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 3gqb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIQGVIQKIA GPAVIAKGML GARMYDISKV GEEGLVGEII RLDGDTAFVQ DATA SEQUENCE VYEDTSGLKV GEPVVSTGLP LAVELGPGML NGIYDGIQRP LERIREKTGI DATA SEQUENCE YITRGVVVHA LDREKKWAWT PMVKPGDEVR GGMVLGTVPE FGFTHKILVP DATA SEQUENCE PDVRGRVKEV KPAGEYTVEE PVVVLEDGTE LKMYHTWPVR RARPVQRKLD DATA SEQUENCE PNTPFLTGMR ILDVLFPVAM GGTAAIPGPF GSGKSVTQQS LAKWSNADVV DATA SEQUENCE VYVGSGERGN EMTDVLVEFP ELTDPKTGGP LMHRTVLIAN TSNMPVAARE DATA SEQUENCE ASIYVGVTIA EYFRDQGFSV ALMADSTSRW AEALREISSR LEEMPAEEGY DATA SEQUENCE PPYLAARLAA FYERAGKVIT LGGEEGAVTI VGAVSPPGGD MSEPVTQSTL DATA SEQUENCE RIVGAFWRLD ASLAFRRHFP AINWNGSYSL FTSALDPWYR ENVAEDYPEL DATA SEQUENCE RDAISELLQR EAGLQEIVQL VGPDALQDAE RLVIEVGRII REDFLQQNAY DATA SEQUENCE HEVDAYSSMK KAYGIMKMIL AFYKEAEAAI KRGVSIDEIL QLPVLERIGR DATA SEQUENCE ARYVSEEEFP AYFEEAMKEI QGAFKALA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.009 0.000 1.302 2 I N 2.037 122.597 120.570 -0.017 0.000 2.647 2 I HA 0.465 4.635 4.170 -0.000 0.000 0.295 2 I C -0.326 175.780 176.117 -0.018 0.000 1.078 2 I CA -0.450 60.840 61.300 -0.016 0.000 1.048 2 I CB 2.433 40.423 38.000 -0.017 0.000 1.239 2 I HN 0.630 nan 8.210 nan 0.000 0.421 3 Q N 4.195 123.985 119.800 -0.016 0.000 2.560 3 Q HA 0.488 4.828 4.340 -0.000 0.000 0.238 3 Q C 0.118 176.107 176.000 -0.019 0.000 1.079 3 Q CA -0.180 55.613 55.803 -0.017 0.000 0.866 3 Q CB 2.384 31.114 28.738 -0.014 0.000 1.153 3 Q HN 0.951 nan 8.270 nan 0.000 0.530 4 G N 0.303 109.089 108.800 -0.022 0.000 2.938 4 G HA2 0.757 4.716 3.960 -0.000 0.000 0.258 4 G HA3 0.757 4.716 3.960 -0.000 0.000 0.258 4 G C -0.403 174.480 174.900 -0.028 0.000 1.356 4 G CA -0.453 44.633 45.100 -0.025 0.000 1.052 4 G HN 0.306 nan 8.290 nan 0.000 0.550 5 V N -2.621 117.273 119.914 -0.032 0.000 3.160 5 V HA 0.601 4.721 4.120 -0.000 0.000 0.310 5 V C -0.199 175.868 176.094 -0.046 0.000 1.181 5 V CA -1.275 61.004 62.300 -0.035 0.000 1.047 5 V CB 1.752 33.557 31.823 -0.030 0.000 1.068 5 V HN 0.673 nan 8.190 nan 0.000 0.441 6 I N 1.609 122.151 120.570 -0.048 0.000 2.436 6 I HA 0.189 4.359 4.170 -0.000 0.000 0.289 6 I C 1.278 177.356 176.117 -0.064 0.000 1.083 6 I CA 0.247 61.510 61.300 -0.062 0.000 1.372 6 I CB 1.227 39.193 38.000 -0.057 0.000 1.408 6 I HN 0.920 nan 8.210 nan 0.000 0.516 7 Q N 6.313 126.063 119.800 -0.083 0.000 2.250 7 Q HA 0.062 4.402 4.340 -0.000 0.000 0.200 7 Q C 0.406 176.352 176.000 -0.090 0.000 0.941 7 Q CA 0.921 56.675 55.803 -0.081 0.000 0.872 7 Q CB 0.691 29.375 28.738 -0.090 0.000 0.965 7 Q HN 0.618 nan 8.270 nan 0.000 0.480 8 K N -0.021 120.309 120.400 -0.117 0.000 2.527 8 K HA 0.481 4.800 4.320 -0.000 0.000 0.260 8 K C -1.834 174.698 176.600 -0.114 0.000 0.937 8 K CA -0.564 55.653 56.287 -0.117 0.000 0.826 8 K CB 1.634 34.040 32.500 -0.157 0.000 1.359 8 K HN 0.062 nan 8.250 nan 0.000 0.434 9 I N 2.192 122.712 120.570 -0.084 0.000 2.512 9 I HA 0.476 4.646 4.170 -0.000 0.000 0.287 9 I C -1.179 174.906 176.117 -0.054 0.000 1.069 9 I CA -0.776 60.483 61.300 -0.069 0.000 1.056 9 I CB 2.194 40.164 38.000 -0.050 0.000 1.229 9 I HN 0.703 nan 8.210 nan 0.000 0.429 10 A N 4.912 127.703 122.820 -0.048 0.000 2.569 10 A HA 0.777 5.097 4.320 -0.000 0.000 0.282 10 A C 0.331 177.906 177.584 -0.014 0.000 1.165 10 A CA 0.093 52.114 52.037 -0.028 0.000 0.747 10 A CB 0.713 19.698 19.000 -0.026 0.000 1.215 10 A HN 1.175 nan 8.150 nan 0.000 0.431 11 G N 3.461 112.256 108.800 -0.009 0.000 2.596 11 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.295 11 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.295 11 G C -1.147 173.755 174.900 0.004 0.000 1.240 11 G CA 0.413 45.514 45.100 0.001 0.000 0.985 11 G HN 0.833 nan 8.290 nan 0.000 0.555 12 P HA 0.450 nan 4.420 nan 0.000 0.257 12 P C 0.231 177.548 177.300 0.029 0.000 1.281 12 P CA 1.302 64.420 63.100 0.031 0.000 0.826 12 P CB 0.146 31.876 31.700 0.051 0.000 1.237 13 A N 0.140 122.969 122.820 0.014 0.000 2.292 13 A HA 0.591 4.911 4.320 -0.000 0.000 0.319 13 A C -0.521 177.031 177.584 -0.053 0.000 1.206 13 A CA -0.519 51.520 52.037 0.004 0.000 0.835 13 A CB 1.090 20.106 19.000 0.027 0.000 1.164 13 A HN -0.031 nan 8.150 nan 0.000 0.505 14 V N 3.703 123.565 119.914 -0.086 0.000 2.760 14 V HA 0.395 4.515 4.120 -0.000 0.000 0.309 14 V C -0.609 175.343 176.094 -0.236 0.000 1.077 14 V CA -0.289 61.929 62.300 -0.137 0.000 0.910 14 V CB 1.978 33.748 31.823 -0.089 0.000 1.008 14 V HN 0.790 nan 8.190 nan 0.000 0.424 15 I N 3.796 124.184 120.570 -0.304 0.000 2.339 15 I HA 0.689 4.859 4.170 -0.000 0.000 0.290 15 I C 0.392 176.391 176.117 -0.198 0.000 0.994 15 I CA -0.388 60.681 61.300 -0.385 0.000 1.191 15 I CB 1.668 39.337 38.000 -0.551 0.000 1.343 15 I HN 0.692 nan 8.210 nan 0.000 0.458 16 A N 7.248 129.988 122.820 -0.133 0.000 2.305 16 A HA 0.650 4.970 4.320 -0.000 0.000 0.322 16 A C -0.309 177.241 177.584 -0.058 0.000 1.187 16 A CA -0.645 51.344 52.037 -0.080 0.000 0.825 16 A CB 0.817 19.782 19.000 -0.059 0.000 1.164 16 A HN 0.795 nan 8.150 nan 0.000 0.498 17 K N 0.895 121.266 120.400 -0.048 0.000 2.185 17 K HA 0.720 5.040 4.320 -0.000 0.000 0.240 17 K C 0.713 177.299 176.600 -0.023 0.000 0.983 17 K CA -0.159 56.110 56.287 -0.030 0.000 0.873 17 K CB 1.328 33.810 32.500 -0.030 0.000 1.118 17 K HN 1.711 nan 8.250 nan 0.000 0.441 18 G N 1.040 109.830 108.800 -0.015 0.000 2.220 18 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.269 18 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.269 18 G C 0.293 175.185 174.900 -0.014 0.000 0.977 18 G CA 0.457 45.549 45.100 -0.014 0.000 0.634 18 G HN 0.584 nan 8.290 nan 0.000 0.539 19 M N 1.946 121.537 119.600 -0.015 0.000 3.447 19 M HA 0.207 4.687 4.480 -0.000 0.000 0.217 19 M C 0.561 176.854 176.300 -0.012 0.000 1.597 19 M CA 0.656 55.947 55.300 -0.016 0.000 1.695 19 M CB -0.614 31.975 32.600 -0.019 0.000 1.196 19 M HN 0.212 nan 8.290 nan 0.000 0.538 20 L N 0.510 121.726 121.223 -0.011 0.000 2.360 20 L HA 0.402 4.742 4.340 -0.000 0.000 0.276 20 L C 1.342 178.206 176.870 -0.011 0.000 1.121 20 L CA -0.275 54.559 54.840 -0.009 0.000 0.845 20 L CB 0.107 42.161 42.059 -0.008 0.000 1.143 20 L HN 0.870 nan 8.230 nan 0.000 0.452 21 G N 1.737 110.531 108.800 -0.011 0.000 2.179 21 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.260 21 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.260 21 G C 0.498 175.389 174.900 -0.015 0.000 0.977 21 G CA 0.037 45.130 45.100 -0.012 0.000 0.641 21 G HN 1.076 nan 8.290 nan 0.000 0.533 22 A N -0.169 122.641 122.820 -0.017 0.000 2.547 22 A HA 0.562 4.882 4.320 -0.000 0.000 0.233 22 A C 0.857 178.425 177.584 -0.026 0.000 1.067 22 A CA 1.023 53.046 52.037 -0.023 0.000 0.763 22 A CB 0.168 19.154 19.000 -0.025 0.000 1.007 22 A HN 0.783 nan 8.150 nan 0.000 0.506 23 R N 1.387 121.868 120.500 -0.031 0.000 2.750 23 R HA 0.438 4.777 4.340 -0.000 0.000 0.281 23 R C -0.826 175.443 176.300 -0.051 0.000 0.972 23 R CA -1.191 54.891 56.100 -0.031 0.000 0.912 23 R CB 1.035 31.326 30.300 -0.016 0.000 1.187 23 R HN 0.663 nan 8.270 nan 0.000 0.464 24 M N 2.951 122.514 119.600 -0.062 0.000 2.336 24 M HA -0.091 4.389 4.480 -0.000 0.000 0.371 24 M C -0.096 176.177 176.300 -0.046 0.000 1.542 24 M CA 1.203 56.415 55.300 -0.146 0.000 0.959 24 M CB -1.215 31.353 32.600 -0.054 0.000 2.033 24 M HN 0.781 nan 8.290 nan 0.000 0.472 25 Y N -1.402 118.884 120.300 -0.023 0.000 4.936 25 Y HA -0.263 4.287 4.550 -0.000 0.000 0.260 25 Y C 0.344 176.221 175.900 -0.037 0.000 0.928 25 Y CA 0.333 58.417 58.100 -0.026 0.000 1.869 25 Y CB -1.458 36.983 38.460 -0.032 0.000 1.344 25 Y HN 0.546 nan 8.280 nan 0.000 0.521 26 D N 1.091 121.510 120.400 0.031 0.000 2.443 26 D HA 0.236 4.875 4.640 -0.000 0.000 0.239 26 D C 0.334 176.620 176.300 -0.023 0.000 1.136 26 D CA 0.139 54.141 54.000 0.003 0.000 0.879 26 D CB 0.606 41.395 40.800 -0.019 0.000 1.195 26 D HN 0.044 nan 8.370 nan 0.000 0.443 27 I N 1.553 122.104 120.570 -0.031 0.000 2.556 27 I HA -0.016 4.154 4.170 -0.000 0.000 0.284 27 I C 0.816 176.884 176.117 -0.082 0.000 1.114 27 I CA 0.713 61.966 61.300 -0.077 0.000 1.418 27 I CB 0.726 38.686 38.000 -0.066 0.000 1.394 27 I HN 0.074 nan 8.210 nan 0.000 0.552 28 S N 5.556 121.187 115.700 -0.115 0.000 2.638 28 S HA 0.537 5.007 4.470 -0.000 0.000 0.298 28 S C -0.406 174.137 174.600 -0.094 0.000 1.111 28 S CA -0.859 57.286 58.200 -0.092 0.000 1.027 28 S CB 1.166 64.312 63.200 -0.090 0.000 1.064 28 S HN 0.379 nan 8.310 nan 0.000 0.525 29 K N 1.953 122.313 120.400 -0.067 0.000 2.394 29 K HA 0.562 4.882 4.320 -0.000 0.000 0.260 29 K C -1.552 175.018 176.600 -0.050 0.000 0.967 29 K CA -0.440 55.812 56.287 -0.057 0.000 0.855 29 K CB 1.522 33.997 32.500 -0.042 0.000 1.101 29 K HN 0.294 nan 8.250 nan 0.000 0.433 30 V N 2.736 122.620 119.914 -0.050 0.000 2.448 30 V HA 0.626 4.746 4.120 -0.000 0.000 0.295 30 V C 0.457 176.531 176.094 -0.034 0.000 1.025 30 V CA -0.292 61.980 62.300 -0.046 0.000 0.859 30 V CB 0.985 32.776 31.823 -0.053 0.000 0.988 30 V HN 1.068 nan 8.190 nan 0.000 0.431 31 G N 4.190 112.971 108.800 -0.032 0.000 2.782 31 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.228 31 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.228 31 G C 0.359 175.246 174.900 -0.021 0.000 1.372 31 G CA 0.414 45.498 45.100 -0.026 0.000 0.862 31 G HN 0.726 nan 8.290 nan 0.000 0.547 32 E N -0.169 120.020 120.200 -0.017 0.000 2.150 32 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 32 E C 2.285 178.879 176.600 -0.011 0.000 0.985 32 E CA 1.383 57.775 56.400 -0.013 0.000 0.814 32 E CB -0.011 29.682 29.700 -0.011 0.000 0.752 32 E HN 0.628 nan 8.360 nan 0.000 0.466 33 E N -0.841 119.353 120.200 -0.011 0.000 2.418 33 E HA -0.028 4.322 4.350 -0.000 0.000 0.197 33 E C 0.846 177.440 176.600 -0.010 0.000 1.026 33 E CA 0.376 56.771 56.400 -0.007 0.000 0.862 33 E CB 0.200 29.897 29.700 -0.004 0.000 0.799 33 E HN 0.358 nan 8.360 nan 0.000 0.518 34 G N 1.607 110.398 108.800 -0.016 0.000 2.221 34 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.265 34 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.265 34 G C 0.142 175.027 174.900 -0.025 0.000 1.041 34 G CA -0.039 45.047 45.100 -0.022 0.000 0.807 34 G HN 0.167 nan 8.290 nan 0.000 0.502 35 L N -0.440 120.770 121.223 -0.021 0.000 2.593 35 L HA 0.128 4.467 4.340 -0.000 0.000 0.287 35 L C 1.373 178.215 176.870 -0.047 0.000 1.243 35 L CA -0.141 54.688 54.840 -0.018 0.000 0.890 35 L CB 0.288 42.342 42.059 -0.009 0.000 1.134 35 L HN 0.003 nan 8.230 nan 0.000 0.502 36 V N 2.759 122.643 119.914 -0.050 0.000 2.686 36 V HA 0.610 4.730 4.120 -0.000 0.000 0.295 36 V C 0.778 176.705 176.094 -0.278 0.000 1.055 36 V CA 0.343 62.566 62.300 -0.128 0.000 1.050 36 V CB 1.212 32.985 31.823 -0.083 0.000 0.984 36 V HN 0.968 nan 8.190 nan 0.000 0.482 37 G N 3.653 112.231 108.800 -0.370 0.000 2.682 37 G HA2 0.639 4.599 3.960 -0.000 0.000 0.290 37 G HA3 0.639 4.599 3.960 -0.000 0.000 0.290 37 G C -1.579 173.072 174.900 -0.416 0.000 1.425 37 G CA -0.573 44.240 45.100 -0.478 0.000 0.807 37 G HN 0.556 nan 8.290 nan 0.000 0.482 38 E N -0.162 119.853 120.200 -0.308 0.000 2.199 38 E HA 0.369 4.719 4.350 -0.000 0.000 0.269 38 E C -0.311 176.234 176.600 -0.093 0.000 0.899 38 E CA -0.672 55.653 56.400 -0.125 0.000 0.772 38 E CB 2.610 32.339 29.700 0.048 0.000 1.155 38 E HN 0.333 nan 8.360 nan 0.000 0.408 39 I N 4.954 125.451 120.570 -0.122 0.000 2.581 39 I HA -0.044 4.125 4.170 -0.000 0.000 0.285 39 I C 1.351 177.272 176.117 -0.326 0.000 1.129 39 I CA 0.581 61.791 61.300 -0.149 0.000 1.397 39 I CB 0.081 37.999 38.000 -0.136 0.000 1.399 39 I HN 0.593 nan 8.210 nan 0.000 0.537 40 I N 3.180 123.621 120.570 -0.215 0.000 4.018 40 I HA 0.363 4.533 4.170 -0.000 0.000 0.337 40 I C 0.682 176.647 176.117 -0.253 0.000 1.327 40 I CA 0.041 61.149 61.300 -0.320 0.000 1.100 40 I CB 0.126 38.073 38.000 -0.088 0.000 1.025 40 I HN 0.538 nan 8.210 nan 0.000 0.396 41 R N 1.693 122.090 120.500 -0.172 0.000 2.561 41 R HA 0.580 4.920 4.340 -0.000 0.000 0.266 41 R C -2.140 174.105 176.300 -0.091 0.000 1.091 41 R CA -0.629 55.346 56.100 -0.208 0.000 0.927 41 R CB 2.451 32.456 30.300 -0.491 0.000 1.240 41 R HN 0.213 nan 8.270 nan 0.000 0.449 42 L N 3.342 124.506 121.223 -0.098 0.000 2.319 42 L HA 0.413 4.753 4.340 -0.000 0.000 0.281 42 L C -0.890 175.960 176.870 -0.032 0.000 1.005 42 L CA -0.732 54.091 54.840 -0.029 0.000 0.828 42 L CB 1.807 43.844 42.059 -0.036 0.000 1.227 42 L HN 0.507 nan 8.230 nan 0.000 0.415 43 D N 2.591 123.010 120.400 0.033 0.000 2.542 43 D HA 0.474 5.113 4.640 -0.000 0.000 0.252 43 D C 0.771 177.102 176.300 0.052 0.000 1.222 43 D CA 0.614 54.632 54.000 0.030 0.000 0.895 43 D CB 1.820 42.654 40.800 0.056 0.000 1.207 43 D HN 0.657 nan 8.370 nan 0.000 0.558 44 G N 4.965 113.779 108.800 0.023 0.000 2.952 44 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.346 44 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.346 44 G C 0.506 175.418 174.900 0.019 0.000 1.191 44 G CA 1.011 46.122 45.100 0.019 0.000 0.961 44 G HN 0.689 nan 8.290 nan 0.000 0.588 45 D N 1.195 121.609 120.400 0.024 0.000 2.593 45 D HA 0.326 4.966 4.640 -0.000 0.000 0.241 45 D C 0.738 177.049 176.300 0.019 0.000 1.257 45 D CA 0.966 54.975 54.000 0.015 0.000 0.828 45 D CB 0.054 40.858 40.800 0.007 0.000 1.049 45 D HN 0.955 nan 8.370 nan 0.000 0.490 46 T N -2.808 111.773 114.554 0.045 0.000 2.903 46 T HA 0.730 5.079 4.350 -0.000 0.000 0.299 46 T C -1.110 173.656 174.700 0.110 0.000 1.093 46 T CA -0.962 61.172 62.100 0.057 0.000 1.002 46 T CB 2.380 71.290 68.868 0.070 0.000 1.127 46 T HN 0.156 nan 8.240 nan 0.000 0.488 47 A N 1.886 124.764 122.820 0.097 0.000 2.359 47 A HA 0.719 5.039 4.320 -0.000 0.000 0.303 47 A C -0.882 176.808 177.584 0.177 0.000 1.066 47 A CA -0.919 51.198 52.037 0.133 0.000 0.730 47 A CB 0.707 19.727 19.000 0.032 0.000 1.211 47 A HN 0.820 nan 8.150 nan 0.000 0.439 48 F N 2.356 122.266 119.950 -0.067 0.000 2.444 48 F HA 0.381 4.908 4.527 -0.000 0.000 0.360 48 F C 0.331 176.087 175.800 -0.073 0.000 1.106 48 F CA -0.286 57.679 58.000 -0.059 0.000 1.170 48 F CB 1.336 40.306 39.000 -0.051 0.000 1.113 48 F HN 0.267 nan 8.300 nan 0.000 0.521 49 V N 3.784 123.723 119.914 0.042 0.000 2.435 49 V HA 0.215 4.335 4.120 -0.000 0.000 0.290 49 V C -0.283 175.820 176.094 0.014 0.000 1.030 49 V CA -0.788 61.511 62.300 -0.003 0.000 0.881 49 V CB 1.611 33.404 31.823 -0.050 0.000 0.983 49 V HN 0.561 nan 8.190 nan 0.000 0.445 50 Q N 3.739 123.556 119.800 0.027 0.000 2.360 50 Q HA 0.418 4.758 4.340 -0.000 0.000 0.254 50 Q C -0.883 175.151 176.000 0.057 0.000 0.975 50 Q CA -0.107 55.741 55.803 0.076 0.000 0.912 50 Q CB 1.461 30.286 28.738 0.146 0.000 1.212 50 Q HN 0.606 nan 8.270 nan 0.000 0.452 51 V N 6.855 126.803 119.914 0.057 0.000 2.455 51 V HA 0.008 4.127 4.120 -0.000 0.000 0.273 51 V C 0.786 176.992 176.094 0.186 0.000 1.045 51 V CA 0.081 62.404 62.300 0.037 0.000 0.976 51 V CB 0.258 32.090 31.823 0.014 0.000 0.993 51 V HN 0.942 nan 8.190 nan 0.000 0.475 52 Y N 2.464 122.777 120.300 0.022 0.000 2.384 52 Y HA -0.129 4.421 4.550 -0.000 0.000 0.289 52 Y C 1.323 177.237 175.900 0.022 0.000 1.152 52 Y CA 0.302 58.418 58.100 0.026 0.000 1.258 52 Y CB 0.353 38.831 38.460 0.031 0.000 0.979 52 Y HN 0.685 nan 8.280 nan 0.000 0.549 53 E N -0.221 120.079 120.200 0.168 0.000 2.355 53 E HA 0.131 4.480 4.350 -0.000 0.000 0.261 53 E C -1.249 175.388 176.600 0.062 0.000 0.943 53 E CA -1.060 55.400 56.400 0.099 0.000 0.806 53 E CB 0.938 30.688 29.700 0.083 0.000 1.286 53 E HN -0.171 nan 8.360 nan 0.000 0.424 54 D N 1.459 121.885 120.400 0.043 0.000 2.472 54 D HA -0.042 4.597 4.640 -0.000 0.000 0.248 54 D C 0.810 177.120 176.300 0.017 0.000 1.174 54 D CA 0.346 54.362 54.000 0.026 0.000 0.883 54 D CB 1.038 41.849 40.800 0.018 0.000 1.149 54 D HN 0.543 nan 8.370 nan 0.000 0.488 55 T N -0.060 114.500 114.554 0.011 0.000 3.113 55 T HA -0.019 4.331 4.350 -0.000 0.000 0.256 55 T C 1.102 175.799 174.700 -0.005 0.000 1.131 55 T CA -0.022 62.078 62.100 0.001 0.000 1.074 55 T CB -0.196 68.669 68.868 -0.005 0.000 0.944 55 T HN 0.330 nan 8.240 nan 0.000 0.516 56 S N 0.725 116.423 115.700 -0.004 0.000 2.546 56 S HA 0.434 4.903 4.470 -0.000 0.000 0.290 56 S C 1.553 176.148 174.600 -0.010 0.000 1.290 56 S CA 0.302 58.497 58.200 -0.008 0.000 1.069 56 S CB -0.051 63.145 63.200 -0.008 0.000 0.846 56 S HN 1.250 nan 8.310 nan 0.000 0.495 57 G N 3.061 111.854 108.800 -0.012 0.000 2.259 57 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 57 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 57 G C 0.101 174.993 174.900 -0.014 0.000 1.001 57 G CA -0.093 45.000 45.100 -0.012 0.000 0.627 57 G HN 0.785 nan 8.290 nan 0.000 0.501 58 L N 1.132 122.346 121.223 -0.016 0.000 2.461 58 L HA 0.350 4.690 4.340 -0.000 0.000 0.272 58 L C 0.623 177.480 176.870 -0.022 0.000 1.197 58 L CA 0.474 55.302 54.840 -0.019 0.000 0.836 58 L CB 0.548 42.594 42.059 -0.022 0.000 1.105 58 L HN 0.155 nan 8.230 nan 0.000 0.477 59 K N 1.744 122.131 120.400 -0.023 0.000 2.259 59 K HA 0.409 4.729 4.320 -0.000 0.000 0.249 59 K C -0.836 175.746 176.600 -0.029 0.000 0.942 59 K CA -0.970 55.303 56.287 -0.024 0.000 0.816 59 K CB 2.499 34.987 32.500 -0.020 0.000 1.155 59 K HN 0.203 nan 8.250 nan 0.000 0.428 60 V N 1.735 121.630 119.914 -0.031 0.000 2.720 60 V HA 0.004 4.123 4.120 -0.000 0.000 0.307 60 V C 1.386 177.462 176.094 -0.031 0.000 1.071 60 V CA 2.099 64.378 62.300 -0.036 0.000 1.199 60 V CB 0.382 32.184 31.823 -0.035 0.000 0.900 60 V HN 1.202 nan 8.190 nan 0.000 0.494 61 G N 3.260 112.040 108.800 -0.033 0.000 2.253 61 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.209 61 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.209 61 G C 0.095 174.980 174.900 -0.026 0.000 0.997 61 G CA 0.043 45.126 45.100 -0.028 0.000 0.640 61 G HN 0.645 nan 8.290 nan 0.000 0.496 62 E N 1.729 121.913 120.200 -0.027 0.000 2.408 62 E HA 0.353 4.703 4.350 -0.000 0.000 0.259 62 E C -2.221 174.363 176.600 -0.027 0.000 1.110 62 E CA -1.349 55.036 56.400 -0.025 0.000 0.929 62 E CB 0.610 30.295 29.700 -0.025 0.000 0.971 62 E HN 0.200 nan 8.360 nan 0.000 0.438 63 P HA 0.048 nan 4.420 nan 0.000 0.272 63 P C -1.036 176.246 177.300 -0.030 0.000 1.223 63 P CA 0.003 63.088 63.100 -0.025 0.000 0.784 63 P CB 0.622 32.309 31.700 -0.021 0.000 0.923 64 V N 2.786 122.680 119.914 -0.032 0.000 2.733 64 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 64 V C -0.361 175.712 176.094 -0.034 0.000 1.084 64 V CA -0.676 61.602 62.300 -0.038 0.000 0.905 64 V CB 2.280 34.077 31.823 -0.045 0.000 1.010 64 V HN 0.496 nan 8.190 nan 0.000 0.424 65 V N 2.582 122.475 119.914 -0.036 0.000 2.808 65 V HA 0.786 4.906 4.120 -0.000 0.000 0.308 65 V C -0.466 175.607 176.094 -0.034 0.000 1.099 65 V CA -0.185 62.097 62.300 -0.030 0.000 0.920 65 V CB 2.296 34.104 31.823 -0.024 0.000 1.014 65 V HN 0.873 nan 8.190 nan 0.000 0.425 66 S N 3.178 118.859 115.700 -0.031 0.000 2.537 66 S HA 0.366 4.836 4.470 -0.000 0.000 0.275 66 S C 0.971 175.554 174.600 -0.028 0.000 1.272 66 S CA 0.479 58.659 58.200 -0.033 0.000 1.050 66 S CB 1.434 64.615 63.200 -0.031 0.000 0.961 66 S HN 1.068 nan 8.310 nan 0.000 0.496 67 T N 3.505 118.041 114.554 -0.030 0.000 3.113 67 T HA 0.228 4.578 4.350 -0.000 0.000 0.256 67 T C 1.390 176.080 174.700 -0.018 0.000 1.131 67 T CA 1.107 63.193 62.100 -0.022 0.000 1.074 67 T CB -0.805 68.048 68.868 -0.024 0.000 0.944 67 T HN 1.279 nan 8.240 nan 0.000 0.516 68 G N 0.853 109.640 108.800 -0.021 0.000 2.168 68 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.263 68 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.263 68 G C -0.088 174.800 174.900 -0.020 0.000 0.977 68 G CA 0.449 45.538 45.100 -0.019 0.000 0.659 68 G HN 0.546 nan 8.290 nan 0.000 0.533 69 L N 0.804 122.016 121.223 -0.020 0.000 2.445 69 L HA 0.577 4.917 4.340 -0.000 0.000 0.262 69 L C -2.099 174.761 176.870 -0.016 0.000 0.974 69 L CA -2.393 52.432 54.840 -0.024 0.000 0.822 69 L CB 2.878 44.923 42.059 -0.024 0.000 1.339 69 L HN -0.120 nan 8.230 nan 0.000 0.409 70 P HA 0.062 nan 4.420 nan 0.000 0.275 70 P C -0.585 176.713 177.300 -0.002 0.000 1.266 70 P CA -0.561 62.542 63.100 0.005 0.000 0.793 70 P CB 0.732 32.419 31.700 -0.022 0.000 1.074 71 L N 0.063 121.305 121.223 0.031 0.000 2.559 71 L HA 0.314 4.654 4.340 -0.000 0.000 0.274 71 L C -0.104 176.773 176.870 0.013 0.000 1.205 71 L CA 0.702 55.574 54.840 0.053 0.000 0.907 