179.883 177.584 -0.571 0.000 1.203 377 A CA 2.973 54.578 52.037 -0.720 0.000 0.638 377 A CB -0.562 18.282 19.000 -0.260 0.000 0.831 377 A HN 1.023 nan 8.150 nan 0.000 0.450 378 I N -0.605 119.822 120.570 -0.239 0.000 2.493 378 I HA -0.234 3.951 4.170 0.024 0.000 0.254 378 I C 2.519 178.588 176.117 -0.080 0.000 1.160 378 I CA 1.746 62.984 61.300 -0.103 0.000 1.445 378 I CB -0.313 37.679 38.000 -0.013 0.000 1.086 378 I HN 0.485 nan 8.210 nan 0.000 0.433 379 K N 0.813 121.137 120.400 -0.126 0.000 2.057 379 K HA -0.209 4.125 4.320 0.024 0.000 0.206 379 K C 2.187 178.719 176.600 -0.112 0.000 1.050 379 K CA 1.236 57.469 56.287 -0.089 0.000 0.935 379 K CB 0.083 32.524 32.500 -0.099 0.000 0.715 379 K HN 0.184 nan 8.250 nan 0.000 0.439 380 Q N 0.804 120.459 119.800 -0.242 0.000 2.124 380 Q HA -0.118 4.236 4.340 0.024 0.000 0.202 380 Q C 2.249 178.195 176.000 -0.089 0.000 0.977 380 Q CA 1.239 56.913 55.803 -0.216 0.000 0.850 380 Q CB -0.262 28.209 28.738 -0.446 0.000 0.901 380 Q HN 0.410 nan 8.270 nan 0.000 0.429 381 L N 0.056 121.199 121.223 -0.132 0.000 2.141 381 L HA -0.101 4.253 4.340 0.024 0.000 0.209 381 L C 2.360 179.146 176.870 -0.141 0.000 1.094 381 L CA 0.867 55.680 54.840 -0.045 0.000 0.763 381 L CB -0.581 41.470 42.059 -0.013 0.000 0.908 381 L HN 0.111 nan 8.230 nan 0.000 0.437 382 A N 0.348 123.135 122.820 -0.054 0.000 1.930 382 A HA -0.190 4.144 4.320 0.024 0.000 0.217 382 A C 2.317 179.870 177.584 -0.053 0.000 1.175 382 A CA 1.472 53.510 52.037 0.002 0.000 0.627 382 A CB -0.231 18.926 19.000 0.261 0.000 0.815 382 A HN 0.300 nan 8.150 nan 0.000 0.443 383 K N -0.820 119.580 120.400 -0.001 0.000 2.057 383 K HA -0.065 4.270 4.320 0.024 0.000 0.206 383 K C 1.883 178.511 176.600 0.048 0.000 1.050 383 K CA 1.223 57.535 56.287 0.042 0.000 0.935 383 K CB -0.361 32.177 32.500 0.064 0.000 0.715 383 K HN 0.339 nan 8.250 nan 0.000 0.439 384 L N 1.124 122.375 121.223 0.048 0.000 1.989 384 L HA -0.185 4.169 4.340 0.024 0.000 0.211 384 L C 2.116 178.969 176.870 -0.029 0.000 1.071 384 L CA 1.799 56.678 54.840 0.066 0.000 0.749 384 L CB -0.359 41.766 42.059 0.110 0.000 0.890 384 L HN 0.234 nan 8.230 nan 0.000 0.431 385 M N -1.461 118.019 119.600 -0.200 0.000 2.202 385 M HA -0.212 4.282 4.480 0.024 0.000 0.262 385 M C 2.323 178.612 176.300 -0.018 0.000 1.063 385 M CA 1.662 56.788 55.300 -0.289 0.000 1.097 385 M CB -0.882 31.091 32.600 -1.046 0.000 1.382 385 M HN 0.323 nan 8.290 nan 0.000 0.413 386 L N -0.154 121.071 121.223 0.003 0.000 2.068 386 L HA -0.169 4.185 4.340 0.024 0.000 0.204 386 L C 2.079 179.067 176.870 0.198 0.000 1.076 386 L CA 0.846 55.809 54.840 0.205 0.000 0.753 386 L CB -0.574 41.584 42.059 0.164 0.000 0.910 386 L HN 0.274 nan 8.230 nan 0.000 0.439 387 N N -0.494 118.294 118.700 0.147 0.000 2.331 387 N HA -0.091 4.663 4.740 0.024 0.000 0.180 387 N C 1.365 176.951 175.510 0.128 0.000 1.019 387 N CA 1.318 54.473 53.050 0.175 0.000 0.881 387 N CB -0.058 38.528 38.487 0.165 0.000 0.972 387 N HN 0.272 nan 8.380 nan 0.000 0.435 388 S N -0.291 115.444 115.700 0.059 0.000 2.575 388 S HA 0.189 4.673 4.470 0.024 0.000 0.237 388 S C 1.359 175.917 174.600 -0.070 0.000 0.975 388 S CA -0.446 57.736 58.200 -0.030 0.000 0.960 388 S CB 0.275 63.457 63.200 -0.029 0.000 0.822 388 S HN 0.058 nan 8.310 nan 0.000 0.472 389 L N 1.818 123.027 121.223 -0.023 0.000 2.102 389 L HA 0.183 4.537 4.340 0.024 0.000 0.202 389 L C 2.131 178.975 176.870 -0.044 0.000 1.076 389 L CA 1.484 56.282 54.840 -0.069 0.000 0.761 389 L CB -1.071 40.920 42.059 -0.114 0.000 0.921 389 L HN 0.478 nan 8.230 nan 0.000 0.444 390 Y N -0.836 119.435 120.300 -0.048 0.000 2.314 390 Y HA 0.181 4.745 4.550 0.024 0.000 0.293 390 Y C 2.056 178.001 175.900 0.074 0.000 1.129 390 Y CA 1.066 59.161 58.100 -0.008 0.000 1.201 390 Y CB -1.479 36.860 38.460 -0.202 0.000 0.999 390 Y HN 0.057 nan 8.280 nan 0.000 0.541 391 G N 0.488 108.627 108.800 -1.101 0.000 2.448 391 G HA2 -0.288 3.686 3.960 0.024 0.000 0.219 391 G HA3 -0.288 3.686 3.960 0.024 0.000 0.219 391 G C 1.583 176.326 174.900 -0.261 0.000 1.127 391 G CA 0.877 45.536 45.100 -0.734 0.000 0.766 391 G HN 0.403 nan 8.290 nan 0.000 0.552 392 K N -0.228 120.041 120.400 -0.219 0.000 2.296 392 K HA 0.178 4.512 4.320 0.024 0.000 0.200 392 K C 1.797 178.268 176.600 -0.215 0.000 1.048 392 K CA 0.285 56.448 56.287 -0.206 0.000 0.966 392 K CB -0.345 32.010 32.500 -0.240 0.000 0.754 392 K HN 0.309 nan 8.250 nan 0.000 0.466 393 F N 0.122 120.004 119.950 -0.115 0.000 2.186 393 F HA -0.033 4.508 4.527 0.024 0.000 0.299 393 F C 1.577 177.299 175.800 -0.131 0.000 1.090 393 F CA 1.053 59.007 58.000 -0.077 0.000 1.307 393 F CB -0.033 38.932 39.000 -0.058 0.000 1.019 393 F HN 0.019 nan 8.300 nan 0.000 0.489 394 A N -0.675 122.105 122.820 -0.066 0.000 2.833 394 A HA 0.269 4.603 4.320 0.024 0.000 0.293 394 A C 0.698 178.137 177.584 -0.243 0.000 1.338 394 A CA -0.122 51.725 52.037 -0.316 0.000 0.959 394 A CB -0.659 17.796 19.000 -0.908 0.000 1.094 394 A HN 0.036 nan 8.150 nan 0.000 0.569 395 S N 1.502 117.118 115.700 -0.139 0.000 2.546 395 S HA 0.016 4.500 4.470 0.024 0.000 0.290 395 S C 0.463 175.001 174.600 -0.103 0.000 1.290 395 S CA -0.296 57.840 58.200 -0.108 0.000 1.069 395 S CB -0.106 63.037 63.200 -0.096 0.000 0.846 395 S HN 0.647 nan 8.310 nan 0.000 0.495 396 N N 4.297 122.947 118.700 -0.083 0.000 2.475 396 N HA 0.132 4.887 4.740 0.024 0.000 0.267 396 N C -1.735 173.737 175.510 -0.064 0.000 1.169 396 N CA -1.504 51.500 53.050 -0.076 0.000 0.947 396 N CB 1.327 39.784 38.487 -0.049 0.000 1.061 396 N HN 0.367 nan 8.380 nan 0.000 0.466 397 P HA -0.062 nan 4.420 nan 0.000 0.225 397 P C -0.125 177.151 177.300 -0.041 0.000 1.148 397 P CA 0.887 63.958 63.100 -0.048 0.000 0.779 397 P CB 0.176 31.848 31.700 -0.048 0.000 0.780 398 D N 0.551 120.926 120.400 -0.042 0.000 2.435 398 D HA 0.040 4.694 4.640 0.024 0.000 0.230 398 D C 0.759 177.042 176.300 -0.028 0.000 1.215 398 D CA -0.206 53.776 54.000 -0.031 0.000 0.947 398 D CB 0.319 41.102 40.800 -0.028 0.000 1.048 398 D HN -0.084 nan 8.370 nan 0.000 0.512 399 V N 1.548 121.445 119.914 -0.027 0.000 3.415 399 V HA 0.219 4.353 4.120 0.024 0.000 0.325 399 V C 0.688 176.773 176.094 -0.015 0.000 1.313 399 V CA -0.509 61.773 62.300 -0.031 0.000 1.228 399 V CB -0.998 30.799 31.823 -0.043 0.000 1.131 399 V HN 0.267 nan 8.190 nan 0.000 0.433 400 T N 2.518 117.067 114.554 -0.008 0.000 2.902 400 T HA 0.474 4.839 4.350 0.024 0.000 0.301 400 T C 0.756 175.456 174.700 -0.001 0.000 1.012 400 T CA 0.908 63.007 62.100 -0.001 0.000 1.151 400 T CB 0.938 69.803 68.868 -0.004 0.000 0.946 400 T HN 0.771 nan 8.240 nan 0.000 0.542 401 G N 2.143 110.945 108.800 0.003 0.000 2.705 401 G HA2 0.606 4.580 3.960 0.024 0.000 0.299 401 G HA3 0.606 4.580 3.960 0.024 0.000 0.299 401 G C -0.889 173.991 174.900 -0.034 0.000 1.315 401 G CA -0.939 44.157 45.100 -0.007 0.000 1.045 401 G HN 0.576 nan 8.290 nan 0.000 0.517 402 