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 2dy1_1_A DATA FIRST_RESID 6 DATA SEQUENCE GAMIRTVALV GHAGSGKTTL TEALLYKTGA KERRGRVEEG TTTTDYTPEA DATA SEQUENCE KLHRTTVRTG VAPLLFRGHR VFLLDAPGYG DFVGEIRGAL EAADAALVAV DATA SEQUENCE SAEAGVQVGT ERAWTVAERL GLPRMVVVTK LDKGGDYYAL LEDLRSTLGP DATA SEQUENCE ILPIDLPLYE GGKWVGLIDV FHGKAYRYEN GEEREAEVPP EERERVQRFR DATA SEQUENCE QEVLEAIVET DEGLLEKYLE GEEVTGEALE KAFHEAVRRG LLYPVALASG DATA SEQUENCE EREIGVLPLL ELILEALPSP TERFGDGPPL AKVFKVQVDP FMGQVAYLRL DATA SEQUENCE YRGRLKPGDS LQSEAGQVRL PHLYVPMGKD LLEVEEAEAG FVLGVPKAEG DATA SEQUENCE LHRGMVLWQG EKPESEEVPF ARLPDPNVPV ALHPKGRTDE ARLGEALRKL DATA SEQUENCE LEEDPSLKLE RQEETGELLL WGHGELHLAT AKERLQDYGV EVEFSVPKVP DATA SEQUENCE YRETIKKVAE GQGKYKKQTG GHGQYGDVWL RLEPASEYGF EWRITGGVIP DATA SEQUENCE SKYQEAIEEG IKEAAKKGVL AGFPVMGFKA IVYNGSYHEV DSSDLAFQIA DATA SEQUENCE ASLAFKKVMA EAHPVLLEPI YRLKVLAPQE RVGDVLSDLQ ARRGRILGME DATA SEQUENCE QEGALSVVHA EVPLAEVLEY YKALPGLTGG AGAYTLEFSH YAEVPPHLAQ DATA SEQUENCE RIVQERAQEG 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.986 3.960 0.043 0.000 0.244 6 G C 0.000 175.009 174.900 0.182 0.000 0.946 6 G CA 0.000 45.236 45.100 0.227 0.000 0.502 7 A N 0.770 123.672 122.820 0.136 0.000 2.887 7 A HA -0.185 4.161 4.320 0.043 0.000 0.257 7 A C 0.929 178.649 177.584 0.226 0.000 1.372 7 A CA 1.850 53.974 52.037 0.145 0.000 0.879 7 A CB -2.369 16.689 19.000 0.097 0.000 1.082 7 A HN 1.220 nan 8.150 nan 0.000 0.703 8 M N -0.644 119.166 119.600 0.350 0.000 2.242 8 M HA 0.572 5.078 4.480 0.043 0.000 0.344 8 M C 0.291 176.733 176.300 0.236 0.000 1.140 8 M CA 0.659 56.096 55.300 0.229 0.000 1.160 8 M CB 0.565 33.223 32.600 0.097 0.000 1.491 8 M HN 0.369 nan 8.290 nan 0.000 0.459 9 I N 2.163 122.858 120.570 0.208 0.000 2.647 9 I HA 0.539 4.735 4.170 0.043 0.000 0.295 9 I C -0.531 175.709 176.117 0.205 0.000 1.078 9 I CA -1.025 60.422 61.300 0.244 0.000 1.048 9 I CB 2.006 40.204 38.000 0.330 0.000 1.239 9 I HN 0.604 nan 8.210 nan 0.000 0.421 10 R N 2.876 123.498 120.500 0.202 0.000 2.725 10 R HA 0.615 4.981 4.340 0.043 0.000 0.277 10 R C -1.318 175.099 176.300 0.196 0.000 0.987 10 R CA -0.856 55.342 56.100 0.162 0.000 0.901 10 R CB 2.286 32.649 30.300 0.105 0.000 1.207 10 R HN 0.514 nan 8.270 nan 0.000 0.463 11 T N 1.162 115.807 114.554 0.153 0.000 2.786 11 T HA 0.544 4.919 4.350 0.043 0.000 0.283 11 T C -0.480 174.260 174.700 0.066 0.000 0.992 11 T CA -0.566 61.612 62.100 0.130 0.000 0.954 11 T CB 1.584 70.497 68.868 0.075 0.000 0.934 11 T HN 0.179 nan 8.240 nan 0.000 0.440 12 V N 2.109 122.051 119.914 0.046 0.000 2.686 12 V HA 0.786 4.932 4.120 0.043 0.000 0.306 12 V C -0.219 175.869 176.094 -0.010 0.000 1.065 12 V CA -1.142 61.164 62.300 0.011 0.000 0.894 12 V CB 1.924 33.755 31.823 0.013 0.000 1.004 12 V HN 1.066 nan 8.190 nan 0.000 0.424 13 A N 4.402 127.203 122.820 -0.032 0.000 2.274 13 A HA 0.807 5.153 4.320 0.043 0.000 0.309 13 A C -0.867 176.704 177.584 -0.023 0.000 1.226 13 A CA -0.396 51.618 52.037 -0.038 0.000 0.853 13 A CB 0.847 19.812 19.000 -0.058 0.000 1.146 13 A HN 0.890 nan 8.150 nan 0.000 0.518 14 L N 5.042 126.259 121.223 -0.011 0.000 2.262 14 L HA 0.644 5.010 4.340 0.043 0.000 0.288 14 L C -0.179 176.690 176.870 -0.002 0.000 1.035 14 L CA -0.120 54.718 54.840 -0.002 0.000 0.820 14 L CB 0.936 42.997 42.059 0.002 0.000 1.204 14 L HN 0.709 nan 8.230 nan 0.000 0.424 15 V N 2.128 122.044 119.914 0.004 0.000 3.158 15 V HA 1.142 5.287 4.120 0.043 0.000 0.311 15 V C 0.023 176.130 176.094 0.022 0.000 1.181 15 V CA -0.115 62.188 62.300 0.006 0.000 1.054 15 V CB 1.219 33.044 31.823 0.003 0.000 1.085 15 V HN 1.153 nan 8.190 nan 0.000 0.446 16 G N -0.712 108.099 108.800 0.018 0.000 2.350 16 G HA2 0.328 4.314 3.960 0.043 0.000 0.304 16 G HA3 0.328 4.314 3.960 0.043 0.000 0.304 16 G C -1.411 173.499 174.900 0.016 0.000 1.421 16 G CA -0.411 44.711 45.100 0.037 0.000 0.934 16 G HN 1.591 nan 8.290 nan 0.000 0.632 17 H N 0.318 119.353 119.070 -0.058 0.000 2.929 17 H HA 0.506 5.088 4.556 0.044 0.000 0.358 17 H C 1.234 176.465 175.328 -0.161 0.000 1.111 17 H CA 1.226 57.214 56.048 -0.101 0.000 1.409 17 H CB 0.948 30.660 29.762 -0.083 0.000 1.373 17 H HN 1.033 nan 8.280 nan 0.000 0.610 18 A N 2.580 125.004 122.820 -0.660 0.000 2.567 18 A HA 0.358 4.704 4.320 0.043 0.000 0.240 18 A C 1.569 179.029 177.584 -0.207 0.000 1.053 18 A CA 0.596 52.263 52.037 -0.618 0.000 0.755 18 A CB -1.090 17.043 19.000 -1.444 0.000 0.978 18 A HN 1.445 nan 8.150 nan 0.000 0.507 19 G N 1.439 110.162 108.800 -0.128 0.000 2.148 19 G HA2 -0.257 3.729 3.960 0.043 0.000 0.254 19 G HA3 -0.257 3.729 3.960 0.043 0.000 0.254 19 G C 0.980 175.885 174.900 0.008 0.000 0.981 19 G CA 1.124 46.210 45.100 -0.023 0.000 0.670 19 G HN 2.104 nan 8.290 nan 0.000 0.528 20 S N -0.503 115.201 115.700 0.006 0.000 2.607 20 S HA 0.401 4.897 4.470 0.043 0.000 0.224 20 S C 2.043 176.650 174.600 0.011 0.000 0.969 20 S CA 1.182 59.392 58.200 0.016 0.000 0.927 20 S CB 0.172 63.388 63.200 0.026 0.000 0.772 20 S HN 2.340 nan 8.310 nan 0.000 0.533 21 G N 1.272 110.077 108.800 0.008 0.000 2.134 21 G HA2 -0.246 3.740 3.960 0.043 0.000 0.209 21 G HA3 -0.246 3.740 3.960 0.043 0.000 0.209 21 G C 0.681 175.587 174.900 0.011 0.000 0.993 21 G CA 0.250 45.358 45.100 0.013 0.000 0.669 21 G HN 0.503 nan 8.290 nan 0.000 0.519 22 K N -0.341 120.061 120.400 0.004 0.000 2.002 22 K HA -0.061 4.285 4.320 0.043 0.000 0.209 22 K C 2.545 179.149 176.600 0.006 0.000 1.048 22 K CA 1.919 58.209 56.287 0.004 0.000 0.930 22 K CB -0.356 32.142 32.500 -0.003 0.000 0.714 22 K HN 0.304 nan 8.250 nan 0.000 0.438 23 T N 0.723 115.280 114.554 0.005 0.000 2.867 23 T HA -0.092 4.284 4.350 0.043 0.000 0.268 23 T C 1.895 176.604 174.700 0.014 0.000 1.057 23 T CA 1.562 63.668 62.100 0.010 0.000 1.136 23 T CB -0.263 68.611 68.868 0.009 0.000 0.874 23 T HN 0.271 nan 8.240 nan 0.000 0.466 24 T N 2.188 116.749 114.554 0.013 0.000 2.821 24 T HA 0.010 4.386 4.350 0.043 0.000 0.267 24 T C 1.833 176.541 174.700 0.013 0.000 1.046 24 T CA 0.608 62.716 62.100 0.013 0.000 1.139 24 T CB -0.337 68.540 68.868 0.014 0.000 0.871 24 T HN 0.105 nan 8.240 nan 0.000 0.454 25 L N 1.097 122.327 121.223 0.012 0.000 2.056 25 L HA -0.023 4.343 4.340 0.043 0.000 0.207 25 L C 2.506 179.380 176.870 0.006 0.000 1.078 25 L CA 1.756 56.601 54.840 0.008 0.000 0.749 25 L CB -1.159 40.904 42.059 0.007 0.000 0.901 25 L HN 0.163 nan 8.230 nan 0.000 0.433 26 T N -0.651 113.908 114.554 0.009 0.000 2.708 26 T HA -0.158 4.218 4.350 0.043 0.000 0.266 26 T C 1.756 176.469 174.700 0.022 0.000 1.037 26 T CA 1.414 63.520 62.100 0.011 0.000 1.146 26 T CB -0.191 68.687 68.868 0.016 0.000 0.865 26 T HN 0.302 nan 8.240 nan 0.000 0.435 27 E N 1.140 121.357 120.200 0.029 0.000 2.085 27 E HA -0.086 4.290 4.350 0.043 0.000 0.194 27 E C 2.533 179.175 176.600 0.071 0.000 0.994 27 E CA 1.286 57.712 56.400 0.043 0.000 0.801 27 E CB -0.544 29.173 29.700 0.028 0.000 0.743 27 E HN 0.508 nan 8.360 nan 0.000 0.453 28 A N 0.778 123.631 122.820 0.056 0.000 1.902 28 A HA -0.132 4.214 4.320 0.043 0.000 0.217 28 A C 2.414 180.043 177.584 0.075 0.000 1.181 28 A CA 1.081 53.171 52.037 0.088 0.000 0.623 28 A CB -0.648 18.375 19.000 0.039 0.000 0.818 28 A HN 0.199 nan 8.150 nan 0.000 0.443 29 L N -0.758 120.475 121.223 0.017 0.000 2.056 