71 L CB -0.972 41.158 42.059 0.118 0.000 1.153 71 L HN 0.529 nan 8.230 nan 0.000 0.490 72 A N 4.620 127.452 122.820 0.020 0.000 2.486 72 A HA 0.862 5.182 4.320 -0.000 0.000 0.289 72 A C -1.331 176.268 177.584 0.024 0.000 1.176 72 A CA -0.579 51.462 52.037 0.007 0.000 0.757 72 A CB 1.747 20.741 19.000 -0.010 0.000 1.337 72 A HN 0.560 nan 8.150 nan 0.000 0.423 73 V N 0.137 120.065 119.914 0.024 0.000 2.823 73 V HA 0.414 4.534 4.120 -0.000 0.000 0.312 73 V C -0.768 175.286 176.094 -0.067 0.000 1.072 73 V CA -0.550 61.735 62.300 -0.025 0.000 0.937 73 V CB 2.010 33.826 31.823 -0.011 0.000 1.013 73 V HN 0.957 nan 8.190 nan 0.000 0.430 74 E N 4.968 125.089 120.200 -0.131 0.000 2.167 74 E HA 0.465 4.815 4.350 -0.000 0.000 0.284 74 E C -1.251 175.158 176.600 -0.319 0.000 1.016 74 E CA -0.310 56.000 56.400 -0.151 0.000 0.817 74 E CB 1.419 31.011 29.700 -0.179 0.000 1.080 74 E HN 0.420 nan 8.360 nan 0.000 0.397 75 L N 3.181 124.131 121.223 -0.455 0.000 2.324 75 L HA 0.640 4.979 4.340 -0.000 0.000 0.274 75 L C 0.292 176.682 176.870 -0.800 0.000 1.012 75 L CA -0.498 53.750 54.840 -0.986 0.000 0.859 75 L CB 1.262 42.493 42.059 -1.380 0.000 1.224 75 L HN 0.664 nan 8.230 nan 0.000 0.429 76 G N 3.192 111.672 108.800 -0.534 0.000 2.489 76 G HA2 0.452 4.412 3.960 -0.000 0.000 0.305 76 G HA3 0.452 4.412 3.960 -0.000 0.000 0.305 76 G C -3.325 171.436 174.900 -0.232 0.000 1.311 76 G CA -0.792 44.211 45.100 -0.163 0.000 0.813 76 G HN 0.141 nan 8.290 nan 0.000 0.480 77 P HA 0.438 nan 4.420 nan 0.000 0.271 77 P C 0.683 177.710 177.300 -0.457 0.000 1.216 77 P CA 1.354 63.845 63.100 -1.015 0.000 0.771 77 P CB 1.296 31.784 31.700 -2.018 0.000 0.864 78 G N 1.837 110.633 108.800 -0.007 0.000 2.559 78 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.202 78 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.202 78 G C 0.724 175.866 174.900 0.403 0.000 0.992 78 G CA -0.088 45.218 45.100 0.343 0.000 0.764 78 G HN 0.413 nan 8.290 nan 0.000 0.525 79 M N 0.351 120.220 119.600 0.448 0.000 2.556 79 M HA 0.389 4.869 4.480 -0.000 0.000 0.264 79 M C 1.242 177.875 176.300 0.555 0.000 1.163 79 M CA 0.525 56.172 55.300 0.579 0.000 1.186 79 M CB 0.019 32.939 32.600 0.534 0.000 1.321 79 M HN 0.085 nan 8.290 nan 0.000 0.485 80 L N 1.530 123.086 121.223 0.554 0.000 2.499 80 L HA -0.098 4.242 4.340 -0.000 0.000 0.281 80 L C 0.967 178.109 176.870 0.454 0.000 1.234 80 L CA 0.200 55.322 54.840 0.470 0.000 0.839 80 L CB -0.311 42.083 42.059 0.559 0.000 1.104 80 L HN 0.476 nan 8.230 nan 0.000 0.500 81 N N -0.134 118.743 118.700 0.295 0.000 2.717 81 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 81 N C 0.142 175.740 175.510 0.146 0.000 1.099 81 N CA 1.040 54.199 53.050 0.182 0.000 0.843 81 N CB -0.464 38.094 38.487 0.118 0.000 1.155 81 N HN 0.908 nan 8.380 nan 0.000 0.580 82 G N -0.343 108.552 108.800 0.159 0.000 2.451 82 G HA2 0.635 4.595 3.960 -0.000 0.000 0.303 82 G HA3 0.635 4.595 3.960 -0.000 0.000 0.303 82 G C -0.419 174.412 174.900 -0.115 0.000 1.166 82 G CA -0.547 44.534 45.100 -0.033 0.000 0.884 82 G HN 0.259 nan 8.290 nan 0.000 0.514 83 I N 1.158 121.538 120.570 -0.316 0.000 2.466 83 I HA 0.261 4.431 4.170 -0.000 0.000 0.279 83 I C -1.102 174.832 176.117 -0.305 0.000 1.033 83 I CA -0.439 60.746 61.300 -0.193 0.000 1.123 83 I CB 1.044 38.977 38.000 -0.111 0.000 1.237 83 I HN 0.345 nan 8.210 nan 0.000 0.460 84 Y N 3.417 123.758 120.300 0.069 0.000 2.496 84 Y HA 0.399 4.949 4.550 -0.000 0.000 0.331 84 Y C 0.480 176.415 175.900 0.058 0.000 1.140 84 Y CA -0.957 57.183 58.100 0.066 0.000 1.166 84 Y CB 0.911 39.417 38.460 0.077 0.000 1.249 84 Y HN 0.551 nan 8.280 nan 0.000 0.479 85 D N -0.386 120.148 120.400 0.222 0.000 2.433 85 D HA 0.138 4.778 4.640 -0.000 0.000 0.255 85 D C 1.423 177.809 176.300 0.144 0.000 1.226 85 D CA -0.349 53.739 54.000 0.147 0.000 1.015 85 D CB 0.349 41.215 40.800 0.110 0.000 1.091 85 D HN 0.689 nan 8.370 nan 0.000 0.527 86 G N -0.938 107.921 108.800 0.099 0.000 2.586 86 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 86 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 86 G C 1.188 176.133 174.900 0.075 0.000 1.128 86 G CA 0.896 46.045 45.100 0.082 0.000 0.774 86 G HN 0.670 nan 8.290 nan 0.000 0.543 87 I N -4.539 116.079 120.570 0.081 0.000 3.424 87 I HA 0.434 4.604 4.170 -0.000 0.000 0.339 87 I C 0.415 176.579 176.117 0.078 0.000 1.549 87 I CA -0.655 60.694 61.300 0.081 0.000 1.049 87 I CB 0.413 38.471 38.000 0.097 0.000 1.439 87 I HN -0.001 nan 8.210 nan 0.000 0.500 88 Q N 2.138 121.976 119.800 0.065 0.000 2.463 88 Q HA -0.173 4.167 4.340 -0.000 0.000 0.299 88 Q C -0.901 175.181 176.000 0.136 0.000 1.353 88 Q CA 0.811 56.599 55.803 -0.025 0.000 0.828 88 Q CB -0.510 28.119 28.738 -0.181 0.000 1.157 88 Q HN 0.791 nan 8.270 nan 0.000 0.436 89 R N 0.744 121.411 120.500 0.277 0.000 2.562 89 R HA 0.554 4.894 4.340 -0.000 0.000 0.298 89 R C -2.584 173.915 176.300 0.330 0.000 0.961 89 R CA -2.095 54.169 56.100 0.275 0.000 0.881 89 R CB 1.175 31.562 30.300 0.146 0.000 1.159 89 R HN -0.020 nan 8.270 nan 0.000 0.450 90 P HA 0.098 nan 4.420 nan 0.000 0.281 90 P C 0.197 177.480 177.300 -0.028 0.000 1.286 90 P CA -0.173 62.888 63.100 -0.065 0.000 0.772 90 P CB 0.754 32.423 31.700 -0.051 0.000 0.862 91 L N 1.970 123.157 121.223 -0.060 0.000 2.240 91 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 91 L C 2.295 179.151 176.870 -0.023 0.000 1.106 91 L CA 1.117 55.948 54.840 -0.015 0.000 0.793 91 L CB -0.481 41.573 42.059 -0.008 0.000 0.927 91 L HN 0.319 nan 8.230 nan 0.000 0.446 92 E N 0.364 120.534 120.200 -0.049 0.000 2.031 92 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 92 E C 2.311 178.904 176.600 -0.013 0.000 0.994 92 E CA 1.003 57.383 56.400 -0.033 0.000 0.800 92 E CB -0.144 29.532 29.700 -0.041 0.000 0.752 92 E HN 0.364 nan 8.360 nan 0.000 0.447 93 R N 0.525 121.021 120.500 -0.006 0.000 2.096 93 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 93 R C 2.526 178.838 176.300 0.020 0.000 1.127 93 R CA 0.685 56.794 56.100 0.015 0.000 0.968 93 R CB -0.852 29.468 30.300 0.035 0.000 0.861 93 R HN 0.300 nan 8.270 nan 0.000 0.440 94 I N 0.499 121.081 120.570 0.020 0.000 2.179 94 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 94 I C 2.921 179.049 176.117 0.019 0.000 1.088 94 I CA 1.095 62.410 61.300 0.025 0.000 1.357 94 I CB -0.379 37.640 38.000 0.032 0.000 1.051 94 I HN 0.120 nan 8.210 nan 0.000 0.409 95 R N 1.396 121.901 120.500 0.008 0.000 2.094 95 R HA -0.242 4.098 4.340 -0.000 0.000 0.239 95 R C 2.138 178.440 176.300 0.003 0.000 1.137 95 R CA 2.198 58.298 56.100 -0.000 0.000 0.943 95 R CB -0.324 29.968 30.300 -0.013 0.000 0.850 95 R HN 0.423 nan 8.270 nan 0.000 0.433 96 E N 0.057 120.260 120.200 0.004 0.000 2.097 96 E HA -0.212 4.137 4.350 -0.000 0.000 0.196 96 E C 2.115 178.723 176.600 0.014 0.000 1.000 96 E CA 1.606 58.011 56.400 0.007 0.000 0.804 96 E CB 0.015 29.720 29.700 0.008 0.000 0.740 96 E HN 0.378 nan 8.360 nan 0.000 0.454 97 K N -0.521 119.890 120.400 0.019 0.000 2.167 97 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 97 K C 2.139 178.754 176.600 0.026 0.000 1.052 97 K CA 1.606 57.907 56.287 0.023 0.000 0.956 97 K CB 0.199 32.715 32.500 0.027 0.000 0.735 97 K HN 0.206 nan 8.250 nan 0.000 0.451 98 T N -3.471 111.099 114.554 0.028 0.000 2.969 98 T HA 0.317 4.666 4.350 -0.000 0.000 0.258 98 T C 0.806 175.532 174.700 0.044 0.000 0.962 98 T CA 0.483 62.606 62.100 0.039 0.000 0.903 98 T CB 0.886 69.783 68.868 0.049 0.000 1.177 98 T HN 0.324 nan 8.240 nan 0.000 0.511 99 G N 2.302 111.116 108.800 0.023 0.000 2.451 99 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.208 99 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.208 99 G C 0.654 175.531 174.900 -0.038 0.000 1.248 99 G CA -0.021 45.081 45.100 0.004 0.000 0.989 99 G HN 1.057 nan 8.290 nan 0.000 0.559 100 I N -1.675 118.827 120.570 -0.112 0.000 2.394 100 I HA 0.239 4.409 4.170 -0.000 0.000 0.251 100 I C 1.190 177.107 176.117 -0.334 0.000 1.136 100 I CA 0.791 61.925 61.300 -0.275 0.000 1.425 100 I CB -0.228 37.505 38.000 -0.444 0.000 1.079 100 I HN 0.342 nan 8.210 nan 0.000 0.425 101 Y N 1.277 121.585 120.300 0.012 0.000 2.453 101 Y HA 0.583 5.133 4.550 -0.000 0.000 0.326 101 Y C 0.263 176.172 175.900 0.015 0.000 1.186 101 Y CA -1.007 57.101 58.100 0.013 0.000 1.200 101 Y CB 1.296 39.764 38.460 0.012 0.000 1.247 101 Y HN -0.137 nan 8.280 nan 0.000 0.482 102 I N 2.138 122.822 120.570 0.190 0.000 2.301 102 I HA 0.129 4.299 4.170 -0.000 0.000 0.292 102 I C -0.028 176.147 176.117 0.097 0.000 1.046 102 I CA -0.172 61.195 61.300 0.112 0.000 1.282 102 I CB 0.730 38.781 38.000 0.084 0.000 1.409 102 I HN 0.593 nan 8.210 nan 0.000 0.484 103 T N 6.866 121.467 114.554 0.079 0.000 2.869 103 T HA 0.202 4.552 4.350 -0.000 0.000 0.295 103 T C 0.411 175.138 174.700 0.046 0.000 0.987 103 T CA -0.504 61.630 62.100 0.057 0.000 1.109 103 T CB 0.451 69.350 68.868 0.052 0.000 0.932 103 T HN 0.604 nan 8.240 nan 0.000 0.518 104 R N 2.166 122.688 120.500 0.037 0.000 2.738 104 R HA 0.437 4.776 4.340 -0.000 0.000 0.268 104 R C 0.988 177.304 176.300 0.028 0.000 1.062 104 R CA 0.370 56.491 56.100 0.035 0.000 1.158 104 R CB -0.096 30.222 30.300 0.030 0.000 1.046 104 R HN 0.784 nan 8.270 nan 0.000 0.493 105 G N 0.860 109.677 108.800 0.028 0.000 2.153 105 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 105 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 105 G C -0.064 174.843 174.900 0.013 0.000 0.994 105 G CA 0.176 45.286 45.100 0.016 0.000 0.698 105 G HN 0.488 nan 8.290 nan 0.000 0.521 106 V N 0.415 120.341 119.914 0.020 0.000 2.508 106 V HA 0.431 4.551 4.120 -0.000 0.000 0.281 106 V C 0.890 176.984 176.094 0.001 0.000 1.041 106 V CA 0.298 62.608 62.300 0.015 0.000 1.016 106 V CB 1.724 33.563 31.823 0.027 0.000 0.984 106 V HN 0.865 nan 8.190 nan 0.000 0.478 107 V N 7.857 127.761 119.914 -0.017 0.000 2.250 107 V HA 0.565 4.685 4.120 -0.000 0.000 0.268 107 V C -0.156 175.880 176.094 -0.096 0.000 1.043 107 V CA -0.194 62.068 62.300 -0.063 0.000 0.814 107 V CB 1.163 32.942 31.823 -0.073 0.000 1.072 107 V HN 0.716 nan 8.190 nan 0.000 0.451 108 V N 3.516 123.381 119.914 -0.081 0.000 3.267 108 V HA 0.727 4.847 4.120 -0.000 0.000 0.317 108 V C -0.269 175.739 176.094 -0.144 0.000 1.131 108 V CA -0.751 61.517 62.300 -0.054 0.000 1.031 108 V CB 1.857 33.705 31.823 0.042 0.000 1.159 108 V HN 0.778 nan 8.190 nan 0.000 0.454 109 H N 0.035 119.134 119.070 0.049 0.000 2.495 109 H HA 0.600 5.155 4.556 -0.000 0.000 0.348 109 H C 0.949 176.319 175.328 0.070 0.000 1.113 109 H CA 0.050 56.116 56.048 0.031 0.000 1.195 109 H CB 2.296 32.055 29.762 -0.005 0.000 1.521 109 H HN 0.935 nan 8.280 nan 0.000 0.509 110 A N 3.706 126.623 122.820 0.163 0.000 1.892 110 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 110 A C 0.674 178.401 177.584 0.239 0.000 1.188 110 A CA 1.335 53.483 52.037 0.185 0.000 0.631 110 A CB -0.096 18.859 19.000 -0.075 0.000 0.822 110 A HN 0.308 nan 8.150 nan 0.000 0.447 111 L N 0.653 121.911 121.223 0.059 0.000 2.296 111 L HA 0.323 4.663 4.340 -0.000 0.000 0.286 111 L C -0.100 176.785 176.870 0.024 0.000 1.023 111 L CA -1.009 53.843 54.840 0.020 0.000 0.812 111 L CB 1.100 43.030 42.059 -0.214 0.000 1.223 111 L HN 0.276 nan 8.230 nan 0.000 0.421 112 D N 3.377 123.842 120.400 0.110 0.000 2.472 112 D HA -0.053 4.587 4.640 -0.000 0.000 0.248 112 D C 0.707 177.028 176.300 0.036 0.000 1.174 112 D CA 0.022 54.070 54.000 0.081 0.000 0.883 112 D CB 1.085 41.949 40.800 0.106 0.000 1.149 112 D HN 0.352 nan 8.370 nan 0.000 0.488 113 R N 3.022 123.488 120.500 -0.057 0.000 2.276 113 R HA 0.001 4.340 4.340 -0.000 0.000 0.196 113 R C 1.240 177.530 176.300 -0.016 0.000 0.961 113 R CA 0.283 56.336 56.100 -0.077 0.000 1.024 113 R CB 0.279 30.451 30.300 -0.214 0.000 0.940 113 R HN 0.569 nan 8.270 nan 0.000 0.480 114 E N 0.975 121.168 120.200 -0.011 0.000 2.127 114 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 114 E C 0.560 177.136 176.600 -0.040 0.000 0.964 114 E CA 0.089 56.478 56.400 -0.019 0.000 0.832 114 E CB 0.079 29.765 29.700 -0.023 0.000 0.790 114 E HN 0.109 nan 8.360 nan 0.000 0.465 115 K N 2.280 122.641 120.400 -0.065 0.000 2.484 115 K HA -0.054 4.265 4.320 -0.000 0.000 0.280 115 K C -0.127 176.330 176.600 -0.238 0.000 1.013 115 K CA 0.337 56.501 56.287 -0.206 0.000 1.029 115 K CB 0.486 32.806 32.500 -0.300 0.000 0.902 115 K HN -0.325 nan 8.250 nan 0.000 0.481 116 K N 4.235 124.455 120.400 -0.300 0.000 2.201 116 K HA 0.172 4.492 4.320 -0.000 0.000 0.278 116 K C -0.963 175.436 176.600 -0.335 0.000 1.027 116 K CA -0.188 55.982 56.287 -0.194 0.000 0.909 116 K CB 0.782 33.205 32.500 -0.127 0.000 1.062 116 K HN 0.506 nan 8.250 nan 0.000 0.465 117 W N 0.117 121.442 121.300 0.041 0.000 2.689 117 W HA 0.439 5.098 4.660 -0.000 0.000 0.340 117 W C -0.024 176.571 176.519 0.127 0.000 1.060 117 W CA -0.958 56.428 57.345 0.067 0.000 1.218 117 W CB 1.452 30.962 29.460 0.084 0.000 1.410 117 W HN 0.552 nan 8.180 nan 0.000 0.528 118 A N 4.010 127.054 122.820 0.374 0.000 2.798 118 A HA 0.132 4.452 4.320 -0.000 0.000 0.316 118 A C -0.546 177.260 177.584 0.370 0.000 1.506 118 A CA -0.557 51.648 52.037 0.280 0.000 1.162 118 A CB -0.347 18.750 19.000 0.163 0.000 1.138 118 A HN 0.764 nan 8.150 nan 0.000 0.532 119 W N 3.553 125.014 121.300 0.267 0.000 2.417 119 W HA 0.150 4.810 4.660 -0.000 0.000 0.332 119 W C -1.268 175.363 176.519 0.186 0.000 1.413 119 W CA 0.617 58.116 57.345 0.257 0.000 1.299 119 W CB 0.536 30.240 29.460 0.408 0.000 1.304 119 W HN 0.449 nan 8.180 nan 0.000 0.565 120 T N 9.266 123.556 114.554 -0.441 0.000 2.842 120 T HA 0.229 4.579 4.350 -0.000 0.000 0.308 120 T C -2.305 171.724 174.700 -1.118 0.000 1.041 120 T CA -1.131 60.618 62.100 -0.585 0.000 0.964 120 T CB 1.451 70.170 68.868 -0.249 0.000 0.972 120 T HN 0.254 nan 8.240 nan 0.000 0.460 121 P HA 0.288 nan 4.420 nan 0.000 0.275 121 P C -0.211 176.841 177.300 -0.412 0.000 1.228 121 P CA -0.358 62.173 63.100 -0.948 0.000 0.786 121 P CB 0.904 32.434 31.700 -0.284 0.000 0.927 122 M N 1.348 120.800 119.600 -0.247 0.000 2.504 122 M HA 0.154 4.634 4.480 -0.000 0.000 0.370 122 M C -0.150 176.129 176.300 -0.035 0.000 1.110 122 M CA -0.203 55.027 55.300 -0.116 0.000 0.938 122 M CB 0.843 33.381 32.600 -0.104 0.000 1.460 122 M HN 0.149 nan 8.290 nan 0.000 0.535 123 V N -2.474 117.441 119.914 0.003 0.000 2.971 123 V HA 0.679 4.799 4.120 -0.000 0.000 0.309 123 V C -1.114 175.006 176.094 0.043 0.000 1.130 123 V CA -0.967 61.351 62.300 0.030 0.000 0.964 123 V CB 2.324 34.178 31.823 0.053 0.000 1.029 123 V HN 0.181 nan 8.190 nan 0.000 0.427 124 K N 2.450 122.869 120.400 0.031 0.000 2.306 124 K HA 0.732 5.051 4.320 -0.000 0.000 0.236 124 K C -2.880 173.739 176.600 0.031 0.000 1.013 124 K CA -2.108 54.199 56.287 0.033 0.000 0.857 124 K CB 1.794 34.307 32.500 0.021 0.000 1.214 124 K HN 0.486 nan 8.250 nan 0.000 0.449 125 P HA -0.027 nan 4.420 nan 0.000 0.268 125 P C 0.492 177.801 177.300 0.015 0.000 1.208 125 P CA 0.819 63.932 63.100 0.021 0.000 0.777 125 P CB 0.462 32.174 31.700 0.020 0.000 0.875 126 G N 0.696 109.503 108.800 0.011 0.000 2.267 126 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.257 126 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.257 126 G C 0.004 174.907 174.900 0.006 0.000 0.998 126 G CA 0.060 45.164 45.100 0.007 0.000 0.620 126 G HN 0.529 nan 8.290 nan 0.000 0.529 127 D N 1.913 122.318 120.400 0.009 0.000 2.443 127 D HA 0.432 5.072 4.640 -0.000 0.000 0.239 127 D C 0.606 176.908 176.300 0.004 0.000 1.136 127 D CA 0.352 54.357 54.000 0.008 0.000 0.879 127 D CB 0.564 41.371 40.800 0.012 0.000 1.195 127 D HN 0.319 nan 8.370 nan 0.000 0.443 128 E N 0.716 120.917 120.200 0.001 0.000 2.249 128 E HA 0.373 4.722 4.350 -0.000 0.000 0.280 128 E C -0.424 176.173 176.600 -0.005 0.000 1.016 128 E CA -0.730 55.669 56.400 -0.003 0.000 0.830 128 E CB 1.727 31.425 29.700 -0.004 0.000 1.081 128 E HN 0.233 nan 8.360 nan 0.000 0.395 129 V N 0.748 120.658 119.914 -0.008 0.000 2.656 129 V HA 0.650 4.770 4.120 -0.000 0.000 0.307 129 V C -0.179 175.903 176.094 -0.020 0.000 1.051 129 V CA -1.130 61.162 62.300 -0.012 0.000 0.893 129 V CB 2.189 34.006 31.823 -0.010 0.000 0.999 129 V HN 0.429 nan 8.190 nan 0.000 0.426 130 R N 2.037 122.522 120.500 -0.025 0.000 2.828 130 R HA 0.655 4.995 4.340 -0.000 0.000 0.264 130 R C 0.536 176.809 176.300 -0.046 0.000 1.022 130 R CA -0.153 55.929 56.100 -0.030 0.000 1.021 130 R CB 1.951 32.235 30.300 -0.027 0.000 1.163 130 R HN 1.169 nan 8.270 nan 0.000 0.494 131 G N -0.638 108.131 108.800 -0.051 0.000 2.391 131 G HA2 0.283 4.243 3.960 -0.000 0.000 0.234 131 G HA3 0.283 4.243 3.960 -0.000 0.000 0.234 131 G C 0.902 175.747 174.900 -0.092 0.000 1.284 131 G CA 0.722 45.775 45.100 -0.079 0.000 0.873 131 G HN 0.727 nan 8.290 nan 0.000 0.549 132 G N 1.162 109.888 108.800 -0.123 0.000 2.253 132 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 132 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 132 G C 0.700 175.540 174.900 -0.099 0.000 0.998 132 G CA 0.590 45.614 45.100 -0.126 0.000 0.621 132 G HN 0.736 nan 8.290 nan 0.000 0.524 133 M N 0.825 120.382 119.600 -0.072 0.000 2.226 133 M HA 0.423 4.902 4.480 -0.000 0.000 0.324 133 M C 0.805 177.084 176.300 -0.036 0.000 1.112 133 M CA -0.169 55.100 55.300 -0.050 0.000 1.176 133 M CB 1.144 33.724 32.600 -0.034 0.000 1.430 133 M HN -0.036 nan 8.290 nan 0.000 0.462 134 V N 3.731 123.631 119.914 -0.023 0.000 2.488 134 V HA 0.057 4.177 4.120 -0.000 0.000 0.277 134 V C 0.986 177.100 176.094 0.033 0.000 1.046 134 V CA -0.028 62.271 62.300 -0.001 0.000 0.986 134 V CB 0.856 32.673 31.823 -0.010 0.000 0.989 134 V HN 0.813 nan 8.190 nan 0.000 0.475 135 L N 3.458 124.737 121.223 0.093 0.000 2.249 135 L HA 0.448 4.788 4.340 -0.000 0.000 0.207 135 L C 1.151 178.107 176.870 0.144 0.000 1.090 135 L CA 1.144 56.086 54.840 0.169 0.000 0.802 135 L CB 0.116 42.339 42.059 0.273 0.000 0.947 135 L HN 0.884 nan 8.230 nan 0.000 0.453 136 G N -1.709 107.137 108.800 0.077 0.000 2.341 136 G HA2 0.339 4.299 3.960 -0.000 0.000 0.299 136 G HA3 0.339 4.299 3.960 -0.000 0.000 0.299 136 G C -1.534 173.328 174.900 -0.063 0.000 1.274 136 G CA -0.315 44.632 45.100 -0.256 0.000 0.853 136 G HN -0.263 nan 8.290 nan 0.000 0.493 137 T N -1.151 113.308 114.554 -0.158 0.000 2.896 137 T HA 0.705 5.055 4.350 -0.000 0.000 0.297 137 T C -1.597 173.175 174.700 0.120 0.000 1.108 137 T CA -0.333 61.790 62.100 0.038 0.000 1.004 137 T CB 1.990 70.866 68.868 0.013 0.000 1.159 137 T HN 0.999 nan 8.240 nan 0.000 0.499 138 V N 4.930 124.964 119.914 0.199 0.000 2.752 138 V HA 0.481 4.600 4.120 -0.000 0.000 0.302 138 V C -2.428 173.825 176.094 0.265 0.000 1.133 138 V CA -1.836 60.608 62.300 0.238 0.000 0.919 138 V CB 2.732 34.668 31.823 0.188 0.000 1.026 138 V HN 0.727 nan 8.190 nan 0.000 0.429 139 P HA 0.211 nan 4.420 nan 0.000 0.271 139 P C -0.890 176.618 177.300 0.347 0.000 1.220 139 P CA 0.068 63.330 63.100 0.269 0.000 0.768 139 P CB 0.888 32.703 31.700 0.190 0.000 0.848 140 E N 3.695 124.102 120.200 0.345 0.000 2.267 140 E HA 0.322 4.671 4.350 -0.000 0.000 0.248 140 E C -0.152 176.619 176.600 0.285 0.000 0.899 140 E CA -0.579 56.010 56.400 0.314 0.000 0.764 140 E CB 0.201 30.154 29.700 0.421 0.000 1.227 140 E HN 0.325 nan 8.360 nan 0.000 0.421 141 F N 1.353 121.437 119.950 0.223 0.000 2.484 141 F HA -0.439 4.087 4.527 -0.000 0.000 0.231 141 F C 1.709 177.554 175.800 0.075 0.000 1.469 141 F CA 1.358 59.430 58.000 0.120 0.000 1.998 141 F CB -1.298 37.765 39.000 0.104 0.000 0.484 141 F HN 0.616 nan 8.300 nan 0.000 0.213 142 G N -0.538 108.394 108.800 0.221 0.000 2.539 142 G HA2 0.160 4.120 3.960 -0.000 0.000 0.215 142 G HA3 0.160 4.120 3.960 -0.000 0.000 0.215 142 G C 0.070 174.887 174.900 -0.138 0.000 1.141 142 G CA 0.033 45.082 45.100 -0.084 0.000 0.806 142 G HN 0.203 nan 8.290 nan 0.000 0.533 143 F N 1.166 121.225 119.950 0.182 0.000 2.384 143 F HA 0.303 4.830 4.527 -0.000 0.000 0.338 143 F C 0.521 176.456 175.800 0.225 0.000 1.103 143 F CA -0.539 57.549 58.000 0.147 0.000 1.157 143 F CB 1.630 40.715 39.000 0.141 0.000 1.167 143 F HN -0.253 nan 8.300 nan 0.000 0.529 144 T N 2.128 116.989 114.554 0.512 0.000 3.176 144 T HA 0.041 4.391 4.350 -0.000 0.000 0.301 144 T C -0.344 174.624 174.700 0.447 0.000 1.115 144 T CA -0.216 62.113 62.100 0.382 0.000 1.027 144 T CB -0.968 68.064 68.868 0.273 0.000 1.063 144 T HN 