K N -0.472 119.896 120.400 -0.053 0.000 2.156 402 K HA 0.505 4.839 4.320 0.024 0.000 0.271 402 K C -0.811 175.733 176.600 -0.092 0.000 0.995 402 K CA -0.488 55.781 56.287 -0.031 0.000 0.890 402 K CB 2.243 34.740 32.500 -0.004 0.000 1.073 402 K HN 0.142 nan 8.250 nan 0.000 0.454 403 V N 5.519 125.301 119.914 -0.220 0.000 2.407 403 V HA 0.244 4.378 4.120 0.024 0.000 0.278 403 V C -1.977 173.895 176.094 -0.370 0.000 1.037 403 V CA -1.950 59.962 62.300 -0.647 0.000 0.900 403 V CB 1.032 32.312 31.823 -0.904 0.000 0.983 403 V HN 0.726 nan 8.190 nan 0.000 0.459 404 P HA 0.365 nan 4.420 nan 0.000 0.278 404 P C -1.464 175.735 177.300 -0.168 0.000 1.238 404 P CA -0.057 62.806 63.100 -0.395 0.000 0.794 404 P CB 0.818 32.409 31.700 -0.182 0.000 0.955 405 Y N -0.551 119.516 120.300 -0.388 0.000 2.656 405 Y HA 0.556 5.121 4.550 0.024 0.000 0.334 405 Y C -1.791 173.998 175.900 -0.185 0.000 1.179 405 Y CA -1.490 56.487 58.100 -0.205 0.000 1.050 405 Y CB 0.781 39.137 38.460 -0.174 0.000 1.308 405 Y HN 0.084 nan 8.280 nan 0.000 0.456 406 L N 4.470 125.587 121.223 -0.178 0.000 2.265 406 L HA 0.403 4.758 4.340 0.024 0.000 0.288 406 L C 0.047 176.766 176.870 -0.252 0.000 1.058 406 L CA -0.591 54.100 54.840 -0.248 0.000 0.809 406 L CB 1.198 43.204 42.059 -0.089 0.000 1.179 406 L HN 0.744 nan 8.230 nan 0.000 0.429 407 K N 1.851 122.024 120.400 -0.380 0.000 2.332 407 K HA 0.015 4.349 4.320 0.024 0.000 0.246 407 K C 0.950 177.513 176.600 -0.063 0.000 1.066 407 K CA -0.413 55.752 56.287 -0.202 0.000 0.898 407 K CB 0.640 33.009 32.500 -0.219 0.000 1.192 407 K HN 0.535 nan 8.250 nan 0.000 0.509 408 E N 1.037 121.225 120.200 -0.019 0.000 2.152 408 E HA -0.177 4.188 4.350 0.024 0.000 0.192 408 E C 1.162 177.748 176.600 -0.024 0.000 0.983 408 E CA 1.105 57.501 56.400 -0.007 0.000 0.818 408 E CB 0.020 29.724 29.700 0.007 0.000 0.758 408 E HN 0.521 nan 8.360 nan 0.000 0.467 409 N N -0.359 118.317 118.700 -0.039 0.000 2.521 409 N HA -0.010 4.744 4.740 0.024 0.000 0.188 409 N C 1.165 176.642 175.510 -0.054 0.000 1.146 409 N CA 1.130 54.156 53.050 -0.041 0.000 0.893 409 N CB 0.313 38.775 38.487 -0.041 0.000 0.975 409 N HN 0.273 nan 8.380 nan 0.000 0.451 410 G N -1.417 107.343 108.800 -0.067 0.000 2.253 410 G HA2 -0.223 3.751 3.960 0.024 0.000 0.251 410 G HA3 -0.223 3.751 3.960 0.024 0.000 0.251 410 G C 0.270 175.104 174.900 -0.111 0.000 0.998 410 G CA 0.291 45.345 45.100 -0.076 0.000 0.621 410 G HN 0.847 nan 8.290 nan 0.000 0.524 411 A N 0.007 122.750 122.820 -0.129 0.000 2.304 411 A HA 0.785 5.119 4.320 0.024 0.000 0.271 411 A C 0.314 177.758 177.584 -0.234 0.000 1.091 411 A CA 0.107 52.048 52.037 -0.161 0.000 0.812 411 A CB 0.873 19.794 19.000 -0.132 0.000 1.056 411 A HN 1.598 nan 8.150 nan 0.000 0.489 412 L N 1.382 122.457 121.223 -0.247 0.000 2.367 412 L HA 0.613 4.967 4.340 0.024 0.000 0.275 412 L C 0.477 177.067 176.870 -0.466 0.000 1.129 412 L CA 0.762 55.384 54.840 -0.362 0.000 0.839 412 L CB 0.579 42.478 42.059 -0.267 0.000 1.133 412 L HN 0.747 nan 8.230 nan 0.000 0.453 413 G N 3.467 111.779 108.800 -0.813 0.000 2.600 413 G HA2 0.671 4.646 3.960 0.024 0.000 0.303 413 G HA3 0.671 4.646 3.960 0.024 0.000 0.303 413 G C -1.686 172.724 174.900 -0.817 0.000 1.253 413 G CA -0.533 44.114 45.100 -0.755 0.000 0.974 413 G HN 0.448 nan 8.290 nan 0.000 0.483 414 F N -0.570 119.423 119.950 0.071 0.000 2.551 414 F HA 0.661 5.202 4.527 0.023 0.000 0.316 414 F C 0.508 176.426 175.800 0.198 0.000 1.089 414 F CA -0.766 57.324 58.000 0.149 0.000 0.915 414 F CB 2.727 41.750 39.000 0.039 0.000 1.186 414 F HN 0.109 nan 8.300 nan 0.000 0.456 415 R N 2.140 122.768 120.500 0.213 0.000 2.621 415 R HA 0.500 4.854 4.340 0.024 0.000 0.292 415 R C -1.032 175.256 176.300 -0.019 0.000 0.969 415 R CA -1.146 54.968 56.100 0.023 0.000 0.887 415 R CB 2.411 32.597 30.300 -0.190 0.000 1.180 415 R HN 0.666 nan 8.270 nan 0.000 0.450 416 L N 2.057 123.270 121.223 -0.016 0.000 2.525 416 L HA 0.081 4.435 4.340 0.024 0.000 0.278 416 L C 0.724 177.551 176.870 -0.072 0.000 1.218 416 L CA 0.513 55.333 54.840 -0.033 0.000 0.878 416 L CB 0.564 42.612 42.059 -0.019 0.000 1.127 416 L HN 0.806 nan 8.230 nan 0.000 0.492 417 G N 3.247 112.003 108.800 -0.072 0.000 2.583 417 G HA2 0.262 4.236 3.960 0.024 0.000 0.280 417 G HA3 0.262 4.236 3.960 0.024 0.000 0.280 417 G C -0.692 174.192 174.900 -0.028 0.000 1.376 417 G CA -0.634 44.418 45.100 -0.079 0.000 1.043 417 G HN 0.556 nan 8.290 nan 0.000 0.538 418 E N 0.378 120.580 120.200 0.003 0.000 2.413 418 E HA 0.055 4.419 4.350 0.024 0.000 0.263 418 E C 0.144 176.752 176.600 0.012 0.000 1.015 418 E CA 0.022 56.431 56.400 0.015 0.000 0.916 418 E CB 1.196 30.920 29.700 0.039 0.000 0.947 418 E HN 0.517 nan 8.360 nan 0.000 0.440 419 E N 1.854 122.057 120.200 0.005 0.000 2.415 419 E HA -0.039 4.325 4.350 0.024 0.000 0.263 419 E C -0.708 175.895 176.600 0.006 0.000 0.995 419 E CA 0.544 56.946 56.400 0.002 0.000 0.915 419 E CB 0.452 30.152 29.700 -0.001 0.000 0.951 419 E HN 0.228 nan 8.360 nan 0.000 0.449 420 E N 3.217 123.419 120.200 0.003 0.000 2.265 420 E HA 0.241 4.606 4.350 0.024 0.000 0.262 420 E C -1.333 175.263 176.600 -0.005 0.000 0.889 420 E CA -0.668 55.734 56.400 0.004 0.000 0.789 420 E CB 1.781 31.487 29.700 0.011 0.000 1.221 420 E HN 0.570 nan 8.360 nan 0.000 0.414 421 T N 1.852 116.403 114.554 -0.006 0.000 2.888 421 T HA 0.534 4.898 4.350 0.024 0.000 0.284 421 T C -0.243 174.451 174.700 -0.010 0.000 1.017 421 T CA -0.898 61.195 62.100 -0.012 0.000 1.022 421 T CB 2.193 71.055 68.868 -0.011 0.000 1.013 421 T HN 0.300 nan 8.240 nan 0.000 0.465 422 K N 1.097 121.489 120.400 -0.014 0.000 2.477 422 K HA 0.343 4.677 4.320 0.024 0.000 0.255 422 K C -1.537 175.061 176.600 -0.005 0.000 0.952 422 K CA -0.718 55.562 56.287 -0.011 0.000 0.826 422 K CB 1.899 34.385 32.500 -0.022 0.000 1.331 422 K HN 0.415 nan 8.250 nan 0.000 0.437 423 D N 4.049 124.454 120.400 0.008 0.000 2.487 423 D HA 0.133 4.787 4.640 0.024 0.000 0.243 423 D C -2.155 174.162 176.300 0.027 0.000 1.154 423 D CA -0.747 53.269 54.000 0.026 0.000 0.876 423 D CB 0.853 41.679 40.800 0.044 0.000 1.161 423 D HN 0.287 nan 8.370 nan 0.000 0.478 424 P HA -0.016 nan 4.420 nan 0.000 0.270 424 P C 0.644 178.001 177.300 0.096 0.000 1.223 424 P CA -0.422 62.701 63.100 0.037 0.000 0.785 424 P CB 0.798 32.517 31.700 0.031 0.000 0.923 425 V N 0.703 120.673 119.914 0.094 0.000 2.388 425 V HA -0.012 4.122 4.120 0.024 0.000 0.217 425 V C 0.183 176.470 176.094 0.322 0.000 1.085 425 V CA 1.196 63.601 62.300 0.176 0.000 1.092 425 V CB -0.789 31.067 31.823 0.055 0.000 0.695 425 V HN 0.484 nan 8.190 nan 0.000 0.482 426 Y N -0.210 120.163 120.300 0.122 0.000 2.472 426 Y HA 0.274 4.838 4.550 0.024 0.000 0.324 426 Y C 1.039 176.996 175.900 0.094 0.000 1.160 426 Y CA -0.510 57.675 58.100 0.143 0.000 1.381 426 Y CB 0.572 39.127 38.460 0.158 0.000 1.125 426 Y HN 0.247 nan 8.280 nan 0.000 0.541 427 T N 3.083 117.549 