29 L HA -0.153 4.213 4.340 0.043 0.000 0.207 29 L C 2.535 179.395 176.870 -0.016 0.000 1.078 29 L CA 0.951 55.773 54.840 -0.029 0.000 0.749 29 L CB -0.445 41.584 42.059 -0.050 0.000 0.901 29 L HN 0.367 nan 8.230 nan 0.000 0.433 30 L N -1.648 119.588 121.223 0.022 0.000 2.046 30 L HA -0.263 4.103 4.340 0.043 0.000 0.208 30 L C 2.564 179.467 176.870 0.056 0.000 1.077 30 L CA 1.453 56.311 54.840 0.029 0.000 0.747 30 L CB -0.603 41.484 42.059 0.046 0.000 0.896 30 L HN 0.238 nan 8.230 nan 0.000 0.432 31 Y N 0.714 121.008 120.300 -0.011 0.000 2.163 31 Y HA -0.211 4.364 4.550 0.043 0.000 0.288 31 Y C 2.541 178.441 175.900 -0.000 0.000 1.136 31 Y CA 1.377 59.474 58.100 -0.004 0.000 1.147 31 Y CB 0.122 38.579 38.460 -0.005 0.000 0.987 31 Y HN -0.089 nan 8.280 nan 0.000 0.509 32 K N -0.067 120.204 120.400 -0.215 0.000 2.211 32 K HA -0.097 4.249 4.320 0.043 0.000 0.203 32 K C 1.921 178.408 176.600 -0.189 0.000 1.050 32 K CA 1.671 57.788 56.287 -0.284 0.000 0.945 32 K CB -0.870 31.568 32.500 -0.104 0.000 0.732 32 K HN 0.595 nan 8.250 nan 0.000 0.451 33 T N -3.139 111.348 114.554 -0.111 0.000 3.100 33 T HA 0.178 4.554 4.350 0.043 0.000 0.253 33 T C 1.293 175.969 174.700 -0.040 0.000 1.118 33 T CA 0.688 62.778 62.100 -0.016 0.000 1.058 33 T CB 0.186 69.061 68.868 0.012 0.000 0.953 33 T HN 0.292 nan 8.240 nan 0.000 0.515 34 G N 0.728 109.461 108.800 -0.112 0.000 2.141 34 G HA2 -0.159 3.827 3.960 0.043 0.000 0.242 34 G HA3 -0.159 3.827 3.960 0.043 0.000 0.242 34 G C 1.006 175.887 174.900 -0.032 0.000 0.982 34 G CA 0.026 45.072 45.100 -0.089 0.000 0.662 34 G HN 1.008 nan 8.290 nan 0.000 0.527 35 A N -0.254 122.555 122.820 -0.018 0.000 2.066 35 A HA 0.448 4.794 4.320 0.043 0.000 0.218 35 A C 1.248 178.847 177.584 0.025 0.000 1.157 35 A CA 2.149 54.187 52.037 0.002 0.000 0.670 35 A CB -0.093 18.904 19.000 -0.004 0.000 0.804 35 A HN 1.346 nan 8.150 nan 0.000 0.453 36 K N -2.198 118.232 120.400 0.050 0.000 2.532 36 K HA 0.417 4.763 4.320 0.043 0.000 0.265 36 K C -0.418 176.266 176.600 0.140 0.000 0.948 36 K CA -0.796 55.539 56.287 0.080 0.000 0.842 36 K CB 1.131 33.680 32.500 0.082 0.000 1.392 36 K HN -0.199 nan 8.250 nan 0.000 0.436 37 E N 1.187 121.459 120.200 0.120 0.000 2.058 37 E HA -0.130 4.246 4.350 0.043 0.000 0.194 37 E C 0.046 176.797 176.600 0.250 0.000 0.997 37 E CA 1.585 58.078 56.400 0.154 0.000 0.801 37 E CB 0.084 29.835 29.700 0.086 0.000 0.746 37 E HN 0.649 nan 8.360 nan 0.000 0.450 38 R N -0.654 119.933 120.500 0.145 0.000 2.771 38 R HA 0.507 4.873 4.340 0.043 0.000 0.274 38 R C -0.188 176.055 176.300 -0.095 0.000 0.987 38 R CA -0.851 55.224 56.100 -0.042 0.000 0.908 38 R CB 1.540 31.797 30.300 -0.072 0.000 1.213 38 R HN -0.217 nan 8.270 nan 0.000 0.468 39 R N 1.252 121.533 120.500 -0.366 0.000 2.316 39 R HA 0.195 4.561 4.340 0.043 0.000 0.314 39 R C -0.034 176.199 176.300 -0.111 0.000 1.069 39 R CA 0.146 56.131 56.100 -0.192 0.000 0.959 39 R CB 0.679 30.810 30.300 -0.281 0.000 0.987 39 R HN 0.860 nan 8.270 nan 0.000 0.446 40 G N 3.258 112.036 108.800 -0.038 0.000 2.621 40 G HA2 0.292 4.278 3.960 0.043 0.000 0.271 40 G HA3 0.292 4.278 3.960 0.043 0.000 0.271 40 G C -0.704 174.184 174.900 -0.021 0.000 1.236 40 G CA -0.643 44.444 45.100 -0.022 0.000 0.958 40 G HN 0.591 nan 8.290 nan 0.000 0.512 41 R N -0.890 119.604 120.500 -0.010 0.000 2.621 41 R HA 0.329 4.695 4.340 0.043 0.000 0.284 41 R C 0.731 177.035 176.300 0.006 0.000 0.998 41 R CA -0.907 55.189 56.100 -0.006 0.000 0.895 41 R CB 2.302 32.594 30.300 -0.013 0.000 1.195 41 R HN 0.254 nan 8.270 nan 0.000 0.450 42 V N 2.373 122.293 119.914 0.011 0.000 2.332 42 V HA -0.268 3.877 4.120 0.043 0.000 0.248 42 V C 2.278 178.382 176.094 0.017 0.000 1.055 42 V CA 2.239 64.549 62.300 0.017 0.000 1.038 42 V CB -0.424 31.411 31.823 0.021 0.000 0.651 42 V HN 0.836 nan 8.190 nan 0.000 0.450 43 E N 0.590 120.799 120.200 0.014 0.000 2.401 43 E HA -0.238 4.138 4.350 0.043 0.000 0.199 43 E C 1.302 177.907 176.600 0.008 0.000 1.023 43 E CA 1.420 57.827 56.400 0.013 0.000 0.859 43 E CB -0.187 29.520 29.700 0.012 0.000 0.780 43 E HN 0.763 nan 8.360 nan 0.000 0.523 44 E N -0.175 120.028 120.200 0.006 0.000 2.526 44 E HA 0.211 4.587 4.350 0.043 0.000 0.208 44 E C 0.608 177.214 176.600 0.009 0.000 0.997 44 E CA 0.159 56.561 56.400 0.004 0.000 0.961 44 E CB 0.807 30.507 29.700 -0.001 0.000 1.030 44 E HN 0.392 nan 8.360 nan 0.000 0.483 45 G N 2.426 111.234 108.800 0.014 0.000 2.179 45 G HA2 -0.325 3.661 3.960 0.043 0.000 0.257 45 G HA3 -0.325 3.661 3.960 0.043 0.000 0.257 45 G C 0.833 175.751 174.900 0.029 0.000 1.010 45 G CA 0.999 46.111 45.100 0.021 0.000 0.736 45 G HN 0.362 nan 8.290 nan 0.000 0.513 46 T N -1.564 113.004 114.554 0.024 0.000 3.214 46 T HA 0.471 4.847 4.350 0.043 0.000 0.264 46 T C 0.984 175.704 174.700 0.032 0.000 1.012 46 T CA 0.759 62.875 62.100 0.025 0.000 0.901 46 T CB 0.450 69.324 68.868 0.010 0.000 1.070 46 T HN 1.151 nan 8.240 nan 0.000 0.561 47 T N -1.444 113.134 114.554 0.041 0.000 2.899 47 T HA 0.324 4.700 4.350 0.043 0.000 0.284 47 T C 1.322 176.068 174.700 0.077 0.000 1.004 47 T CA -0.378 61.751 62.100 0.048 0.000 1.043 47 T CB 1.325 70.217 68.868 0.041 0.000 1.013 47 T HN 0.000 nan 8.240 nan 0.000 0.518 48 T N 1.695 116.294 114.554 0.075 0.000 2.777 48 T HA -0.071 4.305 4.350 0.043 0.000 0.266 48 T C 2.132 176.930 174.700 0.164 0.000 1.040 48 T CA 1.865 64.022 62.100 0.096 0.000 1.141 48 T CB -0.682 68.228 68.868 0.069 0.000 0.868 48 T HN 0.806 nan 8.240 nan 0.000 0.444 49 T N 1.832 116.460 114.554 0.123 0.000 2.701 49 T HA -0.059 4.317 4.350 0.043 0.000 0.263 49 T C 0.556 175.313 174.700 0.095 0.000 1.040 49 T CA 0.942 63.114 62.100 0.120 0.000 1.147 49 T CB -0.295 68.602 68.868 0.048 0.000 0.865 49 T HN 0.254 nan 8.240 nan 0.000 0.426 50 D N 1.260 121.689 120.400 0.048 0.000 2.483 50 D HA 0.214 4.880 4.640 0.043 0.000 0.220 50 D C 0.220 176.540 176.300 0.034 0.000 1.173 50 D CA -0.185 53.800 54.000 -0.025 0.000 0.964 50 D CB 0.300 41.090 40.800 -0.016 0.000 1.046 50 D HN 0.628 nan 8.370 nan 0.000 0.517 51 Y N -0.607 119.690 120.300 -0.005 0.000 2.430 51 Y HA 0.153 4.728 4.550 0.041 0.000 0.254 51 Y C 0.959 176.864 175.900 0.007 0.000 1.088 51 Y CA -0.581 57.522 58.100 0.006 0.000 1.267 51 Y CB -0.422 38.048 38.460 0.016 0.000 1.204 51 Y HN 0.012 nan 8.280 nan 0.000 0.515 52 T N -0.896 113.371 114.554 -0.478 0.000 2.860 52 T HA 0.216 4.592 4.350 0.043 0.000 0.299 52 T C -1.798 172.847 174.700 -0.091 0.000 1.045 52 T CA -1.517 60.440 62.100 -0.239 0.000 1.071 52 T CB 1.341 70.011 68.868 -0.330 0.000 0.985 52 T HN -0.079 nan 8.240 nan 0.000 0.537 53 P HA -0.065 nan 4.420 nan 0.000 0.216 53 P C 1.206 178.498 177.300 -0.014 0.000 1.150 53 P CA 0.977 64.068 63.100 -0.015 0.000 0.837 53 P CB 0.072 31.766 31.700 -0.011 0.000 0.786 54 E N -0.347 119.842 120.200 -0.018 0.000 2.072 54 E HA -0.094 4.282 4.350 0.043 0.000 0.191 54 E C 2.153 178.800 176.600 0.078 0.000 0.985 54 E CA 1.423 57.867 56.400 0.073 0.000 0.801 54 E CB -1.291 28.422 29.700 0.022 0.000 0.750 54 E HN 0.125 nan 8.360 nan 0.000 0.452 55 A N 1.121 123.908 122.820 -0.055 0.000 1.902 55 A HA -0.241 4.105 4.320 0.043 0.000 0.217 55 A C 1.903 179.486 177.584 -0.002 0.000 1.181 55 A CA 1.799 53.796 52.037 -0.066 0.000 0.623 55 A CB -0.332 18.569 19.000 -0.166 