0.439 nan 8.240 nan 0.000 0.669 145 H N 3.340 122.610 119.070 0.333 0.000 3.004 145 H HA 0.122 4.678 4.556 -0.000 0.000 0.316 145 H C 0.357 175.761 175.328 0.126 0.000 1.014 145 H CA 0.081 56.276 56.048 0.245 0.000 1.454 145 H CB 0.422 30.298 29.762 0.189 0.000 1.472 145 H HN 0.331 nan 8.280 nan 0.000 0.571 146 K N 5.820 126.306 120.400 0.143 0.000 2.172 146 K HA 0.209 4.529 4.320 -0.000 0.000 0.276 146 K C -0.534 176.180 176.600 0.191 0.000 1.013 146 K CA -0.927 55.421 56.287 0.102 0.000 0.913 146 K CB 1.636 34.098 32.500 -0.063 0.000 1.055 146 K HN 0.451 nan 8.250 nan 0.000 0.461 147 I N 4.671 125.368 120.570 0.213 0.000 2.352 147 I HA 0.197 4.367 4.170 -0.000 0.000 0.290 147 I C 0.191 176.393 176.117 0.143 0.000 1.036 147 I CA -0.448 60.992 61.300 0.234 0.000 1.336 147 I CB -0.016 38.185 38.000 0.334 0.000 1.407 147 I HN 0.405 nan 8.210 nan 0.000 0.497 148 L N 6.209 127.508 121.223 0.126 0.000 2.331 148 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 148 L C 0.019 176.865 176.870 -0.040 0.000 1.022 148 L CA -1.140 53.714 54.840 0.023 0.000 0.812 148 L CB 1.783 43.834 42.059 -0.013 0.000 1.257 148 L HN 0.148 nan 8.230 nan 0.000 0.435 149 V N 3.215 123.079 119.914 -0.084 0.000 2.529 149 V HA 0.062 4.182 4.120 -0.000 0.000 0.292 149 V C -1.907 174.023 176.094 -0.273 0.000 1.028 149 V CA -1.074 61.145 62.300 -0.134 0.000 1.074 149 V CB 0.338 32.107 31.823 -0.091 0.000 0.958 149 V HN 0.610 nan 8.190 nan 0.000 0.481 150 P HA 0.094 nan 4.420 nan 0.000 0.266 150 P C -2.502 174.640 177.300 -0.264 0.000 1.193 150 P CA -0.695 62.044 63.100 -0.601 0.000 0.770 150 P CB -0.166 31.317 31.700 -0.362 0.000 0.836 151 P HA 0.003 nan 4.420 nan 0.000 0.270 151 P C -0.003 177.318 177.300 0.037 0.000 1.223 151 P CA 0.681 63.726 63.100 -0.091 0.000 0.785 151 P CB 0.290 31.904 31.700 -0.142 0.000 0.923 152 D N -2.285 118.137 120.400 0.037 0.000 2.078 152 D HA -0.126 4.514 4.640 -0.000 0.000 0.169 152 D C -0.047 176.262 176.300 0.014 0.000 1.364 152 D CA 0.946 54.979 54.000 0.056 0.000 1.286 152 D CB -1.393 39.477 40.800 0.118 0.000 1.274 152 D HN 0.143 nan 8.370 nan 0.000 0.522 153 V N 1.998 121.904 119.914 -0.015 0.000 2.785 153 V HA 0.707 4.827 4.120 -0.000 0.000 0.300 153 V C 0.742 176.817 176.094 -0.031 0.000 1.062 153 V CA 0.078 62.361 62.300 -0.029 0.000 1.029 153 V CB 1.881 33.673 31.823 -0.052 0.000 1.024 153 V HN 0.300 nan 8.190 nan 0.000 0.477 154 R N 2.173 122.657 120.500 -0.025 0.000 2.765 154 R HA 0.745 5.085 4.340 -0.000 0.000 0.277 154 R C -0.409 175.880 176.300 -0.018 0.000 1.028 154 R CA -0.217 55.869 56.100 -0.022 0.000 0.860 154 R CB 1.469 31.759 30.300 -0.018 0.000 1.270 154 R HN 1.283 nan 8.270 nan 0.000 0.484 155 G N 0.749 109.539 108.800 -0.016 0.000 2.352 155 G HA2 0.161 4.120 3.960 -0.000 0.000 0.283 155 G HA3 0.161 4.120 3.960 -0.000 0.000 0.283 155 G C -1.736 173.158 174.900 -0.010 0.000 1.308 155 G CA -1.103 43.990 45.100 -0.013 0.000 0.892 155 G HN 0.621 nan 8.290 nan 0.000 0.504 156 R N -0.508 119.988 120.500 -0.008 0.000 2.486 156 R HA 0.631 4.971 4.340 -0.000 0.000 0.286 156 R C -0.355 175.943 176.300 -0.003 0.000 0.999 156 R CA -0.762 55.336 56.100 -0.004 0.000 0.993 156 R CB 2.152 32.450 30.300 -0.003 0.000 1.084 156 R HN 0.297 nan 8.270 nan 0.000 0.487 157 V N 3.296 123.211 119.914 0.002 0.000 2.521 157 V HA -0.026 4.094 4.120 -0.000 0.000 0.286 157 V C 1.388 177.485 176.094 0.005 0.000 1.034 157 V CA 0.447 62.751 62.300 0.006 0.000 1.045 157 V CB 0.950 32.784 31.823 0.019 0.000 0.974 157 V HN 0.828 nan 8.190 nan 0.000 0.480 158 K N 3.982 124.383 120.400 0.001 0.000 2.108 158 K HA 0.129 4.449 4.320 -0.000 0.000 0.204 158 K C 0.676 177.279 176.600 0.006 0.000 1.036 158 K CA 0.508 56.796 56.287 0.001 0.000 0.965 158 K CB 0.382 32.879 32.500 -0.005 0.000 0.804 158 K HN 0.901 nan 8.250 nan 0.000 0.454 159 E N -0.102 120.099 120.200 0.002 0.000 2.410 159 E HA 0.450 4.800 4.350 -0.000 0.000 0.269 159 E C -1.254 175.354 176.600 0.014 0.000 0.937 159 E CA -1.095 55.311 56.400 0.009 0.000 0.793 159 E CB 2.404 32.105 29.700 0.001 0.000 1.314 159 E HN -0.099 nan 8.360 nan 0.000 0.447 160 V N 0.890 120.826 119.914 0.037 0.000 2.808 160 V HA 0.277 4.396 4.120 -0.000 0.000 0.308 160 V C -0.602 175.545 176.094 0.087 0.000 1.099 160 V CA -1.221 61.128 62.300 0.081 0.000 0.920 160 V CB 2.034 33.949 31.823 0.153 0.000 1.014 160 V HN 0.556 nan 8.190 nan 0.000 0.425 161 K N 4.792 125.213 120.400 0.034 0.000 2.368 161 K HA 0.304 4.623 4.320 -0.000 0.000 0.282 161 K C -2.387 174.436 176.600 0.372 0.000 1.035 161 K CA -1.637 54.663 56.287 0.021 0.000 0.973 161 K CB 0.969 33.142 32.500 -0.545 0.000 0.957 161 K HN 0.393 nan 8.250 nan 0.000 0.474 162 P HA -0.014 nan 4.420 nan 0.000 0.269 162 P C -0.535 177.054 177.300 0.482 0.000 1.215 162 P CA -0.317 62.974 63.100 0.318 0.000 0.780 162 P CB 0.451 32.283 31.700 0.220 0.000 0.898 163 A N 1.820 124.811 122.820 0.284 0.000 2.616 163 A HA 0.388 4.708 4.320 -0.000 0.000 0.234 163 A C 0.927 178.700 177.584 0.315 0.000 1.024 163 A CA 1.345 53.530 52.037 0.247 0.000 0.758 163 A CB -1.270 17.770 19.000 0.067 0.000 0.939 163 A HN 0.888 nan 8.150 nan 0.000 0.510 164 G N 1.148 110.149 108.800 0.335 0.000 2.315 164 G HA2 0.458 4.417 3.960 -0.000 0.000 0.294 164 G HA3 0.458 4.417 3.960 -0.000 0.000 0.294 164 G C -1.389 173.376 174.900 -0.225 0.000 1.300 164 G CA -0.799 44.291 45.100 -0.018 0.000 0.843 164 G HN 0.710 nan 8.290 nan 0.000 0.527 165 E N 0.211 120.114 120.200 -0.495 0.000 2.109 165 E HA 0.538 4.887 4.350 -0.000 0.000 0.278 165 E C -1.288 174.995 176.600 -0.527 0.000 0.954 165 E CA -0.240 55.966 56.400 -0.324 0.000 0.779 165 E CB 1.429 31.035 29.700 -0.157 0.000 1.093 165 E HN 0.390 nan 8.360 nan 0.000 0.401 166 Y N -0.141 120.243 120.300 0.140 0.000 2.602 166 Y HA 0.272 4.822 4.550 -0.000 0.000 0.342 166 Y C 0.931 176.924 175.900 0.155 0.000 1.029 166 Y CA -1.041 57.118 58.100 0.098 0.000 1.080 166 Y CB 1.510 39.989 38.460 0.033 0.000 1.284 166 Y HN 0.380 nan 8.280 nan 0.000 0.485 167 T N -2.373 112.355 114.554 0.290 0.000 2.862 167 T HA 0.296 4.646 4.350 -0.000 0.000 0.276 167 T C 1.075 175.931 174.700 0.260 0.000 0.974 167 T CA -0.109 62.156 62.100 0.275 0.000 0.966 167 T CB 0.919 69.877 68.868 0.149 0.000 1.072 167 T HN 0.713 nan 8.240 nan 0.000 0.538 168 V N -1.468 118.590 119.914 0.240 0.000 2.970 168 V HA 0.122 4.241 4.120 -0.000 0.000 0.260 168 V C 2.200 178.433 176.094 0.232 0.000 1.100 168 V CA 1.610 64.010 62.300 0.166 0.000 1.122 168 V CB -1.286 30.577 31.823 0.067 0.000 0.721 168 V HN 0.861 nan 8.190 nan 0.000 0.483 169 E N 1.223 121.523 120.200 0.165 0.000 2.285 169 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 169 E C 0.950 177.579 176.600 0.048 0.000 0.997 169 E CA 0.303 56.796 56.400 0.155 0.000 0.845 169 E CB -0.136 29.612 29.700 0.081 0.000 0.782 169 E HN 0.819 nan 8.360 nan 0.000 0.491 170 E N 1.326 121.529 120.200 0.005 0.000 2.316 170 E HA 0.107 4.457 4.350 -0.000 0.000 0.275 170 E C -2.234 174.239 176.600 -0.212 0.000 1.029 170 E CA -1.929 54.419 56.400 -0.086 0.000 0.871 170 E CB 0.707 30.366 29.700 -0.069 0.000 1.022 170 E HN 0.025 nan 8.360 nan 0.000 0.418 171 P HA -0.070 nan 4.420 nan 0.000 0.259 171 P C 0.975 178.047 177.300 -0.379 0.000 1.635 171 P CA 0.147 63.099 63.100 -0.247 0.000 1.199 171 P CB -0.066 31.536 31.700 -0.163 0.000 1.850 172 V N 1.564 121.137 119.914 -0.568 0.000 2.626 172 V HA -0.055 4.065 4.120 -0.000 0.000 0.252 172 V C 0.781 176.564 176.094 -0.519 0.000 1.067 172 V CA 1.197 62.956 62.300 -0.903 0.000 1.081 172 V CB -0.432 30.366 31.823 -1.709 0.000 0.686 172 V HN 0.095 nan 8.190 nan 0.000 0.468 173 V N -0.029 119.696 119.914 -0.315 0.000 2.686 173 V HA 0.615 4.735 4.120 -0.000 0.000 0.306 173 V C -0.725 175.306 176.094 -0.106 0.000 1.065 173 V CA -0.463 61.761 62.300 -0.126 0.000 0.894 173 V CB 2.087 33.892 31.823 -0.030 0.000 1.004 173 V HN 0.125 nan 8.190 nan 0.000 0.424 174 V N 5.647 125.521 119.914 -0.066 0.000 2.656 174 V HA 0.551 4.670 4.120 -0.000 0.000 0.307 174 V C -0.231 175.843 176.094 -0.034 0.000 1.051 174 V CA -0.556 61.710 62.300 -0.057 0.000 0.893 174 V CB 1.970 33.759 31.823 -0.056 0.000 0.999 174 V HN 0.654 nan 8.190 nan 0.000 0.426 175 L N 2.455 123.658 121.223 -0.033 0.000 2.387 175 L HA 0.506 4.846 4.340 -0.000 0.000 0.266 175 L C 1.450 178.309 176.870 -0.018 0.000 1.059 175 L CA -0.529 54.298 54.840 -0.022 0.000 0.801 175 L CB 0.918 42.962 42.059 -0.024 0.000 1.223 175 L HN 0.652 nan 8.230 nan 0.000 0.456 176 E N 0.063 120.255 120.200 -0.013 0.000 2.153 176 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 176 E C 1.020 177.612 176.600 -0.012 0.000 0.988 176 E CA 1.143 57.536 56.400 -0.011 0.000 0.811 176 E CB 0.063 29.759 29.700 -0.007 0.000 0.746 176 E HN 0.634 nan 8.360 nan 0.000 0.466 177 D N -0.791 119.601 120.400 -0.014 0.000 2.239 177 D HA -0.169 4.471 4.640 -0.000 0.000 0.202 177 D C 1.466 177.755 176.300 -0.018 0.000 0.993 177 D CA 1.664 55.655 54.000 -0.016 0.000 0.874 177 D CB -0.137 40.652 40.800 -0.018 0.000 0.922 177 D HN 0.387 nan 8.370 nan 0.000 0.464 178 G N -1.725 107.063 108.800 -0.021 0.000 2.234 178 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.235 178 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.235 178 G C 0.608 175.489 174.900 -0.032 0.000 0.997 178 G CA 0.412 45.498 45.100 -0.024 0.000 0.623 178 G HN 0.390 nan 8.290 nan 0.000 0.514 179 T N 2.315 116.849 114.554 -0.034 0.000 2.905 179 T HA 0.364 4.714 4.350 -0.000 0.000 0.299 179 T C 0.236 174.902 174.700 -0.056 0.000 1.024 179 T CA 0.792 62.866 62.100 -0.043 0.000 1.151 179 T CB 0.707 69.550 68.868 -0.041 0.000 0.987 179 T HN 0.443 nan 8.240 nan 0.000 0.535 180 E N 2.768 122.926 120.200 -0.070 0.000 2.175 180 E HA 0.427 4.777 4.350 -0.000 0.000 0.278 180 E C -0.537 175.993 176.600 -0.117 0.000 0.969 180 E CA -0.543 55.801 56.400 -0.093 0.000 0.796 180 E CB 1.333 30.977 29.700 -0.092 0.000 1.104 180 E HN 0.453 nan 8.360 nan 0.000 0.395 181 L N 3.147 124.289 121.223 -0.136 0.000 2.329 181 L HA 0.486 4.826 4.340 -0.000 0.000 0.279 181 L C 0.144 176.886 176.870 -0.214 0.000 1.014 181 L CA -0.659 54.088 54.840 -0.155 0.000 0.814 181 L CB 1.319 43.308 42.059 -0.116 0.000 1.257 181 L HN 0.349 nan 8.230 nan 0.000 0.424 182 K N 1.743 122.002 120.400 -0.235 0.000 2.307 182 K HA 0.517 4.837 4.320 -0.000 0.000 0.239 182 K C 0.480 176.965 176.600 -0.192 0.000 1.083 182 K CA -0.863 55.271 56.287 -0.255 0.000 0.913 182 K CB 1.514 33.832 32.500 -0.303 0.000 1.322 182 K HN 0.490 nan 8.250 nan 0.000 0.514 183 M N 0.437 119.970 119.600 -0.111 0.000 2.562 183 M HA 0.004 4.483 4.480 -0.000 0.000 0.257 183 M C -0.276 176.063 176.300 0.065 0.000 1.099 183 M CA 1.072 56.346 55.300 -0.044 0.000 1.099 183 M CB 0.057 32.606 32.600 -0.085 0.000 1.427 183 M HN 0.454 nan 8.290 nan 0.000 0.489 184 Y N -1.685 118.572 120.300 -0.073 0.000 2.634 184 Y HA 0.651 5.200 4.550 -0.000 0.000 0.340 184 Y C -0.641 175.281 175.900 0.037 0.000 1.058 184 Y CA -1.860 56.197 58.100 -0.072 0.000 1.081 184 Y CB 0.729 39.088 38.460 -0.168 0.000 1.295 184 Y HN 0.082 nan 8.280 nan 0.000 0.487 185 H N -0.877 118.110 119.070 -0.138 0.000 2.946 185 H HA 0.588 5.143 4.556 -0.000 0.000 0.365 185 H C -1.100 174.268 175.328 0.066 0.000 1.197 185 H CA -0.451 55.491 56.048 -0.175 0.000 1.131 185 H CB 1.539 31.253 29.762 -0.080 0.000 1.849 185 H HN 0.942 nan 8.280 nan 0.000 0.555 186 T N -1.051 113.548 114.554 0.075 0.000 2.881 186 T HA 0.417 4.767 4.350 -0.000 0.000 0.278 186 T C -0.588 174.246 174.700 0.222 0.000 0.982 186 T CA -0.764 61.385 62.100 0.081 0.000 0.989 186 T CB 1.726 70.655 68.868 0.102 0.000 1.058 186 T HN 0.730 nan 8.240 nan 0.000 0.529 187 W N 2.794 124.068 121.300 -0.043 0.000 3.800 187 W HA 0.326 4.986 4.660 -0.000 0.000 0.299 187 W C -3.182 173.336 176.519 -0.002 0.000 1.231 187 W CA -2.244 55.106 57.345 0.008 0.000 1.232 187 W CB 1.801 31.272 29.460 0.018 0.000 1.291 187 W HN 0.606 nan 8.180 nan 0.000 0.514 188 P HA -0.007 nan 4.420 nan 0.000 0.271 188 P C 0.729 177.915 177.300 -0.190 0.000 1.220 188 P CA 0.341 63.202 63.100 -0.399 0.000 0.768 188 P CB 1.331 32.724 31.700 -0.511 0.000 0.848 189 V N 2.650 122.557 119.914 -0.011 0.000 2.871 189 V HA -0.077 4.042 4.120 -0.000 0.000 0.256 189 V C 1.698 177.859 176.094 0.111 0.000 1.082 189 V CA 0.991 63.363 62.300 0.119 0.000 1.105 189 V CB -1.044 30.859 31.823 0.133 0.000 0.713 189 V HN 0.374 nan 8.190 nan 0.000 0.473 190 R N 0.606 121.099 120.500 -0.013 0.000 2.310 190 R HA 0.259 4.599 4.340 -0.000 0.000 0.202 190 R C 0.981 177.280 176.300 -0.002 0.000 0.933 190 R CA -0.079 55.988 56.100 -0.056 0.000 1.054 190 R CB -0.013 30.167 30.300 -0.200 0.000 0.985 190 R HN 0.456 nan 8.270 nan 0.000 0.489 191 R N 1.601 122.123 120.500 0.036 0.000 2.246 191 R HA 0.311 4.651 4.340 -0.000 0.000 0.332 191 R C -0.806 175.690 176.300 0.326 0.000 0.974 191 R CA -0.287 55.869 56.100 0.093 0.000 0.837 191 R CB 1.141 31.397 30.300 -0.074 0.000 1.145 191 R HN 0.040 nan 8.270 nan 0.000 0.467 192 A N 4.985 127.950 122.820 0.241 0.000 2.580 192 A HA -0.037 4.283 4.320 -0.000 0.000 0.244 192 A C 0.030 177.802 177.584 0.313 0.000 1.045 192 A CA 0.353 52.527 52.037 0.227 0.000 0.761 192 A CB 0.071 19.145 19.000 0.123 0.000 0.962 192 A HN 0.801 nan 8.150 nan 0.000 0.512 193 R N 3.226 123.811 120.500 0.141 0.000 2.484 193 R HA 0.164 4.504 4.340 -0.000 0.000 0.293 193 R C -2.388 173.831 176.300 -0.134 0.000 1.023 193 R CA -1.007 54.937 56.100 -0.260 0.000 1.037 193 R CB -0.209 29.782 30.300 -0.516 0.000 0.951 193 R HN 0.489 nan 8.270 nan 0.000 0.418 194 P HA -0.013 nan 4.420 nan 0.000 0.269 194 P C -0.517 176.728 177.300 -0.091 0.000 1.215 194 P CA -0.234 62.837 63.100 -0.047 0.000 0.780 194 P CB 0.766 32.459 31.700 -0.012 0.000 0.898 195 V N -0.433 119.447 119.914 -0.056 0.000 3.158 195 V HA 0.397 4.517 4.120 -0.000 0.000 0.311 195 V C 1.009 177.078 176.094 -0.041 0.000 1.181 195 V CA -0.571 61.692 62.300 -0.062 0.000 1.054 195 V CB 1.678 33.467 31.823 -0.056 0.000 1.085 195 V HN 0.470 nan 8.190 nan 0.000 0.446 196 Q N 0.268 120.044 119.800 -0.041 0.000 2.269 196 Q HA 0.273 4.613 4.340 -0.000 0.000 0.201 196 Q C 0.801 176.790 176.000 -0.020 0.000 0.946 196 Q CA 1.034 56.819 55.803 -0.029 0.000 0.877 196 Q CB 0.363 29.082 28.738 -0.032 0.000 0.963 196 Q HN 0.744 nan 8.270 nan 0.000 0.472 197 R N -0.320 120.168 120.500 -0.021 0.000 3.737 197 R HA 0.128 4.468 4.340 -0.000 0.000 0.240 197 R C -2.244 174.048 176.300 -0.014 0.000 1.044 197 R CA -0.578 55.514 56.100 -0.013 0.000 1.164 197 R CB 0.647 30.941 30.300 -0.010 0.000 1.244 197 R HN -0.149 nan 8.270 nan 0.000 0.537 198 K N 4.960 125.355 120.400 -0.009 0.000 2.234 198 K HA 0.452 4.772 4.320 -0.000 0.000 0.277 198 K C -0.929 175.670 176.600 -0.002 0.000 1.038 198 K CA -0.397 55.885 56.287 -0.008 0.000 0.888 198 K CB 0.846 33.343 32.500 -0.006 0.000 1.091 198 K HN 0.487 nan 8.250 nan 0.000 0.467 199 L N 2.775 123.997 121.223 -0.002 0.000 2.375 199 L HA 0.386 4.726 4.340 -0.000 0.000 0.268 199 L C 0.001 176.878 176.870 0.012 0.000 1.058 199 L CA -1.199 53.644 54.840 0.004 0.000 0.803 199 L CB 1.127 43.187 42.059 0.002 0.000 1.212 199 L HN 0.646 nan 8.230 nan 0.000 0.451 200 D N 2.081 122.492 120.400 0.018 0.000 2.399 200 D HA 0.083 4.723 4.640 -0.000 0.000 0.241 200 D C -1.684 174.633 176.300 0.029 0.000 1.133 200 D CA -1.314 52.704 54.000 0.031 0.000 0.890 200 D CB 0.386 41.205 40.800 0.032 0.000 1.201 200 D HN 0.334 nan 8.370 nan 0.000 0.432 201 P HA -0.050 nan 4.420 nan 0.000 0.279 201 P C 0.122 177.429 177.300 0.012 0.000 1.451 201 P CA 0.173 63.306 63.100 0.055 0.000 0.783 201 P CB -0.685 31.170 31.700 0.258 0.000 1.490 202 N N -1.057 117.642 118.700 -0.002 0.000 2.466 202 N HA 0.024 4.764 4.740 -0.000 0.000 0.211 202 N C -0.478 174.978 175.510 -0.090 0.000 1.256 202 N CA -0.279 52.758 53.050 -0.022 0.000 0.840 202 N CB -0.156 38.344 38.487 0.021 0.000 1.079 202 N HN -0.133 nan 8.380 nan 0.000 0.466 203 T N 0.964 115.409 114.554 -0.182 0.000 2.909 203 T HA 0.395 4.745 4.350 -0.000 0.000 0.299 203 T C -2.885 171.547 174.700 -0.446 0.000 1.073 203 T CA -1.453 60.419 62.100 -0.380 0.000 0.999 203 T CB 2.392 71.113 68.868 -0.244 0.000 1.098 203 T HN -0.025 nan 8.240 nan 0.000 0.477 204 P HA 0.393 nan 4.420 nan 0.000 0.279 204 P C -1.160 176.001 177.300 -0.232 0.000 1.239 204 P CA -0.515 62.304 63.100 -0.469 0.000 0.789 204 P CB 0.346 31.619 31.700 -0.711 0.000 0.933 205 F N 3.464 123.300 119.950 -0.189 0.000 2.390 205 F HA 0.324 4.851 4.527 -0.000 0.000 0.361 205 F C -0.253 175.533 175.800 -0.023 0.000 1.124 205 F CA -0.437 57.511 58.000 -0.087 0.000 1.149 205 F CB 0.226 39.204 39.000 -0.038 0.000 1.160 205 F HN 0.070 nan 8.300 nan 0.000 0.501 206 L N 6.790 127.790 121.223 -0.372 0.000 2.261 206 L HA 0.207 4.546 4.340 -0.000 0.000 0.289 206 L C 1.030 177.816 176.870 -0.139 0.000 1.059 206 L CA -0.142 54.594 54.840 -0.174 0.000 0.816 206 L CB 1.169 43.158 42.059 -0.116 0.000 1.191 206 L HN 0.668 nan 8.230 nan 0.000 0.431 207 T N 1.243 115.815 114.554 0.029 0.000 3.040 207 T HA 0.180 4.529 4.350 -0.000 0.000 0.252 207 T C 1.353 176.113 174.700 0.099 0.000 1.064 207 T CA 1.000 63.163 62.100 0.105 0.000 1.110 207 T CB 0.220 69.150 68.868 0.102 0.000 0.921 207 T HN 0.985 nan 8.240 nan 0.000 0.480 208 G N 1.082 109.892 108.800 0.016 0.000 2.313 208 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 208 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 208 G C 0.159 174.890 174.900 -0.281 0.000 1.023 208 G CA -0.095 44.968 45.100 -0.062 0.000 0.626 208 G HN 0.469 nan 8.290 nan 0.000 0.503 209 M N 1.823 121.294 119.600 -0.214 0.000 2.105 209 M HA 0.438 4.917 4.480 -0.000 0.000 0.350 209 M C 1.614 177.747 176.300 -0.279 0.000 1.308 209 M CA -0.433 54.704 55.300 -0.271 0.000 1.108 209 M CB 1.052 33.512 32.600 -0.234 0.000 1.622 209 M HN 0.280 nan 8.290 nan 0.000 0.468 210 R N 2.814 123.093 120.500 -0.369 0.000 2.143 210 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 210 R C 2.005 178.186 176.300 -0.199 0.000 1.126 210 R CA 2.164 58.026 56.100 -0.396 0.000 0.927 210 R CB -0.799 28.998 30.300 -0.838 0.000 0.860 210 R HN 0.794 nan 8.270 nan 0.000 0.433 211 I N -0.075 120.412 120.570 -0.139 0.000 2.236 211 I HA -0.271 3.899 4.170 -0.000 0.000 0.249 211 I C 1.890 178.085 176.117 0.130 0.000 1.102 211 I CA 1.933 63.275 61.300 0.070 0.000 1.365 211 I CB -0.969 37.182 38.000 0.252 0.000 1.051 211 I HN 0.153 nan 8.210 nan 0.000 0.420 212 L N 0.368 121.565 121.223 -0.043 0.000 2.249 212 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 212 L C 2.286 179.202 176.870 0.076 0.000 1.090 212 L CA 0.637 55.420 54.840 -0.094 0.000 0.802 212 L CB -0.823 40.742 42.059 -0.823 0.000 0.947 212 L HN 0.077 nan 8.230 nan 0.000 0.453 213 D N 0.596 120.996 120.400 0.000 0.000 2.084 213 D HA -0.117 4.522 4.640 -0.000 0.000 0.196 213 D C 2.382 178.758 176.300 0.127 0.000 0.985 213 D CA 1.304 55.340 54.000 0.061 0.000 0.826 213 D CB 0.017 40.801 40.800 -0.027 0.000 0.978 213 D HN 0.116 nan 8.370 nan 0.000 0.456 214 V N 0.495 120.465 119.914 0.093 0.000 2.379 214 V HA -0.059 4.060 4.120 -0.000 0.000 0.243 214 V C 2.493 178.590 176.094 0.006 0.000 1.035 214 V CA 0.834 63.202 62.300 0.113 0.000 1.035 214 V CB -0.079 31.845 31.823 0.167 0.000 0.673 214 V HN 0.078 nan 8.190 nan 0.000 0.457 215 L N -1.418 119.733 121.223 -0.120 0.000 2.130 215 L HA 0.140 4.480 4.340 -0.000 0.000 0.200 215 L C 0.883 177.432 176.870 -0.536 0.000 1.075 215 L CA 1.256 55.790 54.840 -0.509 0.000 0.768 215 L CB 0.079 41.569 42.059 -0.950 0.000 0.933 215 L HN 0.324 nan 8.230 nan 0.000 0.451 216 F N -0.558 119.576 119.950 0.308 0.000 2.761 216 F HA 0.347 4.874 4.527 -0.000 0.000 0.367 216 F C -2.260 173.906 175.800 0.610 0.000 1.386 216 F CA -2.358 55.915 58.000 0.456 0.000 1.177 216 F CB -0.565 38.754 39.000 0.532 0.000 1.092 216 F HN -0.122 nan 8.300 nan 0.000 0.517 217 P HA 0.104 nan 4.420 nan 0.000 0.270 217 P C -0.268 177.334 177.300 0.503 0.000 1.223 217 P CA 0.171 63.574 63.100 0.506 0.000 0.785 217 P CB 1.901 33.841 31.700 0.401 0.000 0.923 218 V N -1.768 118.358 119.914 0.353 0.000 2.628 218 V HA 0.774 4.893 4.120 -0.000 0.000 0.306 218 V C 0.236 176.166 176.094 -0.273 0.000 1.045 218 V CA -1.484 60.753 62.300 -0.105 0.000 0.905 218 V CB 0.957 32.685 31.823 -0.159 0.000 0.997 218 V HN 0.714 nan 8.190 nan 0.000 0.436 219 A N 4.277 126.631 122.820 -0.777 0.000 2.406 219 A HA 0.561 4.881 4.320 -0.000 0.000 0.243 219 A C 0.321 177.741 177.584 -0.274 0.000 1.082 219 A CA -0.412 51.357 52.037 -0.447 0.000 0.786 219 A CB -0.004 18.743 19.000 -0.422 0.000 1.029 219 A HN 1.234 nan 8.150 nan 0.000 0.495 220 M N 2.307 121.848 119.600 -0.098 0.000 2.474 220 M HA 0.371 4.851 4.480 -0.000 0.000 0.352 220 M C 1.202 177.472 176.300 -0.051 0.000 1.690 220 M CA 1.386 56.712 55.300 0.044 0.000 1.112 220 M CB -1.105 31.498 32.600 0.005 0.000 2.062 220 M HN 1.813 nan 8.290 nan 0.000 0.461 221 G N 2.970 111.724 108.800 -0.076 0.000 2.157 221 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.239 221 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.239 221 G C 0.421 175.224 174.900 -0.161 0.000 0.982 221 G CA -0.008 45.028 45.100 -0.106 0.000 0.650 221 G HN 1.180 nan 8.290 nan 0.000 0.527 222 G N -0.491 108.128 108.800 -0.300 0.000 2.611 222 G HA2 0.671 4.631 3.960 -0.000 0.000 0.273 222 G HA3 0.671 4.631 3.960 -0.000 0.000 0.273 222 G C 0.492 175.286 174.900 -0.177 0.000 1.305 222 G CA 1.157 46.044 45.100 -0.355 0.000 1.010 222 G HN 1.468 nan 8.290 nan 0.000 0.509 223 T N -3.881 110.695 114.554 0.037 0.000 2.888 223 T HA 0.807 5.157 4.350 -0.000 0.000 0.288 223 T C -0.503 174.185 174.700 -0.019 0.000 1.063 223 T CA -0.204 61.896 62.100 0.000 0.000 1.010 223 T CB 2.051 70.971 68.868 0.088 0.000 1.214 223 T HN 2.000 nan 8.240 nan 0.000 0.533 224 A N -0.160 122.593 122.820 -0.111 0.000 2.573 224 A HA 0.784 5.104 4.320 -0.000 0.000 0.299 224 A C -0.770 176.695 177.584 -0.199 0.000 1.060 224 A CA -0.526 51.317 52.037 -0.323 0.000 0.736 224 A CB 0.594 19.116 19.000 -0.797 0.000 1.280 224 A HN 1.664 nan 8.150 nan 0.000 0.401 225 A N 1.364 124.103 122.820 -0.134 0.000 2.337 225 A HA 0.939 5.259 4.320 -0.000 0.000 0.331 225 A C -0.243 177.319 177.584 -0.037 0.000 1.137 225 A CA -0.197 51.891 52.037 0.084 0.000 0.807 225 A CB 0.594 19.761 19.000 0.278 0.000 1.250 225 A HN 2.110 nan 8.150 nan 0.000 0.468 226 I N -1.074 119.521 120.570 0.042 0.000 2.619 226 I HA 0.626 4.796 4.170 -0.000 0.000 0.292 226 I C -2.615 173.545 176.117 0.072 0.000 1.100 226 I CA -2.431 58.819 61.300 -0.083 0.000 1.043 226 I CB 3.029 41.062 38.000 0.055 0.000 1.239 226 I HN 0.304 nan 8.210 nan 0.000 0.420 227 P HA 0.129 nan 4.420 nan 0.000 0.256 227 P C 0.911 178.286 177.300 0.124 0.000 1.384 227 P CA 0.094 63.301 63.100 0.178 0.000 0.879 227 P CB -0.026 31.816 31.700 0.237 0.000 1.403 228 G N 3.543 112.406 108.800 0.104 0.000 2.422 228 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.309 228 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.309 228 G C -2.011 172.966 174.900 0.128 0.000 0.368 228 G CA -0.352 44.815 45.100 0.112 0.000 1.095 228 G HN 0.319 nan 8.290 nan 0.000 0.437 229 P HA 0.382 nan 4.420 nan 0.000 0.284 229 P C 0.135 177.536 177.300 0.169 0.000 1.258 229 P CA -0.987 62.198 63.100 0.141 0.000 0.824 229 P CB 1.216 32.979 31.700 0.105 0.000 1.038 230 F N 1.249 121.236 119.950 0.062 0.000 2.586 230 F HA 0.242 4.769 4.527 -0.000 0.000 0.344 230 F C 1.816 177.655 175.800 0.066 0.000 1.188 230 F CA 2.509 60.550 58.000 0.067 0.000 1.359 230 F CB 0.026 39.060 39.000 0.057 0.000 1.129 230 F HN 0.757 nan 8.300 nan 0.000 0.609 231 G N 1.601 110.164 108.800 -0.395 0.000 2.579 231 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.222 231 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.222 231 G C 0.444 175.306 174.900 -0.064 0.000 1.201 231 G CA 0.153 45.175 45.100 -0.130 0.000 0.710 231 G HN 0.924 nan 8.290 nan 0.000 0.516 232 S N 1.373 117.053 115.700 -0.033 0.000 2.592 232 S HA 0.507 4.977 4.470 -0.000 0.000 0.271 232 S C 1.116 175.751 174.600 0.058 0.000 1.326 232 S CA 0.811 59.021 58.200 0.016 0.000 1.024 232 S CB 1.016 64.220 63.200 0.005 0.000 0.921 232 S HN 1.618 nan 8.310 nan 0.000 0.527 233 G N 3.674 112.602 108.800 0.213 0.000 3.213 233 G HA2 0.113 4.073 3.960 -0.000 0.000 0.263 233 G HA3 0.113 4.073 3.960 -0.000 0.000 0.263 233 G C 0.853 175.823 174.900 0.115 0.000 0.829 233 G CA -0.375 44.834 45.100 0.183 0.000 1.983 233 G HN 0.814 nan 8.290 nan 0.000 0.616 234 K N 0.971 121.421 120.400 0.084 0.000 1.987 234 K HA -0.159 4.161 4.320 -0.000 0.000 0.216 234 K C 2.592 179.263 176.600 0.117 0.000 1.051 234 K CA 1.620 57.970 56.287 0.104 0.000 0.942 234 K CB -0.205 32.364 32.500 0.115 0.000 0.722 234 K HN 0.404 nan 8.250 nan 0.000 0.444 235 S N 0.555 116.323 115.700 0.112 0.000 2.489 235 S HA -0.255 4.215 4.470 -0.000 0.000 0.261 235 S C 2.037 176.687 174.600 0.084 0.000 1.059 235 S CA 2.158 60.426 58.200 0.112 0.000 1.372 235 S CB -0.889 62.363 63.200 0.087 0.000 1.253 235 S HN 0.239 nan 8.310 nan 0.000 0.432 236 V N 1.574 121.519 119.914 0.052 0.000 2.251 236 V HA -0.356 3.764 4.120 -0.000 0.000 0.259 236 V C 2.489 178.594 176.094 0.018 0.000 1.078 236 V CA 2.660 64.970 62.300 0.016 0.000 1.072 236 V CB -1.844 29.951 31.823 -0.046 0.000 0.681 236 V HN 0.612 nan 8.190 nan 0.000 0.454 237 T N -1.068 113.509 114.554 0.038 0.000 2.720 237 T HA -0.285 4.064 4.350 -0.000 0.000 0.268 237 T C 1.935 176.686 174.700 0.084 0.000 1.037 237 T CA 2.024 64.151 62.100 0.045 0.000 1.144 237 T CB -0.299 68.604 68.868 0.058 0.000 0.864 237 T HN 0.607 nan 8.240 nan 0.000 0.444 238 Q N 0.433 120.308 119.800 0.125 0.000 2.046 238 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 238 Q C 2.629 178.724 176.000 0.159 0.000 0.975 238 Q CA 1.300 57.216 55.803 0.187 0.000 0.836 238 Q CB -0.161 28.725 28.738 0.247 0.000 0.896 238 Q HN 0.597 nan 8.270 nan 0.000 0.428 239 Q N -0.154 119.692 119.800 0.077 0.000 2.050 239 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 239 Q C 2.292 178.289 176.000 -0.006 0.000 0.980 239 Q CA 1.293 57.063 55.803 -0.056 0.000 0.840 239 Q CB -0.148 28.488 28.738 -0.170 0.000 0.898 239 Q HN 0.183 nan 8.270 nan 0.000 0.424 240 S N 0.342 116.083 115.700 0.069 0.000 2.392 240 S HA -0.160 4.310 4.470 -0.000 0.000 0.232 240 S C 1.765 176.507 174.600 0.237 0.000 1.041 240 S CA 1.011 59.328 58.200 0.194 0.000 1.026 240 S CB -0.192 63.094 63.200 0.143 0.000 0.845 240 S HN 0.293 nan 8.310 nan 0.000 0.465 241 L N 0.377 121.709 121.223 0.182 0.000 2.156 241 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 241 L C 2.807 179.799 176.870 0.204 0.000 1.095 241 L CA 1.235 56.212 54.840 0.228 0.000 0.770 241 L CB -1.073 41.151 42.059 0.275 0.000 0.914 241 L HN 0.346 nan 8.230 nan 0.000 0.439 242 A N 0.312 123.219 122.820 0.145 0.000 1.930 242 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 242 A C 2.432 180.005 177.584 -0.019 0.000 1.175 242 A CA 1.456 53.555 52.037 0.102 0.000 0.627 242 A CB -0.270 18.789 19.000 0.097 0.000 0.815 242 A HN 0.257 nan 8.150 nan 0.000 0.443 243 K N -1.841 118.489 120.400 -0.117 0.000 2.007 243 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 243 K C 1.141 177.466 176.600 -0.459 0.000 1.047 243 K CA 1.577 57.622 56.287 -0.403 0.000 0.937 243 K CB -0.161 31.980 32.500 -0.599 0.000 0.718 243 K HN 0.709 nan 8.250 nan 0.000 0.438 244 W N 0.987 122.267 121.300 -0.033 0.000 3.132 244 W HA 0.139 4.798 4.660 -0.000 0.000 0.364 244 W C 0.307 176.805 176.519 -0.035 0.000 1.129 244 W CA -0.617 56.698 57.345 -0.049 0.000 1.815 244 W CB 0.365 29.849 29.460 0.041 0.000 1.099 244 W HN -0.088 nan 8.180 nan 0.000 0.605 245 S N 1.530 117.305 115.700 0.124 0.000 2.584 245 S HA 0.065 4.535 4.470 -0.000 0.000 0.273 245 S C 0.663 175.168 174.600 -0.158 0.000 1.311 245 S CA -0.751 57.429 58.200 -0.034 0.000 1.034 245 S CB 0.670 63.892 63.200 0.036 0.000 0.939 245 S HN 0.267 nan 8.310 nan 0.000 0.513 246 N N 1.284 119.780 118.700 -0.340 0.000 3.167 246 N HA 0.263 5.003 4.740 -0.000 0.000 0.318 246 N C -0.416 174.940 175.510 -0.257 0.000 1.268 246 N CA -0.120 52.770 53.050 -0.267 0.000 1.197 246 N CB -0.831 37.504 38.487 -0.253 0.000 1.464 246 N HN 0.761 nan 8.380 nan 0.000 0.555 247 A N -0.156 122.590 122.820 -0.124 0.000 2.371 247 A HA 0.405 4.724 4.320 -0.000 0.000 0.311 247 A C 0.319 177.923 177.584 0.033 0.000 1.068 247 A CA -0.840 51.209 52.037 0.020 0.000 0.744 247 A CB 1.247 20.355 19.000 0.180 0.000 1.239 247 A HN 0.241 nan 8.150 nan 0.000 0.435 248 D N 0.354 120.755 120.400 0.003 0.000 2.234 248 D HA 0.090 4.730 4.640 -0.000 0.000 0.205 248 D C 0.107 176.411 176.300 0.007 0.000 0.962 248 D CA 1.523 55.471 54.000 -0.087 0.000 0.855 248 D CB 0.496 40.942 40.800 -0.590 0.000 0.951 248 D HN 0.255 nan 8.370 nan 0.000 0.500 249 V N 0.635 120.556 119.914 0.012 0.000 3.012 249 V HA 0.284 4.403 4.120 -0.000 0.000 0.307 249 V C -0.602 175.517 176.094 0.042 0.000 1.166 249 V CA -0.845 61.445 62.300 -0.016 0.000 0.974 249 V CB 3.168 34.864 31.823 -0.211 0.000 1.040 249 V HN -0.283 nan 8.190 nan 0.000 0.428 250 V N 3.666 123.612 119.914 0.054 0.000 2.443 250 V HA 0.483 4.603 4.120 -0.000 0.000 0.293 250 V C -0.442 175.728 176.094 0.127 0.000 1.021 250 V CA -0.620 61.756 62.300 0.126 0.000 0.848 250 V CB 1.803 33.738 31.823 0.186 0.000 0.998 250 V HN 0.588 nan 8.190 nan 0.000 0.424 251 V N 5.248 125.242 119.914 0.133 0.000 2.394 251 V HA 0.356 4.475 4.120 -0.000 0.000 0.282 251 V C -0.752 175.443 176.094 0.169 0.000 1.031 251 V CA -0.603 61.788 62.300 0.152 0.000 0.881 251 V CB 1.368 33.277 31.823 0.143 0.000 0.982 251 V HN 0.827 nan 8.190 nan 0.000 0.451 252 Y N 5.365 125.699 120.300 0.056 0.000 2.575 252 Y HA 0.608 5.158 4.550 -0.000 0.000 0.326 252 Y C -0.183 175.716 175.900 -0.002 0.000 0.979 252 Y CA -0.711 57.403 58.100 0.022 0.000 1.286 252 Y CB 1.564 39.997 38.460 -0.045 0.000 1.093 252 Y HN 0.519 nan 8.280 nan 0.000 0.501 253 V N 5.953 125.737 119.914 -0.218 0.000 2.498 253 V HA 0.846 4.966 4.120 -0.000 0.000 0.279 253 V C -0.105 175.745 176.094 -0.408 0.000 1.048 253 V CA 0.377 62.572 62.300 -0.175 0.000 0.967 253 V CB 0.658 32.394 31.823 -0.145 0.000 0.988 253 V HN 0.924 nan 8.190 nan 0.000 0.473 254 G N 4.570 113.314 108.800 -0.093 0.000 2.744 254 G HA2 0.610 4.570 3.960 -0.000 0.000 0.286 254 G HA3 0.610 4.570 3.960 -0.000 0.000 0.286 254 G C -0.768 174.177 174.900 0.074 0.000 1.497 254 G CA 0.170 45.262 45.100 -0.013 0.000 1.070 254 G HN 1.393 nan 8.290 nan 0.000 0.539 255 S N 0.761 116.491 115.700 0.050 0.000 2.651 255 S HA 0.783 5.253 4.470 -0.000 0.000 0.279 255 S C 0.601 175.249 174.600 0.081 0.000 1.148 255 S CA 0.431 58.676 58.200 0.076 0.000 0.837 255 S CB 1.571 64.816 63.200 0.074 0.000 1.138 255 S HN 2.483 nan 8.310 nan 0.000 0.478 256 G N 1.173 110.014 108.800 0.069 0.000 2.298 256 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.287 256 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.287 256 G C -0.450 174.492 174.900 0.070 0.000 1.075 256 G CA 0.255 45.390 45.100 0.060 0.000 0.960 256 G HN 0.737 nan 8.290 nan 0.000 0.502 257 E N -0.448 119.796 120.200 0.074 0.000 2.249 257 E HA 0.470 4.820 4.350 -0.000 0.000 0.263 257 E C 0.808 177.449 176.600 0.068 0.000 0.950 257 E CA -1.082 55.368 56.400 0.082 0.000 0.827 257 E CB 0.943 30.706 29.700 0.104 0.000 1.220 257 E HN 0.469 nan 8.360 nan 0.000 0.411 258 R N 0.193 120.734 120.500 0.069 0.000 2.522 258 R HA 0.108 4.448 4.340 -0.000 0.000 0.284 258 R C 1.560 177.894 176.300 0.057 0.000 1.032 258 R CA 0.534 56.669 56.100 0.057 0.000 1.049 258 R CB 0.073 30.407 30.300 0.057 0.000 0.956 258 R HN 0.744 nan 8.270 nan 0.000 0.422 259 G N 2.718 111.546 108.800 0.047 0.000 2.507 259 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.221 259 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.221 259 G C 0.938 175.863 174.900 0.041 0.000 1.119 259 G CA 0.816 45.941 45.100 0.042 0.000 0.751 259 G HN 0.534 nan 8.290 nan 0.000 0.574 260 N N -0.151 118.576 118.700 0.046 0.000 2.405 260 N HA 0.049 4.789 4.740 -0.000 0.000 0.175 260 N C 1.911 177.460 175.510 0.064 0.000 1.051 260 N CA 0.711 53.789 53.050 0.048 0.000 0.899 260 N CB -0.026 38.489 38.487 0.046 0.000 1.000 260 N HN 0.429 nan 8.380 nan 0.000 0.451 261 E N 0.660 120.906 120.200 0.077 0.000 2.051 261 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 261 E C 1.784 178.432 176.600 0.080 0.000 0.991 261 E CA 1.102 57.560 56.400 0.097 0.000 0.799 261 E CB -0.005 29.760 29.700 0.108 0.000 0.748 261 E HN 0.075 nan 8.360 nan 0.000 0.449 262 M N -0.477 119.163 119.600 0.067 0.000 2.200 262 M HA -0.059 4.421 4.480 -0.000 0.000 0.265 262 M C 2.109 178.420 176.300 0.018 0.000 1.066 262 M CA 1.643 56.973 55.300 0.050 0.000 1.127 262 M CB -0.406 32.227 32.600 0.054 0.000 1.379 262 M HN 0.009 nan 8.290 nan 0.000 0.420 263 T N 0.290 114.860 114.554 0.026 0.000 2.867 263 T HA -0.106 4.243 4.350 -0.000 0.000 0.268 263 T C 0.958 175.670 174.700 0.020 0.000 1.057 263 T CA 1.521 63.630 62.100 0.015 0.000 1.136 263 T CB -0.405 68.473 68.868 0.016 0.000 0.874 263 T HN 0.384 nan 8.240 nan 0.000 0.466 264 D N 0.387 120.810 120.400 0.038 0.000 2.389 264 D HA -0.044 4.596 4.640 -0.000 0.000 0.221 264 D C 1.604 177.941 176.300 0.062 0.000 0.974 264 D CA 0.360 54.392 54.000 0.053 0.000 0.923 264 D CB 0.040 40.884 40.800 0.073 0.000 0.892 264 D HN 0.262 nan 8.370 nan 0.000 0.518 265 V N -0.530 119.391 119.914 0.013 0.000 3.212 265 V HA 0.037 4.157 4.120 -0.000 0.000 0.244 265 V C 1.824 177.883 176.094 -0.058 0.000 1.151 265 V CA 0.416 62.690 62.300 -0.044 0.000 1.119 265 V CB 0.196 31.832 31.823 -0.311 0.000 0.838 265 V HN 0.155 nan 8.190 nan 0.000 0.470 266 L N -0.899 120.292 121.223 -0.052 0.000 2.591 266 L HA 0.123 4.462 4.340 -0.000 0.000 0.228 266 L C 1.770 178.650 176.870 0.015 0.000 1.133 266 L CA 0.375 55.191 54.840 -0.041 0.000 0.880 266 L CB -0.166 41.868 42.059 -0.043 0.000 1.033 266 L HN 0.139 nan 8.230 nan 0.000 0.450 267 V N -1.153 118.784 119.914 0.039 0.000 3.151 267 V HA 0.020 4.140 4.120 -0.000 0.000 0.241 267 V C 2.069 178.195 176.094 0.054 0.000 1.173 267 V CA 0.625 62.946 62.300 0.036 0.000 1.154 267 V CB 0.699 32.535 31.823 0.021 0.000 0.898 267 V HN 0.268 nan 8.190 nan 0.000 0.473 268 E N 0.019 120.273 120.200 0.091 0.000 2.016 268 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 268 E C 2.076 178.724 176.600 0.081 0.000 0.985 268 E CA 1.466 57.912 56.400 0.076 0.000 0.802 268 E CB -0.181 29.569 29.700 0.084 0.000 0.762 268 E HN 0.463 nan 8.360 nan 0.000 0.448 269 F N 0.691 120.598 119.950 -0.072 0.000 2.063 269 F HA -0.168 4.358 4.527 -0.000 0.000 0.298 269 F C -0.711 175.044 175.800 -0.075 0.000 1.109 269 F CA 1.214 59.167 58.000 -0.078 0.000 1.212 269 F CB -1.718 37.229 39.000 -0.088 0.000 0.973 269 F HN 0.120 nan 8.300 nan 0.000 0.480 270 P HA -0.135 nan 4.420 nan 0.000 0.229 270 P C 0.860 178.140 177.300 -0.034 0.000 1.150 270 P CA 1.287 64.405 63.100 0.030 0.000 0.765 270 P CB -0.023 31.695 31.700 0.030 0.000 0.783 271 E N -1.430 118.742 120.200 -0.046 0.000 2.489 271 E HA 0.154 4.504 4.350 -0.000 0.000 0.204 271 E C 0.779 177.308 176.600 -0.119 0.000 1.006 271 E CA -0.049 56.304 56.400 -0.078 0.000 0.936 271 E CB -0.082 29.581 29.700 -0.060 0.000 1.002 271 E HN 0.323 nan 8.360 nan 0.000 0.488 272 L N 1.278 122.406 121.223 -0.159 0.000 2.452 272 L HA 0.184 4.524 4.340 -0.000 0.000 0.267 272 L C 0.445 177.188 176.870 -0.211 0.000 1.188 272 L CA 0.194 54.910 54.840 -0.206 0.000 0.821 272 L CB 0.376 42.251 42.059 -0.306 0.000 1.102 272 L HN -0.201 nan 8.230 nan 0.000 0.470 273 T N -0.130 114.290 114.554 -0.225 0.000 2.823 273 T HA 0.142 4.492 4.350 -0.000 0.000 0.279 273 T C -0.464 174.040 174.700 -0.327 0.000 0.998 273 T CA -0.546 61.406 62.100 -0.247 0.000 0.994 273 T CB 1.465 70.213 68.868 -0.201 0.000 0.960 273 T HN 0.425 nan 8.240 nan 0.000 0.448 274 D N 4.015 124.224 120.400 -0.318 0.000 2.344 274 D HA 0.138 4.778 4.640 -0.000 0.000 0.253 274 D C -1.092 174.978 176.300 -0.383 0.000 1.255 274 D CA -2.185 51.605 54.000 -0.351 0.000 0.894 274 D CB 1.315 41.943 40.800 -0.287 0.000 1.067 274 D HN 0.144 nan 8.370 nan 0.000 0.492 275 P HA -0.134 nan 4.420 nan 0.000 0.220 275 P C 0.771 177.874 177.300 -0.328 0.000 1.148 275 P CA 0.975 63.747 63.100 -0.547 0.000 0.803 275 P CB 0.470 31.482 31.700 -1.146 0.000 0.782 276 K N -0.330 119.886 120.400 -0.307 0.000 2.155 276 K HA -0.038 4.282 4.320 -0.000 0.000 0.203 276 K C 2.136 178.626 176.600 -0.184 0.000 1.052 276 K CA 1.944 58.101 56.287 -0.216 0.000 0.948 276 K CB -0.430 31.945 32.500 -0.208 0.000 0.728 276 K HN 0.312 nan 8.250 nan 0.000 0.448 277 T N -4.964 109.469 114.554 -0.202 0.000 2.987 277 T HA 0.263 4.612 4.350 -0.000 0.000 0.248 277 T C 1.549 176.160 174.700 -0.148 0.000 0.997 277 T CA 0.492 62.490 62.100 -0.169 0.000 1.013 277 T CB 0.848 69.605 68.868 -0.184 0.000 1.077 277 T HN 0.255 nan 8.240 nan 0.000 0.483 278 G N 0.648 109.345 108.800 -0.172 0.000 2.194 278 G HA2 0.052 4.012 3.960 -0.000 0.000 0.236 278 G HA3 0.052 4.012 3.960 -0.000 0.000 0.236 278 G C 0.441 175.243 174.900 -0.164 0.000 0.987 278 G CA -0.046 44.964 45.100 -0.149 0.000 0.635 278 G HN 1.079 nan 8.290 nan 0.000 0.520 279 G N -0.266 108.415 108.800 -0.199 0.000 2.820 279 G HA2 0.764 4.724 3.960 -0.000 0.000 0.291 279 G HA3 0.764 4.724 3.960 -0.000 0.000 0.291 279 G C -2.753 171.944 174.900 -0.337 0.000 1.323 279 G CA -1.174 43.776 45.100 -0.251 0.000 1.055 279 G HN 0.146 nan 8.290 nan 0.000 0.520 280 P HA 0.083 nan 4.420 nan 0.000 0.268 280 P C 0.652 177.723 177.300 -0.381 0.000 1.208 280 P CA -0.407 62.421 63.100 -0.455 0.000 0.777 280 P CB 0.940 32.261 31.700 -0.632 0.000 0.875 281 L N 2.067 123.139 121.223 -0.252 0.000 2.418 281 L HA 0.020 4.360 4.340 -0.000 0.000 0.218 281 L C 1.853 178.687 176.870 -0.060 0.000 1.125 281 L CA 1.445 56.183 54.840 -0.171 0.000 0.835 281 L CB -0.775 41.176 42.059 -0.181 0.000 0.953 281 L HN 0.290 nan 8.230 nan 0.000 0.454 282 M N -0.840 118.735 119.600 -0.042 0.000 2.267 282 M HA -0.229 4.250 4.480 -0.000 0.000 0.263 282 M C 1.757 178.097 176.300 0.066 0.000 1.063 282 M CA 1.542 56.882 55.300 0.066 0.000 1.090 282 M CB -1.182 31.466 32.600 0.080 0.000 1.392 282 M HN 0.437 nan 8.290 nan 0.000 0.422 283 H N -0.051 118.837 119.070 -0.303 0.000 2.562 283 H HA 0.016 4.572 4.556 -0.000 0.000 0.272 283 H C 0.471 175.746 175.328 -0.089 0.000 1.019 283 H CA 0.212 55.936 56.048 -0.541 0.000 1.160 283 H CB 0.069 29.329 29.762 -0.836 0.000 1.334 283 H HN 0.416 nan 8.280 nan 0.000 0.611 284 R N -0.438 120.128 120.500 0.111 0.000 2.522 284 R HA 0.241 4.581 4.340 -0.000 0.000 0.373 284 R C -1.143 175.215 176.300 0.096 0.000 1.062 284 R CA -0.286 55.912 56.100 0.164 0.000 1.167 284 R CB 0.161 30.586 30.300 0.208 0.000 1.378 284 R HN -0.134 nan 8.270 nan 0.000 0.662 285 T N 0.513 115.131 114.554 0.107 0.000 2.993 285 T HA 0.382 4.732 4.350 -0.000 0.000 0.312 285 T C -0.783 174.002 174.700 0.143 0.000 1.115 285 T CA -0.559 61.613 62.100 0.119 0.000 1.027 285 T CB 2.666 71.642 68.868 0.181 0.000 1.116 285 T HN 0.032 nan 8.240 nan 0.000 0.464 286 V N 3.911 123.919 119.914 0.156 0.000 2.513 286 V HA 0.584 4.704 4.120 -0.000 0.000 0.299 286 V C -0.517 175.693 176.094 0.193 0.000 1.035 286 V CA -0.906 61.535 62.300 0.235 0.000 0.889 286 V CB 1.389 33.406 31.823 0.323 0.000 0.988 286 V HN 0.686 nan 8.190 nan 0.000 0.440 287 L N 5.370 126.689 121.223 0.161 0.000 2.305 287 L HA 0.626 4.966 4.340 -0.000 0.000 0.284 287 L C -0.849 176.130 176.870 0.180 0.000 1.013 287 L CA -0.540 54.372 54.840 0.121 0.000 0.819 287 L CB 1.519 43.538 42.059 -0.068 0.000 1.227 287 L HN 0.414 nan 8.230 nan 0.000 0.417 288 I N 2.964 123.652 120.570 0.196 0.000 2.342 288 I HA 0.598 4.767 4.170 -0.000 0.000 0.291 288 I C 0.364 176.570 176.117 0.150 0.000 1.010 288 I CA 0.201 61.608 61.300 0.179 0.000 1.308 288 I CB 1.596 39.680 38.000 0.140 0.000 1.400 288 I HN 0.682 nan 8.210 nan 0.000 0.488 289 A N 5.538 128.430 122.820 0.120 0.000 2.371 289 A HA 0.864 5.183 4.320 -0.000 0.000 0.311 289 A C -0.802 176.832 177.584 0.083 0.000 1.068 289 A CA -0.568 51.528 52.037 0.099 0.000 0.744 289 A CB 1.001 20.033 19.000 0.054 0.000 1.239 289 A HN 0.780 nan 8.150 nan 0.000 0.435 290 N N -0.410 118.339 118.700 0.081 0.000 2.405 290 N HA 0.657 5.397 4.740 -0.000 0.000 0.274 290 N C -1.015 174.533 175.510 0.064 0.000 1.170 290 N CA -0.524 52.566 53.050 0.068 0.000 0.848 290 N CB 2.499 41.026 38.487 0.065 0.000 1.629 290 N HN 0.756 nan 8.380 nan 0.000 0.481 291 T N -1.734 112.852 114.554 0.053 0.000 2.924 291 T HA 0.383 4.732 4.350 -0.000 0.000 0.291 291 T C 0.903 175.628 174.700 0.042 0.000 1.045 291 T CA -0.667 61.463 62.100 0.050 0.000 1.015 291 T CB 1.581 