114.554 -0.148 0.000 2.803 427 T HA -0.112 4.252 4.350 0.024 0.000 0.269 427 T C -1.004 173.544 174.700 -0.253 0.000 1.052 427 T CA 1.736 63.701 62.100 -0.225 0.000 1.136 427 T CB -0.629 68.087 68.868 -0.253 0.000 0.864 427 T HN 0.401 nan 8.240 nan 0.000 0.467 428 P HA -0.124 nan 4.420 nan 0.000 0.216 428 P C 1.631 178.885 177.300 -0.077 0.000 1.157 428 P CA 0.973 63.845 63.100 -0.380 0.000 0.880 428 P CB -0.140 30.996 31.700 -0.939 0.000 0.791 429 M N -0.327 119.234 119.600 -0.064 0.000 2.144 429 M HA -0.074 4.420 4.480 0.024 0.000 0.260 429 M C 1.875 178.207 176.300 0.054 0.000 1.067 429 M CA 2.153 57.459 55.300 0.010 0.000 1.095 429 M CB -1.530 30.921 32.600 -0.248 0.000 1.365 429 M HN -0.094 nan 8.290 nan 0.000 0.406 430 G N -1.168 107.679 108.800 0.079 0.000 2.404 430 G HA2 -0.114 3.860 3.960 0.024 0.000 0.214 430 G HA3 -0.114 3.860 3.960 0.024 0.000 0.214 430 G C 1.433 176.546 174.900 0.355 0.000 1.189 430 G CA 0.943 46.189 45.100 0.243 0.000 0.789 430 G HN 0.389 nan 8.290 nan 0.000 0.533 431 V N 0.508 120.576 119.914 0.257 0.000 2.250 431 V HA -0.261 3.874 4.120 0.024 0.000 0.253 431 V C 2.533 178.602 176.094 -0.041 0.000 1.065 431 V CA 2.140 64.527 62.300 0.144 0.000 1.039 431 V CB -0.684 31.106 31.823 -0.055 0.000 0.647 431 V HN 0.336 nan 8.190 nan 0.000 0.446 432 F N -0.990 118.975 119.950 0.025 0.000 2.293 432 F HA 0.039 4.580 4.527 0.024 0.000 0.297 432 F C 2.129 178.024 175.800 0.159 0.000 1.089 432 F CA 1.107 59.128 58.000 0.034 0.000 1.377 432 F CB -0.371 38.666 39.000 0.062 0.000 1.051 432 F HN 0.047 nan 8.300 nan 0.000 0.511 433 I N -0.108 120.631 120.570 0.283 0.000 2.142 433 I HA -0.320 3.864 4.170 0.024 0.000 0.240 433 I C 2.658 178.868 176.117 0.155 0.000 1.078 433 I CA 1.988 63.394 61.300 0.176 0.000 1.343 433 I CB -0.803 37.175 38.000 -0.037 0.000 1.046 433 I HN 0.223 nan 8.210 nan 0.000 0.405 434 T N -0.856 113.746 114.554 0.081 0.000 2.867 434 T HA -0.050 4.314 4.350 0.024 0.000 0.268 434 T C 1.942 176.704 174.700 0.103 0.000 1.057 434 T CA 0.897 63.075 62.100 0.130 0.000 1.136 434 T CB -0.388 68.499 68.868 0.031 0.000 0.874 434 T HN 0.329 nan 8.240 nan 0.000 0.466 435 A N 0.994 123.816 122.820 0.003 0.000 1.858 435 A HA 0.020 4.354 4.320 0.024 0.000 0.216 435 A C 2.131 179.693 177.584 -0.036 0.000 1.190 435 A CA 1.353 53.314 52.037 -0.126 0.000 0.617 435 A CB -1.491 17.273 19.000 -0.393 0.000 0.827 435 A HN 0.734 nan 8.150 nan 0.000 0.443 436 W N -0.271 121.073 121.300 0.074 0.000 2.342 436 W HA -0.079 4.595 4.660 0.024 0.000 0.297 436 W C 2.758 179.351 176.519 0.123 0.000 1.213 436 W CA 1.186 58.594 57.345 0.106 0.000 1.251 436 W CB -0.104 29.409 29.460 0.088 0.000 1.136 436 W HN 0.442 nan 8.180 nan 0.000 0.526 437 A N 0.846 123.837 122.820 0.284 0.000 1.865 437 A HA -0.246 4.088 4.320 0.024 0.000 0.217 437 A C 1.965 179.611 177.584 0.104 0.000 1.191 437 A CA 2.006 54.105 52.037 0.103 0.000 0.623 437 A CB -0.851 18.152 19.000 0.005 0.000 0.826 437 A HN 0.303 nan 8.150 nan 0.000 0.444 438 R N -2.250 118.313 120.500 0.106 0.000 2.073 438 R HA -0.172 4.182 4.340 0.024 0.000 0.234 438 R C 2.206 178.496 176.300 -0.015 0.000 1.134 438 R CA 1.698 57.819 56.100 0.035 0.000 0.952 438 R CB -0.695 29.601 30.300 -0.006 0.000 0.850 438 R HN 0.697 nan 8.270 nan 0.000 0.433 439 Y N 1.986 122.250 120.300 -0.061 0.000 2.139 439 Y HA -0.298 4.266 4.550 0.024 0.000 0.282 439 Y C 2.231 178.173 175.900 0.070 0.000 1.179 439 Y CA 2.115 60.195 58.100 -0.032 0.000 1.161 439 Y CB -0.339 38.129 38.460 0.014 0.000 0.970 439 Y HN -0.025 nan 8.280 nan 0.000 0.511 440 T N -0.791 113.891 114.554 0.214 0.000 2.701 440 T HA -0.162 4.202 4.350 0.024 0.000 0.263 440 T C 1.751 176.581 174.700 0.216 0.000 1.040 440 T CA 2.064 64.275 62.100 0.186 0.000 1.147 440 T CB -0.630 68.335 68.868 0.162 0.000 0.865 440 T HN 0.400 nan 8.240 nan 0.000 0.426 441 T N 2.060 116.738 114.554 0.205 0.000 2.737 441 T HA 0.054 4.418 4.350 0.024 0.000 0.265 441 T C 2.027 176.785 174.700 0.098 0.000 1.038 441 T CA 0.894 63.193 62.100 0.331 0.000 1.144 441 T CB -0.419 68.643 68.868 0.323 0.000 0.866 441 T HN 0.251 nan 8.240 nan 0.000 0.434 442 I N 1.749 122.218 120.570 -0.169 0.000 2.179 442 I HA -0.210 3.974 4.170 0.024 0.000 0.242 442 I C 2.956 178.937 176.117 -0.228 0.000 1.088 442 I CA 1.632 62.697 61.300 -0.391 0.000 1.357 442 I CB -0.601 36.971 38.000 -0.713 0.000 1.051 442 I HN 0.421 nan 8.210 nan 0.000 0.409 443 T N -0.883 113.507 114.554 -0.274 0.000 2.821 443 T HA -0.097 4.268 4.350 0.024 0.000 0.267 443 T C 2.004 176.614 174.700 -0.150 0.000 1.046 443 T CA 0.932 62.888 62.100 -0.240 0.000 1.139 443 T CB -0.604 68.012 68.868 -0.420 0.000 0.871 443 T HN 0.334 nan 8.240 nan 0.000 0.454 444 A N 2.119 124.869 122.820 -0.117 0.000 1.883 444 A HA 0.252 4.586 4.320 0.024 0.000 0.217 444 A C 2.845 180.292 177.584 -0.228 0.000 1.186 444 A CA 2.091 53.990 52.037 -0.229 0.000 0.624 444 A CB -1.461 17.295 19.000 -0.406 0.000 0.822 444 A HN 0.757 nan 8.150 nan 0.000 0.444 445 A N -1.055 121.697 122.820 -0.114 0.000 1.877 445 A HA -0.188 4.146 4.320 0.024 0.000 0.216 445 A C 2.165 179.768 177.584 0.031 0.000 1.186 445 A CA 2.131 54.165 52.037 -0.006 0.000 0.620 445 A CB -0.557 18.535 19.000 0.153 0.000 0.822 445 A HN 0.536 nan 8.150 nan 0.000 0.443 446 Q N -0.035 119.768 119.800 0.004 0.000 2.124 446 Q HA -0.024 4.330 4.340 0.024 0.000 0.202 446 Q C 1.944 177.899 176.000 -0.076 0.000 0.977 446 Q CA 2.034 57.824 55.803 -0.021 0.000 0.850 446 Q CB -0.629 28.068 28.738 -0.069 0.000 0.901 446 Q HN 0.559 nan 8.270 nan 0.000 0.429 447 A N -0.982 121.777 122.820 -0.102 0.000 2.019 447 A HA -0.117 4.217 4.320 0.024 0.000 0.219 447 A C 1.570 179.096 177.584 -0.095 0.000 1.164 447 A CA 1.318 53.284 52.037 -0.118 0.000 0.644 447 A CB -0.450 18.465 19.000 -0.142 0.000 0.805 447 A HN 0.509 nan 8.150 nan 0.000 0.449 448 C N -1.143 118.107 119.300 -0.082 0.000 2.395 448 C HA 0.329 4.803 4.460 0.024 0.000 0.315 448 C C 1.457 176.458 174.990 0.019 0.000 1.399 448 C CA -0.789 58.192 59.018 -0.061 0.000 1.788 448 C CB -2.574 25.093 27.740 -0.122 0.000 2.564 448 C HN 0.638 nan 8.230 nan 0.000 0.552 449 Y N 3.477 123.730 120.300 -0.078 0.000 2.207 449 Y HA -0.236 4.328 4.550 0.024 0.000 0.287 449 Y C 1.866 177.775 175.900 0.015 0.000 1.156 449 Y CA 2.538 60.616 58.100 -0.037 0.000 1.182 449 Y CB -0.102 38.282 38.460 -0.127 0.000 0.979 449 Y HN 0.553 nan 8.280 nan 0.000 0.521 450 D N -1.233 119.159 120.400 -0.012 0.000 2.348 450 D HA -0.092 4.563 4.640 0.024 0.000 0.216 450 D C 1.583 177.859 176.300 -0.040 0.000 0.970 450 D CA 1.042 55.010 54.000 -0.054 0.000 0.889 450 D CB -0.320 40.484 40.800 0.007 0.000 0.912 450 D HN 0.366 nan 8.370 nan 0.000 0.524 451 R N -0.946 119.536 120.500 -0.031 0.000 2.419 451 R HA 0.293 4.647 4.340 0.024 0.000 0.235 451 R C -0.020 176.274 176.300 -0.011 0.000 0.899 451 R CA -0.628 55.468 56.100 -0.007 0.000 1.048 451 R CB 0.608 