0.000 0.818 55 A HN 0.113 nan 8.150 nan 0.000 0.443 56 K N -0.948 119.444 120.400 -0.012 0.000 2.031 56 K HA -0.001 4.345 4.320 0.043 0.000 0.205 56 K C 1.923 178.515 176.600 -0.013 0.000 1.049 56 K CA 1.141 57.427 56.287 -0.002 0.000 0.939 56 K CB -0.350 32.150 32.500 0.001 0.000 0.717 56 K HN 0.353 nan 8.250 nan 0.000 0.438 57 L N 1.080 122.278 121.223 -0.043 0.000 2.012 57 L HA -0.181 4.185 4.340 0.043 0.000 0.210 57 L C 1.789 178.524 176.870 -0.224 0.000 1.073 57 L CA 1.911 56.661 54.840 -0.150 0.000 0.748 57 L CB -0.371 41.553 42.059 -0.225 0.000 0.891 57 L HN 0.304 nan 8.230 nan 0.000 0.431 58 H N 0.260 119.345 119.070 0.025 0.000 2.539 58 H HA 0.206 4.788 4.556 0.042 0.000 0.267 58 H C 0.106 175.478 175.328 0.073 0.000 0.982 58 H CA 0.076 56.156 56.048 0.053 0.000 1.146 58 H CB 0.214 30.023 29.762 0.079 0.000 1.382 58 H HN 0.206 nan 8.280 nan 0.000 0.577 59 R N 0.872 121.442 120.500 0.116 0.000 3.322 59 R HA -0.149 4.217 4.340 0.043 0.000 0.253 59 R C -0.178 176.201 176.300 0.132 0.000 0.987 59 R CA 0.749 56.906 56.100 0.094 0.000 0.666 59 R CB -2.487 27.858 30.300 0.075 0.000 1.072 59 R HN 0.379 nan 8.270 nan 0.000 0.447 60 T N -1.490 113.149 114.554 0.140 0.000 2.889 60 T HA 0.286 4.662 4.350 0.043 0.000 0.315 60 T C -0.661 174.061 174.700 0.036 0.000 1.291 60 T CA -0.220 61.972 62.100 0.154 0.000 1.028 60 T CB 1.602 70.695 68.868 0.376 0.000 1.235 60 T HN 0.092 nan 8.240 nan 0.000 0.491 61 T N 3.505 118.054 114.554 -0.009 0.000 2.743 61 T HA 0.218 4.594 4.350 0.043 0.000 0.290 61 T C 1.470 175.989 174.700 -0.303 0.000 0.908 61 T CA -0.207 61.824 62.100 -0.115 0.000 1.092 61 T CB 0.422 69.246 68.868 -0.072 0.000 0.882 61 T HN 0.458 nan 8.240 nan 0.000 0.531 62 V N 3.726 123.341 119.914 -0.499 0.000 2.725 62 V HA 0.118 4.264 4.120 0.043 0.000 0.247 62 V C 1.125 176.804 176.094 -0.691 0.000 1.058 62 V CA 1.041 62.708 62.300 -1.055 0.000 1.080 62 V CB -0.114 31.265 31.823 -0.741 0.000 0.713 62 V HN 0.599 nan 8.190 nan 0.000 0.465 63 R N 0.229 120.486 120.500 -0.404 0.000 2.561 63 R HA 0.434 4.800 4.340 0.043 0.000 0.297 63 R C -0.425 175.759 176.300 -0.193 0.000 0.969 63 R CA -0.366 55.567 56.100 -0.277 0.000 0.879 63 R CB 1.046 31.172 30.300 -0.291 0.000 1.178 63 R HN 0.100 nan 8.270 nan 0.000 0.445 64 T N 1.357 115.837 114.554 -0.124 0.000 2.934 64 T HA 0.207 4.582 4.350 0.043 0.000 0.306 64 T C 0.657 175.327 174.700 -0.050 0.000 1.042 64 T CA 0.428 62.496 62.100 -0.053 0.000 1.145 64 T CB 0.575 69.459 68.868 0.027 0.000 0.982 64 T HN 0.644 nan 8.240 nan 0.000 0.544 65 G N 1.553 110.358 108.800 0.009 0.000 2.416 65 G HA2 0.561 4.547 3.960 0.043 0.000 0.329 65 G HA3 0.561 4.547 3.960 0.043 0.000 0.329 65 G C -0.729 174.228 174.900 0.096 0.000 1.173 65 G CA -0.601 44.540 45.100 0.068 0.000 0.929 65 G HN 0.679 nan 8.290 nan 0.000 0.475 66 V N 1.031 121.028 119.914 0.140 0.000 2.465 66 V HA 0.621 4.767 4.120 0.043 0.000 0.279 66 V C 0.516 176.686 176.094 0.126 0.000 1.045 66 V CA -0.516 61.888 62.300 0.173 0.000 0.938 66 V CB 1.307 33.296 31.823 0.276 0.000 0.986 66 V HN 1.005 nan 8.190 nan 0.000 0.467 67 A N 7.580 130.449 122.820 0.082 0.000 2.360 67 A HA 0.701 5.047 4.320 0.043 0.000 0.309 67 A C -2.533 175.018 177.584 -0.056 0.000 1.311 67 A CA -1.578 50.472 52.037 0.022 0.000 0.805 67 A CB 0.956 19.961 19.000 0.008 0.000 1.144 67 A HN 0.603 nan 8.150 nan 0.000 0.486 68 P HA 0.267 nan 4.420 nan 0.000 0.256 68 P C -0.559 176.511 177.300 -0.383 0.000 1.689 68 P CA 0.072 62.935 63.100 -0.394 0.000 1.124 68 P CB 0.181 31.740 31.700 -0.236 0.000 1.766 69 L N 3.733 124.740 121.223 -0.360 0.000 2.380 69 L HA 0.340 4.706 4.340 0.043 0.000 0.273 69 L C 0.659 177.408 176.870 -0.202 0.000 1.138 69 L CA -0.720 53.992 54.840 -0.213 0.000 0.832 69 L CB 0.519 42.493 42.059 -0.140 0.000 1.124 69 L HN 0.220 nan 8.230 nan 0.000 0.454 70 L N 4.338 125.511 121.223 -0.083 0.000 2.356 70 L HA 0.624 4.990 4.340 0.043 0.000 0.277 70 L C -1.365 175.582 176.870 0.127 0.000 0.996 70 L CA -0.092 54.736 54.840 -0.020 0.000 0.822 70 L CB 1.468 43.502 42.059 -0.042 0.000 1.256 70 L HN 0.399 nan 8.230 nan 0.000 0.413 71 F N 5.134 125.058 119.950 -0.043 0.000 2.689 71 F HA 0.486 5.039 4.527 0.043 0.000 0.332 71 F C 0.189 175.981 175.800 -0.013 0.000 1.209 71 F CA -0.611 57.379 58.000 -0.017 0.000 1.028 71 F CB 0.978 39.986 39.000 0.014 0.000 1.291 71 F HN 0.630 nan 8.300 nan 0.000 0.500 72 R N 4.050 124.224 120.500 -0.543 0.000 3.405 72 R HA -0.211 4.155 4.340 0.043 0.000 0.258 72 R C 1.072 177.063 176.300 -0.515 0.000 1.030 72 R CA 1.027 56.806 56.100 -0.535 0.000 0.691 72 R CB -1.872 28.026 30.300 -0.671 0.000 1.093 72 R HN 1.612 nan 8.270 nan 0.000 0.448 73 G N -1.238 107.358 108.800 -0.340 0.000 2.205 73 G HA2 -0.332 3.654 3.960 0.043 0.000 0.261 73 G HA3 -0.332 3.654 3.960 0.043 0.000 0.261 73 G C 0.137 174.864 174.900 -0.288 0.000 0.980 73 G CA 0.644 45.556 45.100 -0.313 0.000 0.632 73 G HN 0.596 nan 8.290 nan 0.000 0.533 74 H N 0.206 119.285 119.070 0.015 0.000 2.496 74 H HA 0.689 5.271 4.556 0.043 0.000 0.342 74 H C 0.576 175.928 175.328 0.041 0.000 1.170 74 H CA -0.206 55.876 56.048 0.057 0.000 1.274 74 H CB 0.904 30.721 29.762 0.090 0.000 1.538 74 H HN 0.314 nan 8.280 nan 0.000 0.542 75 R N 0.818 121.411 120.500 0.155 0.000 2.561 75 R HA 0.501 4.867 4.340 0.043 0.000 0.297 75 R C -1.220 175.045 176.300 -0.058 0.000 0.969 75 R CA -0.845 55.227 56.100 -0.047 0.000 0.879 75 R CB 2.294 32.530 30.300 -0.107 0.000 1.178 75 R HN 0.232 nan 8.270 nan 0.000 0.445 76 V N 4.375 124.168 119.914 -0.201 0.000 2.376 76 V HA 0.362 4.508 4.120 0.043 0.000 0.287 76 V C -0.920 175.003 176.094 -0.283 0.000 1.015 76 V CA -0.689 61.544 62.300 -0.112 0.000 0.834 76 V CB 1.222 33.016 31.823 -0.049 0.000 1.001 76 V HN 0.584 nan 8.190 nan 0.000 0.428 77 F N 5.539 125.457 119.950 -0.055 0.000 2.375 77 F HA 0.470 5.022 4.527 0.042 0.000 0.362 77 F C 0.001 175.780 175.800 -0.036 0.000 1.129 77 F CA -0.333 57.629 58.000 -0.064 0.000 1.154 77 F CB 1.116 40.063 39.000 -0.088 0.000 1.205 77 F HN 0.312 nan 8.300 nan 0.000 0.513 78 L N 5.567 126.816 121.223 0.043 0.000 2.275 78 L HA 0.499 4.865 4.340 0.043 0.000 0.288 78 L C -0.919 175.983 176.870 0.053 0.000 1.046 78 L CA -0.365 54.494 54.840 0.032 0.000 0.805 78 L CB 0.768 42.824 42.059 -0.006 0.000 1.193 78 L HN 0.399 nan 8.230 nan 0.000 0.426 79 L N 4.632 125.877 121.223 0.036 0.000 2.264 79 L HA 0.353 4.719 4.340 0.043 0.000 0.287 79 L C -0.545 176.340 176.870 0.025 0.000 1.039 79 L CA -0.643 54.222 54.840 0.042 0.000 0.829 79 L CB 1.106 43.162 42.059 -0.005 0.000 1.211 79 L HN 0.547 nan 8.230 nan 0.000 0.427 80 D N 3.489 123.909 120.400 0.032 0.000 2.393 80 D HA 0.423 5.089 4.640 0.043 0.000 0.232 80 D C -0.044 176.260 176.300 0.006 0.000 1.192 80 D CA -0.013 53.996 54.000 0.016 0.000 0.882 80 D CB 1.174 41.986 40.800 0.020 0.000 1.038 80 D HN 0.556 nan 8.370 nan 0.000 0.499 81 A N 4.532 127.352 122.820 -0.000 0.000 2.252 81 A HA 0.700 5.046 4.320 0.043 0.000 0.305 81 A C -2.356 175.221 177.584 -0.013 0.000 1.097 81 A CA -1.381 50.653 52.037 -0.005 0.000 0.849 81 A CB 0.456 19.456 19.000 -0.000 0.000 1.142 81 A HN 0.459 nan 8.150 nan 0.000 0.499 82 P HA 0.247 nan 4.420 nan 0.000 0.273 82 P C 0.706 178.017 177.300 0.019 0.000 1.250 82 P CA 0.516 63.635 63.100 0.032 