70.477 68.868 0.047 0.000 1.103 291 T HN 0.323 nan 8.240 nan 0.000 0.496 292 S N 2.347 118.071 115.700 0.040 0.000 2.425 292 S HA -0.290 4.180 4.470 -0.000 0.000 0.256 292 S C 1.812 176.427 174.600 0.025 0.000 1.101 292 S CA 2.390 60.609 58.200 0.031 0.000 1.188 292 S CB -0.754 62.464 63.200 0.030 0.000 1.085 292 S HN 0.994 nan 8.310 nan 0.000 0.439 293 N N 0.537 119.255 118.700 0.031 0.000 2.280 293 N HA 0.135 4.874 4.740 -0.000 0.000 0.192 293 N C 0.107 175.636 175.510 0.033 0.000 1.109 293 N CA 0.048 53.116 53.050 0.029 0.000 0.855 293 N CB -0.398 38.109 38.487 0.035 0.000 0.974 293 N HN 0.412 nan 8.380 nan 0.000 0.482 294 M N 0.999 120.620 119.600 0.035 0.000 2.242 294 M HA 0.277 4.757 4.480 -0.000 0.000 0.344 294 M C -2.118 174.195 176.300 0.023 0.000 1.140 294 M CA -1.661 53.660 55.300 0.036 0.000 1.160 294 M CB 0.473 33.098 32.600 0.042 0.000 1.491 294 M HN -0.216 nan 8.290 nan 0.000 0.459 295 P HA -0.090 nan 4.420 nan 0.000 0.264 295 P C 0.648 177.933 177.300 -0.024 0.000 1.173 295 P CA -0.061 63.044 63.100 0.009 0.000 0.761 295 P CB 0.297 32.011 31.700 0.024 0.000 0.794 296 V N 3.704 123.600 119.914 -0.030 0.000 2.220 296 V HA -0.364 3.756 4.120 -0.000 0.000 0.250 296 V C 2.423 178.456 176.094 -0.102 0.000 1.056 296 V CA 2.773 65.041 62.300 -0.053 0.000 1.016 296 V CB -1.920 29.879 31.823 -0.039 0.000 0.639 296 V HN 0.713 nan 8.190 nan 0.000 0.446 297 A N 0.146 122.863 122.820 -0.172 0.000 1.940 297 A HA -0.291 4.028 4.320 -0.000 0.000 0.221 297 A C 2.404 179.804 177.584 -0.307 0.000 1.190 297 A CA 3.053 54.870 52.037 -0.367 0.000 0.647 297 A CB -1.008 17.470 19.000 -0.869 0.000 0.821 297 A HN 0.733 nan 8.150 nan 0.000 0.457 298 A N -0.780 121.916 122.820 -0.206 0.000 1.898 298 A HA -0.119 4.200 4.320 -0.000 0.000 0.216 298 A C 2.165 179.750 177.584 0.001 0.000 1.181 298 A CA 1.508 53.496 52.037 -0.081 0.000 0.620 298 A CB -0.443 18.543 19.000 -0.023 0.000 0.819 298 A HN 0.536 nan 8.150 nan 0.000 0.442 299 R N -0.734 119.766 120.500 -0.000 0.000 2.200 299 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 299 R C 2.104 178.462 176.300 0.098 0.000 1.127 299 R CA 1.411 57.534 56.100 0.039 0.000 0.989 299 R CB -0.029 30.274 30.300 0.004 0.000 0.869 299 R HN 0.628 nan 8.270 nan 0.000 0.459 300 E N -0.284 119.957 120.200 0.068 0.000 2.162 300 E HA 0.043 4.393 4.350 -0.000 0.000 0.193 300 E C 1.834 178.733 176.600 0.498 0.000 0.953 300 E CA 0.661 57.176 56.400 0.192 0.000 0.849 300 E CB 0.149 29.836 29.700 -0.022 0.000 0.810 300 E HN 0.246 nan 8.360 nan 0.000 0.470 301 A N 1.698 124.668 122.820 0.249 0.000 1.892 301 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 301 A C 2.294 180.038 177.584 0.268 0.000 1.188 301 A CA 2.700 54.906 52.037 0.282 0.000 0.631 301 A CB -1.076 17.978 19.000 0.091 0.000 0.822 301 A HN 0.460 nan 8.150 nan 0.000 0.447 302 S N 1.336 117.130 115.700 0.157 0.000 2.411 302 S HA -0.397 4.072 4.470 -0.000 0.000 0.293 302 S C 1.918 176.476 174.600 -0.070 0.000 1.146 302 S CA 2.760 60.996 58.200 0.060 0.000 1.337 302 S CB -1.674 61.562 63.200 0.061 0.000 1.258 302 S HN 1.362 nan 8.310 nan 0.000 0.453 303 I N -1.237 119.152 120.570 -0.300 0.000 2.567 303 I HA -0.082 4.088 4.170 -0.000 0.000 0.257 303 I C 2.152 177.952 176.117 -0.528 0.000 1.184 303 I CA 1.435 62.326 61.300 -0.682 0.000 1.451 303 I CB -0.578 36.465 38.000 -1.596 0.000 1.089 303 I HN 0.375 nan 8.210 nan 0.000 0.441 304 Y N 1.011 121.246 120.300 -0.109 0.000 2.177 304 Y HA -0.005 4.545 4.550 -0.000 0.000 0.291 304 Y C 2.749 178.676 175.900 0.045 0.000 1.117 304 Y CA 1.289 59.398 58.100 0.015 0.000 1.114 304 Y CB -1.064 37.419 38.460 0.039 0.000 1.017 304 Y HN -0.126 nan 8.280 nan 0.000 0.505 305 V N 0.299 120.321 119.914 0.181 0.000 2.313 305 V HA -0.368 3.752 4.120 -0.000 0.000 0.253 305 V C 2.421 178.560 176.094 0.075 0.000 1.070 305 V CA 2.299 64.662 62.300 0.103 0.000 1.057 305 V CB -1.367 30.499 31.823 0.072 0.000 0.653 305 V HN 0.665 nan 8.190 nan 0.000 0.450 306 G N -1.645 107.184 108.800 0.048 0.000 2.421 306 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 306 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 306 G C 1.696 176.642 174.900 0.077 0.000 1.143 306 G CA 0.969 46.099 45.100 0.050 0.000 0.784 306 G HN 0.404 nan 8.290 nan 0.000 0.541 307 V N 0.853 120.818 119.914 0.085 0.000 2.488 307 V HA -0.082 4.037 4.120 -0.000 0.000 0.246 307 V C 3.005 179.155 176.094 0.092 0.000 1.046 307 V CA 2.631 64.986 62.300 0.092 0.000 1.053 307 V CB -0.486 31.406 31.823 0.115 0.000 0.679 307 V HN 0.405 nan 8.190 nan 0.000 0.458 308 T N 0.791 115.420 114.554 0.125 0.000 2.674 308 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 308 T C 1.794 176.546 174.700 0.086 0.000 1.039 308 T CA 2.158 64.332 62.100 0.123 0.000 1.150 308 T CB -0.345 68.635 68.868 0.187 0.000 0.864 308 T HN 0.430 nan 8.240 nan 0.000 0.427 309 I N 1.609 122.233 120.570 0.089 0.000 2.151 309 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 309 I C 2.985 179.246 176.117 0.240 0.000 1.080 309 I CA 1.368 62.744 61.300 0.128 0.000 1.339 309 I CB -0.574 37.518 38.000 0.154 0.000 1.039 309 I HN 0.225 nan 8.210 nan 0.000 0.409 310 A N 0.292 123.230 122.820 0.196 0.000 1.908 310 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 310 A C 2.208 179.870 177.584 0.129 0.000 1.181 310 A CA 1.901 54.052 52.037 0.191 0.000 0.627 310 A CB -0.630 18.431 19.000 0.102 0.000 0.818 310 A HN 0.484 nan 8.150 nan 0.000 0.445 311 E N -1.773 118.464 120.200 0.061 0.000 2.110 311 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 311 E C 1.860 178.427 176.600 -0.055 0.000 0.988 311 E CA 1.376 57.767 56.400 -0.015 0.000 0.804 311 E CB -0.323 29.352 29.700 -0.041 0.000 0.745 311 E HN 0.793 nan 8.360 nan 0.000 0.458 312 Y N 0.730 120.919 120.300 -0.186 0.000 2.070 312 Y HA -0.288 4.262 4.550 -0.000 0.000 0.280 312 Y C 1.872 177.546 175.900 -0.377 0.000 1.148 312 Y CA 1.668 59.579 58.100 -0.314 0.000 1.125 312 Y CB -0.520 37.699 38.460 -0.402 0.000 0.975 312 Y HN -0.058 nan 8.280 nan 0.000 0.492 313 F N 0.584 120.364 119.950 -0.284 0.000 2.202 313 F HA -0.176 4.351 4.527 -0.000 0.000 0.301 313 F C 2.766 178.291 175.800 -0.458 0.000 1.082 313 F CA 1.890 59.617 58.000 -0.454 0.000 1.313 313 F CB -0.791 38.126 39.000 -0.138 0.000 1.024 313 F HN 0.039 nan 8.300 nan 0.000 0.495 314 R N 0.720 121.163 120.500 -0.095 0.000 2.083 314 R HA -0.196 4.143 4.340 -0.000 0.000 0.237 314 R C 1.687 177.831 176.300 -0.260 0.000 1.137 314 R CA 2.194 58.217 56.100 -0.128 0.000 0.951 314 R CB -0.574 29.681 30.300 -0.075 0.000 0.851 314 R HN 0.135 nan 8.270 nan 0.000 0.434 315 D N 0.641 120.850 120.400 -0.320 0.000 2.265 315 D HA -0.152 4.487 4.640 -0.000 0.000 0.208 315 D C 1.513 177.564 176.300 -0.415 0.000 0.977 315 D CA 1.121 54.921 54.000 -0.332 0.000 0.871 315 D CB -0.085 40.524 40.800 -0.318 0.000 0.925 315 D HN 0.504 nan 8.370 nan 0.000 0.485 316 Q N -0.759 118.656 119.800 -0.641 0.000 2.444 316 Q HA 0.231 4.571 4.340 -0.000 0.000 0.206 316 Q C 0.892 176.518 176.000 -0.623 0.000 0.948 316 Q CA 0.479 55.850 55.803 -0.721 0.000 0.946 316 Q CB 0.694 28.765 28.738 -1.111 0.000 1.027 316 Q HN 0.238 nan 8.270 nan 0.000 0.513 317 G N 0.774 109.309 108.800 -0.443 0.000 2.164 317 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.212 317 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.212 317 G C -0.253 174.716 174.900 0.115 0.000 1.031 317 G CA -0.491 44.524 45.100 -0.142 0.000 0.730 317 G HN 0.301 nan 8.290 nan 0.000 0.501 318 F N 0.019 119.882 119.950 -0.144 0.000 2.541 318 F HA 0.716 5.243 4.527 -0.000 0.000 0.331 318 F C 0.988 176.736 175.800 -0.087 0.000 1.057 318 F CA -0.976 56.928 58.000 -0.159 0.000 0.975 318 F CB 1.883 40.715 39.000 -0.280 0.000 1.246 318 F HN 0.136 nan 8.300 nan 0.000 0.484 319 S N 1.042 116.835 115.700 0.155 0.000 2.545 319 S HA 0.529 4.999 4.470 -0.000 0.000 0.275 319 S C -0.948 173.740 174.600 0.146 0.000 1.299 319 S CA -0.467 57.811 58.200 0.129 0.000 1.048 319 S CB 0.754 64.018 63.200 0.107 0.000 0.938 319 S HN 0.372 nan 8.310 nan 0.000 0.496 320 V N 3.679 123.683 119.914 0.150 0.000 2.588 320 V HA 0.754 4.874 4.120 -0.000 0.000 0.304 320 V C 0.056 176.239 176.094 0.150 0.000 1.042 320 V CA -0.796 61.585 62.300 0.134 0.000 0.877 320 V CB 1.432 33.321 31.823 0.110 0.000 0.996 320 V HN 1.066 nan 8.190 nan 0.000 0.425 321 A N 5.117 128.039 122.820 0.170 0.000 2.258 321 A HA 0.839 5.158 4.320 -0.000 0.000 0.316 321 A C -0.995 176.654 177.584 0.109 0.000 1.279 321 A CA -0.391 51.743 52.037 0.162 0.000 0.876 321 A CB 0.819 19.997 19.000 0.297 0.000 1.170 321 A HN 0.911 nan 8.150 nan 0.000 0.520 322 L N 4.682 125.929 121.223 0.041 0.000 2.325 322 L HA 0.748 5.088 4.340 -0.000 0.000 0.281 322 L C -0.310 176.567 176.870 0.012 0.000 1.004 322 L CA -0.421 54.439 54.840 0.034 0.000 0.823 322 L CB 1.231 43.293 42.059 0.006 0.000 1.236 322 L HN 0.726 nan 8.230 nan 0.000 0.415 323 M N 4.501 124.112 119.600 0.017 0.000 2.125 323 M HA 0.801 5.280 4.480 -0.000 0.000 0.321 323 M C -0.679 175.447 176.300 -0.290 0.000 0.983 323 M CA -0.705 54.573 55.300 -0.037 0.000 0.934 323 M CB 1.460 34.124 32.600 0.107 0.000 1.542 323 M HN 0.627 nan 8.290 nan 0.000 0.424 324 A N 2.580 125.251 122.820 -0.248 0.000 2.301 324 A HA 0.699 5.019 4.320 -0.000 0.000 0.312 324 A C -1.039 176.392 177.584 -0.256 0.000 1.182 324 A CA -0.291 51.524 52.037 -0.370 0.000 0.826 324 A CB 0.698 19.471 19.000 -0.379 0.000 1.134 324 A HN 0.832 nan 8.150 nan 0.000 0.501 325 D N 0.876 121.107 120.400 -0.280 0.000 2.591 325 D HA 0.364 5.003 4.640 -0.000 0.000 0.222 325 D C -1.260 175.056 176.300 0.027 0.000 1.360 325 D CA 0.098 54.071 54.000 -0.045 0.000 0.967 325 D CB 1.555 42.402 40.800 0.080 0.000 1.456 325 D HN 0.373 nan 8.370 nan 0.000 0.588 326 S N 2.229 117.966 115.700 0.062 0.000 2.501 326 S HA 0.433 4.903 4.470 -0.000 0.000 0.301 326 S C 1.006 175.654 174.600 0.080 0.000 1.096 326 S CA -0.354 57.892 58.200 0.077 0.000 1.063 326 S CB 1.709 64.977 63.200 0.113 0.000 1.042 326 S HN 0.387 nan 8.310 nan 0.000 0.494 327 T N 2.802 117.404 114.554 0.080 0.000 2.985 327 T HA -0.000 4.350 4.350 -0.000 0.000 0.266 327 T C 1.759 176.586 174.700 0.212 0.000 1.076 327 T CA 1.444 63.601 62.100 0.096 0.000 1.135 327 T CB -0.170 68.751 68.868 0.088 0.000 0.890 327 T HN 0.573 nan 8.240 nan 0.000 0.480 328 S N 0.736 116.539 115.700 0.171 0.000 2.406 328 S HA 0.050 4.520 4.470 -0.000 0.000 0.228 328 S C 2.140 176.848 174.600 0.181 0.000 1.020 328 S CA 0.602 58.905 58.200 0.172 0.000 0.965 328 S CB -0.052 63.235 63.200 0.145 0.000 0.798 328 S HN 0.432 nan 8.310 nan 0.000 0.488 329 R N -0.465 120.130 120.500 0.160 0.000 2.075 329 R HA -0.060 4.280 4.340 -0.000 0.000 0.226 329 R C 2.055 178.424 176.300 0.116 0.000 1.114 329 R CA 1.043 57.217 56.100 0.123 0.000 0.972 329 R CB -0.423 29.939 30.300 0.105 0.000 0.869 329 R HN 0.511 nan 8.270 nan 0.000 0.437 330 W N 1.981 123.272 121.300 -0.014 0.000 2.302 330 W HA -0.303 4.356 4.660 -0.000 0.000 0.320 330 W C 2.236 178.769 176.519 0.023 0.000 1.241 330 W CA 2.433 59.754 57.345 -0.041 0.000 1.264 330 W CB -0.476 28.896 29.460 -0.147 0.000 1.154 330 W HN 0.113 nan 8.180 nan 0.000 0.483 331 A N 0.039 122.901 122.820 0.069 0.000 1.940 331 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 331 A C 2.016 179.601 177.584 0.002 0.000 1.176 331 A CA 2.048 54.031 52.037 -0.090 0.000 0.631 331 A CB -1.015 18.052 19.000 0.112 0.000 0.814 331 A HN 0.400 nan 8.150 nan 0.000 0.446 332 E N 0.238 120.483 120.200 0.074 0.000 2.058 332 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 332 E C 2.335 178.879 176.600 -0.094 0.000 0.997 332 E CA 1.424 57.843 56.400 0.032 0.000 0.801 332 E CB -0.555 29.161 29.700 0.028 0.000 0.746 332 E HN 0.484 nan 8.360 nan 0.000 0.450 333 A N 1.178 123.894 122.820 -0.174 0.000 1.892 333 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 333 A C 2.309 179.722 177.584 -0.284 0.000 1.188 333 A CA 1.756 53.659 52.037 -0.223 0.000 0.631 333 A CB -0.851 18.000 19.000 -0.248 0.000 0.822 333 A HN 0.339 nan 8.150 nan 0.000 0.447 334 L N -0.583 120.343 121.223 -0.495 0.000 2.265 334 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 334 L C 2.349 179.133 176.870 -0.142 0.000 1.117 334 L CA 1.824 56.429 54.840 -0.393 0.000 0.782 334 L CB -0.463 41.198 42.059 -0.663 0.000 0.914 334 L HN 0.400 nan 8.230 nan 0.000 0.441 335 R N -0.929 119.514 120.500 -0.094 0.000 2.075 335 R HA -0.099 4.241 4.340 -0.000 0.000 0.226 335 R C 2.184 178.443 176.300 -0.068 0.000 1.114 335 R CA 1.063 57.132 56.100 -0.051 0.000 0.972 335 R CB -0.099 30.136 30.300 -0.107 0.000 0.869 335 R HN 0.402 nan 8.270 nan 0.000 0.437 336 E N 0.578 120.730 120.200 -0.079 0.000 2.051 336 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 336 E C 2.014 178.592 176.600 -0.036 0.000 0.991 336 E CA 1.255 57.619 56.400 -0.059 0.000 0.799 336 E CB -0.073 29.591 29.700 -0.060 0.000 0.748 336 E HN 0.188 nan 8.360 nan 0.000 0.449 337 I N 0.677 121.223 120.570 -0.039 0.000 2.099 337 I HA -0.304 3.866 4.170 -0.000 0.000 0.239 337 I C 2.689 178.818 176.117 0.019 0.000 1.066 337 I CA 1.293 62.591 61.300 -0.004 0.000 1.324 337 I CB -0.846 37.151 38.000 -0.005 0.000 1.037 337 I HN 0.004 nan 8.210 nan 0.000 0.401 338 S N -0.395 115.316 115.700 0.019 0.000 2.393 338 S HA -0.341 4.129 4.470 -0.000 0.000 0.234 338 S C 2.349 176.949 174.600 -0.001 0.000 1.064 338 S CA 2.347 60.559 58.200 0.021 0.000 1.088 338 S CB -0.595 62.603 63.200 -0.004 0.000 0.939 338 S HN 0.548 nan 8.310 nan 0.000 0.448 339 S N 0.604 116.295 115.700 -0.016 0.000 2.355 339 S HA -0.056 4.414 4.470 -0.000 0.000 0.222 339 S C 2.060 176.659 174.600 -0.001 0.000 1.031 339 S CA 0.985 59.174 58.200 -0.019 0.000 0.993 339 S CB -0.381 62.799 63.200 -0.034 0.000 0.859 339 S HN 0.582 nan 8.310 nan 0.000 0.453 340 R N 0.720 121.225 120.500 0.007 0.000 2.083 340 R HA -0.010 4.330 4.340 -0.000 0.000 0.237 340 R C 1.965 178.288 176.300 0.040 0.000 1.137 340 R CA 1.374 57.487 56.100 0.023 0.000 0.951 340 R CB -0.930 29.387 30.300 0.029 0.000 0.851 340 R HN 0.452 nan 8.270 nan 0.000 0.434 341 L N 1.693 122.945 121.223 0.048 0.000 2.834 341 L HA -0.048 4.292 4.340 -0.000 0.000 0.252 341 L C 0.647 177.540 176.870 0.037 0.000 1.152 341 L CA 0.460 55.335 54.840 0.058 0.000 0.898 341 L CB -0.976 41.128 42.059 0.075 0.000 1.078 341 L HN 0.360 nan 8.230 nan 0.000 0.439 342 E N 0.656 120.872 120.200 0.026 0.000 2.735 342 E HA -0.236 4.114 4.350 -0.000 0.000 0.261 342 E C -0.089 176.511 176.600 0.001 0.000 1.137 342 E CA 0.492 56.901 56.400 0.014 0.000 0.754 342 E CB -0.498 29.217 29.700 0.025 0.000 1.352 342 E HN 0.633 nan 8.360 nan 0.000 0.430 343 E N 0.941 121.138 120.200 -0.005 0.000 2.360 343 E HA 0.066 4.415 4.350 -0.000 0.000 0.269 343 E C 0.830 177.409 176.600 -0.036 0.000 1.022 343 E CA -0.140 56.246 56.400 -0.024 0.000 0.887 343 E CB 0.438 30.114 29.700 -0.040 0.000 0.990 343 E HN 0.211 nan 8.360 nan 0.000 0.426 344 M N 1.529 121.105 119.600 -0.040 0.000 2.303 344 M HA 0.230 4.710 4.480 -0.000 0.000 0.350 344 M C -2.492 173.778 176.300 -0.051 0.000 1.518 344 M CA -1.709 53.567 55.300 -0.039 0.000 1.070 344 M CB -1.011 31.569 32.600 -0.034 0.000 1.910 344 M HN 0.017 nan 8.290 nan 0.000 0.458 345 P HA 0.301 nan 4.420 nan 0.000 0.263 345 P C -0.400 176.873 177.300 -0.045 0.000 1.195 345 P CA 0.056 63.125 63.100 -0.052 0.000 0.762 345 P CB 0.314 31.984 31.700 -0.051 0.000 0.799 346 A N 3.378 126.172 122.820 -0.044 0.000 2.267 346 A HA 0.343 4.663 4.320 -0.000 0.000 0.271 346 A C 0.013 177.591 177.584 -0.010 0.000 1.131 346 A CA -0.573 51.447 52.037 -0.030 0.000 0.818 346 A CB -0.068 18.914 19.000 -0.030 0.000 1.118 346 A HN 0.634 nan 8.150 nan 0.000 0.501 347 E N -0.269 119.932 120.200 0.002 0.000 2.299 347 E HA 0.405 4.754 4.350 -0.000 0.000 0.272 347 E C -0.827 175.796 176.600 0.037 0.000 1.043 347 E CA 0.043 56.450 56.400 0.012 0.000 0.895 347 E CB 0.323 30.029 29.700 0.010 0.000 1.011 347 E HN 0.462 nan 8.360 nan 0.000 0.432 348 E N 2.521 122.739 120.200 0.031 0.000 2.271 348 E HA -0.104 4.245 4.350 -0.000 0.000 0.215 348 E C 0.476 177.117 176.600 0.069 0.000 1.256 348 E CA 0.878 57.313 56.400 0.057 0.000 0.678 348 E CB -1.697 28.058 29.700 0.092 0.000 1.187 348 E HN 1.093 nan 8.360 nan 0.000 0.392 349 G N 0.915 109.689 108.800 -0.043 0.000 2.451 349 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.296 349 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.296 349 G C -0.295 174.345 174.900 -0.434 0.000 0.922 349 G CA 1.261 46.238 45.100 -0.205 0.000 1.074 349 G HN 0.410 nan 8.290 nan 0.000 0.509 350 Y N -1.207 119.076 120.300 -0.028 0.000 2.521 350 Y HA 0.394 4.944 4.550 -0.000 0.000 0.328 350 Y C -2.145 173.726 175.900 -0.049 0.000 1.151 350 Y CA -1.904 56.177 58.100 -0.032 0.000 1.054 350 Y CB 2.058 40.513 38.460 -0.009 0.000 1.338 350 Y HN 0.046 nan 8.280 nan 0.000 0.453 351 P HA 0.009 nan 4.420 nan 0.000 0.268 351 P C -2.284 175.008 177.300 -0.012 0.000 1.208 351 P CA -0.938 62.143 63.100 -0.032 0.000 0.777 351 P CB 0.693 32.355 31.700 -0.063 0.000 0.875 352 P HA 0.035 nan 4.420 nan 0.000 0.255 352 P C 0.619 177.948 177.300 0.048 0.000 1.301 352 P CA 0.664 63.738 63.100 -0.043 0.000 0.817 352 P CB -0.170 31.481 31.700 -0.081 0.000 1.259 353 Y N -0.884 119.459 120.300 0.072 0.000 2.510 353 Y HA 0.006 4.556 4.550 -0.000 0.000 0.273 353 Y C 2.378 178.350 175.900 0.119 0.000 1.119 353 Y CA -0.671 57.480 58.100 0.086 0.000 1.286 353 Y CB -0.249 38.263 38.460 0.086 0.000 1.061 353 Y HN -0.122 nan 8.280 nan 0.000 0.542 354 L N 1.283 122.660 121.223 0.255 0.000 2.030 354 L HA -0.341 3.998 4.340 -0.000 0.000 0.222 354 L C 2.341 179.345 176.870 0.223 0.000 1.082 354 L CA 2.315 57.279 54.840 0.207 0.000 0.785 354 L CB -0.899 41.193 42.059 0.055 0.000 0.895 354 L HN 0.163 nan 8.230 nan 0.000 0.439 355 A N -0.556 122.354 122.820 0.150 0.000 1.835 355 A HA -0.076 4.243 4.320 -0.000 0.000 0.215 355 A C 2.507 180.189 177.584 0.163 0.000 1.199 355 A CA 2.488 54.601 52.037 0.126 0.000 0.615 355 A CB -1.557 17.486 19.000 0.073 0.000 0.838 355 A HN 0.719 nan 8.150 nan 0.000 0.444 356 A N -0.419 122.499 122.820 0.163 0.000 1.923 356 A HA -0.320 4.000 4.320 -0.000 0.000 0.222 356 A C 2.305 180.000 177.584 0.185 0.000 1.258 356 A CA 2.278 54.408 52.037 0.154 0.000 0.670 356 A CB -0.619 18.476 19.000 0.159 0.000 0.834 356 A HN 0.572 nan 8.150 nan 0.000 0.470 357 R N -1.339 119.318 120.500 0.263 0.000 2.075 357 R HA 0.143 4.483 4.340 -0.000 0.000 0.226 357 R C 2.121 178.623 176.300 0.337 0.000 1.114 357 R CA 0.922 57.229 56.100 0.345 0.000 0.972 357 R CB -0.499 30.103 30.300 0.503 0.000 0.869 357 R HN 0.546 nan 8.270 nan 0.000 0.437 358 L N 0.504 121.926 121.223 0.331 0.000 2.357 358 L HA -0.246 4.094 4.340 -0.000 0.000 0.220 358 L C 2.204 179.311 176.870 0.395 0.000 1.123 358 L CA 1.206 56.232 54.840 0.310 0.000 0.782 358 L CB -0.260 41.980 42.059 0.303 0.000 0.910 358 L HN 0.276 nan 8.230 nan 0.000 0.442 359 A N -1.313 121.660 122.820 0.255 0.000 1.963 359 A HA 0.219 4.539 4.320 -0.000 0.000 0.207 359 A C 2.421 180.088 177.584 0.138 0.000 1.243 359 A CA 0.658 52.802 52.037 0.179 0.000 0.728 359 A CB -0.398 18.668 19.000 0.109 0.000 0.895 359 A HN 0.274 nan 8.150 nan 0.000 0.467 360 A N -0.471 122.447 122.820 0.163 0.000 1.986 360 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 360 A C 1.963 179.655 177.584 0.180 0.000 1.171 360 A CA 1.876 54.007 52.037 0.156 0.000 0.640 360 A CB -0.709 18.392 19.000 0.169 0.000 0.811 360 A HN 0.816 nan 8.150 nan 0.000 0.451 361 F N -1.256 118.713 119.950 0.032 0.000 2.059 361 F HA -0.031 4.496 4.527 -0.000 0.000 0.289 361 F C 2.112 177.801 175.800 -0.186 0.000 1.128 361 F CA 1.422 59.305 58.000 -0.194 0.000 1.181 361 F CB -0.746 37.881 39.000 -0.620 0.000 1.012 361 F HN 0.199 nan 8.300 nan 0.000 0.473 362 Y N 1.298 121.266 120.300 -0.554 0.000 2.193 362 Y HA -0.200 4.350 4.550 -0.000 0.000 0.285 362 Y C 2.486 178.144 175.900 -0.404 0.000 1.166 362 Y CA 2.003 59.713 58.100 -0.651 0.000 1.181 362 Y CB -0.567 37.754 38.460 -0.232 0.000 0.976 362 Y HN 0.179 nan 8.280 nan 0.000 0.520 363 E N -0.166 119.995 120.200 -0.065 0.000 2.418 363 E HA -0.098 4.251 4.350 -0.000 0.000 0.197 363 E C 1.952 178.502 176.600 -0.084 0.000 1.026 363 E CA 0.437 56.808 56.400 -0.048 0.000 0.862 363 E CB -0.163 29.537 29.700 -0.001 0.000 0.799 363 E HN 0.494 nan 8.360 nan 0.000 