30.893 30.300 -0.024 0.000 1.182 451 R HN 0.122 nan 8.270 nan 0.000 0.544 452 I N 1.215 121.783 120.570 -0.003 0.000 2.496 452 I HA 0.031 4.215 4.170 0.024 0.000 0.285 452 I C 0.887 176.994 176.117 -0.016 0.000 1.080 452 I CA 0.286 61.598 61.300 0.021 0.000 1.404 452 I CB 0.726 38.806 38.000 0.134 0.000 1.403 452 I HN 0.026 nan 8.210 nan 0.000 0.539 453 I N 6.890 127.334 120.570 -0.210 0.000 3.194 453 I HA 0.157 4.342 4.170 0.024 0.000 0.271 453 I C -0.551 175.301 176.117 -0.441 0.000 1.150 453 I CA -0.067 60.929 61.300 -0.507 0.000 1.440 453 I CB 0.065 37.527 38.000 -0.898 0.000 1.276 453 I HN 0.523 nan 8.210 nan 0.000 0.457 454 Y N 0.301 120.305 120.300 -0.493 0.000 2.521 454 Y HA 0.517 5.081 4.550 0.024 0.000 0.332 454 Y C -1.361 174.417 175.900 -0.203 0.000 1.121 454 Y CA -1.503 56.287 58.100 -0.516 0.000 1.037 454 Y CB 1.514 39.464 38.460 -0.850 0.000 1.330 454 Y HN -0.060 nan 8.280 nan 0.000 0.452 455 C N 3.193 122.122 119.300 -0.619 0.000 2.667 455 C HA 0.689 5.163 4.460 0.024 0.000 0.323 455 C C -1.152 173.383 174.990 -0.758 0.000 1.214 455 C CA -0.491 58.303 59.018 -0.373 0.000 1.721 455 C CB 1.631 29.382 27.740 0.019 0.000 2.275 455 C HN 0.807 nan 8.230 nan 0.000 0.491 456 D N 0.151 120.418 120.400 -0.221 0.000 2.445 456 D HA 0.337 4.991 4.640 0.024 0.000 0.236 456 D C 0.521 176.890 176.300 0.115 0.000 1.315 456 D CA 0.337 54.287 54.000 -0.084 0.000 0.924 456 D CB 0.370 41.217 40.800 0.078 0.000 1.447 456 D HN 0.769 nan 8.370 nan 0.000 0.532 457 T N 1.749 116.379 114.554 0.127 0.000 13.275 457 T HA -0.284 4.080 4.350 0.024 0.000 0.419 457 T C 0.477 175.238 174.700 0.101 0.000 1.444 457 T CA 1.839 64.023 62.100 0.141 0.000 2.363 457 T CB -1.146 67.808 68.868 0.143 0.000 2.804 457 T HN 0.568 nan 8.240 nan 0.000 0.610 458 D N 1.568 122.032 120.400 0.106 0.000 2.740 458 D HA 0.463 5.118 4.640 0.024 0.000 0.301 458 D C -0.209 176.218 176.300 0.212 0.000 1.408 458 D CA 0.419 54.443 54.000 0.040 0.000 0.808 458 D CB 0.013 40.758 40.800 -0.092 0.000 1.128 458 D HN 0.811 nan 8.370 nan 0.000 0.465 459 S N -0.267 115.675 115.700 0.403 0.000 2.533 459 S HA 0.705 5.190 4.470 0.024 0.000 0.271 459 S C -0.697 174.235 174.600 0.552 0.000 1.143 459 S CA -1.061 57.483 58.200 0.574 0.000 0.891 459 S CB 1.178 64.668 63.200 0.484 0.000 1.105 459 S HN 0.353 nan 8.310 nan 0.000 0.468 460 I N -0.499 120.393 120.570 0.537 0.000 2.509 460 I HA 0.622 4.807 4.170 0.024 0.000 0.293 460 I C -0.642 175.743 176.117 0.446 0.000 1.020 460 I CA -0.824 60.691 61.300 0.358 0.000 1.088 460 I CB 1.710 39.733 38.000 0.039 0.000 1.267 460 I HN 0.721 nan 8.210 nan 0.000 0.430 461 H N 6.094 125.261 119.070 0.161 0.000 2.476 461 H HA 0.642 5.212 4.556 0.024 0.000 0.328 461 H C -0.852 174.487 175.328 0.019 0.000 1.073 461 H CA -0.824 55.302 56.048 0.131 0.000 1.229 461 H CB 2.075 31.891 29.762 0.090 0.000 1.432 461 H HN 0.396 nan 8.280 nan 0.000 0.477 462 L N 1.793 123.080 121.223 0.107 0.000 2.303 462 L HA 0.361 4.715 4.340 0.024 0.000 0.266 462 L C 0.758 177.572 176.870 -0.094 0.000 1.011 462 L CA -1.026 53.810 54.840 -0.006 0.000 0.818 462 L CB 2.115 44.196 42.059 0.037 0.000 1.326 462 L HN 0.628 nan 8.230 nan 0.000 0.435 463 T N -1.636 112.844 114.554 -0.124 0.000 2.899 463 T HA 0.679 5.043 4.350 0.024 0.000 0.284 463 T C 0.305 174.943 174.700 -0.105 0.000 1.004 463 T CA 0.129 62.156 62.100 -0.122 0.000 1.043 463 T CB 1.597 70.427 68.868 -0.063 0.000 1.013 463 T HN 1.134 nan 8.240 nan 0.000 0.518 464 G N 0.684 109.416 108.800 -0.112 0.000 2.829 464 G HA2 -0.017 3.957 3.960 0.024 0.000 0.628 464 G HA3 -0.017 3.957 3.960 0.024 0.000 0.628 464 G C 0.397 175.207 174.900 -0.150 0.000 1.412 464 G CA 0.424 45.465 45.100 -0.098 0.000 0.864 464 G HN 1.937 nan 8.290 nan 0.000 0.544 465 T N -2.848 111.635 114.554 -0.118 0.000 3.004 465 T HA 0.428 4.792 4.350 0.024 0.000 0.266 465 T C 0.555 175.181 174.700 -0.122 0.000 0.986 465 T CA 1.032 63.049 62.100 -0.139 0.000 0.902 465 T CB 0.505 69.309 68.868 -0.105 0.000 1.118 465 T HN 0.675 nan 8.240 nan 0.000 0.522 466 E N 1.131 121.282 120.200 -0.082 0.000 2.277 466 E HA 0.433 4.797 4.350 0.024 0.000 0.274 466 E C -0.556 176.022 176.600 -0.038 0.000 1.022 466 E CA -0.726 55.641 56.400 -0.055 0.000 0.853 466 E CB 1.117 30.797 29.700 -0.034 0.000 1.086 466 E HN 0.438 nan 8.360 nan 0.000 0.397 467 I N 5.713 126.277 120.570 -0.009 0.000 2.436 467 I HA 0.085 4.269 4.170 0.024 0.000 0.289 467 I C -1.986 174.121 176.117 -0.015 0.000 1.083 467 I CA -1.801 59.533 61.300 0.057 0.000 1.372 467 I CB 0.289 38.344 38.000 0.092 0.000 1.408 467 I HN 0.236 nan 8.210 nan 0.000 0.516 468 P HA -0.030 nan 4.420 nan 0.000 0.262 468 P C 0.102 177.339 177.300 -0.105 0.000 1.182 468 P CA 0.082 63.121 63.100 -0.102 0.000 0.761 468 P CB 0.528 32.129 31.700 -0.165 0.000 0.795 469 D N 1.917 122.274 120.400 -0.073 0.000 2.149 469 D HA -0.125 4.529 4.640 0.024 0.000 0.198 469 D C 1.832 178.084 176.300 -0.081 0.000 0.990 469 D CA 0.923 54.887 54.000 -0.061 0.000 0.839 469 D CB -0.320 40.455 40.800 -0.042 0.000 0.948 469 D HN 0.108 nan 8.370 nan 0.000 0.460 470 V N 1.495 121.349 119.914 -0.101 0.000 2.594 470 V HA -0.159 3.975 4.120 0.024 0.000 0.253 470 V C 1.903 177.912 176.094 -0.141 0.000 1.069 470 V CA 1.274 63.509 62.300 -0.108 0.000 1.082 470 V CB -0.240 31.515 31.823 -0.113 0.000 0.680 470 V HN 0.324 nan 8.190 nan 0.000 0.469 471 I N -4.501 115.951 120.570 -0.197 0.000 4.082 471 I HA 0.260 4.444 4.170 0.024 0.000 0.337 471 I C 1.930 177.943 176.117 -0.174 0.000 1.352 471 I CA 0.230 61.382 61.300 -0.246 0.000 1.097 471 I CB -0.347 37.370 38.000 -0.472 0.000 1.048 471 I HN 0.008 nan 8.210 nan 0.000 0.393 472 K N 1.920 122.252 120.400 -0.114 0.000 2.089 472 K HA -0.236 4.098 4.320 0.024 0.000 0.210 472 K C 1.193 177.789 176.600 -0.007 0.000 1.048 472 K CA 2.680 58.941 56.287 -0.043 0.000 0.926 472 K CB -0.086 32.401 32.500 -0.021 0.000 0.714 472 K HN 0.384 nan 8.250 nan 0.000 0.448 473 D N -0.146 120.238 120.400 -0.026 0.000 2.312 473 D HA -0.070 4.584 4.640 0.024 0.000 0.211 473 D C 1.060 177.325 176.300 -0.058 0.000 0.964 473 D CA 0.884 54.875 54.000 -0.014 0.000 0.877 473 D CB 0.081 40.866 40.800 -0.025 0.000 0.924 473 D HN 0.455 nan 8.370 nan 0.000 0.515 474 I N -2.355 118.167 120.570 -0.080 0.000 3.856 474 I HA 0.266 4.451 4.170 0.024 0.000 0.333 474 I C -0.572 175.605 176.117 0.100 0.000 1.525 474 I CA -0.367 60.839 61.300 -0.157 0.000 1.173 474 I CB 0.396 38.357 38.000 -0.065 0.000 1.175 474 I HN -0.355 nan 8.210 nan 0.000 0.424 475 V N 1.672 121.696 119.914 0.184 0.000 2.448 475 V HA 0.544 4.678 4.120 0.024 0.000 0.295 475 V C -1.146 175.164 176.094 0.361 0.000 1.025 475 V CA -0.100 62.387 62.300 0.311 0.000 0.859 475 V CB 1.774 33.736 31.823 0.232 0.000 0.988 475 V HN 0.477 nan 8.190 nan 0.000 0.431 476 D N 4.490 125.118 120.400 0.379 0.000 2.769 476 D HA 0.469 5.123 4.640 0.024 0.000 0.219 476 D C -2.452 173.961 176.300 