0.000 0.793 82 P CB 0.728 32.508 31.700 0.133 0.000 1.011 83 G N -1.093 107.700 108.800 -0.011 0.000 2.768 83 G HA2 0.046 4.032 3.960 0.043 0.000 0.201 83 G HA3 0.046 4.032 3.960 0.043 0.000 0.201 83 G C -0.276 174.495 174.900 -0.214 0.000 1.089 83 G CA 0.278 45.277 45.100 -0.168 0.000 0.787 83 G HN 0.399 nan 8.290 nan 0.000 0.547 84 Y N 0.915 121.218 120.300 0.005 0.000 2.346 84 Y HA 0.352 4.928 4.550 0.043 0.000 0.330 84 Y C 1.880 177.671 175.900 -0.181 0.000 1.178 84 Y CA -0.003 58.025 58.100 -0.120 0.000 1.331 84 Y CB 1.654 40.028 38.460 -0.144 0.000 1.253 84 Y HN 0.043 nan 8.280 nan 0.000 0.529 85 G N 1.515 110.307 108.800 -0.014 0.000 2.498 85 G HA2 -0.242 3.744 3.960 0.043 0.000 0.219 85 G HA3 -0.242 3.744 3.960 0.043 0.000 0.219 85 G C 0.888 175.643 174.900 -0.241 0.000 1.119 85 G CA 0.917 45.956 45.100 -0.101 0.000 0.766 85 G HN 0.745 nan 8.290 nan 0.000 0.552 86 D N 0.063 120.220 120.400 -0.405 0.000 2.221 86 D HA -0.093 4.573 4.640 0.043 0.000 0.204 86 D C 1.057 176.832 176.300 -0.875 0.000 0.982 86 D CA 0.773 54.367 54.000 -0.675 0.000 0.857 86 D CB -0.215 39.933 40.800 -1.086 0.000 0.934 86 D HN 0.521 nan 8.370 nan 0.000 0.475 87 F N -0.321 119.509 119.950 -0.199 0.000 2.837 87 F HA 0.213 4.767 4.527 0.044 0.000 0.298 87 F C 1.595 177.257 175.800 -0.230 0.000 1.161 87 F CA -0.542 57.317 58.000 -0.235 0.000 1.353 87 F CB 0.291 39.229 39.000 -0.103 0.000 0.951 87 F HN -0.205 nan 8.300 nan 0.000 0.508 88 V N 1.003 120.775 119.914 -0.237 0.000 2.380 88 V HA -0.268 3.878 4.120 0.043 0.000 0.251 88 V C 2.310 178.296 176.094 -0.180 0.000 1.063 88 V CA 2.653 64.816 62.300 -0.228 0.000 1.055 88 V CB -0.648 30.957 31.823 -0.364 0.000 0.657 88 V HN 0.557 nan 8.190 nan 0.000 0.455 89 G N -0.889 107.788 108.800 -0.206 0.000 2.491 89 G HA2 -0.256 3.730 3.960 0.043 0.000 0.218 89 G HA3 -0.256 3.730 3.960 0.043 0.000 0.218 89 G C 1.495 176.379 174.900 -0.027 0.000 1.180 89 G CA 0.916 45.959 45.100 -0.095 0.000 0.774 89 G HN 0.548 nan 8.290 nan 0.000 0.562 90 E N 0.273 120.474 120.200 0.001 0.000 2.106 90 E HA -0.025 4.351 4.350 0.043 0.000 0.192 90 E C 2.676 179.292 176.600 0.028 0.000 0.984 90 E CA 0.397 56.812 56.400 0.024 0.000 0.806 90 E CB -0.135 29.568 29.700 0.004 0.000 0.750 90 E HN 0.530 nan 8.360 nan 0.000 0.458 91 I N 0.724 121.299 120.570 0.009 0.000 2.142 91 I HA -0.276 3.920 4.170 0.043 0.000 0.240 91 I C 2.591 178.696 176.117 -0.020 0.000 1.078 91 I CA 1.185 62.483 61.300 -0.003 0.000 1.343 91 I CB -0.234 37.758 38.000 -0.013 0.000 1.046 91 I HN -0.012 nan 8.210 nan 0.000 0.405 92 R N 0.611 121.087 120.500 -0.040 0.000 2.115 92 R HA -0.078 4.288 4.340 0.043 0.000 0.230 92 R C 2.412 178.690 176.300 -0.037 0.000 1.111 92 R CA 1.283 57.349 56.100 -0.058 0.000 0.976 92 R CB -0.623 29.622 30.300 -0.092 0.000 0.870 92 R HN 0.458 nan 8.270 nan 0.000 0.445 93 G N 0.844 109.652 108.800 0.013 0.000 2.418 93 G HA2 -0.260 3.726 3.960 0.043 0.000 0.217 93 G HA3 -0.260 3.726 3.960 0.043 0.000 0.217 93 G C 1.541 176.504 174.900 0.105 0.000 1.158 93 G CA 0.775 45.941 45.100 0.111 0.000 0.771 93 G HN 0.395 nan 8.290 nan 0.000 0.545 94 A N 0.465 123.318 122.820 0.055 0.000 1.898 94 A HA 0.137 4.483 4.320 0.043 0.000 0.216 94 A C 2.426 179.931 177.584 -0.132 0.000 1.181 94 A CA 1.172 53.166 52.037 -0.072 0.000 0.620 94 A CB -0.367 18.627 19.000 -0.011 0.000 0.819 94 A HN 0.350 nan 8.150 nan 0.000 0.442 95 L N -0.811 120.368 121.223 -0.072 0.000 2.056 95 L HA -0.171 4.195 4.340 0.043 0.000 0.207 95 L C 2.595 179.434 176.870 -0.052 0.000 1.078 95 L CA 1.396 56.194 54.840 -0.070 0.000 0.749 95 L CB -0.511 41.510 42.059 -0.065 0.000 0.901 95 L HN 0.454 nan 8.230 nan 0.000 0.433 96 E N 0.082 120.259 120.200 -0.037 0.000 2.118 96 E HA -0.246 4.130 4.350 0.043 0.000 0.195 96 E C 2.154 178.810 176.600 0.094 0.000 0.992 96 E CA 1.264 57.680 56.400 0.028 0.000 0.804 96 E CB -0.093 29.628 29.700 0.036 0.000 0.741 96 E HN 0.510 nan 8.360 nan 0.000 0.458 97 A N 0.711 123.463 122.820 -0.113 0.000 2.119 97 A HA 0.220 4.566 4.320 0.043 0.000 0.216 97 A C 1.095 178.570 177.584 -0.182 0.000 1.152 97 A CA 0.778 52.622 52.037 -0.321 0.000 0.708 97 A CB 0.055 18.301 19.000 -1.256 0.000 0.805 97 A HN 0.213 nan 8.150 nan 0.000 0.460 98 A N -0.780 121.995 122.820 -0.075 0.000 2.288 98 A HA 0.579 4.925 4.320 0.043 0.000 0.328 98 A C -0.144 177.490 177.584 0.084 0.000 1.123 98 A CA -0.338 51.691 52.037 -0.013 0.000 0.861 98 A CB 0.678 19.645 19.000 -0.054 0.000 1.272 98 A HN 0.099 nan 8.150 nan 0.000 0.490 99 D N -0.306 120.144 120.400 0.083 0.000 2.369 99 D HA 0.452 5.118 4.640 0.043 0.000 0.211 99 D C 0.174 176.469 176.300 -0.007 0.000 1.077 99 D CA 1.296 55.342 54.000 0.076 0.000 0.842 99 D CB 0.756 41.629 40.800 0.122 0.000 0.947 99 D HN 0.753 nan 8.370 nan 0.000 0.509 100 A N 0.017 122.823 122.820 -0.024 0.000 2.608 100 A HA 0.730 5.076 4.320 0.043 0.000 0.292 100 A C -1.602 175.940 177.584 -0.070 0.000 1.066 100 A CA -0.542 51.457 52.037 -0.064 0.000 0.676 100 A CB 1.273 20.240 19.000 -0.055 0.000 1.277 100 A HN 0.007 nan 8.150 nan 0.000 0.413 101 A N 0.430 123.185 122.820 -0.107 0.000 2.331 101 A HA 0.694 5.040 4.320 0.043 0.000 0.320 101 A C -1.046 176.498 177.584 -0.066 0.000 1.138 101 A CA -0.445 51.532 52.037 -0.099 0.000 0.790 101 A CB 0.896 19.800 19.000 -0.160 0.000 1.206 101 A HN 1.874 nan 8.150 nan 0.000 0.470 102 L N 3.895 125.103 121.223 -0.024 0.000 2.265 102 L HA 0.616 4.982 4.340 0.043 0.000 0.289 102 L C -0.942 175.945 176.870 0.029 0.000 1.033 102 L CA -0.146 54.700 54.840 0.010 0.000 0.814 102 L CB 1.379 43.444 42.059 0.011 0.000 1.203 102 L HN 0.364 nan 8.230 nan 0.000 0.423 103 V N 5.784 125.741 119.914 0.070 0.000 2.328 103 V HA 0.670 4.816 4.120 0.043 0.000 0.278 103 V C 0.638 176.778 176.094 0.077 0.000 1.021 103 V CA -0.513 61.848 62.300 0.101 0.000 0.838 103 V CB 0.863 32.825 31.823 0.232 0.000 0.999 103 V HN 0.956 nan 8.190 nan 0.000 0.447 104 A N 5.181 128.030 122.820 0.049 0.000 2.401 104 A HA 0.700 5.046 4.320 0.043 0.000 0.259 104 A C -0.363 177.234 177.584 0.022 0.000 1.103 104 A CA -0.225 51.831 52.037 0.031 0.000 0.789 104 A CB 0.667 19.680 19.000 0.022 0.000 1.035 104 A HN 0.712 nan 8.150 nan 0.000 0.491 105 V N 2.545 122.461 119.914 0.003 0.000 2.525 105 V HA 0.348 4.494 4.120 0.043 0.000 0.299 105 V C 0.421 176.495 176.094 -0.034 0.000 1.034 105 V CA -0.517 61.768 62.300 -0.026 0.000 0.863 105 V CB 1.762 33.551 31.823 -0.058 0.000 0.999 105 V HN 1.026 nan 8.190 nan 0.000 0.423 106 S N 3.853 119.531 115.700 -0.036 0.000 2.531 106 S HA 0.400 4.896 4.470 0.043 0.000 0.279 106 S C 1.426 175.990 174.600 -0.060 0.000 1.305 106 S CA 0.192 58.369 58.200 -0.038 0.000 1.058 106 S CB 1.413 64.596 63.200 -0.028 0.000 0.899 106 S HN 1.100 nan 8.310 nan 0.000 0.493 107 A N 4.512 127.294 122.820 -0.064 0.000 2.070 107 A HA -0.029 4.317 4.320 0.043 0.000 0.220 107 A C 1.993 179.542 177.584 -0.059 0.000 1.159 107 A CA 1.247 53.242 52.037 -0.072 0.000 0.656 107 A CB -0.447 18.502 19.000 -0.085 0.000 0.800 107 A HN 0.952 nan 8.150 nan 0.000 0.453 108 E N -0.475 119.697 120.200 -0.047 0.000 2.072 108 E HA -0.047 4.329 4.350 0.043 0.000 0.190 108 E C 2.126 178.696 176.600 -0.050 0.000 0.982 108 E CA 1.087 57.465 56.400 -0.037 0.000 0.803 108 E CB -0.150 29.537 29.700 -0.023 0.000 