0.518 364 R N 0.656 121.071 120.500 -0.142 0.000 2.285 364 R HA 0.022 4.362 4.340 -0.000 0.000 0.213 364 R C 1.093 177.298 176.300 -0.160 0.000 1.068 364 R CA 0.400 56.425 56.100 -0.125 0.000 1.004 364 R CB -0.078 30.159 30.300 -0.106 0.000 0.873 364 R HN -0.022 nan 8.270 nan 0.000 0.467 365 A N 0.648 123.339 122.820 -0.216 0.000 2.366 365 A HA 0.523 4.843 4.320 -0.000 0.000 0.250 365 A C 0.524 178.051 177.584 -0.095 0.000 1.099 365 A CA 0.571 52.504 52.037 -0.173 0.000 0.794 365 A CB 0.226 19.119 19.000 -0.179 0.000 1.056 365 A HN 0.354 nan 8.150 nan 0.000 0.499 366 G N -0.487 108.266 108.800 -0.078 0.000 2.312 366 G HA2 0.360 4.320 3.960 -0.000 0.000 0.347 366 G HA3 0.360 4.320 3.960 -0.000 0.000 0.347 366 G C -0.912 173.963 174.900 -0.042 0.000 1.564 366 G CA -0.242 44.830 45.100 -0.048 0.000 0.981 366 G HN 0.934 nan 8.290 nan 0.000 0.678 367 K N -0.294 120.088 120.400 -0.029 0.000 2.156 367 K HA 0.804 5.123 4.320 -0.000 0.000 0.271 367 K C 0.054 176.643 176.600 -0.018 0.000 0.995 367 K CA -0.525 55.751 56.287 -0.019 0.000 0.890 367 K CB 1.729 34.220 32.500 -0.015 0.000 1.073 367 K HN 1.521 nan 8.250 nan 0.000 0.454 368 V N 1.750 121.652 119.914 -0.021 0.000 3.147 368 V HA 0.511 4.631 4.120 -0.000 0.000 0.306 368 V C -0.634 175.444 176.094 -0.026 0.000 1.209 368 V CA -1.208 61.077 62.300 -0.026 0.000 1.023 368 V CB 1.568 33.367 31.823 -0.040 0.000 1.059 368 V HN 0.889 nan 8.190 nan 0.000 0.435 369 I N 3.501 124.055 120.570 -0.026 0.000 2.312 369 I HA 0.565 4.735 4.170 -0.000 0.000 0.291 369 I C 0.826 176.916 176.117 -0.045 0.000 1.031 369 I CA 0.183 61.465 61.300 -0.030 0.000 1.293 369 I CB 1.365 39.353 38.000 -0.020 0.000 1.403 369 I HN 1.125 nan 8.210 nan 0.000 0.484 370 T N 3.918 118.435 114.554 -0.062 0.000 2.701 370 T HA 0.132 4.481 4.350 -0.000 0.000 0.303 370 T C 1.316 175.968 174.700 -0.078 0.000 1.030 370 T CA -0.415 61.633 62.100 -0.086 0.000 1.010 370 T CB 0.841 69.639 68.868 -0.117 0.000 1.007 370 T HN 0.702 nan 8.240 nan 0.000 0.532 371 L N 0.732 121.898 121.223 -0.094 0.000 2.191 371 L HA 0.071 4.411 4.340 -0.000 0.000 0.212 371 L C 2.830 179.655 176.870 -0.075 0.000 1.103 371 L CA 1.396 56.187 54.840 -0.082 0.000 0.769 371 L CB -0.872 41.128 42.059 -0.098 0.000 0.908 371 L HN 1.012 nan 8.230 nan 0.000 0.438 372 G N -1.645 107.102 108.800 -0.088 0.000 2.813 372 G HA2 0.232 4.192 3.960 -0.000 0.000 0.209 372 G HA3 0.232 4.192 3.960 -0.000 0.000 0.209 372 G C 1.295 176.162 174.900 -0.055 0.000 1.150 372 G CA 0.632 45.687 45.100 -0.075 0.000 0.785 372 G HN 0.514 nan 8.290 nan 0.000 0.535 373 G N -0.429 108.340 108.800 -0.052 0.000 2.308 373 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.221 373 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.221 373 G C 0.464 175.345 174.900 -0.031 0.000 1.032 373 G CA 0.174 45.253 45.100 -0.035 0.000 0.623 373 G HN 0.448 nan 8.290 nan 0.000 0.506 374 E N 1.281 121.458 120.200 -0.038 0.000 2.478 374 E HA 0.301 4.651 4.350 -0.000 0.000 0.262 374 E C 0.460 177.043 176.600 -0.029 0.000 1.243 374 E CA 0.552 56.935 56.400 -0.028 0.000 1.039 374 E CB 0.522 30.199 29.700 -0.037 0.000 0.983 374 E HN 0.709 nan 8.360 nan 0.000 0.479 375 E N -0.766 119.427 120.200 -0.012 0.000 2.207 375 E HA 0.586 4.936 4.350 -0.000 0.000 0.270 375 E C -0.665 175.931 176.600 -0.006 0.000 0.927 375 E CA -0.701 55.694 56.400 -0.009 0.000 0.799 375 E CB 1.539 31.243 29.700 0.006 0.000 1.172 375 E HN 0.490 nan 8.360 nan 0.000 0.404 376 G N 0.777 109.569 108.800 -0.013 0.000 2.600 376 G HA2 0.698 4.658 3.960 -0.000 0.000 0.293 376 G HA3 0.698 4.658 3.960 -0.000 0.000 0.293 376 G C -1.719 173.180 174.900 -0.002 0.000 1.408 376 G CA -0.262 44.835 45.100 -0.005 0.000 0.782 376 G HN 0.739 nan 8.290 nan 0.000 0.482 377 A N -1.286 121.543 122.820 0.016 0.000 2.612 377 A HA 0.803 5.122 4.320 -0.000 0.000 0.293 377 A C -1.737 175.858 177.584 0.018 0.000 1.075 377 A CA -0.528 51.519 52.037 0.016 0.000 0.680 377 A CB 1.816 20.843 19.000 0.046 0.000 1.279 377 A HN 1.637 nan 8.150 nan 0.000 0.411 378 V N 1.502 121.406 119.914 -0.017 0.000 2.419 378 V HA 0.486 4.606 4.120 -0.000 0.000 0.287 378 V C -0.338 175.696 176.094 -0.099 0.000 1.017 378 V CA -0.302 61.974 62.300 -0.039 0.000 0.844 378 V CB 1.567 33.352 31.823 -0.063 0.000 1.011 378 V HN 0.900 nan 8.190 nan 0.000 0.429 379 T N 6.623 121.092 114.554 -0.143 0.000 2.749 379 T HA 0.605 4.955 4.350 -0.000 0.000 0.287 379 T C -0.031 174.501 174.700 -0.280 0.000 0.970 379 T CA -0.056 61.852 62.100 -0.319 0.000 0.980 379 T CB 0.557 68.963 68.868 -0.769 0.000 0.924 379 T HN 0.387 nan 8.240 nan 0.000 0.456 380 I N 3.131 123.571 120.570 -0.217 0.000 2.359 380 I HA 0.387 4.557 4.170 -0.000 0.000 0.294 380 I C -0.256 175.806 176.117 -0.092 0.000 0.987 380 I CA -1.005 60.212 61.300 -0.139 0.000 1.225 380 I CB 1.596 39.496 38.000 -0.166 0.000 1.366 380 I HN 0.242 nan 8.210 nan 0.000 0.466 381 V N 5.744 125.634 119.914 -0.040 0.000 2.266 381 V HA 0.366 4.486 4.120 -0.000 0.000 0.271 381 V C 0.738 176.875 176.094 0.072 0.000 1.032 381 V CA -0.522 61.784 62.300 0.010 0.000 0.806 381 V CB 0.862 32.745 31.823 0.099 0.000 1.052 381 V HN 0.923 nan 8.190 nan 0.000 0.449 382 G N 3.106 111.991 108.800 0.142 0.000 2.476 382 G HA2 0.613 4.572 3.960 -0.000 0.000 0.269 382 G HA3 0.613 4.572 3.960 -0.000 0.000 0.269 382 G C -0.079 174.908 174.900 0.145 0.000 1.195 382 G CA 0.007 45.205 45.100 0.163 0.000 0.843 382 G HN 0.950 nan 8.290 nan 0.000 0.545 383 A N 0.746 123.637 122.820 0.118 0.000 2.317 383 A HA 0.650 4.970 4.320 -0.000 0.000 0.327 383 A C -0.353 177.320 177.584 0.149 0.000 1.178 383 A CA -0.511 51.608 52.037 0.137 0.000 0.817 383 A CB 1.530 20.607 19.000 0.128 0.000 1.189 383 A HN 0.906 nan 8.150 nan 0.000 0.489 384 V N 2.079 122.099 119.914 0.176 0.000 2.347 384 V HA 0.447 4.567 4.120 -0.000 0.000 0.280 384 V C 0.246 176.431 176.094 0.153 0.000 1.021 384 V CA -0.224 62.173 62.300 0.161 0.000 0.847 384 V CB 1.057 32.982 31.823 0.171 0.000 0.990 384 V HN 0.781 nan 8.190 nan 0.000 0.444 385 S N 6.616 122.398 115.700 0.136 0.000 2.130 385 S HA 0.424 4.894 4.470 -0.000 0.000 0.165 385 S C -2.606 172.066 174.600 0.119 0.000 1.677 385 S CA -0.728 57.551 58.200 0.131 0.000 1.227 385 S CB 0.929 64.209 63.200 0.134 0.000 1.115 385 S HN 0.717 nan 8.310 nan 0.000 0.452 386 P HA 0.396 nan 4.420 nan 0.000 0.241 386 P C -2.445 174.905 177.300 0.083 0.000 1.696 386 P CA -1.837 61.321 63.100 0.096 0.000 1.175 386 P CB 1.294 33.050 31.700 0.093 0.000 1.551 387 P HA -0.230 nan 4.420 nan 0.000 0.219 387 P C 1.642 178.970 177.300 0.047 0.000 1.147 387 P CA 1.802 64.940 63.100 0.063 0.000 0.821 387 P CB -0.374 31.350 31.700 0.041 0.000 0.771 388 G N -0.879 107.948 108.800 0.046 0.000 2.498 388 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.219 388 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.219 388 G C 1.126 176.049 174.900 0.038 0.000 1.119 388 G CA 0.594 45.716 45.100 0.037 0.000 0.766 388 G HN 0.505 nan 8.290 nan 0.000 0.552 389 G N 0.983 109.813 108.800 0.050 0.000 2.295 389 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.287 389 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.287 389 G C -0.326 174.599 174.900 0.042 0.000 1.055 389 G CA 0.362 45.492 45.100 0.050 0.000 0.922 389 G HN 0.785 nan 8.290 nan 0.000 0.503 390 D N -0.449 119.979 120.400 0.046 0.000 2.453 390 D HA 0.421 5.061 4.640 -0.000 0.000 0.238 390 D C 1.343 177.663 176.300 0.033 0.000 1.088 390 D CA -1.401 52.621 54.000 0.037 0.000 0.854 390 D CB 0.796 41.617 40.800 0.036 0.000 1.076 390 D HN 0.005 nan 8.370 nan 0.000 0.533 391 M N 1.090 120.701 119.600 0.020 0.000 2.763 391 M HA -0.093 4.387 4.480 -0.000 0.000 0.244 391 M C 1.456 177.743 176.300 -0.022 0.000 1.065 391 M CA 0.507 55.801 55.300 -0.010 0.000 1.070 391 M CB -0.903 31.685 32.600 -0.021 0.000 1.494 391 M HN 0.498 nan 8.290 nan 0.000 0.546 392 S N -0.887 114.814 115.700 0.002 0.000 2.456 392 S HA -0.002 4.467 4.470 -0.000 0.000 0.224 392 S C 0.712 175.321 174.600 0.016 0.000 1.035 392 S CA -0.267 57.936 58.200 0.005 0.000 0.940 392 S CB -0.125 63.085 63.200 0.016 0.000 0.799 392 S HN 0.478 nan 8.310 nan 0.000 0.508 393 E N 3.289 123.511 120.200 0.037 0.000 3.557 393 E HA -0.089 4.261 4.350 -0.000 0.000 0.264 393 E C -1.790 174.809 176.600 -0.000 0.000 0.847 393 E CA -0.360 56.075 56.400 0.058 0.000 0.966 393 E CB 0.445 30.180 29.700 0.059 0.000 0.905 393 E HN 0.235 nan 8.360 nan 0.000 0.567 394 P HA -0.221 nan 4.420 nan 0.000 0.218 394 P C 1.061 178.273 177.300 -0.146 0.000 1.146 394 P CA 0.701 63.762 63.100 -0.066 0.000 0.820 394 P CB 0.196 31.869 31.700 -0.045 0.000 0.778 395 V N -0.549 119.238 119.914 -0.211 0.000 2.237 395 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 395 V C 2.370 178.420 176.094 -0.074 0.000 1.046 395 V CA 2.661 64.862 62.300 -0.165 0.000 1.007 395 V CB -1.694 30.049 31.823 -0.133 0.000 0.638 395 V HN 0.176 nan 8.190 nan 0.000 0.445 396 T N -0.688 113.830 114.554 -0.061 0.000 2.684 396 T HA -0.273 4.077 4.350 -0.000 0.000 0.267 396 T C 1.900 176.517 174.700 -0.139 0.000 1.036 396 T CA 1.843 63.886 62.100 -0.095 0.000 1.148 396 T CB -0.292 68.522 68.868 -0.090 0.000 0.863 396 T HN 0.534 nan 8.240 nan 0.000 0.436 397 Q N 0.658 120.393 119.800 -0.108 0.000 1.998 397 Q HA -0.160 4.180 4.340 -0.000 0.000 0.209 397 Q C 2.773 178.712 176.000 -0.102 0.000 1.002 397 Q CA 1.990 57.733 55.803 -0.100 0.000 0.858 397 Q CB -0.393 28.305 28.738 -0.066 0.000 0.932 397 Q HN 0.402 nan 8.270 nan 0.000 0.416 398 S N 0.194 115.844 115.700 -0.082 0.000 2.353 398 S HA -0.176 4.294 4.470 -0.000 0.000 0.222 398 S C 2.096 176.628 174.600 -0.113 0.000 1.035 398 S CA 1.703 59.862 58.200 -0.068 0.000 1.025 398 S CB -0.648 62.536 63.200 -0.027 0.000 0.902 398 S HN 0.448 nan 8.310 nan 0.000 0.440 399 T N 2.959 117.434 114.554 -0.131 0.000 2.592 399 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 399 T C 1.664 176.192 174.700 -0.287 0.000 1.060 399 T CA 1.489 63.435 62.100 -0.257 0.000 1.167 399 T CB -0.630 68.146 68.868 -0.153 0.000 0.863 399 T HN 0.262 nan 8.240 nan 0.000 0.431 400 L N 0.469 121.559 121.223 -0.221 0.000 2.478 400 L HA 0.082 4.422 4.340 -0.000 0.000 0.223 400 L C 2.753 179.548 176.870 -0.126 0.000 1.140 400 L CA 0.513 55.237 54.840 -0.192 0.000 0.842 400 L CB -0.342 41.566 42.059 -0.251 0.000 0.953 400 L HN 0.132 nan 8.230 nan 0.000 0.452 401 R N 0.598 121.019 120.500 -0.132 0.000 2.307 401 R HA -0.005 4.334 4.340 -0.000 0.000 0.199 401 R C 1.489 177.720 176.300 -0.115 0.000 1.000 401 R CA 0.967 57.004 56.100 -0.105 0.000 1.023 401 R CB 0.282 30.532 30.300 -0.084 0.000 0.908 401 R HN 0.410 nan 8.270 nan 0.000 0.473 402 I N 0.058 120.532 120.570 -0.161 0.000 4.033 402 I HA 0.017 4.187 4.170 -0.000 0.000 0.296 402 I C 0.548 176.543 176.117 -0.204 0.000 1.210 402 I CA 0.041 61.230 61.300 -0.185 0.000 1.341 402 I CB 0.665 38.525 38.000 -0.233 0.000 1.369 402 I HN -0.184 nan 8.210 nan 0.000 0.453 403 V N 0.118 119.880 119.914 -0.253 0.000 2.924 403 V HA 0.357 4.476 4.120 -0.000 0.000 0.305 403 V C 1.315 177.359 176.094 -0.083 0.000 1.073 403 V CA 0.090 62.285 62.300 -0.175 0.000 1.098 403 V CB 0.551 32.257 31.823 -0.194 0.000 1.000 403 V HN 0.363 nan 8.190 nan 0.000 0.484 404 G N 1.170 109.968 108.800 -0.002 0.000 2.985 404 G HA2 0.569 4.529 3.960 -0.000 0.000 0.209 404 G HA3 0.569 4.529 3.960 -0.000 0.000 0.209 404 G C 0.332 175.175 174.900 -0.094 0.000 1.165 404 G CA 0.556 45.412 45.100 -0.406 0.000 0.776 404 G HN 1.620 nan 8.290 nan 0.000 0.541 405 A N -0.995 121.878 122.820 0.087 0.000 2.597 405 A HA 0.640 4.960 4.320 -0.000 0.000 0.292 405 A C -2.266 175.118 177.584 -0.334 0.000 1.057 405 A CA -0.649 51.375 52.037 -0.023 0.000 0.674 405 A CB 1.196 20.224 19.000 0.047 0.000 1.278 405 A HN 0.345 nan 8.150 nan 0.000 0.416 406 F N 1.303 120.744 119.950 -0.849 0.000 2.539 406 F HA 0.734 5.261 4.527 -0.000 0.000 0.318 406 F C -1.608 173.865 175.800 -0.545 0.000 1.135 406 F CA -1.293 56.255 58.000 -0.754 0.000 0.915 406 F CB 1.373 39.875 39.000 -0.830 0.000 1.176 406 F HN 0.532 nan 8.300 nan 0.000 0.440 407 W N 6.542 127.397 121.300 -0.743 0.000 2.309 407 W HA 0.353 5.012 4.660 -0.000 0.000 0.332 407 W C 0.051 176.012 176.519 -0.931 0.000 0.962 407 W CA -1.102 55.834 57.345 -0.682 0.000 1.497 407 W CB 0.570 29.831 29.460 -0.331 0.000 1.308 407 W HN 0.465 nan 8.180 nan 0.000 0.384 408 R N 2.697 122.748 120.500 -0.748 0.000 2.291 408 R HA 0.337 4.677 4.340 -0.000 0.000 0.333 408 R C -0.541 175.582 176.300 -0.294 0.000 1.082 408 R CA 0.199 55.939 56.100 -0.601 0.000 0.948 408 R CB -0.127 30.015 30.300 -0.264 0.000 1.009 408 R HN 0.448 nan 8.270 nan 0.000 0.460 409 L N 2.721 123.817 121.223 -0.211 0.000 2.456 409 L HA 0.394 4.734 4.340 -0.000 0.000 0.257 409 L C -0.142 176.677 176.870 -0.084 0.000 1.162 409 L CA -0.154 54.621 54.840 -0.108 0.000 0.808 409 L CB 0.914 42.947 42.059 -0.042 0.000 1.136 409 L HN 0.692 nan 8.230 nan 0.000 0.466 410 D N -0.210 120.141 120.400 -0.081 0.000 2.738 410 D HA 0.303 4.943 4.640 -0.000 0.000 0.218 410 D C 0.029 176.282 176.300 -0.078 0.000 1.345 410 D CA -0.362 53.586 54.000 -0.087 0.000 0.943 410 D CB 1.968 42.680 40.800 -0.147 0.000 1.514 410 D HN 0.483 nan 8.370 nan 0.000 0.585 411 A N 2.332 125.128 122.820 -0.040 0.000 2.168 411 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 411 A C 1.986 179.561 177.584 -0.015 0.000 1.152 411 A CA 1.505 53.530 52.037 -0.020 0.000 0.716 411 A CB -0.017 18.992 19.000 0.015 0.000 0.794 411 A HN 0.430 nan 8.150 nan 0.000 0.465 412 S N -0.515 115.159 115.700 -0.044 0.000 2.357 412 S HA -0.113 4.357 4.470 -0.000 0.000 0.221 412 S C 1.884 176.473 174.600 -0.018 0.000 1.031 412 S CA 1.423 59.606 58.200 -0.028 0.000 0.982 412 S CB -0.363 62.796 63.200 -0.068 0.000 0.853 412 S HN 0.353 nan 8.310 nan 0.000 0.458 413 L N 2.034 123.191 121.223 -0.111 0.000 2.056 413 L HA 0.209 4.549 4.340 -0.000 0.000 0.207 413 L C 2.735 179.496 176.870 -0.182 0.000 1.078 413 L CA 1.833 56.578 54.840 -0.158 0.000 0.749 413 L CB -1.552 40.360 42.059 -0.244 0.000 0.901 413 L HN 0.412 nan 8.230 nan 0.000 0.433 414 A N -1.063 121.607 122.820 -0.249 0.000 1.883 414 A HA -0.306 4.013 4.320 -0.000 0.000 0.217 414 A C 2.282 179.790 177.584 -0.127 0.000 1.186 414 A CA 1.996 53.775 52.037 -0.430 0.000 0.624 414 A CB -1.226 17.641 19.000 -0.221 0.000 0.822 414 A HN 0.435 nan 8.150 nan 0.000 0.444 415 F N 0.663 120.543 119.950 -0.117 0.000 2.120 415 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 415 F C 2.350 178.137 175.800 -0.022 0.000 1.095 415 F CA 1.995 59.974 58.000 -0.035 0.000 1.249 415 F CB -0.296 38.693 39.000 -0.019 0.000 0.995 415 F HN 0.153 nan 8.300 nan 0.000 0.480 416 R N -0.247 120.270 120.500 0.029 0.000 2.293 416 R HA -0.049 4.291 4.340 -0.000 0.000 0.219 416 R C 0.528 176.807 176.300 -0.036 0.000 1.091 416 R CA 0.965 57.052 56.100 -0.023 0.000 1.004 416 R CB -0.160 30.157 30.300 0.029 0.000 0.865 416 R HN 0.249 nan 8.270 nan 0.000 0.469 417 R N -1.658 118.803 120.500 -0.066 0.000 3.822 417 R HA -0.180 4.160 4.340 -0.000 0.000 0.366 417 R C -0.659 175.648 176.300 0.012 0.000 1.137 417 R CA 0.561 56.666 56.100 0.009 0.000 0.933 417 R CB -2.495 27.847 30.300 0.070 0.000 1.522 417 R HN 0.438 nan 8.270 nan 0.000 0.519 418 H N -0.222 118.714 119.070 -0.224 0.000 2.604 418 H HA 0.545 5.101 4.556 -0.000 0.000 0.306 418 H C -0.749 174.360 175.328 -0.365 0.000 1.075 418 H CA -0.014 55.944 56.048 -0.150 0.000 1.357 418 H CB 0.432 30.175 29.762 -0.032 0.000 1.426 418 H HN 0.075 nan 8.280 nan 0.000 0.470 419 F N 6.083 125.917 119.950 -0.193 0.000 2.581 419 F HA 0.323 4.850 4.527 -0.000 0.000 0.311 419 F C -2.272 173.407 175.800 -0.202 0.000 1.113 419 F CA -2.194 55.736 58.000 -0.117 0.000 0.935 419 F CB 2.380 41.301 39.000 -0.132 0.000 1.232 419 F HN 0.520 nan 8.300 nan 0.000 0.445 420 P HA 0.166 nan 4.420 nan 0.000 0.280 420 P C -0.509 176.881 177.300 0.150 0.000 1.244 420 P CA -0.317 62.921 63.100 0.231 0.000 0.784 420 P CB 1.435 33.185 31.700 0.083 0.000 0.913 421 A N 4.601 127.456 122.820 0.058 0.000 2.849 421 A HA 0.044 4.364 4.320 -0.000 0.000 0.246 421 A C 0.795 178.355 177.584 -0.040 0.000 1.820 421 A CA -0.118 51.883 52.037 -0.059 0.000 1.512 421 A CB -1.861 17.013 19.000 -0.209 0.000 0.884 421 A HN 0.678 nan 8.150 nan 0.000 0.626 422 I N -0.518 120.065 120.570 0.021 0.000 2.396 422 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 422 I C -0.003 176.054 176.117 -0.100 0.000 0.999 422 I CA -0.671 60.598 61.300 -0.051 0.000 1.310 422 I CB 0.866 38.835 38.000 -0.053 0.000 1.404 422 I HN 0.308 nan 8.210 nan 0.000 0.496 423 N N 7.267 125.823 118.700 -0.239 0.000 2.420 423 N HA 0.050 4.789 4.740 -0.000 0.000 0.249 423 N C 0.389 175.756 175.510 -0.238 0.000 1.033 423 N CA -0.474 52.336 53.050 -0.401 0.000 0.944 423 N CB 0.780 39.049 38.487 -0.363 0.000 1.113 423 N HN 0.907 nan 8.380 nan 0.000 0.502 424 W N 4.751 126.092 121.300 0.068 0.000 2.402 424 W HA 0.038 4.698 4.660 -0.000 0.000 0.286 424 W C 0.915 177.592 176.519 0.263 0.000 1.221 424 W CA 0.301 57.846 57.345 0.333 0.000 1.257 424 W CB -0.528 29.142 29.460 0.351 0.000 1.120 424 W HN 0.405 nan 8.180 nan 0.000 0.551 425 N N 0.833 119.562 118.700 0.048 0.000 2.250 425 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 425 N C 2.120 177.687 175.510 0.094 0.000 1.017 425 N CA 2.000 55.113 53.050 0.104 0.000 0.866 425 N CB -1.062 37.422 38.487 -0.005 0.000 0.985 425 N HN 0.361 nan 8.380 nan 0.000 0.429 426 G N -0.231 108.567 108.800 -0.004 0.000 2.408 426 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.215 426 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.215 426 G C 0.572 175.524 174.900 0.087 0.000 1.156 426 G CA 0.221 45.349 45.100 0.047 0.000 0.793 426 G HN 0.238 nan 8.290 nan 0.000 0.535 427 S N -0.548 115.087 115.700 -0.108 0.000 2.645 427 S HA 0.633 5.102 4.470 -0.000 0.000 0.266 427 S C -0.542 174.054 174.600 -0.006 0.000 1.258 427 S CA -0.349 57.647 58.200 -0.339 0.000 0.990 427 S CB 0.870 63.497 63.200 -0.955 0.000 0.967 427 S HN 0.603 nan 8.310 nan 0.000 0.556 428 Y N -2.193 118.205 120.300 0.163 0.000 2.750 428 Y HA 0.748 5.298 4.550 -0.000 0.000 0.335 428 Y C -0.861 175.322 175.900 0.472 0.000 1.252 428 Y CA -1.129 57.251 58.100 0.467 0.000 1.064 428 Y CB 1.019 39.634 38.460 0.259 0.000 1.321 428 Y HN 0.575 nan 8.280 nan 0.000 0.451 429 S N 0.717 116.852 115.700 0.725 0.000 2.547 429 S HA 0.535 5.005 4.470 -0.000 0.000 0.281 429 S C -0.643 174.158 174.600 0.335 0.000 1.118 429 S CA -0.828 57.697 58.200 0.541 0.000 0.947 429 S CB 1.248 64.778 63.200 0.549 0.000 1.053 429 S HN 0.827 nan 8.310 nan 0.000 0.482 430 L N 3.740 125.017 121.223 0.090 0.000 2.616 430 L HA 0.275 4.615 4.340 -0.000 0.000 0.229 430 L C 0.841 177.577 176.870 -0.224 0.000 1.110 430 L CA 0.389 55.126 54.840 -0.171 0.000 0.884 430 L CB -0.288 41.545 42.059 -0.377 0.000 1.115 430 L HN 0.646 nan 8.230 nan 0.000 0.481 431 F N 0.266 120.295 119.950 0.133 0.000 2.446 431 F HA -0.078 4.449 4.527 -0.000 0.000 0.292 431 F C 2.657 178.520 175.800 0.104 0.000 1.096 431 F CA 1.021 59.079 58.000 0.095 0.000 1.438 431 F CB -0.709 38.346 39.000 0.092 0.000 1.107 431 F HN 0.087 nan 8.300 nan 0.000 0.546 432 T N -1.942 112.812 114.554 0.333 0.000 2.656 432 T HA -0.412 3.938 4.350 -0.000 0.000 0.262 432 T C 2.124 176.960 174.700 0.227 0.000 1.070 432 T CA 1.902 64.185 62.100 0.306 0.000 1.160 432 T CB -1.294 67.743 68.868 0.281 0.000 0.855 432 T HN 0.282 nan 8.240 nan 0.000 0.456 433 S N 1.535 117.331 115.700 0.160 0.000 2.359 433 S HA 0.004 4.473 4.470 -0.000 0.000 0.224 433 S C 2.262 176.920 174.600 0.097 0.000 1.035 433 S CA 1.356 59.628 58.200 0.120 0.000 1.018 433 S CB -0.812 62.435 63.200 0.079 0.000 0.876 433 S HN 0.827 nan 8.310 nan 0.000 0.448 434 A N -0.049 122.821 122.820 0.084 0.000 2.251 434 A HA 0.389 4.709 4.320 -0.000 0.000 0.209 434 A C 1.635 179.216 177.584 -0.006 0.000 1.187 434 A CA 0.105 52.173 52.037 0.052 0.000 0.823 434 A CB -0.254 18.784 19.000 0.064 0.000 0.846 434 A HN 0.543 nan 8.150 nan 0.000 0.486 435 L N -0.953 120.226 121.223 -0.074 0.000 2.567 435 L HA 0.065 4.405 4.340 -0.000 0.000 0.225 435 L C 1.230 177.748 176.870 -0.587 0.000 1.119 435 L CA 0.113 54.721 54.840 -0.387 0.000 0.871 435 L CB -0.165 41.545 42.059 -0.582 0.000 1.036 435 L HN 0.084 nan 8.230 nan 0.000 0.459 436 D N 0.705 121.044 120.400 -0.103 0.000 