0.188 0.000 1.245 476 D CA -0.960 53.191 54.000 0.251 0.000 0.801 476 D CB 3.077 43.991 40.800 0.189 0.000 1.598 476 D HN 0.214 nan 8.370 nan 0.000 0.485 477 P HA 0.112 nan 4.420 nan 0.000 0.231 477 P C 0.283 177.611 177.300 0.046 0.000 1.168 477 P CA 0.804 63.959 63.100 0.092 0.000 0.779 477 P CB 0.418 32.154 31.700 0.060 0.000 0.844 478 K N -1.309 119.094 120.400 0.004 0.000 2.485 478 K HA 0.147 4.482 4.320 0.024 0.000 0.200 478 K C 0.433 176.978 176.600 -0.093 0.000 1.344 478 K CA -0.214 56.051 56.287 -0.037 0.000 0.948 478 K CB 0.257 32.728 32.500 -0.048 0.000 1.454 478 K HN -0.084 nan 8.250 nan 0.000 0.502 479 K N 2.378 122.664 120.400 -0.191 0.000 2.543 479 K HA -0.088 4.246 4.320 0.024 0.000 0.279 479 K C -0.134 176.308 176.600 -0.263 0.000 1.001 479 K CA -0.083 55.976 56.287 -0.379 0.000 1.088 479 K CB 0.182 32.132 32.500 -0.916 0.000 0.863 479 K HN -0.017 nan 8.250 nan 0.000 0.488 480 L N 2.706 123.815 121.223 -0.190 0.000 2.513 480 L HA 0.048 4.402 4.340 0.024 0.000 0.272 480 L C 1.174 178.074 176.870 0.049 0.000 1.187 480 L CA 1.727 56.519 54.840 -0.080 0.000 0.895 480 L CB 0.190 42.172 42.059 -0.128 0.000 1.147 480 L HN 0.929 nan 8.230 nan 0.000 0.483 481 G N 2.427 111.251 108.800 0.038 0.000 2.184 481 G HA2 -0.334 3.640 3.960 0.024 0.000 0.264 481 G HA3 -0.334 3.640 3.960 0.024 0.000 0.264 481 G C 0.232 175.199 174.900 0.112 0.000 0.975 481 G CA 0.536 45.663 45.100 0.044 0.000 0.642 481 G HN 0.633 nan 8.290 nan 0.000 0.536 482 Y N -1.544 118.693 120.300 -0.107 0.000 2.374 482 Y HA 0.560 5.124 4.550 0.024 0.000 0.322 482 Y C 0.624 176.463 175.900 -0.101 0.000 1.275 482 Y CA -1.461 56.615 58.100 -0.039 0.000 1.307 482 Y CB 0.784 39.279 38.460 0.058 0.000 1.282 482 Y HN 0.128 nan 8.280 nan 0.000 0.509 483 W N 1.065 122.495 121.300 0.216 0.000 2.365 483 W HA 0.587 5.261 4.660 0.024 0.000 0.316 483 W C -0.533 176.156 176.519 0.283 0.000 1.164 483 W CA -0.445 57.025 57.345 0.208 0.000 1.204 483 W CB 0.973 30.503 29.460 0.117 0.000 1.213 483 W HN 0.379 nan 8.180 nan 0.000 0.539 484 A N 2.524 125.642 122.820 0.497 0.000 2.304 484 A HA 0.264 4.598 4.320 0.024 0.000 0.323 484 A C -0.838 177.016 177.584 0.451 0.000 1.195 484 A CA -0.729 51.544 52.037 0.392 0.000 0.826 484 A CB 0.223 19.354 19.000 0.219 0.000 1.184 484 A HN 0.787 nan 8.150 nan 0.000 0.496 485 H N 2.099 121.299 119.070 0.216 0.000 3.291 485 H HA 0.095 4.665 4.556 0.024 0.000 0.256 485 H C 0.665 175.928 175.328 -0.109 0.000 1.315 485 H CA 0.314 56.257 56.048 -0.175 0.000 1.521 485 H CB 0.381 30.034 29.762 -0.182 0.000 1.621 485 H HN 0.919 nan 8.280 nan 0.000 0.498 486 E N 2.801 122.987 120.200 -0.024 0.000 2.250 486 E HA 0.006 4.370 4.350 0.024 0.000 0.192 486 E C -0.120 176.401 176.600 -0.133 0.000 0.986 486 E CA 0.062 56.431 56.400 -0.052 0.000 0.849 486 E CB 0.554 30.281 29.700 0.044 0.000 0.797 486 E HN 0.415 nan 8.360 nan 0.000 0.482 487 S N -1.497 114.124 115.700 -0.132 0.000 2.607 487 S HA 0.569 5.053 4.470 0.024 0.000 0.273 487 S C -1.500 173.089 174.600 -0.018 0.000 1.148 487 S CA -0.701 57.455 58.200 -0.072 0.000 0.833 487 S CB 2.004 65.212 63.200 0.014 0.000 1.130 487 S HN -0.023 nan 8.310 nan 0.000 0.470 488 T N 3.178 117.759 114.554 0.044 0.000 3.172 488 T HA 0.557 4.921 4.350 0.024 0.000 0.320 488 T C -1.258 173.528 174.700 0.143 0.000 1.085 488 T CA -0.493 61.639 62.100 0.053 0.000 1.052 488 T CB 0.476 69.419 68.868 0.126 0.000 1.107 488 T HN 0.554 nan 8.240 nan 0.000 0.458 489 F N 0.621 120.597 119.950 0.044 0.000 2.579 489 F HA 0.752 5.293 4.527 0.024 0.000 0.324 489 F C 1.035 176.701 175.800 -0.223 0.000 1.058 489 F CA -1.407 56.497 58.000 -0.161 0.000 0.944 489 F CB 1.554 40.495 39.000 -0.098 0.000 1.245 489 F HN 0.461 nan 8.300 nan 0.000 0.477 490 K N 0.322 120.550 120.400 -0.287 0.000 2.141 490 K HA 0.192 4.527 4.320 0.024 0.000 0.202 490 K C 0.104 176.721 176.600 0.027 0.000 1.045 490 K CA 0.623 56.733 56.287 -0.295 0.000 0.971 490 K CB 0.328 32.476 32.500 -0.587 0.000 0.795 490 K HN 0.929 nan 8.250 nan 0.000 0.459 491 R N -1.266 119.293 120.500 0.098 0.000 2.846 491 R HA 0.766 5.120 4.340 0.024 0.000 0.263 491 R C -1.598 174.887 176.300 0.309 0.000 1.080 491 R CA -0.996 55.217 56.100 0.188 0.000 0.961 491 R CB 1.638 31.908 30.300 -0.050 0.000 1.231 491 R HN 0.022 nan 8.270 nan 0.000 0.465 492 A N 0.290 123.325 122.820 0.359 0.000 2.549 492 A HA 0.579 4.913 4.320 0.024 0.000 0.291 492 A C -1.806 175.869 177.584 0.152 0.000 1.034 492 A CA -0.882 51.227 52.037 0.121 0.000 0.655 492 A CB 1.878 20.612 19.000 -0.443 0.000 1.299 492 A HN 0.661 nan 8.150 nan 0.000 0.427 493 K N 0.844 121.172 120.400 -0.121 0.000 2.565 493 K HA 0.611 4.945 4.320 0.024 0.000 0.249 493 K C -2.206 174.356 176.600 -0.062 0.000 0.958 493 K CA -0.373 55.924 56.287 0.018 0.000 0.806 493 K CB 1.250 33.754 32.500 0.007 0.000 1.194 493 K HN 0.619 nan 8.250 nan 0.000 0.434 494 Y N 4.062 124.363 120.300 0.002 0.000 2.352 494 Y HA 0.310 4.875 4.550 0.024 0.000 0.339 494 Y C 0.755 176.640 175.900 -0.024 0.000 0.992 494 Y CA -0.671 57.418 58.100 -0.018 0.000 1.100 494 Y CB 1.469 39.834 38.460 -0.159 0.000 1.192 494 Y HN 0.457 nan 8.280 nan 0.000 0.458 495 L N 1.731 122.986 121.223 0.053 0.000 2.453 495 L HA 0.349 4.703 4.340 0.024 0.000 0.190 495 L C 0.772 177.640 176.870 -0.003 0.000 1.093 495 L CA 0.337 55.134 54.840 -0.072 0.000 0.834 495 L CB 0.218 42.085 42.059 -0.319 0.000 1.090 495 L HN 0.458 nan 8.230 nan 0.000 0.489 496 R N -0.513 120.009 120.500 0.037 0.000 2.906 496 R HA 0.364 4.718 4.340 0.024 0.000 0.258 496 R C -0.929 175.477 176.300 0.176 0.000 1.156 496 R CA -0.802 55.344 56.100 0.077 0.000 0.996 496 R CB 0.647 30.971 30.300 0.040 0.000 1.259 496 R HN 0.009 nan 8.270 nan 0.000 0.462 497 Q N 1.481 121.397 119.800 0.193 0.000 2.386 497 Q HA 0.014 4.369 4.340 0.024 0.000 0.282 497 Q C -0.270 175.903 176.000 0.288 0.000 1.050 497 Q CA 0.768 56.747 55.803 0.293 0.000 0.918 497 Q CB 0.262 29.113 28.738 0.189 0.000 1.266 497 Q HN 0.310 nan 8.270 nan 0.000 0.423 498 K N 0.300 120.952 120.400 0.421 0.000 3.003 498 K HA -0.220 4.114 4.320 0.024 0.000 0.257 498 K C -0.900 175.758 176.600 0.096 0.000 0.958 498 K CA 0.870 57.325 56.287 0.281 0.000 0.707 498 K CB -1.659 30.958 32.500 0.195 0.000 1.279 498 K HN 0.571 nan 8.250 nan 0.000 0.479 499 T N 0.445 115.056 114.554 0.095 0.000 3.262 499 T HA 0.403 4.767 4.350 0.024 0.000 0.336 499 T C -1.115 173.624 174.700 0.064 0.000 0.911 499 T CA -0.876 61.239 62.100 0.024 0.000 1.154 499 T CB 0.184 69.085 68.868 0.056 0.000 1.007 499 T HN 0.329 nan 8.240 nan 0.000 0.488 500 Y N 1.043 121.252 120.300 -0.152 0.000 2.656 500 Y HA 0.832 5.397 4.550 0.024 0.000 0.334 500 Y C -1.532 173.955 175.900 -0.690 0.000 1.179 500 Y CA -2.002 55.831 58.100 -0.443 0.000 1.050 500 Y CB 1.036 38.765 38.460 -1.218 0.000 1.308 500 Y HN 0.509 nan 8.280 nan 0.000 0.456 501 I N -0.119 120.037 120.570 -0.689 0.000 2.785 501 I HA 0.822 