0.755 108 E HN 0.604 nan 8.360 nan 0.000 0.453 109 A N 0.706 123.487 122.820 -0.065 0.000 2.063 109 A HA 0.369 4.715 4.320 0.043 0.000 0.211 109 A C 1.238 178.756 177.584 -0.110 0.000 1.177 109 A CA 0.964 52.947 52.037 -0.091 0.000 0.759 109 A CB 0.037 18.967 19.000 -0.117 0.000 0.857 109 A HN 0.305 nan 8.150 nan 0.000 0.468 110 G N -1.174 107.561 108.800 -0.108 0.000 2.642 110 G HA2 -0.122 3.864 3.960 0.043 0.000 0.231 110 G HA3 -0.122 3.864 3.960 0.043 0.000 0.231 110 G C -0.104 174.712 174.900 -0.140 0.000 1.338 110 G CA -0.368 44.658 45.100 -0.123 0.000 0.883 110 G HN 0.937 nan 8.290 nan 0.000 0.570 111 V N 1.992 121.814 119.914 -0.154 0.000 2.485 111 V HA 0.338 4.484 4.120 0.043 0.000 0.287 111 V C 0.921 176.919 176.094 -0.160 0.000 1.022 111 V CA 0.959 63.161 62.300 -0.164 0.000 1.067 111 V CB 0.706 32.407 31.823 -0.203 0.000 0.967 111 V HN 0.711 nan 8.190 nan 0.000 0.479 112 Q N 2.796 122.495 119.800 -0.168 0.000 2.333 112 Q HA 0.434 4.800 4.340 0.043 0.000 0.266 112 Q C 1.013 176.972 176.000 -0.069 0.000 1.053 112 Q CA -0.974 54.690 55.803 -0.231 0.000 0.890 112 Q CB 1.789 30.131 28.738 -0.659 0.000 1.337 112 Q HN 0.392 nan 8.270 nan 0.000 0.474 113 V N 0.525 120.434 119.914 -0.009 0.000 2.332 113 V HA -0.241 3.905 4.120 0.043 0.000 0.248 113 V C 1.827 178.009 176.094 0.147 0.000 1.055 113 V CA 2.529 64.876 62.300 0.078 0.000 1.038 113 V CB -0.967 30.916 31.823 0.099 0.000 0.651 113 V HN 1.059 nan 8.190 nan 0.000 0.450 114 G N -0.668 108.347 108.800 0.357 0.000 2.443 114 G HA2 -0.195 3.791 3.960 0.043 0.000 0.219 114 G HA3 -0.195 3.791 3.960 0.043 0.000 0.219 114 G C 1.629 176.608 174.900 0.131 0.000 1.131 114 G CA 1.384 46.600 45.100 0.195 0.000 0.775 114 G HN 0.507 nan 8.290 nan 0.000 0.547 115 T N 0.920 115.557 114.554 0.138 0.000 2.737 115 T HA -0.041 4.335 4.350 0.043 0.000 0.265 115 T C 2.173 176.924 174.700 0.086 0.000 1.038 115 T CA 1.138 63.284 62.100 0.078 0.000 1.144 115 T CB -0.099 68.767 68.868 -0.004 0.000 0.866 115 T HN 0.188 nan 8.240 nan 0.000 0.434 116 E N 1.422 121.647 120.200 0.041 0.000 2.077 116 E HA -0.096 4.280 4.350 0.043 0.000 0.193 116 E C 2.482 179.148 176.600 0.110 0.000 0.989 116 E CA 0.939 57.369 56.400 0.051 0.000 0.800 116 E CB -0.218 29.484 29.700 0.002 0.000 0.746 116 E HN 0.477 nan 8.360 nan 0.000 0.452 117 R N 0.445 120.991 120.500 0.078 0.000 2.083 117 R HA -0.095 4.270 4.340 0.043 0.000 0.237 117 R C 2.388 178.726 176.300 0.063 0.000 1.137 117 R CA 1.350 57.485 56.100 0.058 0.000 0.951 117 R CB -0.389 29.929 30.300 0.030 0.000 0.851 117 R HN 0.102 nan 8.270 nan 0.000 0.434 118 A N 1.011 123.875 122.820 0.073 0.000 1.898 118 A HA -0.182 4.164 4.320 0.043 0.000 0.216 118 A C 1.902 179.529 177.584 0.071 0.000 1.181 118 A CA 0.846 52.914 52.037 0.052 0.000 0.620 118 A CB -0.904 18.127 19.000 0.051 0.000 0.819 118 A HN 0.583 nan 8.150 nan 0.000 0.442 119 W N 1.211 122.470 121.300 -0.068 0.000 2.338 119 W HA -0.174 4.512 4.660 0.043 0.000 0.304 119 W C 1.862 178.332 176.519 -0.081 0.000 1.212 119 W CA 2.344 59.631 57.345 -0.097 0.000 1.264 119 W CB -0.675 28.716 29.460 -0.114 0.000 1.142 119 W HN 0.370 nan 8.180 nan 0.000 0.512 120 T N 0.938 115.594 114.554 0.170 0.000 2.746 120 T HA -0.178 4.198 4.350 0.043 0.000 0.267 120 T C 1.862 176.553 174.700 -0.015 0.000 1.039 120 T CA 1.866 64.014 62.100 0.080 0.000 1.142 120 T CB -0.675 68.245 68.868 0.087 0.000 0.866 120 T HN -0.052 nan 8.240 nan 0.000 0.444 121 V N 1.730 121.630 119.914 -0.022 0.000 2.343 121 V HA -0.168 3.978 4.120 0.043 0.000 0.247 121 V C 2.885 178.923 176.094 -0.092 0.000 1.051 121 V CA 1.686 63.957 62.300 -0.048 0.000 1.036 121 V CB -1.214 30.583 31.823 -0.044 0.000 0.654 121 V HN 0.523 nan 8.190 nan 0.000 0.451 122 A N -0.474 122.258 122.820 -0.147 0.000 1.902 122 A HA -0.294 4.052 4.320 0.043 0.000 0.217 122 A C 2.254 179.698 177.584 -0.233 0.000 1.181 122 A CA 2.132 54.039 52.037 -0.216 0.000 0.623 122 A CB -0.541 18.256 19.000 -0.339 0.000 0.818 122 A HN 0.613 nan 8.150 nan 0.000 0.443 123 E N -0.437 119.603 120.200 -0.267 0.000 2.058 123 E HA -0.199 4.177 4.350 0.043 0.000 0.194 123 E C 2.290 178.829 176.600 -0.101 0.000 0.997 123 E CA 1.184 57.465 56.400 -0.198 0.000 0.801 123 E CB -0.085 29.526 29.700 -0.147 0.000 0.746 123 E HN 0.557 nan 8.360 nan 0.000 0.450 124 R N -0.121 120.337 120.500 -0.069 0.000 2.152 124 R HA -0.084 4.282 4.340 0.043 0.000 0.232 124 R C 2.268 178.544 176.300 -0.039 0.000 1.117 124 R CA 0.792 56.871 56.100 -0.036 0.000 0.981 124 R CB -0.162 30.129 30.300 -0.015 0.000 0.870 124 R HN 0.280 nan 8.270 nan 0.000 0.451 125 L N -0.326 120.861 121.223 -0.059 0.000 2.554 125 L HA 0.106 4.472 4.340 0.043 0.000 0.226 125 L C 1.033 177.858 176.870 -0.075 0.000 1.137 125 L CA 0.451 55.259 54.840 -0.054 0.000 0.863 125 L CB 0.079 42.104 42.059 -0.056 0.000 0.985 125 L HN 0.427 nan 8.230 nan 0.000 0.451 126 G N 0.619 109.365 108.800 -0.089 0.000 2.160 126 G HA2 -0.263 3.723 3.960 0.043 0.000 0.244 126 G HA3 -0.263 3.723 3.960 0.043 0.000 0.244 126 G C 0.090 174.919 174.900 -0.119 0.000 1.022 126 G CA -0.217 44.824 45.100 -0.098 0.000 0.741 126 G HN 0.216 nan 8.290 nan 0.000 0.508 127 L N 0.222 121.361 121.223 -0.139 0.000 2.326 127 L HA 0.410 4.776 4.340 0.043 0.000 0.278 127 L C -1.715 175.051 176.870 -0.173 0.000 1.092 127 L CA -2.167 52.584 54.840 -0.149 0.000 0.810 127 L CB 1.139 43.107 42.059 -0.152 0.000 1.153 127 L HN -0.104 nan 8.230 nan 0.000 0.439 128 P HA 0.240 nan 4.420 nan 0.000 0.269 128 P C -1.046 176.158 177.300 -0.160 0.000 1.215 128 P CA -0.179 62.852 63.100 -0.115 0.000 0.780 128 P CB 0.655 32.277 31.700 -0.129 0.000 0.898 129 R N 1.319 121.746 120.500 -0.121 0.000 2.686 129 R HA 0.709 5.075 4.340 0.043 0.000 0.283 129 R C -0.620 175.696 176.300 0.027 0.000 0.978 129 R CA -0.689 55.266 56.100 -0.242 0.000 0.897 129 R CB 1.955 31.706 30.300 -0.915 0.000 1.192 129 R HN 0.482 nan 8.270 nan 0.000 0.457 130 M N 2.376 122.003 119.600 0.046 0.000 2.518 130 M HA 0.548 5.054 4.480 0.043 0.000 0.300 130 M C -1.601 174.791 176.300 0.154 0.000 1.175 130 M CA -0.895 54.486 55.300 0.134 0.000 0.890 130 M CB 2.152 34.804 32.600 0.087 0.000 1.710 130 M HN 0.377 nan 8.290 nan 0.000 0.453 131 V N 3.567 123.586 119.914 0.175 0.000 2.581 131 V HA 0.639 4.785 4.120 0.043 0.000 0.303 131 V C -0.993 175.158 176.094 0.094 0.000 1.041 131 V CA -0.745 61.637 62.300 0.137 0.000 0.907 131 V CB 1.761 33.648 31.823 0.107 0.000 0.994 131 V HN 0.674 nan 8.190 nan 0.000 0.442 132 V N 6.054 126.009 119.914 0.069 0.000 2.444 132 V HA 0.554 4.700 4.120 0.043 0.000 0.294 132 V C -0.554 175.564 176.094 0.040 0.000 1.022 132 V CA -0.312 62.022 62.300 0.057 0.000 0.850 132 V CB 2.042 33.892 31.823 0.045 0.000 0.992 132 V HN 0.628 nan 8.190 nan 0.000 0.426 133 V N 7.230 127.173 119.914 0.048 0.000 2.385 133 V HA 0.479 4.625 4.120 0.043 0.000 0.269 133 V C 0.734 176.822 176.094 -0.010 0.000 1.043 133 V CA 0.237 62.551 62.300 0.023 0.000 0.906 133 V CB 1.350 33.229 31.823 0.093 0.000 0.995 133 V HN 1.061 nan 8.190 nan 0.000 0.467 134 T N 1.295 115.837 114.554 -0.020 0.000 2.937 134 T HA 0.530 4.906 4.350 0.043 0.000 0.283 134 T C 0.298 174.969 174.700 -0.048 0.000 1.012 134 T CA -0.820 61.273 62.100 -0.011 0.000 0.997 134 T CB 1.182 70.059 68.868 0.015 0.000 1.136 134 T