2.117 436 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 436 D C -0.418 175.957 176.300 0.126 0.000 0.987 436 D CA 1.255 55.359 54.000 0.173 0.000 0.829 436 D CB -1.274 39.679 40.800 0.255 0.000 0.961 436 D HN 0.166 nan 8.370 nan 0.000 0.460 437 P HA -0.173 nan 4.420 nan 0.000 0.214 437 P C 1.326 178.663 177.300 0.061 0.000 1.163 437 P CA 1.151 64.288 63.100 0.062 0.000 0.889 437 P CB -0.186 31.544 31.700 0.050 0.000 0.790 438 W N -0.723 120.493 121.300 -0.140 0.000 2.321 438 W HA -0.260 4.400 4.660 -0.000 0.000 0.306 438 W C 2.271 178.743 176.519 -0.078 0.000 1.217 438 W CA 1.608 58.868 57.345 -0.142 0.000 1.257 438 W CB -1.108 28.218 29.460 -0.224 0.000 1.145 438 W HN -0.007 nan 8.180 nan 0.000 0.509 439 Y N 0.150 120.594 120.300 0.240 0.000 2.070 439 Y HA -0.330 4.219 4.550 -0.000 0.000 0.280 439 Y C 2.756 178.568 175.900 -0.147 0.000 1.148 439 Y CA 1.673 59.760 58.100 -0.022 0.000 1.125 439 Y CB -0.758 37.669 38.460 -0.054 0.000 0.975 439 Y HN -0.159 nan 8.280 nan 0.000 0.492 440 R N 0.094 120.683 120.500 0.149 0.000 2.127 440 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 440 R C 1.744 177.998 176.300 -0.077 0.000 1.134 440 R CA 1.626 57.760 56.100 0.057 0.000 0.975 440 R CB -0.393 29.953 30.300 0.076 0.000 0.865 440 R HN 0.341 nan 8.270 nan 0.000 0.447 441 E N -0.057 120.049 120.200 -0.156 0.000 2.216 441 E HA 0.016 4.365 4.350 -0.000 0.000 0.192 441 E C 1.132 177.489 176.600 -0.406 0.000 0.988 441 E CA 0.820 57.071 56.400 -0.248 0.000 0.834 441 E CB 0.099 29.653 29.700 -0.244 0.000 0.772 441 E HN 0.311 nan 8.360 nan 0.000 0.479 442 N N -1.018 117.304 118.700 -0.630 0.000 2.166 442 N HA 0.093 4.832 4.740 -0.000 0.000 0.213 442 N C 0.611 175.777 175.510 -0.574 0.000 1.222 442 N CA 0.223 52.764 53.050 -0.848 0.000 0.900 442 N CB 1.748 39.049 38.487 -1.977 0.000 1.055 442 N HN -0.029 nan 8.380 nan 0.000 0.515 443 V N 0.079 119.752 119.914 -0.402 0.000 3.058 443 V HA 0.519 4.639 4.120 -0.000 0.000 0.233 443 V C -0.056 175.836 176.094 -0.338 0.000 1.255 443 V CA 0.357 62.490 62.300 -0.279 0.000 1.267 443 V CB 1.046 32.734 31.823 -0.224 0.000 1.049 443 V HN 0.178 nan 8.190 nan 0.000 0.486 444 A N -0.070 122.598 122.820 -0.253 0.000 2.588 444 A HA 0.452 4.772 4.320 -0.000 0.000 0.305 444 A C 0.236 177.788 177.584 -0.053 0.000 0.991 444 A CA 0.161 52.034 52.037 -0.273 0.000 0.784 444 A CB 0.493 19.070 19.000 -0.705 0.000 1.189 444 A HN 0.050 nan 8.150 nan 0.000 0.390 445 E N 1.512 121.695 120.200 -0.030 0.000 2.147 445 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 445 E C 0.749 177.408 176.600 0.098 0.000 1.005 445 E CA 2.397 58.816 56.400 0.032 0.000 0.810 445 E CB 0.068 29.782 29.700 0.024 0.000 0.736 445 E HN 0.687 nan 8.360 nan 0.000 0.460 446 D N -1.079 119.400 120.400 0.132 0.000 3.123 446 D HA -0.033 4.606 4.640 -0.000 0.000 0.305 446 D C 0.759 177.211 176.300 0.253 0.000 1.373 446 D CA -0.505 53.599 54.000 0.175 0.000 0.889 446 D CB -0.616 40.280 40.800 0.160 0.000 1.070 446 D HN 0.224 nan 8.370 nan 0.000 0.494 447 Y N 2.057 122.434 120.300 0.128 0.000 2.109 447 Y HA 0.040 4.590 4.550 -0.000 0.000 0.281 447 Y C -0.798 175.141 175.900 0.065 0.000 1.113 447 Y CA 1.371 59.542 58.100 0.118 0.000 1.098 447 Y CB -1.169 37.320 38.460 0.047 0.000 0.996 447 Y HN -0.007 nan 8.280 nan 0.000 0.485 448 P HA -0.263 nan 4.420 nan 0.000 0.217 448 P C 1.367 178.648 177.300 -0.033 0.000 1.162 448 P CA 2.812 65.975 63.100 0.105 0.000 0.901 448 P CB -0.269 31.570 31.700 0.232 0.000 0.793 449 E N -0.074 120.131 120.200 0.008 0.000 2.049 449 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 449 E C 2.240 178.786 176.600 -0.090 0.000 1.007 449 E CA 1.263 57.652 56.400 -0.020 0.000 0.809 449 E CB -1.564 28.145 29.700 0.015 0.000 0.749 449 E HN 0.287 nan 8.360 nan 0.000 0.450 450 L N 0.953 122.101 121.223 -0.125 0.000 2.046 450 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 450 L C 3.036 179.718 176.870 -0.313 0.000 1.077 450 L CA 1.958 56.672 54.840 -0.209 0.000 0.747 450 L CB -0.650 41.275 42.059 -0.223 0.000 0.896 450 L HN 0.243 nan 8.230 nan 0.000 0.432 451 R N -0.160 120.093 120.500 -0.411 0.000 2.148 451 R HA -0.147 4.193 4.340 -0.000 0.000 0.223 451 R C 1.383 177.526 176.300 -0.262 0.000 1.088 451 R CA 1.601 57.451 56.100 -0.418 0.000 0.985 451 R CB -0.317 29.656 30.300 -0.545 0.000 0.880 451 R HN 0.238 nan 8.270 nan 0.000 0.451 452 D N 1.413 121.704 120.400 -0.182 0.000 2.117 452 D HA -0.011 4.629 4.640 -0.000 0.000 0.198 452 D C 1.901 178.131 176.300 -0.117 0.000 0.982 452 D CA 1.725 55.661 54.000 -0.107 0.000 0.828 452 D CB -0.131 40.639 40.800 -0.050 0.000 0.967 452 D HN 0.395 nan 8.370 nan 0.000 0.464 453 A N 0.557 123.296 122.820 -0.135 0.000 1.972 453 A HA -0.133 4.186 4.320 -0.000 0.000 0.219 453 A C 2.143 179.610 177.584 -0.195 0.000 1.169 453 A CA 0.809 52.766 52.037 -0.134 0.000 0.635 453 A CB -0.409 18.520 19.000 -0.118 0.000 0.810 453 A HN 0.160 nan 8.150 nan 0.000 0.446 454 I N 0.304 120.721 120.570 -0.254 0.000 2.235 454 I HA -0.153 4.017 4.170 -0.000 0.000 0.241 454 I C 2.875 178.834 176.117 -0.263 0.000 1.085 454 I CA 1.849 62.956 61.300 -0.320 0.000 1.378 454 I CB -1.235 36.496 38.000 -0.449 0.000 1.076 454 I HN 0.535 nan 8.210 nan 0.000 0.415 455 S N 0.433 116.007 115.700 -0.210 0.000 2.419 455 S HA -0.165 4.304 4.470 -0.000 0.000 0.233 455 S C 1.741 176.287 174.600 -0.089 0.000 1.016 455 S CA 0.995 59.113 58.200 -0.136 0.000 0.974 455 S CB -0.247 62.897 63.200 -0.093 0.000 0.786 455 S HN 0.332 nan 8.310 nan 0.000 0.492 456 E N 1.484 121.624 120.200 -0.100 0.000 2.107 456 E HA 0.099 4.449 4.350 -0.000 0.000 0.191 456 E C 2.059 178.606 176.600 -0.088 0.000 0.982 456 E CA 0.782 57.141 56.400 -0.069 0.000 0.809 456 E CB -0.460 29.204 29.700 -0.059 0.000 0.756 456 E HN 0.565 nan 8.360 nan 0.000 0.459 457 L N 0.348 121.477 121.223 -0.157 0.000 2.201 457 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 457 L C 2.464 179.245 176.870 -0.147 0.000 1.105 457 L CA 0.465 55.189 54.840 -0.192 0.000 0.775 457 L CB -0.252 41.606 42.059 -0.335 0.000 0.913 457 L HN 0.130 nan 8.230 nan 0.000 0.440 458 L N -0.861 120.270 121.223 -0.153 0.000 2.005 458 L HA -0.247 4.093 4.340 -0.000 0.000 0.207 458 L C 2.658 179.540 176.870 0.020 0.000 1.072 458 L CA 1.355 56.117 54.840 -0.131 0.000 0.744 458 L CB -0.487 41.430 42.059 -0.238 0.000 0.895 458 L HN 0.324 nan 8.230 nan 0.000 0.433 459 Q N -0.366 119.462 119.800 0.046 0.000 2.062 459 Q HA -0.313 4.027 4.340 -0.000 0.000 0.209 459 Q C 2.407 178.443 176.000 0.061 0.000 0.996 459 Q CA 2.017 57.869 55.803 0.082 0.000 0.859 459 Q CB -0.164 28.610 28.738 0.060 0.000 0.920 459 Q HN 0.306 nan 8.270 nan 0.000 0.415 460 R N 0.337 120.851 120.500 0.023 0.000 2.081 460 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 460 R C 2.179 178.495 176.300 0.026 0.000 1.131 460 R CA 1.326 57.438 56.100 0.020 0.000 0.960 460 R CB -0.129 30.173 30.300 0.003 0.000 0.856 460 R HN 0.314 nan 8.270 nan 0.000 0.436 461 E N 0.048 120.256 120.200 0.013 0.000 2.070 461 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 461 E C 1.726 178.372 176.600 0.076 0.000 1.004 461 E CA 1.480 57.900 56.400 0.032 0.000 0.805 461 E CB -0.077 29.628 29.700 0.008 0.000 0.744 461 E HN 0.428 nan 8.360 nan 0.000 0.451 462 A N 0.429 123.316 122.820 0.113 0.000 1.940 462 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 462 A C 2.189 179.825 177.584 0.086 0.000 1.176 462 A CA 1.742 53.861 52.037 0.136 0.000 0.631 462 A CB -0.657 18.453 19.000 0.184 0.000 0.814 462 A HN 0.352 nan 8.150 nan 0.000 0.446 463 G N -1.602 107.240 108.800 0.069 0.000 3.383 463 G HA2 0.405 4.365 3.960 -0.000 0.000 0.251 463 G HA3 0.405 4.365 3.960 -0.000 0.000 0.251 463 G C 0.915 175.841 174.900 0.044 0.000 1.203 463 G CA 0.040 45.171 45.100 0.052 0.000 0.852 463 G HN 0.372 nan 8.290 nan 0.000 0.531 464 L N -1.316 119.935 121.223 0.047 0.000 2.586 464 L HA 0.112 4.452 4.340 -0.000 0.000 0.204 464 L C 2.324 179.219 176.870 0.042 0.000 1.053 464 L CA 0.040 54.905 54.840 0.042 0.000 0.856 464 L CB -0.050 42.033 42.059 0.042 0.000 1.192 464 L HN 0.069 nan 8.230 nan 0.000 0.484 465 Q N 0.777 120.606 119.800 0.049 0.000 2.522 465 Q HA -0.190 4.150 4.340 -0.000 0.000 0.216 465 Q C 1.408 177.431 176.000 0.039 0.000 0.986 465 Q CA 1.039 56.869 55.803 0.046 0.000 0.901 465 Q CB 0.002 28.773 28.738 0.056 0.000 0.954 465 Q HN 0.587 nan 8.270 nan 0.000 0.502 466 E N 0.048 120.271 120.200 0.038 0.000 2.166 466 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 466 E C 1.727 178.343 176.600 0.028 0.000 0.967 466 E CA 0.507 56.926 56.400 0.032 0.000 0.840 466 E CB 0.170 29.890 29.700 0.033 0.000 0.795 466 E HN 0.419 nan 8.360 nan 0.000 0.470 467 I N 0.798 121.386 120.570 0.029 0.000 3.875 467 I HA -0.001 4.169 4.170 -0.000 0.000 0.329 467 I C 1.660 177.792 176.117 0.026 0.000 1.295 467 I CA 0.060 61.375 61.300 0.026 0.000 1.129 467 I CB 0.423 38.438 38.000 0.025 0.000 1.008 467 I HN -0.182 nan 8.210 nan 0.000 0.413 468 V N 0.601 120.532 119.914 0.028 0.000 3.125 468 V HA -0.103 4.017 4.120 -0.000 0.000 0.249 468 V C 2.415 178.524 176.094 0.026 0.000 1.113 468 V CA 1.022 63.339 62.300 0.028 0.000 1.106 468 V CB -0.100 31.742 31.823 0.032 0.000 0.768 468 V HN 0.514 nan 8.190 nan 0.000 0.468 469 Q N 0.206 120.022 119.800 0.026 0.000 2.167 469 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 469 Q C 1.692 177.704 176.000 0.020 0.000 0.970 469 Q CA 1.703 57.520 55.803 0.023 0.000 0.855 469 Q CB 0.115 28.866 28.738 0.023 0.000 0.911 469 Q HN 0.603 nan 8.270 nan 0.000 0.438 470 L N -0.529 120.705 121.223 0.019 0.000 2.966 470 L HA 0.216 4.556 4.340 -0.000 0.000 0.262 470 L C 0.860 177.740 176.870 0.016 0.000 1.165 470 L CA -0.190 54.660 54.840 0.017 0.000 0.978 470 L CB 1.744 43.812 42.059 0.016 0.000 1.337 470 L HN 0.013 nan 8.230 nan 0.000 0.563 471 V N -0.104 119.821 119.914 0.018 0.000 3.355 471 V HA 0.499 4.619 4.120 -0.000 0.000 0.330 471 V C 0.519 176.624 176.094 0.018 0.000 1.479 471 V CA 0.354 62.664 62.300 0.017 0.000 1.150 471 V CB 0.354 32.187 31.823 0.017 0.000 1.044 471 V HN 0.413 nan 8.190 nan 0.000 0.501 472 G N 2.264 111.076 108.800 0.019 0.000 2.870 472 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.685 472 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.685 472 G C -1.384 173.529 174.900 0.022 0.000 1.556 472 G CA -0.052 45.060 45.100 0.020 0.000 1.042 472 G HN 0.296 nan 8.290 nan 0.000 0.592 473 P HA 0.030 nan 4.420 nan 0.000 0.237 473 P C 0.756 178.071 177.300 0.024 0.000 1.178 473 P CA 1.426 64.542 63.100 0.026 0.000 0.766 473 P CB 0.063 31.779 31.700 0.028 0.000 0.876 474 D N 1.262 121.674 120.400 0.021 0.000 2.149 474 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 474 D C 1.861 178.172 176.300 0.018 0.000 0.972 474 D CA 1.066 55.077 54.000 0.019 0.000 0.835 474 D CB -0.912 39.898 40.800 0.017 0.000 0.966 474 D HN 0.115 nan 8.370 nan 0.000 0.476 475 A N 0.262 123.093 122.820 0.019 0.000 2.265 475 A HA 0.166 4.485 4.320 -0.000 0.000 0.213 475 A C 0.299 177.895 177.584 0.020 0.000 1.255 475 A CA 0.013 52.060 52.037 0.018 0.000 0.862 475 A CB -0.765 18.245 19.000 0.017 0.000 0.852 475 A HN 0.174 nan 8.150 nan 0.000 0.484 476 L N 0.603 121.839 121.223 0.022 0.000 2.264 476 L HA 0.221 4.561 4.340 -0.000 0.000 0.289 476 L C 0.828 177.712 176.870 0.024 0.000 1.044 476 L CA -0.540 54.315 54.840 0.025 0.000 0.807 476 L CB 1.003 43.080 42.059 0.030 0.000 1.192 476 L HN 0.384 nan 8.230 nan 0.000 0.425 477 Q N 1.615 121.429 119.800 0.023 0.000 2.540 477 Q HA -0.088 4.251 4.340 -0.000 0.000 0.256 477 Q C 0.206 176.221 176.000 0.024 0.000 1.084 477 Q CA 0.065 55.880 55.803 0.020 0.000 0.956 477 Q CB 0.962 29.710 28.738 0.018 0.000 1.303 477 Q HN 0.598 nan 8.270 nan 0.000 0.509 478 D N 1.528 121.939 120.400 0.019 0.000 2.097 478 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 478 D C 1.451 177.770 176.300 0.031 0.000 0.989 478 D CA 1.712 55.725 54.000 0.022 0.000 0.827 478 D CB -0.311 40.496 40.800 0.011 0.000 0.966 478 D HN 0.648 nan 8.370 nan 0.000 0.456 479 A N 1.013 123.849 122.820 0.026 0.000 2.186 479 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 479 A C 1.868 179.496 177.584 0.073 0.000 1.159 479 A CA 1.242 53.304 52.037 0.041 0.000 0.680 479 A CB -0.208 18.809 19.000 0.028 0.000 0.787 479 A HN 0.094 nan 8.150 nan 0.000 0.467 480 E N -0.000 120.235 120.200 0.059 0.000 2.021 480 E HA -0.099 4.251 4.350 -0.000 0.000 0.189 480 E C 2.033 178.675 176.600 0.069 0.000 0.980 480 E CA 0.768 57.204 56.400 0.061 0.000 0.803 480 E CB -0.534 29.194 29.700 0.046 0.000 0.766 480 E HN 0.610 nan 8.360 nan 0.000 0.449 481 R N 0.411 120.949 120.500 0.062 0.000 2.185 481 R HA -0.164 4.175 4.340 -0.000 0.000 0.247 481 R C 2.301 178.656 176.300 0.093 0.000 1.159 481 R CA 0.810 56.950 56.100 0.067 0.000 0.988 481 R CB -0.254 30.081 30.300 0.058 0.000 0.871 481 R HN 0.063 nan 8.270 nan 0.000 0.458 482 L N -0.262 121.029 121.223 0.113 0.000 2.034 482 L HA -0.099 4.241 4.340 -0.000 0.000 0.203 482 L C 2.067 179.053 176.870 0.193 0.000 1.074 482 L CA 1.426 56.371 54.840 0.175 0.000 0.748 482 L CB -0.684 41.483 42.059 0.179 0.000 0.905 482 L HN -0.122 nan 8.230 nan 0.000 0.439 483 V N 0.298 120.318 119.914 0.177 0.000 2.250 483 V HA -0.407 3.713 4.120 -0.000 0.000 0.253 483 V C 2.571 178.682 176.094 0.029 0.000 1.065 483 V CA 2.583 64.936 62.300 0.089 0.000 1.039 483 V CB -0.513 31.354 31.823 0.073 0.000 0.647 483 V HN 0.462 nan 8.190 nan 0.000 0.446 484 I N -0.550 120.049 120.570 0.048 0.000 2.194 484 I HA -0.237 3.933 4.170 -0.000 0.000 0.246 484 I C 2.489 178.628 176.117 0.037 0.000 1.093 484 I CA 1.521 62.844 61.300 0.039 0.000 1.355 484 I CB -0.357 37.672 38.000 0.049 0.000 1.046 484 I HN 0.367 nan 8.210 nan 0.000 0.413 485 E N -0.145 120.094 120.200 0.065 0.000 2.427 485 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 485 E C 2.125 178.754 176.600 0.048 0.000 1.028 485 E CA 0.613 57.055 56.400 0.071 0.000 0.864 485 E CB 0.339 30.108 29.700 0.115 0.000 0.813 485 E HN 0.321 nan 8.360 nan 0.000 0.514 486 V N -0.275 119.659 119.914 0.032 0.000 2.672 486 V HA 0.015 4.135 4.120 -0.000 0.000 0.242 486 V C 2.226 178.246 176.094 -0.123 0.000 1.059 486 V CA 1.318 63.592 62.300 -0.044 0.000 1.081 486 V CB -0.146 31.655 31.823 -0.036 0.000 0.752 486 V HN 0.267 nan 8.190 nan 0.000 0.472 487 G N 0.223 108.948 108.800 -0.125 0.000 2.547 487 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.221 487 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.221 487 G C 1.660 176.498 174.900 -0.103 0.000 1.140 487 G CA 1.483 46.501 45.100 -0.136 0.000 0.760 487 G HN 0.409 nan 8.290 nan 0.000 0.583 488 R N -0.166 120.306 120.500 -0.046 0.000 2.082 488 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 488 R C 2.589 178.862 176.300 -0.046 0.000 1.136 488 R CA 1.472 57.560 56.100 -0.019 0.000 0.935 488 R CB -0.355 29.949 30.300 0.007 0.000 0.842 488 R HN 0.305 nan 8.270 nan 0.000 0.430 489 I N 1.149 121.675 120.570 -0.075 0.000 2.248 489 I HA -0.300 3.869 4.170 -0.000 0.000 0.248 489 I C 2.336 178.398 176.117 -0.091 0.000 1.107 489 I CA 1.542 62.779 61.300 -0.104 0.000 1.373 489 I CB -0.701 37.193 38.000 -0.177 0.000 1.055 489 I HN 0.316 nan 8.210 nan 0.000 0.418 490 I N 0.051 120.550 120.570 -0.120 0.000 2.252 490 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 490 I C 2.763 178.843 176.117 -0.063 0.000 1.102 490 I CA 0.953 62.187 61.300 -0.110 0.000 1.385 490 I CB -0.391 37.469 38.000 -0.234 0.000 1.064 490 I HN 0.144 nan 8.210 nan 0.000 0.414 491 R N 0.899 121.340 120.500 -0.098 0.000 2.082 491 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 491 R C 2.188 178.510 176.300 0.037 0.000 1.136 491 R CA 1.845 57.944 56.100 -0.002 0.000 0.935 491 R CB -0.471 29.870 30.300 0.070 0.000 0.842 491 R HN 0.448 nan 8.270 nan 0.000 0.430 492 E N -0.068 120.137 120.200 0.008 0.000 2.152 492 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 492 E C 0.772 177.331 176.600 -0.068 0.000 0.983 492 E CA 0.998 57.385 56.400 -0.021 0.000 0.818 492 E CB 0.162 29.861 29.700 -0.002 0.000 0.758 492 E HN 0.367 nan 8.360 nan 0.000 0.467 493 D N -1.406 118.961 120.400 -0.055 0.000 2.441 493 D HA 0.057 4.697 4.640 -0.000 0.000 0.210 493 D C 0.606 176.884 176.300 -0.037 0.000 1.102 493 D CA 0.104 54.064 54.000 -0.068 0.000 0.840 493 D CB 0.357 41.135 40.800 -0.037 0.000 0.990 493 D HN 0.101 nan 8.370 nan 0.000 0.505 494 F N 0.129 119.971 119.950 -0.180 0.000 2.729 494 F HA 0.258 4.785 4.527 -0.000 0.000 0.304 494 F C 1.325 177.013 175.800 -0.187 0.000 1.008 494 F CA 0.116 58.002 58.000 -0.191 0.000 1.188 494 F CB 0.404 39.293 39.000 -0.185 0.000 0.980 494 F HN -0.247 nan 8.300 nan 0.000 0.627 495 L N 0.186 121.366 121.223 -0.072 0.000 2.307 495 L HA 0.131 4.471 4.340 -0.000 0.000 0.211 495 L C 0.319 177.063 176.870 -0.210 0.000 1.099 495 L CA 0.414 55.212 54.840 -0.071 0.000 0.816 495 L CB -0.390 41.762 42.059 0.156 0.000 0.952 495 L HN 0.015 nan 8.230 nan 0.000 0.455 496 Q N 1.225 120.843 119.800 -0.303 0.000 2.295 496 Q HA 0.196 4.536 4.340 -0.000 0.000 0.259 496 Q C -0.465 175.331 176.000 -0.341 0.000 0.976 496 Q CA 0.233 55.815 55.803 -0.368 0.000 0.923 496 Q CB 1.171 29.706 28.738 -0.338 0.000 1.185 496 Q HN 0.096 nan 8.270 nan 0.000 0.410 497 Q N 2.589 122.208 119.800 -0.302 0.000 2.320 497 Q HA 0.199 4.539 4.340 -0.000 0.000 0.268 497 Q C -1.200 174.640 176.000 -0.267 0.000 1.023 497 Q CA -0.648 54.959 55.803 -0.328 0.000 0.744 497 Q CB 1.021 29.562 28.738 -0.327 0.000 1.246 497 Q HN 0.442 nan 8.270 nan 0.000 0.462 498 N N 2.606 121.149 118.700 -0.262 0.000 2.431 498 N HA 0.128 4.867 4.740 -0.000 0.000 0.265 498 N C 0.041 175.428 175.510 -0.205 0.000 1.184 498 N CA 0.440 53.379 53.050 -0.185 0.000 0.943 498 N CB 1.521 39.996 38.487 -0.020 0.000 1.080 498 N HN 0.743 nan 8.380 nan 0.000 0.477 499 A N 4.301 126.899 122.820 -0.372 0.000 1.975 499 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 499 A C 0.985 178.443 177.584 -0.210 0.000 1.170 499 A CA 0.766 52.597 52.037 -0.344 0.000 0.656 499 A CB -0.485 18.242 19.000 -0.455 0.000 0.821 499 A HN 0.799 nan 8.150 nan 0.000 0.449 500 Y N -0.962 119.336 120.300 -0.003 0.000 2.471 500 Y HA 0.129 4.679 4.550 -0.000 0.000 0.286 500 Y C 1.076 177.010 175.900 0.057 0.000 1.188 500 Y CA -0.233 57.876 58.100 0.015 0.000 1.286 500 Y CB -0.309 38.139 38.460 -0.021 0.000 1.072 500 Y HN 0.351 nan 8.280 nan 0.000 0.517 501 H N 2.033 121.145 119.070 0.070 0.000 2.548 501 H HA 0.030 4.585 4.556 -0.000 0.000 0.331 501 H C 0.741 176.104 175.328 0.057 0.000 1.093 501 H CA 0.100 56.195 56.048 0.078 0.000 1.367 501 H CB 1.150 30.982 29.762 0.116 0.000 1.455 501 H HN 0.372 nan 8.280 nan 0.000 0.519 502 E N 2.703 122.598 120.200 -0.509 0.000 2.265 502 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 502 E C 0.873 177.392 176.600 -0.134 0.000 0.996 502 E CA 0.847 57.097 56.400 -0.251 0.000 0.832 502 E CB 0.540 30.091 29.700 -0.248 0.000 0.756 502 E HN 0.488 nan 8.360 nan 0.000 0.491 503 V N -0.460 119.413 119.914 -0.067 0.000 2.870 503 V HA -0.066 4.054 4.120 -0.000 0.000 0.232 503 V C 1.698 177.824 176.094 0.054 0.000 1.161 503 V CA 0.925 63.285 62.300 0.101 0.000 1.204 503 V CB -0.335 31.604 31.823 0.193 0.000 1.003 503 V HN 0.113 nan 8.190 nan 0.000 0.499 504 D N 1.002 121.538 120.400 0.227 0.000 2.354 504 D HA -0.107 4.533 4.640 -0.000 0.000 0.216 504 D C 1.945 178.089 176.300 -0.259 0.000 0.970 504 D CA 1.127 55.007 54.000 -0.201 0.000 0.905 504 D CB 0.035 40.540 40.800 -0.492 0.000 0.903 504 D HN 0.380 nan 8.370 nan 0.000 0.508 505 A N -0.845 121.864 122.820 -0.185 0.000 2.032 505 A HA -0.107 4.212 4.320 -0.000 0.000 0.221 505 A C 0.832 177.982 177.584 -0.724 0.000 1.165 505 A CA 1.170 52.999 52.037 -0.347 0.000 0.645 505 A CB -0.414 18.470 19.000 -0.193 0.000 0.807 505 A HN 0.484 nan 8.150 nan 0.000 0.453 506 Y N -1.475 118.280 120.300 -0.908 0.000 2.553 506 Y HA 0.567 5.117 4.550 -0.000 0.000 0.347 506 Y C -0.591 174.984 175.900 -0.542 0.000 1.019 506 Y CA -0.612 56.936 58.100 -0.919 0.000 1.032 506 Y CB 1.595 39.227 38.460 -1.379 0.000 1.284 506 Y HN -0.022 nan 8.280 nan 0.000 0.466 507 S N 3.172 118.106 115.700 -1.278 0.000 2.566 507 S HA 0.607 5.077 4.470 -0.000 0.000 0.273 507 S C -1.310 172.611 174.600 -1.132 0.000 1.157 507 S CA -0.335 57.238 58.200 -1.045 0.000 0.938 507 S CB 0.649 63.437 63.200 -0.687 