5.006 4.170 0.024 0.000 0.302 501 I C -1.454 174.320 176.117 -0.572 0.000 1.069 501 I CA -1.219 59.558 61.300 -0.870 0.000 1.045 501 I CB 2.633 39.879 38.000 -1.257 0.000 1.236 501 I HN 0.794 nan 8.210 nan 0.000 0.429 502 Q N 2.153 121.706 119.800 -0.411 0.000 2.377 502 Q HA 0.362 4.716 4.340 0.024 0.000 0.279 502 Q C -1.849 174.184 176.000 0.056 0.000 1.049 502 Q CA -0.821 54.852 55.803 -0.217 0.000 0.825 502 Q CB 2.942 31.465 28.738 -0.359 0.000 1.401 502 Q HN 0.544 nan 8.270 nan 0.000 0.404 503 D N 2.288 122.781 120.400 0.156 0.000 2.485 503 D HA 0.258 4.912 4.640 0.024 0.000 0.221 503 D C -0.365 175.885 176.300 -0.083 0.000 1.112 503 D CA -0.140 53.904 54.000 0.073 0.000 0.911 503 D CB 0.524 41.297 40.800 -0.045 0.000 1.019 503 D HN 0.322 nan 8.370 nan 0.000 0.516 504 I N 2.387 122.931 120.570 -0.043 0.000 2.496 504 I HA 0.047 4.232 4.170 0.024 0.000 0.285 504 I C 0.649 176.692 176.117 -0.124 0.000 1.080 504 I CA -0.457 60.820 61.300 -0.039 0.000 1.404 504 I CB -0.103 37.909 38.000 0.020 0.000 1.403 504 I HN 0.189 nan 8.210 nan 0.000 0.539 505 Y N 6.064 126.322 120.300 -0.069 0.000 2.511 505 Y HA 0.143 4.708 4.550 0.024 0.000 0.332 505 Y C 0.667 176.550 175.900 -0.028 0.000 1.177 505 Y CA 0.228 58.233 58.100 -0.157 0.000 1.422 505 Y CB 0.527 38.846 38.460 -0.235 0.000 1.271 505 Y HN 0.390 nan 8.280 nan 0.000 0.550 506 M N 3.578 123.311 119.600 0.221 0.000 2.550 506 M HA 0.416 4.910 4.480 0.024 0.000 0.292 506 M C -1.026 175.395 176.300 0.200 0.000 1.221 506 M CA -1.072 54.326 55.300 0.164 0.000 0.873 506 M CB 2.646 35.313 32.600 0.112 0.000 1.727 506 M HN 0.636 nan 8.290 nan 0.000 0.459 507 K N -0.131 120.342 120.400 0.121 0.000 2.477 507 K HA 0.623 4.957 4.320 0.024 0.000 0.255 507 K C -1.007 175.623 176.600 0.051 0.000 0.952 507 K CA -0.804 55.537 56.287 0.090 0.000 0.826 507 K CB 2.493 35.037 32.500 0.073 0.000 1.331 507 K HN 0.558 nan 8.250 nan 0.000 0.437 508 E N 1.692 121.913 120.200 0.035 0.000 2.129 508 E HA 0.178 4.542 4.350 0.024 0.000 0.283 508 E C -1.090 175.517 176.600 0.012 0.000 1.080 508 E CA -0.531 55.882 56.400 0.020 0.000 0.867 508 E CB 1.525 31.233 29.700 0.013 0.000 1.056 508 E HN 0.259 nan 8.360 nan 0.000 0.404 509 V N 4.891 124.811 119.914 0.010 0.000 2.376 509 V HA 0.083 4.218 4.120 0.024 0.000 0.287 509 V C -0.238 175.857 176.094 0.002 0.000 1.015 509 V CA -0.515 61.787 62.300 0.004 0.000 0.834 509 V CB 1.449 33.273 31.823 0.002 0.000 1.001 509 V HN 0.800 nan 8.190 nan 0.000 0.428 510 D N 4.089 124.489 120.400 -0.000 0.000 3.017 510 D HA -0.176 4.478 4.640 0.024 0.000 0.220 510 D C 1.258 177.558 176.300 -0.000 0.000 1.141 510 D CA 1.391 55.390 54.000 -0.001 0.000 0.848 510 D CB -1.195 39.604 40.800 -0.003 0.000 1.102 510 D HN 1.373 nan 8.370 nan 0.000 0.427 511 G N -0.196 108.605 108.800 0.001 0.000 2.168 511 G HA2 -0.367 3.607 3.960 0.024 0.000 0.263 511 G HA3 -0.367 3.607 3.960 0.024 0.000 0.263 511 G C 0.253 175.156 174.900 0.005 0.000 0.977 511 G CA 1.077 46.179 45.100 0.003 0.000 0.659 511 G HN 0.475 nan 8.290 nan 0.000 0.533 512 K N -0.443 119.961 120.400 0.006 0.000 2.267 512 K HA 0.679 5.014 4.320 0.024 0.000 0.246 512 K C 0.439 177.046 176.600 0.013 0.000 0.954 512 K CA -0.975 55.317 56.287 0.008 0.000 0.824 512 K CB 1.712 34.215 32.500 0.004 0.000 1.167 512 K HN 0.097 nan 8.250 nan 0.000 0.431 513 L N 2.008 123.241 121.223 0.017 0.000 2.397 513 L HA 0.426 4.780 4.340 0.024 0.000 0.271 513 L C -0.206 176.676 176.870 0.019 0.000 1.148 513 L CA -0.351 54.504 54.840 0.025 0.000 0.825 513 L CB 1.060 43.137 42.059 0.030 0.000 1.117 513 L HN 0.319 nan 8.230 nan 0.000 0.456 514 V N 1.870 121.799 119.914 0.025 0.000 3.167 514 V HA 0.181 4.315 4.120 0.024 0.000 0.293 514 V C -1.058 175.048 176.094 0.019 0.000 1.379 514 V CA -0.746 61.563 62.300 0.014 0.000 1.019 514 V CB 2.621 34.447 31.823 0.006 0.000 1.115 514 V HN 0.757 nan 8.190 nan 0.000 0.442 515 E N 2.882 123.083 120.200 0.002 0.000 2.606 515 E HA 0.413 4.778 4.350 0.024 0.000 0.248 515 E C 0.479 177.078 176.600 -0.001 0.000 1.005 515 E CA 1.255 57.653 56.400 -0.004 0.000 0.946 515 E CB 0.689 30.360 29.700 -0.049 0.000 0.928 515 E HN 0.870 nan 8.360 nan 0.000 0.494 516 G N 1.572 110.402 108.800 0.050 0.000 2.671 516 G HA2 0.599 4.573 3.960 0.024 0.000 0.275 516 G HA3 0.599 4.573 3.960 0.024 0.000 0.275 516 G C -0.578 174.333 174.900 0.018 0.000 1.368 516 G CA -0.160 44.976 45.100 0.061 0.000 1.044 516 G HN 0.547 nan 8.290 nan 0.000 0.543 517 S N -1.550 114.127 115.700 -0.039 0.000 2.618 517 S HA 0.605 5.089 4.470 0.024 0.000 0.277 517 S C -2.476 171.854 174.600 -0.451 0.000 1.138 517 S CA -1.027 57.047 58.200 -0.211 0.000 0.844 517 S CB 2.143 65.278 63.200 -0.109 0.000 1.127 517 S HN 0.169 nan 8.310 nan 0.000 0.474 518 P HA 0.058 nan 4.420 nan 0.000 0.223 518 P C 0.595 177.813 177.300 -0.136 0.000 1.151 518 P CA 0.843 63.460 63.100 -0.806 0.000 0.787 518 P CB 0.012 31.311 31.700 -0.669 0.000 0.788 519 D N -0.425 119.910 120.400 -0.108 0.000 2.103 519 D HA -0.090 4.564 4.640 0.024 0.000 0.199 519 D C 0.244 176.537 176.300 -0.011 0.000 0.978 519 D CA 1.313 55.291 54.000 -0.037 0.000 0.829 519 D CB -0.097 40.678 40.800 -0.041 0.000 0.981 519 D HN 0.161 nan 8.370 nan 0.000 0.464 520 D N -0.495 119.905 120.400 0.000 0.000 2.462 520 D HA 0.189 4.843 4.640 0.024 0.000 0.249 520 D C -1.361 175.001 176.300 0.103 0.000 1.117 520 D CA -0.547 53.461 54.000 0.013 0.000 0.900 520 D CB -0.102 40.697 40.800 -0.001 0.000 1.039 520 D HN 0.059 nan 8.370 nan 0.000 0.516 521 Y N -0.085 120.192 120.300 -0.038 0.000 2.521 521 Y HA 0.429 4.993 4.550 0.024 0.000 0.332 521 Y C -0.291 175.631 175.900 0.037 0.000 1.121 521 Y CA -0.824 57.287 58.100 0.019 0.000 1.037 521 Y CB 1.089 39.594 38.460 0.076 0.000 1.330 521 Y HN 0.010 nan 8.280 nan 0.000 0.452 522 T N -1.425 113.165 114.554 0.061 0.000 3.004 522 T HA 0.360 4.724 4.350 0.024 0.000 0.266 522 T C -0.486 174.285 174.700 0.118 0.000 0.986 522 T CA 0.223 62.302 62.100 -0.035 0.000 0.902 522 T CB 0.402 69.257 68.868 -0.022 0.000 1.118 522 T HN 0.549 nan 8.240 nan 0.000 0.522 523 D N 0.070 120.648 120.400 0.295 0.000 2.596 523 D HA 0.564 5.219 4.640 0.024 0.000 0.234 523 D C -1.380 175.072 176.300 0.253 0.000 1.181 523 D CA -0.699 53.440 54.000 0.232 0.000 0.856 523 D CB 2.131 43.008 40.800 0.128 0.000 1.498 523 D HN -0.017 nan 8.370 nan 0.000 0.446 524 I N 1.410 122.062 120.570 0.136 0.000 2.436 524 I HA 0.273 4.457 4.170 0.024 0.000 0.289 524 I C -0.021 176.124 176.117 0.047 0.000 1.010 524 I CA -0.649 60.672 61.300 0.035 0.000 1.098 524 I CB 1.738 39.724 38.000 -0.023 0.000 1.266 524 I HN 0.175 nan 8.210 nan 0.000 0.434 525 K N 6.583 127.005 120.400 0.036 0.000 2.265 525 K HA 0.305 4.639 4.320 0.024 0.000 0.267 525 K C -1.217 175.438 176.600 0.092 0.000 0.994 525 K CA -0.485 55.836 56.287 0.055 0.000 0.860 525 K CB 1.205 33.720 32.500 0.025 0.000 1.099 525 K HN 0.332 nan 8.250 nan 0.000 0.448 