HN 0.622 nan 8.240 nan 0.000 0.551 135 K N -0.690 119.710 120.400 -0.000 0.000 3.130 135 K HA -0.168 4.178 4.320 0.043 0.000 0.282 135 K C 0.817 177.376 176.600 -0.069 0.000 1.145 135 K CA 0.545 56.834 56.287 0.004 0.000 0.831 135 K CB -1.581 30.921 32.500 0.003 0.000 1.226 135 K HN 0.483 nan 8.250 nan 0.000 0.478 136 L N 1.993 123.050 121.223 -0.278 0.000 2.265 136 L HA -0.141 4.225 4.340 0.043 0.000 0.215 136 L C 2.047 178.833 176.870 -0.140 0.000 1.117 136 L CA 2.287 56.877 54.840 -0.416 0.000 0.782 136 L CB -0.240 41.174 42.059 -1.075 0.000 0.914 136 L HN 0.304 nan 8.230 nan 0.000 0.441 137 D N -0.966 119.515 120.400 0.135 0.000 2.310 137 D HA -0.240 4.426 4.640 0.043 0.000 0.212 137 D C 1.424 177.822 176.300 0.163 0.000 0.965 137 D CA 0.869 55.058 54.000 0.314 0.000 0.879 137 D CB -0.263 40.758 40.800 0.369 0.000 0.921 137 D HN 0.415 nan 8.370 nan 0.000 0.510 138 K N -0.245 120.210 120.400 0.091 0.000 2.486 138 K HA 0.174 4.520 4.320 0.043 0.000 0.194 138 K C 1.179 177.814 176.600 0.057 0.000 1.033 138 K CA 0.586 56.912 56.287 0.065 0.000 1.004 138 K CB 0.384 32.909 32.500 0.041 0.000 0.798 138 K HN 0.339 nan 8.250 nan 0.000 0.495 139 G N 0.771 109.610 108.800 0.065 0.000 2.192 139 G HA2 -0.177 3.808 3.960 0.043 0.000 0.193 139 G HA3 -0.177 3.808 3.960 0.043 0.000 0.193 139 G C 0.418 175.344 174.900 0.043 0.000 0.999 139 G CA -0.439 44.699 45.100 0.064 0.000 0.659 139 G HN 0.462 nan 8.290 nan 0.000 0.503 140 G N -0.374 108.440 108.800 0.022 0.000 2.683 140 G HA2 0.418 4.404 3.960 0.043 0.000 0.260 140 G HA3 0.418 4.404 3.960 0.043 0.000 0.260 140 G C -0.499 174.428 174.900 0.046 0.000 1.238 140 G CA 0.501 45.610 45.100 0.016 0.000 0.934 140 G HN 0.284 nan 8.290 nan 0.000 0.534 141 D N -1.190 119.236 120.400 0.043 0.000 2.473 141 D HA 0.141 4.807 4.640 0.043 0.000 0.226 141 D C 0.541 176.889 176.300 0.079 0.000 1.089 141 D CA -0.752 53.303 54.000 0.091 0.000 0.883 141 D CB 0.599 41.444 40.800 0.074 0.000 1.029 141 D HN 0.286 nan 8.370 nan 0.000 0.517 142 Y N 3.749 124.008 120.300 -0.068 0.000 2.224 142 Y HA -0.256 4.320 4.550 0.043 0.000 0.289 142 Y C 0.944 176.664 175.900 -0.299 0.000 1.146 142 Y CA 1.755 59.704 58.100 -0.252 0.000 1.182 142 Y CB -0.095 38.110 38.460 -0.424 0.000 0.983 142 Y HN 0.482 nan 8.280 nan 0.000 0.524 143 Y N -1.006 119.355 120.300 0.102 0.000 2.242 143 Y HA -0.135 4.442 4.550 0.043 0.000 0.291 143 Y C 2.585 178.485 175.900 0.000 0.000 1.137 143 Y CA 1.109 59.249 58.100 0.067 0.000 1.181 143 Y CB -0.891 37.659 38.460 0.149 0.000 0.989 143 Y HN 0.170 nan 8.280 nan 0.000 0.527 144 A N -0.236 122.651 122.820 0.110 0.000 1.930 144 A HA -0.137 4.209 4.320 0.043 0.000 0.217 144 A C 2.128 179.680 177.584 -0.053 0.000 1.175 144 A CA 1.359 53.419 52.037 0.037 0.000 0.627 144 A CB -0.925 18.095 19.000 0.032 0.000 0.815 144 A HN 0.428 nan 8.150 nan 0.000 0.443 145 L N -0.080 121.063 121.223 -0.133 0.000 2.046 145 L HA -0.097 4.269 4.340 0.043 0.000 0.208 145 L C 2.223 178.944 176.870 -0.249 0.000 1.077 145 L CA 1.637 56.350 54.840 -0.210 0.000 0.747 145 L CB -0.509 41.375 42.059 -0.291 0.000 0.896 145 L HN 0.396 nan 8.230 nan 0.000 0.432 146 L N -0.652 120.375 121.223 -0.325 0.000 2.042 146 L HA -0.233 4.133 4.340 0.043 0.000 0.210 146 L C 2.552 179.376 176.870 -0.077 0.000 1.076 146 L CA 1.660 56.363 54.840 -0.228 0.000 0.749 146 L CB -0.681 41.270 42.059 -0.180 0.000 0.893 146 L HN 0.390 nan 8.230 nan 0.000 0.432 147 E N -0.056 120.126 120.200 -0.030 0.000 2.077 147 E HA -0.214 4.162 4.350 0.043 0.000 0.193 147 E C 1.717 178.293 176.600 -0.041 0.000 0.989 147 E CA 1.251 57.647 56.400 -0.006 0.000 0.800 147 E CB -0.071 29.639 29.700 0.017 0.000 0.746 147 E HN 0.489 nan 8.360 nan 0.000 0.452 148 D N 0.793 121.151 120.400 -0.069 0.000 2.144 148 D HA -0.108 4.558 4.640 0.043 0.000 0.200 148 D C 2.076 178.308 176.300 -0.113 0.000 0.978 148 D CA 0.719 54.668 54.000 -0.086 0.000 0.833 148 D CB -0.163 40.578 40.800 -0.098 0.000 0.961 148 D HN 0.143 nan 8.370 nan 0.000 0.470 149 L N 0.265 121.409 121.223 -0.133 0.000 2.046 149 L HA -0.105 4.261 4.340 0.043 0.000 0.208 149 L C 2.619 179.422 176.870 -0.111 0.000 1.077 149 L CA 0.892 55.636 54.840 -0.160 0.000 0.747 149 L CB -0.257 41.706 42.059 -0.159 0.000 0.896 149 L HN -0.038 nan 8.230 nan 0.000 0.432 150 R N -0.221 120.246 120.500 -0.055 0.000 2.081 150 R HA -0.144 4.222 4.340 0.043 0.000 0.235 150 R C 2.410 178.695 176.300 -0.024 0.000 1.131 150 R CA 1.724 57.817 56.100 -0.011 0.000 0.960 150 R CB -0.059 30.248 30.300 0.010 0.000 0.856 150 R HN 0.207 nan 8.270 nan 0.000 0.436 151 S N -0.643 115.031 115.700 -0.043 0.000 2.382 151 S HA -0.090 4.405 4.470 0.043 0.000 0.228 151 S C 1.695 176.257 174.600 -0.062 0.000 1.027 151 S CA 1.757 59.932 58.200 -0.042 0.000 0.991 151 S CB -0.006 63.167 63.200 -0.045 0.000 0.823 151 S HN 0.470 nan 8.310 nan 0.000 0.469 152 T N 1.668 116.157 114.554 -0.108 0.000 2.983 152 T HA 0.271 4.647 4.350 0.043 0.000 0.250 152 T C 1.576 176.148 174.700 -0.212 0.000 1.037 152 T CA 0.558 62.564 62.100 -0.157 0.000 1.142 152 T CB -0.046 68.698 68.868 -0.207 0.000 0.876 152 T HN 0.230 nan 8.240 nan 0.000 0.455 153 L N -0.177 120.895 121.223 -0.252 0.000 2.515 153 L HA 0.405 4.771 4.340 0.043 0.000 0.223 153 L C 1.710 178.636 176.870 0.093 0.000 1.079 153 L CA 0.234 54.897 54.840 -0.295 0.000 0.857 153 L CB -0.340 41.317 42.059 -0.670 0.000 1.050 153 L HN 0.501 nan 8.230 nan 0.000 0.476 154 G N 0.943 109.799 108.800 0.094 0.000 2.709 154 G HA2 -0.193 3.793 3.960 0.043 0.000 0.228 154 G HA3 -0.193 3.793 3.960 0.043 0.000 0.228 154 G C -2.239 172.759 174.900 0.164 0.000 1.215 154 G CA -0.184 45.012 45.100 0.161 0.000 1.003 154 G HN 0.046 nan 8.290 nan 0.000 0.584 155 P HA 0.308 nan 4.420 nan 0.000 0.235 155 P C 0.566 177.897 177.300 0.052 0.000 1.720 155 P CA 0.089 63.198 63.100 0.015 0.000 1.003 155 P CB -1.266 30.358 31.700 -0.127 0.000 1.968 156 I N -1.547 119.126 120.570 0.171 0.000 2.882 156 I HA 0.363 4.559 4.170 0.043 0.000 0.286 156 I C -0.077 176.129 176.117 0.149 0.000 1.139 156 I CA -0.739 60.687 61.300 0.209 0.000 1.379 156 I CB 0.385 38.482 38.000 0.161 0.000 1.410 156 I HN -0.095 nan 8.210 nan 0.000 0.594 157 L N 5.530 126.859 121.223 0.177 0.000 2.471 157 L HA 0.596 4.962 4.340 0.043 0.000 0.263 157 L C -2.637 174.340 176.870 0.177 0.000 0.985 157 L CA -1.638 53.308 54.840 0.177 0.000 0.868 157 L CB 1.372 43.559 42.059 0.213 0.000 1.203 157 L HN 0.431 nan 8.230 nan 0.000 0.429 158 P HA 0.154 nan 4.420 nan 0.000 0.270 158 P C 0.341 177.716 177.300 0.124 0.000 1.242 158 P CA -0.048 63.138 63.100 0.143 0.000 0.768 158 P CB 0.614 32.401 31.700 0.146 0.000 0.820 159 I N 1.218 121.852 120.570 0.107 0.000 2.731 159 I HA 0.117 4.313 4.170 0.043 0.000 0.260 159 I C 0.591 176.754 176.117 0.078 0.000 1.138 159 I CA 1.335 62.682 61.300 0.078 0.000 1.461 159 I CB -0.406 37.640 38.000 0.076 0.000 1.128 159 I HN 0.266 nan 8.210 nan 0.000 0.438 160 D N 0.888 121.330 120.400 0.070 0.000 2.433 160 D HA 0.615 5.281 4.640 0.043 0.000 0.236 160 D C -0.373 175.887 176.300 -0.068 0.000 1.026 160 D CA -0.270 53.746 54.000 0.026 0.000 0.884 160 D CB 3.145 43.955 40.800 0.018 0.000 1.384 160 D HN -0.129 nan 8.370 nan 0.000 0.477 161 L N 1.255 122.396 121.223 -0.138 0.000 2.333 161 L HA 0.455 4.820 