0.000 1.087 507 S HN 1.048 nan 8.310 nan 0.000 0.474 508 S N 4.743 119.957 115.700 -0.811 0.000 2.713 508 S HA 0.470 4.940 4.470 -0.000 0.000 0.283 508 S C 1.519 175.996 174.600 -0.205 0.000 1.161 508 S CA -0.821 57.139 58.200 -0.400 0.000 0.999 508 S CB 0.567 63.702 63.200 -0.108 0.000 1.039 508 S HN 0.647 nan 8.310 nan 0.000 0.548 509 M N 0.945 120.516 119.600 -0.048 0.000 2.149 509 M HA -0.069 4.411 4.480 -0.000 0.000 0.261 509 M C 2.025 178.363 176.300 0.064 0.000 1.064 509 M CA 1.736 57.064 55.300 0.047 0.000 1.102 509 M CB -1.743 30.925 32.600 0.114 0.000 1.369 509 M HN 0.937 nan 8.290 nan 0.000 0.408 510 K N 0.483 120.888 120.400 0.007 0.000 2.026 510 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 510 K C 2.200 178.801 176.600 0.003 0.000 1.048 510 K CA 1.555 57.849 56.287 0.013 0.000 0.929 510 K CB -0.076 32.425 32.500 0.001 0.000 0.713 510 K HN 0.243 nan 8.250 nan 0.000 0.439 511 K N 0.032 120.316 120.400 -0.194 0.000 2.057 511 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 511 K C 1.972 178.351 176.600 -0.370 0.000 1.050 511 K CA 1.091 57.010 56.287 -0.614 0.000 0.935 511 K CB -0.164 31.801 32.500 -0.891 0.000 0.715 511 K HN 0.245 nan 8.250 nan 0.000 0.439 512 A N 0.244 122.955 122.820 -0.183 0.000 2.019 512 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 512 A C 1.974 179.672 177.584 0.190 0.000 1.164 512 A CA 1.276 53.334 52.037 0.037 0.000 0.644 512 A CB -0.730 18.284 19.000 0.023 0.000 0.805 512 A HN 0.605 nan 8.150 nan 0.000 0.449 513 Y N 0.528 120.838 120.300 0.017 0.000 2.220 513 Y HA 0.040 4.590 4.550 -0.000 0.000 0.291 513 Y C 2.395 178.254 175.900 -0.068 0.000 1.129 513 Y CA 1.342 59.435 58.100 -0.012 0.000 1.161 513 Y CB -0.697 37.761 38.460 -0.004 0.000 0.997 513 Y HN 0.224 nan 8.280 nan 0.000 0.522 514 G N 0.925 109.696 108.800 -0.048 0.000 2.433 514 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 514 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 514 G C 1.688 176.764 174.900 0.293 0.000 1.186 514 G CA 1.434 46.416 45.100 -0.198 0.000 0.779 514 G HN 0.486 nan 8.290 nan 0.000 0.543 515 I N -0.024 120.748 120.570 0.337 0.000 2.361 515 I HA -0.167 4.002 4.170 -0.000 0.000 0.251 515 I C 2.789 178.980 176.117 0.124 0.000 1.133 515 I CA 1.018 62.502 61.300 0.307 0.000 1.413 515 I CB -0.262 37.904 38.000 0.276 0.000 1.073 515 I HN 0.205 nan 8.210 nan 0.000 0.424 516 M N 0.822 120.393 119.600 -0.049 0.000 2.064 516 M HA -0.219 4.261 4.480 -0.000 0.000 0.260 516 M C 2.393 178.571 176.300 -0.204 0.000 1.073 516 M CA 1.915 57.022 55.300 -0.321 0.000 1.124 516 M CB -0.263 32.074 32.600 -0.438 0.000 1.326 516 M HN -0.060 nan 8.290 nan 0.000 0.410 517 K N -0.345 119.936 120.400 -0.199 0.000 2.113 517 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 517 K C 1.837 178.479 176.600 0.069 0.000 1.047 517 K CA 1.841 58.066 56.287 -0.104 0.000 0.928 517 K CB -0.112 32.324 32.500 -0.107 0.000 0.716 517 K HN 0.346 nan 8.250 nan 0.000 0.446 518 M N 0.307 120.017 119.600 0.183 0.000 2.086 518 M HA -0.195 4.284 4.480 -0.000 0.000 0.261 518 M C 2.092 178.460 176.300 0.113 0.000 1.067 518 M CA 1.619 57.001 55.300 0.137 0.000 1.116 518 M CB -0.340 32.373 32.600 0.189 0.000 1.348 518 M HN 0.132 nan 8.290 nan 0.000 0.407 519 I N 0.205 120.804 120.570 0.049 0.000 2.118 519 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 519 I C 2.265 178.454 176.117 0.119 0.000 1.070 519 I CA 1.528 62.839 61.300 0.018 0.000 1.327 519 I CB -0.506 37.425 38.000 -0.115 0.000 1.034 519 I HN 0.285 nan 8.210 nan 0.000 0.405 520 L N 0.213 121.464 121.223 0.046 0.000 2.141 520 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 520 L C 2.793 179.738 176.870 0.126 0.000 1.094 520 L CA 0.993 55.895 54.840 0.103 0.000 0.763 520 L CB -0.630 41.427 42.059 -0.002 0.000 0.908 520 L HN 0.248 nan 8.230 nan 0.000 0.437 521 A N 0.271 123.139 122.820 0.080 0.000 1.845 521 A HA -0.284 4.036 4.320 -0.000 0.000 0.215 521 A C 2.203 179.808 177.584 0.036 0.000 1.195 521 A CA 1.672 53.728 52.037 0.031 0.000 0.616 521 A CB -0.982 18.028 19.000 0.016 0.000 0.832 521 A HN 0.415 nan 8.150 nan 0.000 0.443 522 F N -0.841 119.112 119.950 0.005 0.000 2.120 522 F HA -0.274 4.252 4.527 -0.000 0.000 0.300 522 F C 2.161 177.952 175.800 -0.016 0.000 1.095 522 F CA 2.308 60.347 58.000 0.064 0.000 1.249 522 F CB -0.418 38.678 39.000 0.160 0.000 0.995 522 F HN 0.386 nan 8.300 nan 0.000 0.480 523 Y N 1.645 122.080 120.300 0.225 0.000 2.070 523 Y HA -0.239 4.311 4.550 -0.000 0.000 0.280 523 Y C 2.301 178.106 175.900 -0.158 0.000 1.148 523 Y CA 2.237 60.389 58.100 0.086 0.000 1.125 523 Y CB -0.804 37.700 38.460 0.073 0.000 0.975 523 Y HN 0.025 nan 8.280 nan 0.000 0.492 524 K N -0.142 120.067 120.400 -0.318 0.000 2.439 524 K HA -0.095 4.225 4.320 -0.000 0.000 0.197 524 K C 1.656 177.956 176.600 -0.500 0.000 1.041 524 K CA 0.847 56.867 56.287 -0.446 0.000 0.970 524 K CB 0.070 32.428 32.500 -0.236 0.000 0.773 524 K HN 0.400 nan 8.250 nan 0.000 0.479 525 E N -0.040 119.745 120.200 -0.692 0.000 2.250 525 E HA -0.012 4.338 4.350 -0.000 0.000 0.192 525 E C 1.781 177.572 176.600 -1.347 0.000 0.986 525 E CA 0.426 56.187 56.400 -1.064 0.000 0.849 525 E CB 0.278 29.098 29.700 -1.466 0.000 0.797 525 E HN 0.245 nan 8.360 nan 0.000 0.482 526 A N 1.262 123.409 122.820 -1.122 0.000 1.930 526 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 526 A C 2.052 179.414 177.584 -0.369 0.000 1.176 526 A CA 0.977 52.685 52.037 -0.547 0.000 0.632 526 A CB -0.268 18.523 19.000 -0.348 0.000 0.819 526 A HN 0.137 nan 8.150 nan 0.000 0.445 527 E N -0.218 119.694 120.200 -0.481 0.000 2.118 527 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 527 E C 1.933 178.370 176.600 -0.272 0.000 0.992 527 E CA 1.046 57.204 56.400 -0.404 0.000 0.804 527 E CB -0.142 29.226 29.700 -0.553 0.000 0.741 527 E HN 0.574 nan 8.360 nan 0.000 0.458 528 A N -0.003 122.643 122.820 -0.291 0.000 2.218 528 A HA 0.243 4.562 4.320 -0.000 0.000 0.209 528 A C 1.936 179.428 177.584 -0.153 0.000 1.168 528 A CA 0.920 52.835 52.037 -0.204 0.000 0.804 528 A CB 0.056 18.932 19.000 -0.207 0.000 0.834 528 A HN 0.308 nan 8.150 nan 0.000 0.482 529 A N 0.709 123.433 122.820 -0.159 0.000 1.887 529 A HA 0.152 4.472 4.320 -0.000 0.000 0.212 529 A C 1.964 179.529 177.584 -0.033 0.000 1.198 529 A CA 1.133 53.139 52.037 -0.052 0.000 0.628 529 A CB -0.644 18.392 19.000 0.060 0.000 0.847 529 A HN 0.830 nan 8.150 nan 0.000 0.449 530 I N -1.250 119.292 120.570 -0.046 0.000 2.286 530 I HA -0.081 4.089 4.170 -0.000 0.000 0.248 530 I C 1.915 178.012 176.117 -0.035 0.000 1.115 530 I CA 2.264 63.547 61.300 -0.029 0.000 1.392 530 I CB -0.461 37.524 38.000 -0.024 0.000 1.065 530 I HN 0.186 nan 8.210 nan 0.000 0.418 531 K N 0.880 121.247 120.400 -0.055 0.000 2.442 531 K HA -0.057 4.263 4.320 -0.000 0.000 0.198 531 K C 2.032 178.608 176.600 -0.041 0.000 1.042 531 K CA 0.857 57.113 56.287 -0.051 0.000 0.958 531 K CB -0.028 32.430 32.500 -0.070 0.000 0.766 531 K HN 0.371 nan 8.250 nan 0.000 0.474 532 R N -1.244 119.234 120.500 -0.037 0.000 2.508 532 R HA 0.083 4.423 4.340 -0.000 0.000 0.300 532 R C 0.049 176.338 176.300 -0.018 0.000 0.970 532 R CA 0.623 56.706 56.100 -0.029 0.000 1.102 532 R CB 0.860 31.141 30.300 -0.032 0.000 1.246 532 R HN 0.326 nan 8.270 nan 0.000 0.539 533 G N 0.923 109.714 108.800 -0.015 0.000 2.132 533 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.228 533 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.228 533 G C -0.212 174.685 174.900 -0.005 0.000 1.000 533 G CA 0.131 45.225 45.100 -0.010 0.000 0.693 533 G HN 0.129 nan 8.290 nan 0.000 0.515 534 V N 0.468 120.381 119.914 -0.002 0.000 2.567 534 V HA 0.668 4.788 4.120 -0.000 0.000 0.289 534 V C 1.232 177.331 176.094 0.007 0.000 1.049 534 V CA 0.085 62.387 62.300 0.004 0.000 0.969 534 V CB 1.772 33.606 31.823 0.018 0.000 0.995 534 V HN 0.484 nan 8.190 nan 0.000 0.471 535 S N 3.082 118.785 115.700 0.005 0.000 2.498 535 S HA 0.214 4.683 4.470 -0.000 0.000 0.281 535 S C 1.279 175.890 174.600 0.019 0.000 1.265 535 S CA -0.504 57.702 58.200 0.009 0.000 1.071 535 S CB -0.108 63.094 63.200 0.003 0.000 0.894 535 S HN 0.514 nan 8.310 nan 0.000 0.491 536 I N 3.519 124.106 120.570 0.028 0.000 2.423 536 I HA -0.162 4.007 4.170 -0.000 0.000 0.254 536 I C 1.464 177.613 176.117 0.053 0.000 1.151 536 I CA 0.911 62.239 61.300 0.047 0.000 1.421 536 I CB -0.327 37.704 38.000 0.051 0.000 1.079 536 I HN 0.536 nan 8.210 nan 0.000 0.431 537 D N 0.749 121.171 120.400 0.036 0.000 2.162 537 D HA -0.170 4.470 4.640 -0.000 0.000 0.203 537 D C 1.991 178.304 176.300 0.023 0.000 0.967 537 D CA 0.923 54.943 54.000 0.033 0.000 0.840 537 D CB -0.218 40.597 40.800 0.024 0.000 0.972 537 D HN 0.468 nan 8.370 nan 0.000 0.482 538 E N 0.612 120.817 120.200 0.008 0.000 2.107 538 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 538 E C 2.239 178.819 176.600 -0.033 0.000 0.982 538 E CA 0.350 56.741 56.400 -0.015 0.000 0.809 538 E CB -0.006 29.680 29.700 -0.023 0.000 0.756 538 E HN 0.172 nan 8.360 nan 0.000 0.459 539 I N 0.898 121.460 120.570 -0.014 0.000 2.118 539 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 539 I C 2.156 178.310 176.117 0.062 0.000 1.070 539 I CA 1.094 62.383 61.300 -0.018 0.000 1.327 539 I CB -0.169 37.874 38.000 0.072 0.000 1.034 539 I HN 0.195 nan 8.210 nan 0.000 0.405 540 L N 0.117 121.399 121.223 0.098 0.000 2.675 540 L HA -0.129 4.211 4.340 -0.000 0.000 0.238 540 L C 1.966 178.876 176.870 0.067 0.000 1.155 540 L CA 0.659 55.571 54.840 0.119 0.000 0.881 540 L CB -0.329 41.790 42.059 0.100 0.000 1.008 540 L HN 0.338 nan 8.230 nan 0.000 0.443 541 Q N -0.897 118.921 119.800 0.031 0.000 2.352 541 Q HA 0.183 4.523 4.340 -0.000 0.000 0.212 541 Q C 0.311 176.308 176.000 -0.006 0.000 0.888 541 Q CA -0.238 55.570 55.803 0.008 0.000 0.934 541 Q CB 0.598 29.331 28.738 -0.008 0.000 1.093 541 Q HN 0.415 nan 8.270 nan 0.000 0.523 542 L N 2.921 124.135 121.223 -0.015 0.000 2.584 542 L HA -0.001 4.338 4.340 -0.000 0.000 0.272 542 L C -1.636 175.233 176.870 -0.002 0.000 1.195 542 L CA -0.986 53.825 54.840 -0.049 0.000 0.920 542 L CB 0.339 42.320 42.059 -0.129 0.000 1.173 542 L HN -0.047 nan 8.230 nan 0.000 0.489 543 P HA -0.107 nan 4.420 nan 0.000 0.236 543 P C 1.150 178.454 177.300 0.005 0.000 1.172 543 P CA 0.458 63.555 63.100 -0.006 0.000 0.759 543 P CB 0.248 31.937 31.700 -0.017 0.000 0.843 544 V N -1.029 118.894 119.914 0.016 0.000 3.649 544 V HA 0.045 4.165 4.120 -0.000 0.000 0.275 544 V C 1.647 177.780 176.094 0.066 0.000 1.281 544 V CA 0.483 62.806 62.300 0.038 0.000 1.143 544 V CB -0.864 30.983 31.823 0.041 0.000 0.892 544 V HN 0.019 nan 8.190 nan 0.000 0.441 545 L N -0.202 121.052 121.223 0.051 0.000 2.201 545 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 545 L C 2.351 179.212 176.870 -0.015 0.000 1.105 545 L CA 1.454 56.273 54.840 -0.035 0.000 0.775 545 L CB -0.131 41.909 42.059 -0.031 0.000 0.913 545 L HN 0.333 nan 8.230 nan 0.000 0.440 546 E N -0.624 119.590 120.200 0.024 0.000 2.299 546 E HA -0.120 4.229 4.350 -0.000 0.000 0.193 546 E C 2.071 178.731 176.600 0.101 0.000 0.998 546 E CA 0.275 56.706 56.400 0.050 0.000 0.851 546 E CB 0.181 29.908 29.700 0.044 0.000 0.795 546 E HN 0.048 nan 8.360 nan 0.000 0.492 547 R N 0.112 120.669 120.500 0.095 0.000 2.092 547 R HA 0.064 4.404 4.340 -0.000 0.000 0.231 547 R C 1.847 178.299 176.300 0.254 0.000 1.119 547 R CA 0.957 57.150 56.100 0.156 0.000 0.970 547 R CB -0.315 29.978 30.300 -0.012 0.000 0.864 547 R HN 0.232 nan 8.270 nan 0.000 0.440 548 I N -0.910 119.741 120.570 0.134 0.000 2.090 548 I HA -0.173 3.997 4.170 -0.000 0.000 0.236 548 I C 2.264 178.443 176.117 0.103 0.000 1.064 548 I CA 1.630 62.999 61.300 0.115 0.000 1.324 548 I CB -1.151 36.840 38.000 -0.014 0.000 1.044 548 I HN 0.343 nan 8.210 nan 0.000 0.399 549 G N 1.425 110.258 108.800 0.054 0.000 2.624 549 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.221 549 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.221 549 G C 1.490 176.447 174.900 0.094 0.000 1.169 549 G CA 0.797 45.926 45.100 0.049 0.000 0.771 549 G HN 0.210 nan 8.290 nan 0.000 0.598 550 R N 0.808 121.397 120.500 0.149 0.000 2.555 550 R HA 0.468 4.808 4.340 -0.000 0.000 0.272 550 R C 1.932 178.286 176.300 0.091 0.000 1.089 550 R CA 0.355 56.571 56.100 0.193 0.000 1.126 550 R CB -0.460 29.945 30.300 0.174 0.000 1.250 550 R HN 0.377 nan 8.270 nan 0.000 0.551 551 A N 1.279 124.132 122.820 0.055 0.000 1.878 551 A HA -0.126 4.194 4.320 -0.000 0.000 0.213 551 A C 2.003 179.522 177.584 -0.107 0.000 1.192 551 A CA 0.640 52.660 52.037 -0.029 0.000 0.619 551 A CB -0.197 18.972 19.000 0.281 0.000 0.837 551 A HN 0.349 nan 8.150 nan 0.000 0.446 552 R N -1.480 118.891 120.500 -0.214 0.000 2.303 552 R HA -0.128 4.212 4.340 -0.000 0.000 0.225 552 R C 0.789 176.803 176.300 -0.477 0.000 1.114 552 R CA 1.709 57.557 56.100 -0.420 0.000 1.007 552 R CB -0.583 29.377 30.300 -0.568 0.000 0.861 552 R HN 0.608 nan 8.270 nan 0.000 0.471 553 Y N 0.411 120.603 120.300 -0.180 0.000 2.458 553 Y HA 0.236 4.786 4.550 -0.000 0.000 0.256 553 Y C 0.393 176.264 175.900 -0.047 0.000 1.159 553 Y CA -0.668 57.350 58.100 -0.136 0.000 1.261 553 Y CB 1.169 39.523 38.460 -0.176 0.000 1.119 553 Y HN -0.162 nan 8.280 nan 0.000 0.524 554 V N 0.933 120.839 119.914 -0.013 0.000 2.432 554 V HA 0.092 4.212 4.120 -0.000 0.000 0.275 554 V C 0.536 176.639 176.094 0.015 0.000 1.043 554 V CA -1.142 61.131 62.300 -0.044 0.000 0.925 554 V CB 1.243 32.900 31.823 -0.276 0.000 0.985 554 V HN 0.295 nan 8.190 nan 0.000 0.466 555 S N 3.151 118.880 115.700 0.048 0.000 2.930 555 S HA -0.179 4.291 4.470 -0.000 0.000 0.351 555 S C 1.274 175.921 174.600 0.078 0.000 1.210 555 S CA 0.831 59.066 58.200 0.059 0.000 0.993 555 S CB 0.264 63.504 63.200 0.067 0.000 0.682 555 S HN 0.934 nan 8.310 nan 0.000 0.484 556 E N 2.770 123.006 120.200 0.059 0.000 2.150 556 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 556 E C 1.655 178.331 176.600 0.126 0.000 0.985 556 E CA 1.860 58.296 56.400 0.060 0.000 0.814 556 E CB -0.019 29.723 29.700 0.070 0.000 0.752 556 E HN 0.832 nan 8.360 nan 0.000 0.466 557 E N 0.251 120.518 120.200 0.113 0.000 2.112 557 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 557 E C 1.360 178.043 176.600 0.138 0.000 0.979 557 E CA 0.985 57.452 56.400 0.113 0.000 0.814 557 E CB 0.023 29.772 29.700 0.081 0.000 0.762 557 E HN 0.331 nan 8.360 nan 0.000 0.460 558 E N -0.474 119.813 120.200 0.145 0.000 2.502 558 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 558 E C 0.992 177.722 176.600 0.216 0.000 1.062 558 E CA -0.105 56.387 56.400 0.153 0.000 0.867 558 E CB -0.011 29.764 29.700 0.125 0.000 0.888 558 E HN 0.212 nan 8.360 nan 0.000 0.510 559 F N 2.046 122.052 119.950 0.093 0.000 2.187 559 F HA 0.041 4.567 4.527 -0.000 0.000 0.295 559 F C -1.082 174.853 175.800 0.224 0.000 1.091 559 F CA 0.331 58.411 58.000 0.133 0.000 1.308 559 F CB -0.657 38.374 39.000 0.051 0.000 1.030 559 F HN -0.035 nan 8.300 nan 0.000 0.487 560 P HA -0.248 nan 4.420 nan 0.000 0.216 560 P C 1.415 178.772 177.300 0.095 0.000 1.154 560 P CA 2.643 65.828 63.100 0.142 0.000 0.865 560 P CB -0.328 31.464 31.700 0.154 0.000 0.789 561 A N -2.132 120.737 122.820 0.083 0.000 1.929 561 A HA -0.180 4.139 4.320 -0.000 0.000 0.216 561 A C 2.255 179.848 177.584 0.014 0.000 1.176 561 A CA 1.085 53.153 52.037 0.052 0.000 0.628 561 A CB -1.768 17.269 19.000 0.062 0.000 0.816 561 A HN 0.146 nan 8.150 nan 0.000 0.444 562 Y N -1.011 119.222 120.300 -0.112 0.000 2.224 562 Y HA -0.209 4.340 4.550 -0.000 0.000 0.289 562 Y C 1.999 177.752 175.900 -0.244 0.000 1.146 562 Y CA 2.096 60.099 58.100 -0.161 0.000 1.182 562 Y CB -0.336 38.037 38.460 -0.145 0.000 0.983 562 Y HN 0.384 nan 8.280 nan 0.000 0.524 563 F N 0.804 120.514 119.950 -0.401 0.000 2.084 563 F HA -0.177 4.350 4.527 -0.000 0.000 0.296 563 F C 2.573 178.263 175.800 -0.183 0.000 1.111 563 F CA 2.059 59.836 58.000 -0.373 0.000 1.224 563 F CB -0.502 38.224 39.000 -0.457 0.000 0.991 563 F HN 0.094 nan 8.300 nan 0.000 0.471 564 E N 0.297 120.411 120.200 -0.143 0.000 2.085 564 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 564 E C 2.092 178.558 176.600 -0.223 0.000 0.994 564 E CA 1.724 58.018 56.400 -0.176 0.000 0.801 564 E CB -0.287 29.403 29.700 -0.017 0.000 0.743 564 E HN 0.675 nan 8.360 nan 0.000 0.453 565 E N -0.414 119.661 120.200 -0.208 0.000 2.076 565 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 565 E C 1.964 178.409 176.600 -0.259 0.000 0.979 565 E CA 0.801 57.077 56.400 -0.207 0.000 0.807 565 E CB -0.080 29.505 29.700 -0.191 0.000 0.761 565 E HN 0.314 nan 8.360 nan 0.000 0.454 566 A N 0.666 123.276 122.820 -0.350 0.000 1.933 566 A HA -0.195 4.124 4.320 -0.000 0.000 0.218 566 A C 2.088 179.519 177.584 -0.255 0.000 1.175 566 A CA 1.539 53.388 52.037 -0.313 0.000 0.628 566 A CB -0.483 18.311 19.000 -0.342 0.000 0.814 566 A HN 0.331 nan 8.150 nan 0.000 0.444 567 M N -0.311 119.055 119.600 -0.390 0.000 2.149 567 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 567 M C 1.786 177.961 176.300 -0.209 0.000 1.064 567 M CA 1.785 56.861 55.300 -0.374 0.000 1.102 567 M CB -0.308 31.911 32.600 -0.636 0.000 1.369 567 M HN 0.343 nan 8.290 nan 0.000 0.408 568 K N -0.930 119.355 120.400 -0.191 0.000 2.296 568 K HA -0.119 4.201 4.320 -0.000 0.000 0.200 568 K C 1.848 178.397 176.600 -0.086 0.000 1.048 568 K CA 1.113 57.328 56.287 -0.120 0.000 0.966 568 K CB -0.014 32.419 32.500 -0.111 0.000 0.754 568 K HN 0.472 nan 8.250 nan 0.000 0.466 569 E N 0.568 120.710 120.200 -0.097 0.000 2.318 569 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 569 E C 1.603 178.200 176.600 -0.006 0.000 0.998 569 E CA 0.249 56.611 56.400 -0.063 0.000 0.859 569 E CB 0.225 29.871 29.700 -0.090 0.000 0.812 569 E HN 0.222 nan 8.360 nan 0.000 0.492 570 I N 1.182 121.765 120.570 0.022 0.000 2.315 570 I HA -0.263 3.906 4.170 -0.000 0.000 0.248 570 I C 2.284 178.501 176.117 0.167 0.000 1.117 570 I CA 0.635 62.022 61.300 0.145 0.000 1.404 570 I CB -0.103 37.976 38.000 0.131 0.000 1.071 570 I HN 0.164 nan 8.210 nan 0.000 0.419 571 Q N 0.574 120.405 119.800 0.052 0.000 1.965 571 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 571 Q C 2.389 178.420 176.000 0.051 0.000 0.981 571 Q CA 1.944 57.768 55.803 0.035 0.000 0.834 571 Q CB -1.190 27.539 28.738 -0.014 0.000 0.900 571 Q HN 0.521 nan 8.270 nan 0.000 0.426 572 G N 0.892 109.700 108.800 0.013 0.000 2.422 572 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 572 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 572 G C 1.555 176.449 174.900 -0.011 0.000 1.146 572 G CA 1.262 46.360 45.100 -0.004 0.000 0.769 572 G HN 0.456 nan 8.290 nan 0.000 0.547 573 A N -0.298 122.509 122.820 -0.021 0.000 1.968 573 A HA 0.311 4.631 4.320 -0.000 0.000 0.217 573 A C 2.100 179.586 177.584 -0.163 0.000 1.169 573 A CA 0.802 52.779 52.037 -0.099 0.000 0.638 573 A CB -0.324 18.595 19.000 -0.135 0.000 0.812 573 A HN 0.330 nan 8.150 nan 0.000 0.446 574 F N -0.538 119.367 119.950 -0.075 0.000 2.387 574 F HA 0.052 4.579 4.527 -0.000 0.000 0.294 574 F C 2.198 177.950 175.800 -0.081 0.000 1.093 574 F CA 1.361 59.302 58.000 -0.098 0.000 1.420 574 F CB 0.221 39.139 39.000 -0.136 0.000 1.086 574 F HN 0.100 nan 8.300 nan 0.000 0.531 575 K N 0.968 121.435 120.400 0.112 0.000 2.211 575 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 575 K C 1.954 178.562 176.600 0.013 0.000 1.050 575 K CA 1.224 57.536 56.287 0.043 0.000 0.945 575 K CB -0.364 32.147 32.500 0.018 0.000 0.732 575 K HN 0.136 nan 8.250 nan 0.000 0.451 576 A N 0.433 123.250 122.820 -0.006 0.000 1.969 576 A HA 0.026 4.345 4.320 -0.000 0.000 0.218 576 A C 0.863 178.428 177.584 -0.031 0.000 1.169 576 A CA 0.721 52.742 52.037 -0.027 0.000 0.635 576 A CB -0.441 18.531 19.000 -0.045 0.000 0.810 576 A HN 0.254 nan 8.150 nan 0.000 0.445 577 L N 1.381 122.583 121.223 -0.036 0.000 2.382 577 L HA 0.307 4.647 4.340 -0.000 0.000 0.259 577 L C 0.951 177.819 176.870 -0.003 0.000 1.291 577 L CA -0.606 54.214 54.840 -0.033 0.000 1.176 577 L CB -0.648 41.374 42.059 -0.061 0.000 1.373 577 L HN 0.374 nan 8.230 nan 0.000 0.426 578 A N 0.000 122.814 122.820 -0.009 0.000 2.254 578 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 578 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 578 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 578 A HN 0.000 nan 8.150 nan 0.000 0.486