526 F N 3.678 123.602 119.950 -0.043 0.000 2.438 526 F HA 0.214 4.755 4.527 0.024 0.000 0.360 526 F C -0.272 175.470 175.800 -0.096 0.000 1.118 526 F CA -0.057 57.915 58.000 -0.047 0.000 1.164 526 F CB 0.910 39.893 39.000 -0.027 0.000 1.131 526 F HN 0.366 nan 8.300 nan 0.000 0.527 527 S N 5.233 120.610 115.700 -0.538 0.000 2.454 527 S HA 0.773 5.258 4.470 0.024 0.000 0.306 527 S C -1.351 172.749 174.600 -0.833 0.000 1.100 527 S CA -0.570 57.309 58.200 -0.537 0.000 1.087 527 S CB 1.059 64.093 63.200 -0.278 0.000 1.019 527 S HN 0.424 nan 8.310 nan 0.000 0.480 528 V N 6.377 125.841 119.914 -0.750 0.000 2.409 528 V HA 0.530 4.665 4.120 0.024 0.000 0.290 528 V C -0.856 174.870 176.094 -0.615 0.000 1.017 528 V CA -0.799 61.016 62.300 -0.808 0.000 0.841 528 V CB 1.728 33.094 31.823 -0.763 0.000 1.003 528 V HN 0.719 nan 8.190 nan 0.000 0.426 529 K N 3.506 123.456 120.400 -0.750 0.000 2.530 529 K HA 0.466 4.800 4.320 0.024 0.000 0.230 529 K C -0.913 175.367 176.600 -0.534 0.000 1.002 529 K CA -0.145 55.747 56.287 -0.659 0.000 1.014 529 K CB 1.558 33.502 32.500 -0.925 0.000 1.286 529 K HN 0.694 nan 8.250 nan 0.000 0.480 530 C N 1.917 121.048 119.300 -0.282 0.000 2.381 530 C HA 0.653 5.128 4.460 0.024 0.000 0.328 530 C C 0.360 175.345 174.990 -0.009 0.000 1.190 530 C CA -0.755 58.205 59.018 -0.097 0.000 1.369 530 C CB -0.083 27.664 27.740 0.012 0.000 2.029 530 C HN 0.879 nan 8.230 nan 0.000 0.448 531 A N 4.405 127.258 122.820 0.054 0.000 2.561 531 A HA 0.440 4.774 4.320 0.024 0.000 0.251 531 A C 1.596 179.277 177.584 0.162 0.000 1.062 531 A CA 1.339 53.430 52.037 0.090 0.000 0.761 531 A CB -0.663 18.402 19.000 0.108 0.000 0.986 531 A HN 2.724 nan 8.150 nan 0.000 0.510 532 G N 1.557 110.415 108.800 0.096 0.000 2.213 532 G HA2 -0.246 3.728 3.960 0.024 0.000 0.236 532 G HA3 -0.246 3.728 3.960 0.024 0.000 0.236 532 G C 0.384 175.220 174.900 -0.106 0.000 0.991 532 G CA 0.344 45.517 45.100 0.121 0.000 0.629 532 G HN 1.026 nan 8.290 nan 0.000 0.517 533 M N 3.072 122.513 119.600 -0.265 0.000 2.185 533 M HA 0.500 4.994 4.480 0.024 0.000 0.357 533 M C 1.179 177.304 176.300 -0.292 0.000 1.260 533 M CA 0.403 55.385 55.300 -0.530 0.000 1.124 533 M CB 0.707 33.033 32.600 -0.457 0.000 1.600 533 M HN 0.450 nan 8.290 nan 0.000 0.467 534 T N 0.301 114.692 114.554 -0.272 0.000 2.902 534 T HA 0.238 4.602 4.350 0.024 0.000 0.280 534 T C 0.703 175.319 174.700 -0.140 0.000 0.992 534 T CA -0.948 61.054 62.100 -0.163 0.000 1.015 534 T CB 0.847 69.638 68.868 -0.129 0.000 1.044 534 T HN 0.656 nan 8.240 nan 0.000 0.520 535 D N 0.551 120.889 120.400 -0.103 0.000 2.133 535 D HA -0.174 4.481 4.640 0.024 0.000 0.192 535 D C 1.838 178.098 176.300 -0.067 0.000 1.001 535 D CA 1.671 55.620 54.000 -0.084 0.000 0.844 535 D CB -0.191 40.573 40.800 -0.060 0.000 0.944 535 D HN 0.785 nan 8.370 nan 0.000 0.447 536 K N 0.793 121.158 120.400 -0.058 0.000 2.032 536 K HA -0.112 4.222 4.320 0.024 0.000 0.209 536 K C 2.237 178.822 176.600 -0.025 0.000 1.048 536 K CA 1.048 57.315 56.287 -0.034 0.000 0.927 536 K CB -0.260 32.222 32.500 -0.029 0.000 0.712 536 K HN 0.104 nan 8.250 nan 0.000 0.441 537 I N 0.740 121.279 120.570 -0.052 0.000 2.394 537 I HA -0.231 3.954 4.170 0.024 0.000 0.251 537 I C 2.209 178.329 176.117 0.005 0.000 1.136 537 I CA 1.122 62.413 61.300 -0.015 0.000 1.425 537 I CB -0.226 37.710 38.000 -0.107 0.000 1.079 537 I HN 0.187 nan 8.210 nan 0.000 0.425 538 K N 1.566 121.919 120.400 -0.079 0.000 2.063 538 K HA -0.187 4.147 4.320 0.024 0.000 0.208 538 K C 1.942 178.513 176.600 -0.048 0.000 1.048 538 K CA 1.529 57.746 56.287 -0.117 0.000 0.928 538 K CB -0.101 32.298 32.500 -0.169 0.000 0.713 538 K HN 0.421 nan 8.250 nan 0.000 0.442 539 K N 0.284 120.680 120.400 -0.007 0.000 2.486 539 K HA -0.015 4.319 4.320 0.024 0.000 0.194 539 K C 1.068 177.716 176.600 0.079 0.000 1.033 539 K CA 0.731 57.042 56.287 0.039 0.000 1.004 539 K CB 0.273 32.788 32.500 0.026 0.000 0.798 539 K HN 0.060 nan 8.250 nan 0.000 0.495 540 E N 1.480 121.746 120.200 0.109 0.000 2.216 540 E HA -0.006 4.359 4.350 0.024 0.000 0.192 540 E C 0.576 177.316 176.600 0.234 0.000 0.988 540 E CA 0.326 56.833 56.400 0.179 0.000 0.834 540 E CB 0.034 29.878 29.700 0.239 0.000 0.772 540 E HN 0.079 nan 8.360 nan 0.000 0.479 541 V N 2.391 122.404 119.914 0.165 0.000 2.740 541 V HA 0.073 4.207 4.120 0.024 0.000 0.303 541 V C 0.677 176.864 176.094 0.155 0.000 1.054 541 V CA 0.381 62.712 62.300 0.051 0.000 1.106 541 V CB 0.995 32.686 31.823 -0.220 0.000 0.957 541 V HN 0.266 nan 8.190 nan 0.000 0.486 542 T N 0.718 115.331 114.554 0.099 0.000 2.883 542 T HA 0.496 4.860 4.350 0.024 0.000 0.301 542 T C 0.438 175.153 174.700 0.026 0.000 1.158 542 T CA -0.549 61.549 62.100 -0.003 0.000 1.007 542 T CB 1.134 70.003 68.868 0.002 0.000 1.186 542 T HN 0.154 nan 8.240 nan 0.000 0.499 543 F N 1.853 121.689 119.950 -0.189 0.000 2.091 543 F HA -0.071 4.470 4.527 0.024 0.000 0.299 543 F C 2.482 178.310 175.800 0.045 0.000 1.103 543 F CA 2.524 60.498 58.000 -0.043 0.000 1.228 543 F CB -0.198 38.733 39.000 -0.114 0.000 0.984 543 F HN 0.872 nan 8.300 nan 0.000 0.477 544 E N -0.364 119.946 120.200 0.183 0.000 2.358 544 E HA -0.148 4.216 4.350 0.024 0.000 0.195 544 E C 1.264 177.946 176.600 0.136 0.000 1.010 544 E CA 1.111 57.597 56.400 0.143 0.000 0.856 544 E CB -0.661 29.098 29.700 0.099 0.000 0.795 544 E HN 0.491 nan 8.360 nan 0.000 0.504 545 N N 0.307 119.101 118.700 0.156 0.000 2.236 545 N HA -0.040 4.715 4.740 0.024 0.000 0.196 545 N C -0.616 175.037 175.510 0.237 0.000 1.114 545 N CA -0.390 52.788 53.050 0.214 0.000 0.859 545 N CB -0.216 38.438 38.487 0.278 0.000 0.982 545 N HN 0.138 nan 8.380 nan 0.000 0.493 546 F N 3.489 123.398 119.950 -0.068 0.000 2.423 546 F HA 0.330 4.871 4.527 0.024 0.000 0.356 546 F C 0.026 175.763 175.800 -0.105 0.000 1.170 546 F CA -0.852 57.016 58.000 -0.220 0.000 1.163 546 F CB -0.055 38.760 39.000 -0.310 0.000 1.318 546 F HN 0.083 nan 8.300 nan 0.000 0.569 547 K N 3.430 123.674 120.400 -0.260 0.000 2.575 547 K HA 0.468 4.803 4.320 0.024 0.000 0.279 547 K C -1.495 175.016 176.600 -0.149 0.000 0.969 547 K CA -1.048 55.110 56.287 -0.214 0.000 0.868 547 K CB 1.057 33.530 32.500 -0.046 0.000 1.457 547 K HN 0.036 nan 8.250 nan 0.000 0.426 548 V N 1.232 121.062 119.914 -0.139 0.000 2.814 548 V HA 0.117 4.251 4.120 0.024 0.000 0.307 548 V C 1.586 177.670 176.094 -0.017 0.000 1.089 548 V CA 2.055 64.307 62.300 -0.080 0.000 1.212 548 V CB 0.121 31.903 31.823 -0.067 0.000 0.912 548 V HN 1.163 nan 8.190 nan 0.000 0.497 549 G N 3.928 112.723 108.800 -0.007 0.000 2.299 549 G HA2 -0.306 3.669 3.960 0.024 0.000 0.237 549 G HA3 -0.306 3.669 3.960 0.024 0.000 0.237 549 G C 0.195 175.121 174.900 0.042 0.000 1.027 549 G CA 0.247 45.350 45.100 0.004 0.000 0.619 549 G HN 1.027 nan 8.290 nan 0.000 0.513 550 F N 2.885 122.808 119.950 -0.046 0.000 2.580 550 F HA 0.433 4.974 4.527 0.023 0.000 0.398 550 F C 