4.340 0.043 0.000 0.263 161 L C -2.435 174.256 176.870 -0.299 0.000 1.014 161 L CA -2.023 52.644 54.840 -0.288 0.000 0.820 161 L CB 2.803 44.788 42.059 -0.124 0.000 1.352 161 L HN 0.072 nan 8.230 nan 0.000 0.421 162 P HA 0.155 nan 4.420 nan 0.000 0.279 162 P C -1.074 176.161 177.300 -0.109 0.000 1.239 162 P CA -0.444 62.457 63.100 -0.331 0.000 0.789 162 P CB 1.598 32.870 31.700 -0.714 0.000 0.933 163 L N 5.088 126.300 121.223 -0.020 0.000 2.264 163 L HA 0.414 4.780 4.340 0.043 0.000 0.289 163 L C -1.071 175.770 176.870 -0.048 0.000 1.044 163 L CA -0.526 54.327 54.840 0.021 0.000 0.807 163 L CB -0.077 42.008 42.059 0.044 0.000 1.192 163 L HN 0.219 nan 8.230 nan 0.000 0.425 164 Y N 2.863 123.261 120.300 0.162 0.000 2.487 164 Y HA 0.597 5.173 4.550 0.043 0.000 0.337 164 Y C -0.187 175.769 175.900 0.092 0.000 1.076 164 Y CA -0.650 57.541 58.100 0.151 0.000 1.115 164 Y CB 1.812 40.355 38.460 0.140 0.000 1.235 164 Y HN 0.511 nan 8.280 nan 0.000 0.468 165 E N 0.672 121.028 120.200 0.260 0.000 2.255 165 E HA 0.385 4.761 4.350 0.043 0.000 0.256 165 E C -0.182 176.503 176.600 0.142 0.000 0.887 165 E CA -0.457 56.034 56.400 0.150 0.000 0.782 165 E CB 1.580 31.335 29.700 0.090 0.000 1.214 165 E HN 0.919 nan 8.360 nan 0.000 0.417 166 G N 2.410 111.275 108.800 0.108 0.000 2.356 166 G HA2 -0.262 3.724 3.960 0.043 0.000 0.296 166 G HA3 -0.262 3.724 3.960 0.043 0.000 0.296 166 G C 0.928 175.879 174.900 0.085 0.000 1.022 166 G CA 0.792 45.938 45.100 0.076 0.000 0.961 166 G HN 1.150 nan 8.290 nan 0.000 0.510 167 G N -1.149 107.708 108.800 0.096 0.000 2.205 167 G HA2 -0.295 3.691 3.960 0.043 0.000 0.261 167 G HA3 -0.295 3.691 3.960 0.043 0.000 0.261 167 G C 0.435 175.473 174.900 0.230 0.000 0.980 167 G CA 1.383 46.522 45.100 0.065 0.000 0.632 167 G HN 1.410 nan 8.290 nan 0.000 0.533 168 K N -0.099 120.479 120.400 0.296 0.000 2.183 168 K HA 0.433 4.779 4.320 0.043 0.000 0.274 168 K C -0.228 176.624 176.600 0.419 0.000 1.009 168 K CA -1.221 55.256 56.287 0.316 0.000 0.888 168 K CB 0.545 33.147 32.500 0.170 0.000 1.078 168 K HN 0.120 nan 8.250 nan 0.000 0.459 169 W N 5.930 127.319 121.300 0.148 0.000 2.356 169 W HA 0.172 4.858 4.660 0.043 0.000 0.311 169 W C 0.169 176.628 176.519 -0.101 0.000 1.328 169 W CA -0.408 56.825 57.345 -0.187 0.000 1.251 169 W CB 0.557 29.883 29.460 -0.223 0.000 1.280 169 W HN 0.359 nan 8.180 nan 0.000 0.524 170 V N 4.297 124.000 119.914 -0.352 0.000 3.451 170 V HA 0.719 4.865 4.120 0.043 0.000 0.288 170 V C 0.490 176.370 176.094 -0.357 0.000 1.502 170 V CA 0.571 62.659 62.300 -0.354 0.000 1.026 170 V CB -0.135 31.629 31.823 -0.099 0.000 0.840 170 V HN 0.868 nan 8.190 nan 0.000 0.437 171 G N 0.194 108.741 108.800 -0.422 0.000 2.435 171 G HA2 0.547 4.533 3.960 0.043 0.000 0.296 171 G HA3 0.547 4.533 3.960 0.043 0.000 0.296 171 G C -2.052 172.911 174.900 0.104 0.000 1.240 171 G CA -0.649 44.417 45.100 -0.056 0.000 0.872 171 G HN 0.237 nan 8.290 nan 0.000 0.480 172 L N 0.119 121.471 121.223 0.216 0.000 2.370 172 L HA 0.657 5.023 4.340 0.043 0.000 0.266 172 L C -0.810 176.176 176.870 0.192 0.000 1.002 172 L CA -0.847 54.114 54.840 0.201 0.000 0.818 172 L CB 2.455 44.658 42.059 0.239 0.000 1.325 172 L HN 0.359 nan 8.230 nan 0.000 0.418 173 I N 1.696 122.339 120.570 0.123 0.000 2.355 173 I HA 0.172 4.368 4.170 0.043 0.000 0.288 173 I C -0.402 175.802 176.117 0.144 0.000 0.999 173 I CA -0.288 61.081 61.300 0.116 0.000 1.163 173 I CB 1.678 39.724 38.000 0.076 0.000 1.316 173 I HN 0.573 nan 8.210 nan 0.000 0.454 174 D N 6.721 127.256 120.400 0.225 0.000 2.365 174 D HA 0.086 4.752 4.640 0.043 0.000 0.237 174 D C 1.087 177.510 176.300 0.205 0.000 1.190 174 D CA -0.155 53.994 54.000 0.248 0.000 0.867 174 D CB 1.590 42.623 40.800 0.388 0.000 1.050 174 D HN 0.275 nan 8.370 nan 0.000 0.491 175 V N 5.109 125.112 119.914 0.148 0.000 2.252 175 V HA -0.286 3.860 4.120 0.043 0.000 0.249 175 V C 2.138 178.296 176.094 0.106 0.000 1.056 175 V CA 1.593 63.970 62.300 0.129 0.000 1.022 175 V CB -0.847 31.056 31.823 0.134 0.000 0.641 175 V HN 0.605 nan 8.190 nan 0.000 0.445 176 F N 0.553 120.453 119.950 -0.083 0.000 2.091 176 F HA -0.245 4.308 4.527 0.044 0.000 0.299 176 F C 2.513 178.144 175.800 -0.282 0.000 1.103 176 F CA 2.244 60.094 58.000 -0.249 0.000 1.228 176 F CB -0.281 38.434 39.000 -0.474 0.000 0.984 176 F HN 0.295 nan 8.300 nan 0.000 0.477 177 H N -0.546 118.676 119.070 0.255 0.000 2.553 177 H HA 0.243 4.825 4.556 0.043 0.000 0.265 177 H C 1.797 177.163 175.328 0.064 0.000 0.964 177 H CA 0.722 56.862 56.048 0.154 0.000 1.156 177 H CB -0.477 29.436 29.762 0.252 0.000 1.411 177 H HN 0.376 nan 8.280 nan 0.000 0.558 178 G N 1.867 110.748 108.800 0.135 0.000 2.295 178 G HA2 -0.295 3.690 3.960 0.043 0.000 0.287 178 G HA3 -0.295 3.690 3.960 0.043 0.000 0.287 178 G C -0.098 174.844 174.900 0.071 0.000 1.055 178 G CA 0.356 45.504 45.100 0.080 0.000 0.922 178 G HN 0.352 nan 8.290 nan 0.000 0.503 179 K N -0.746 119.712 120.400 0.097 0.000 2.385 179 K HA 0.832 5.178 4.320 0.043 0.000 0.248 179 K C -0.077 176.438 176.600 -0.143 0.000 0.955 179 K CA -0.268 55.993 56.287 -0.043 0.000 0.816 179 K CB 2.329 34.826 32.500 -0.005 0.000 1.250 179 K HN 0.620 nan 8.250 nan 0.000 0.434 180 A N 1.561 124.130 122.820 -0.418 0.000 2.423 180 A HA 0.792 5.138 4.320 0.043 0.000 0.304 180 A C -1.815 175.290 177.584 -0.798 0.000 1.104 180 A CA -0.604 51.220 52.037 -0.355 0.000 0.757 180 A CB 0.825 19.740 19.000 -0.142 0.000 1.313 180 A HN 0.628 nan 8.150 nan 0.000 0.423 181 Y N 0.207 120.508 120.300 0.002 0.000 2.433 181 Y HA 0.575 5.151 4.550 0.044 0.000 0.337 181 Y C 0.360 176.208 175.900 -0.087 0.000 1.026 181 Y CA -0.688 57.366 58.100 -0.076 0.000 1.037 181 Y CB 1.933 40.337 38.460 -0.094 0.000 1.245 181 Y HN 0.887 nan 8.280 nan 0.000 0.443 182 R N 1.041 121.500 120.500 -0.068 0.000 2.732 182 R HA 0.737 5.103 4.340 0.043 0.000 0.278 182 R C -1.935 174.225 176.300 -0.233 0.000 0.976 182 R CA -0.897 55.170 56.100 -0.056 0.000 0.963 182 R CB 1.546 31.817 30.300 -0.048 0.000 1.150 182 R HN 0.588 nan 8.270 nan 0.000 0.478 183 Y N -0.050 120.183 120.300 -0.111 0.000 2.429 183 Y HA 0.400 4.976 4.550 0.043 0.000 0.342 183 Y C -0.358 175.479 175.900 -0.104 0.000 1.004 183 Y CA -0.799 57.235 58.100 -0.110 0.000 1.075 183 Y CB 2.600 40.956 38.460 -0.172 0.000 1.214 183 Y HN 0.566 nan 8.280 nan 0.000 0.455 184 E N 2.840 123.072 120.200 0.053 0.000 2.281 184 E HA 0.227 4.603 4.350 0.043 0.000 0.266 184 E C -1.046 175.576 176.600 0.037 0.000 0.893 184 E CA -0.640 55.774 56.400 0.023 0.000 0.798 184 E CB 1.210 30.909 29.700 -0.002 0.000 1.245 184 E HN 0.708 nan 8.360 nan 0.000 0.410 185 N N 1.970 120.689 118.700 0.032 0.000 2.740 185 N HA -0.227 4.539 4.740 0.043 0.000 0.248 185 N C 0.727 176.281 175.510 0.074 0.000 1.062 185 N CA 1.259 54.331 53.050 0.037 0.000 0.704 185 N CB -1.295 37.210 38.487 0.030 0.000 0.968 185 N HN 1.043 nan 8.380 nan 0.000 0.547 186 G N -1.271 107.591 108.800 0.105 0.000 2.189 186 G HA2 -0.345 3.641 3.960 0.043 0.000 0.267 186 G HA3 -0.345 3.641 3.960 0.043 0.000 0.267 186 G C -0.186 174.851 174.900 0.228 0.000 0.975 186 G CA 0.842 46.041 45.100 0.166 0.000 0.644 186 G HN 0.465 nan 8.290 nan 0.000 0.537 187 E N 0.752 121.035 120.200 0.139 0.000 2.175 187 E HA 0.436 4.812 4.350 0.043 0.000 0.278 187 