0.543 176.364 175.800 0.035 0.000 1.023 550 F CA 1.081 59.087 58.000 0.010 0.000 1.188 550 F CB 0.554 39.574 39.000 0.032 0.000 1.005 550 F HN 0.305 nan 8.300 nan 0.000 0.546 551 S N 5.393 120.769 115.700 -0.539 0.000 2.546 551 S HA 0.828 5.313 4.470 0.024 0.000 0.274 551 S C -1.438 172.901 174.600 -0.434 0.000 1.121 551 S CA -0.751 57.248 58.200 -0.335 0.000 0.887 551 S CB 1.356 64.453 63.200 -0.172 0.000 1.094 551 S HN 0.767 nan 8.310 nan 0.000 0.474 552 R N 1.879 122.261 120.500 -0.196 0.000 2.560 552 R HA 0.308 4.662 4.340 0.024 0.000 0.267 552 R C -1.632 174.666 176.300 -0.005 0.000 1.150 552 R CA -0.362 55.656 56.100 -0.138 0.000 0.997 552 R CB 1.026 31.237 30.300 -0.148 0.000 1.250 552 R HN 0.613 nan 8.270 nan 0.000 0.433 553 K N 4.488 124.879 120.400 -0.015 0.000 2.765 553 K HA 0.297 4.631 4.320 0.024 0.000 0.246 553 K C -0.296 176.314 176.600 0.017 0.000 1.254 553 K CA 0.176 56.469 56.287 0.011 0.000 1.219 553 K CB 0.174 32.670 32.500 -0.006 0.000 1.747 553 K HN 0.595 nan 8.250 nan 0.000 0.372 554 M N 1.337 120.957 119.600 0.033 0.000 3.262 554 M HA 0.162 4.656 4.480 0.024 0.000 0.450 554 M C -0.621 175.687 176.300 0.012 0.000 1.524 554 M CA -0.663 54.645 55.300 0.014 0.000 0.770 554 M CB 0.828 33.428 32.600 -0.001 0.000 1.459 554 M HN -0.083 nan 8.290 nan 0.000 0.517 555 K N 2.722 123.149 120.400 0.044 0.000 2.334 555 K HA 0.467 4.801 4.320 0.024 0.000 0.265 555 K C -2.789 173.834 176.600 0.039 0.000 1.039 555 K CA -1.719 54.596 56.287 0.047 0.000 0.920 555 K CB 0.931 33.513 32.500 0.137 0.000 1.160 555 K HN -0.134 nan 8.250 nan 0.000 0.451 556 P HA 0.026 nan 4.420 nan 0.000 0.266 556 P C -1.329 175.990 177.300 0.032 0.000 1.215 556 P CA 0.002 63.112 63.100 0.017 0.000 0.763 556 P CB 0.558 32.247 31.700 -0.018 0.000 0.806 557 K N 5.349 125.777 120.400 0.047 0.000 2.358 557 K HA 0.443 4.777 4.320 0.024 0.000 0.260 557 K C -2.736 173.902 176.600 0.063 0.000 0.956 557 K CA -2.587 53.731 56.287 0.052 0.000 0.834 557 K CB 1.207 33.737 32.500 0.050 0.000 1.102 557 K HN 0.175 nan 8.250 nan 0.000 0.431 558 P HA 0.041 nan 4.420 nan 0.000 0.271 558 P C -1.203 176.127 177.300 0.051 0.000 1.220 558 P CA -0.380 62.770 63.100 0.083 0.000 0.768 558 P CB 0.904 32.654 31.700 0.083 0.000 0.848 559 V N 4.513 124.449 119.914 0.036 0.000 2.531 559 V HA 0.197 4.331 4.120 0.024 0.000 0.301 559 V C 0.017 176.094 176.094 -0.027 0.000 1.034 559 V CA -0.768 61.540 62.300 0.014 0.000 0.865 559 V CB 1.797 33.631 31.823 0.019 0.000 0.995 559 V HN 0.390 nan 8.190 nan 0.000 0.424 560 Q N 3.732 123.514 119.800 -0.030 0.000 2.297 560 Q HA 0.458 4.812 4.340 0.024 0.000 0.267 560 Q C -0.240 175.706 176.000 -0.090 0.000 1.006 560 Q CA 0.102 55.859 55.803 -0.076 0.000 0.896 560 Q CB 1.668 30.382 28.738 -0.041 0.000 1.186 560 Q HN 0.813 nan 8.270 nan 0.000 0.392 561 V N -0.104 119.730 119.914 -0.133 0.000 3.114 561 V HA 0.611 4.745 4.120 0.024 0.000 0.308 561 V C -2.767 173.242 176.094 -0.141 0.000 1.168 561 V CA -3.051 59.184 62.300 -0.108 0.000 1.015 561 V CB 1.955 33.734 31.823 -0.074 0.000 1.050 561 V HN 0.428 nan 8.190 nan 0.000 0.433 562 P HA 0.264 nan 4.420 nan 0.000 0.256 562 P C 0.996 178.229 177.300 -0.112 0.000 1.173 562 P CA 2.224 65.266 63.100 -0.097 0.000 0.768 562 P CB 0.223 31.889 31.700 -0.057 0.000 0.758 563 G N 2.158 110.869 108.800 -0.149 0.000 2.232 563 G HA2 0.019 3.993 3.960 0.024 0.000 0.226 563 G HA3 0.019 3.993 3.960 0.024 0.000 0.226 563 G C 0.411 175.063 174.900 -0.414 0.000 0.996 563 G CA 0.105 45.116 45.100 -0.149 0.000 0.626 563 G HN 0.955 nan 8.290 nan 0.000 0.509 564 G N -1.903 106.532 108.800 -0.609 0.000 2.564 564 G HA2 0.537 4.511 3.960 0.024 0.000 0.139 564 G HA3 0.537 4.511 3.960 0.024 0.000 0.139 564 G C -1.403 172.993 174.900 -0.840 0.000 1.147 564 G CA 0.612 44.977 45.100 -1.225 0.000 1.031 564 G HN 1.321 nan 8.290 nan 0.000 0.482 565 V N 0.138 119.461 119.914 -0.986 0.000 2.735 565 V HA 0.765 4.899 4.120 0.024 0.000 0.310 565 V C -0.442 175.583 176.094 -0.115 0.000 1.061 565 V CA -0.659 61.383 62.300 -0.429 0.000 0.913 565 V CB 1.716 33.265 31.823 -0.457 0.000 1.005 565 V HN 0.854 nan 8.190 nan 0.000 0.428 566 V N 4.552 124.482 119.914 0.027 0.000 2.638 566 V HA 0.485 4.619 4.120 0.024 0.000 0.306 566 V C -0.452 175.734 176.094 0.154 0.000 1.052 566 V CA -0.647 61.744 62.300 0.152 0.000 0.885 566 V CB 1.944 33.831 31.823 0.107 0.000 0.999 566 V HN 0.664 nan 8.190 nan 0.000 0.424 567 L N 4.698 126.036 121.223 0.192 0.000 2.278 567 L HA 0.519 4.874 4.340 0.024 0.000 0.287 567 L C -0.426 176.505 176.870 0.102 0.000 1.072 567 L CA -0.326 54.592 54.840 0.130 0.000 0.819 567 L CB 1.190 43.302 42.059 0.088 0.000 1.176 567 L HN 0.403 nan 8.230 nan 0.000 0.435 568 V N 2.025 121.986 119.914 0.078 0.000 2.581 568 V HA 0.248 4.382 4.120 0.024 0.000 0.303 568 V C -0.100 176.025 176.094 0.052 0.000 1.041 568 V CA -0.977 61.362 62.300 0.066 0.000 0.907 568 V CB 2.024 33.879 31.823 0.053 0.000 0.994 568 V HN 0.571 nan 8.190 nan 0.000 0.442 569 D N 3.026 123.452 120.400 0.044 0.000 2.425 569 D HA 0.231 4.885 4.640 0.024 0.000 0.247 569 D C -0.447 175.873 176.300 0.034 0.000 1.147 569 D CA 0.536 54.556 54.000 0.034 0.000 0.879 569 D CB 1.236 42.048 40.800 0.020 0.000 1.179 569 D HN 0.627 nan 8.370 nan 0.000 0.456 570 D N 0.070 120.497 120.400 0.045 0.000 2.423 570 D HA 0.244 4.898 4.640 0.024 0.000 0.235 570 D C -0.753 175.584 176.300 0.061 0.000 1.011 570 D CA -0.509 53.520 54.000 0.047 0.000 0.963 570 D CB 1.425 42.257 40.800 0.054 0.000 1.349 570 D HN -0.027 nan 8.370 nan 0.000 0.508 571 T N 1.799 116.380 114.554 0.045 0.000 2.888 571 T HA 0.203 4.567 4.350 0.024 0.000 0.301 571 T C -0.395 174.364 174.700 0.098 0.000 1.001 571 T CA 0.227 62.354 62.100 0.046 0.000 1.147 571 T CB -0.200 68.667 68.868 -0.001 0.000 0.931 571 T HN 0.191 nan 8.240 nan 0.000 0.541 572 F N 2.927 122.867 119.950 -0.016 0.000 2.458 572 F HA 0.566 5.107 4.527 0.024 0.000 0.336 572 F C -0.143 175.661 175.800 0.006 0.000 1.114 572 F CA -0.405 57.602 58.000 0.011 0.000 0.987 572 F CB 1.554 40.578 39.000 0.040 0.000 1.130 572 F HN 0.424 nan 8.300 nan 0.000 0.458 573 T N 7.111 121.195 114.554 -0.783 0.000 2.971 573 T HA 0.436 4.800 4.350 0.024 0.000 0.304 573 T C -0.492 173.883 174.700 -0.542 0.000 1.038 573 T CA -0.525 61.311 62.100 -0.440 0.000 1.007 573 T CB 1.306 70.036 68.868 -0.230 0.000 1.055 573 T HN 0.429 nan 8.240 nan 0.000 0.451 574 I N 3.805 124.257 120.570 -0.197 0.000 2.436 574 I HA 0.231 4.416 4.170 0.024 0.000 0.289 574 I C 0.819 176.863 176.117 -0.121 0.000 1.083 574 I CA -0.093 61.130 61.300 -0.129 0.000 1.372 574 I CB 0.320 38.310 38.000 -0.016 0.000 1.408 574 I HN 0.333 nan 8.210 nan 0.000 0.516 575 K N 0.000 120.323 120.400 -0.129 0.000 2.780 575 K HA 0.000 4.334 4.320 0.024 0.000 0.191 575 K CA 0.000 56.233 56.287 -0.090 0.000 0.838 575 K CB 0.000 32.445 32.500 -0.092 0.000 1.064 575 K HN 0.000 nan 8.250 nan 0.000 0.543