E C 0.109 176.628 176.600 -0.134 0.000 0.969 187 E CA -0.499 55.921 56.400 0.033 0.000 0.796 187 E CB 1.592 31.298 29.700 0.009 0.000 1.104 187 E HN 0.623 nan 8.360 nan 0.000 0.395 188 E N 3.394 123.422 120.200 -0.288 0.000 2.216 188 E HA 0.293 4.669 4.350 0.043 0.000 0.279 188 E C -0.623 175.818 176.600 -0.265 0.000 0.997 188 E CA -0.626 55.413 56.400 -0.601 0.000 0.817 188 E CB 0.756 30.044 29.700 -0.687 0.000 1.096 188 E HN 0.181 nan 8.360 nan 0.000 0.393 189 R N 3.018 123.387 120.500 -0.218 0.000 2.673 189 R HA 0.213 4.579 4.340 0.043 0.000 0.281 189 R C -0.808 175.469 176.300 -0.038 0.000 0.991 189 R CA -0.783 55.270 56.100 -0.079 0.000 0.896 189 R CB 1.599 31.852 30.300 -0.077 0.000 1.201 189 R HN 0.735 nan 8.270 nan 0.000 0.457 190 E N 1.106 121.300 120.200 -0.010 0.000 2.398 190 E HA 0.383 4.759 4.350 0.043 0.000 0.263 190 E C -0.864 175.630 176.600 -0.178 0.000 1.046 190 E CA -0.015 56.280 56.400 -0.174 0.000 0.908 190 E CB 0.849 30.455 29.700 -0.157 0.000 0.963 190 E HN 0.624 nan 8.360 nan 0.000 0.431 191 A N 3.869 126.539 122.820 -0.250 0.000 2.485 191 A HA 0.435 4.781 4.320 0.043 0.000 0.292 191 A C -1.019 176.475 177.584 -0.151 0.000 1.147 191 A CA -0.826 51.121 52.037 -0.150 0.000 0.750 191 A CB 1.326 20.262 19.000 -0.107 0.000 1.331 191 A HN 0.640 nan 8.150 nan 0.000 0.419 192 E N 0.244 120.393 120.200 -0.086 0.000 2.313 192 E HA 0.360 4.736 4.350 0.043 0.000 0.272 192 E C -0.591 175.982 176.600 -0.044 0.000 1.038 192 E CA -0.456 55.905 56.400 -0.064 0.000 0.863 192 E CB 1.633 31.312 29.700 -0.035 0.000 1.060 192 E HN 0.329 nan 8.360 nan 0.000 0.402 193 V N 4.639 124.534 119.914 -0.031 0.000 2.479 193 V HA 0.062 4.208 4.120 0.043 0.000 0.281 193 V C -2.032 174.072 176.094 0.016 0.000 1.031 193 V CA -1.303 60.997 62.300 0.001 0.000 1.038 193 V CB 0.381 32.213 31.823 0.014 0.000 0.981 193 V HN 0.474 nan 8.190 nan 0.000 0.478 194 P HA 0.089 nan 4.420 nan 0.000 0.264 194 P C -2.001 175.319 177.300 0.034 0.000 1.183 194 P CA -0.889 62.233 63.100 0.037 0.000 0.763 194 P CB 0.127 31.863 31.700 0.060 0.000 0.807 195 P HA -0.209 nan 4.420 nan 0.000 0.215 195 P C 0.958 178.272 177.300 0.024 0.000 1.157 195 P CA 1.643 64.756 63.100 0.020 0.000 0.874 195 P CB -0.136 31.573 31.700 0.015 0.000 0.790 196 E N -0.804 119.412 120.200 0.025 0.000 2.409 196 E HA -0.140 4.236 4.350 0.043 0.000 0.198 196 E C 1.509 178.126 176.600 0.028 0.000 1.024 196 E CA 0.590 57.003 56.400 0.022 0.000 0.861 196 E CB -0.238 29.474 29.700 0.019 0.000 0.788 196 E HN 0.402 nan 8.360 nan 0.000 0.521 197 E N 0.059 120.286 120.200 0.044 0.000 2.431 197 E HA 0.064 4.440 4.350 0.043 0.000 0.200 197 E C 1.641 178.283 176.600 0.069 0.000 0.995 197 E CA -0.056 56.381 56.400 0.062 0.000 0.915 197 E CB 0.255 30.010 29.700 0.091 0.000 0.930 197 E HN 0.202 nan 8.360 nan 0.000 0.496 198 R N 1.273 121.805 120.500 0.053 0.000 2.103 198 R HA -0.151 4.215 4.340 0.043 0.000 0.242 198 R C 2.083 178.418 176.300 0.058 0.000 1.142 198 R CA 1.456 57.587 56.100 0.052 0.000 0.960 198 R CB -0.127 30.193 30.300 0.034 0.000 0.858 198 R HN 0.235 nan 8.270 nan 0.000 0.439 199 E N 0.062 120.290 120.200 0.046 0.000 2.077 199 E HA -0.218 4.158 4.350 0.043 0.000 0.193 199 E C 2.126 178.766 176.600 0.068 0.000 0.989 199 E CA 0.894 57.320 56.400 0.042 0.000 0.800 199 E CB -0.116 29.599 29.700 0.023 0.000 0.746 199 E HN 0.262 nan 8.360 nan 0.000 0.452 200 R N 0.930 121.485 120.500 0.092 0.000 2.075 200 R HA -0.104 4.262 4.340 0.043 0.000 0.232 200 R C 2.297 178.781 176.300 0.306 0.000 1.126 200 R CA 0.863 57.065 56.100 0.170 0.000 0.963 200 R CB -0.074 30.317 30.300 0.151 0.000 0.858 200 R HN -0.013 nan 8.270 nan 0.000 0.435 201 V N 1.095 121.148 119.914 0.233 0.000 2.343 201 V HA -0.253 3.893 4.120 0.043 0.000 0.247 201 V C 2.471 178.688 176.094 0.205 0.000 1.051 201 V CA 1.672 64.114 62.300 0.236 0.000 1.036 201 V CB -0.497 31.412 31.823 0.143 0.000 0.654 201 V HN 0.411 nan 8.190 nan 0.000 0.451 202 Q N -0.146 119.730 119.800 0.128 0.000 2.084 202 Q HA -0.199 4.167 4.340 0.043 0.000 0.202 202 Q C 2.421 178.466 176.000 0.075 0.000 0.978 202 Q CA 1.680 57.530 55.803 0.079 0.000 0.844 202 Q CB -0.386 28.380 28.738 0.045 0.000 0.898 202 Q HN 0.586 nan 8.270 nan 0.000 0.426 203 R N -0.765 119.777 120.500 0.071 0.000 2.073 203 R HA -0.134 4.232 4.340 0.043 0.000 0.234 203 R C 2.185 178.462 176.300 -0.038 0.000 1.134 203 R CA 1.312 57.403 56.100 -0.015 0.000 0.952 203 R CB -0.289 29.963 30.300 -0.080 0.000 0.850 203 R HN 0.171 nan 8.270 nan 0.000 0.433 204 F N 0.592 120.580 119.950 0.064 0.000 2.171 204 F HA -0.108 4.445 4.527 0.043 0.000 0.300 204 F C 2.748 178.578 175.800 0.048 0.000 1.090 204 F CA 1.614 59.660 58.000 0.076 0.000 1.293 204 F CB -0.265 38.808 39.000 0.122 0.000 1.013 204 F HN 0.049 nan 8.300 nan 0.000 0.486 205 R N 0.464 121.083 120.500 0.199 0.000 2.081 205 R HA -0.190 4.176 4.340 0.043 0.000 0.235 205 R C 2.087 178.406 176.300 0.031 0.000 1.131 205 R CA 1.745 57.896 56.100 0.085 0.000 0.960 205 R CB -0.253 30.057 30.300 0.016 0.000 0.856 205 R HN 0.346 nan 8.270 nan 0.000 0.436 206 Q N 0.051 119.864 119.800 0.021 0.000 2.084 206 Q HA -0.191 4.175 4.340 0.043 0.000 0.202 206 Q C 1.949 177.943 176.000 -0.010 0.000 0.978 206 Q CA 1.864 57.667 55.803 0.000 0.000 0.844 206 Q CB -0.044 28.696 28.738 0.003 0.000 0.898 206 Q HN 0.517 nan 8.270 nan 0.000 0.426 207 E N 0.120 120.316 120.200 -0.008 0.000 2.110 207 E HA -0.149 4.227 4.350 0.043 0.000 0.193 207 E C 2.101 178.715 176.600 0.023 0.000 0.988 207 E CA 1.161 57.553 56.400 -0.013 0.000 0.804 207 E CB 0.067 29.736 29.700 -0.052 0.000 0.745 207 E HN 0.105 nan 8.360 nan 0.000 0.458 208 V N 1.363 121.317 119.914 0.067 0.000 2.307 208 V HA -0.247 3.899 4.120 0.043 0.000 0.245 208 V C 2.283 178.402 176.094 0.042 0.000 1.045 208 V CA 1.394 63.743 62.300 0.081 0.000 1.024 208 V CB -0.382 31.512 31.823 0.118 0.000 0.651 208 V HN 0.268 nan 8.190 nan 0.000 0.449 209 L N -0.361 120.866 121.223 0.007 0.000 1.989 209 L HA -0.236 4.129 4.340 0.043 0.000 0.211 209 L C 2.624 179.421 176.870 -0.123 0.000 1.071 209 L CA 1.940 56.754 54.840 -0.044 0.000 0.749 209 L CB -0.678 41.331 42.059 -0.082 0.000 0.890 209 L HN 0.391 nan 8.230 nan 0.000 0.431 210 E N -0.073 120.041 120.200 -0.142 0.000 2.077 210 E HA -0.235 4.141 4.350 0.043 0.000 0.193 210 E C 2.256 178.795 176.600 -0.102 0.000 0.989 210 E CA 1.168 57.458 56.400 -0.182 0.000 0.800 210 E CB -0.170 29.463 29.700 -0.112 0.000 0.746 210 E HN 0.516 nan 8.360 nan 0.000 0.452 211 A N 1.031 123.828 122.820 -0.039 0.000 1.933 211 A HA -0.157 4.189 4.320 0.043 0.000 0.218 211 A C 2.133 179.718 177.584 0.002 0.000 1.175 211 A CA 1.015 53.047 52.037 -0.009 0.000 0.628 211 A CB -0.460 18.555 19.000 0.025 0.000 0.814 211 A HN 0.131 nan 8.150 nan 0.000 0.444 212 I N -0.799 119.783 120.570 0.020 0.000 2.233 212 I HA -0.169 4.027 4.170 0.043 0.000 0.243 212 I C 2.338 178.459 176.117 0.007 0.000 1.093 212 I CA 0.858 62.190 61.300 0.054 0.000 1.380 212 I CB -0.362 37.701 38.000 0.105 0.000 1.067 212 I HN 0.129 nan 8.210 nan 0.000 0.413 213 V N 0.993 120.874 119.914 -0.055 0.000 2.324 213 V HA -0.315 3.831 4.120 0.043 0.000 0.250 213 V C 2.251 178.316 176.094 -0.048 0.000 1.060 213 V CA 2.015 64.265 62.300 -0.084 0.000 1.042 213 V CB -0.697 30.972 31.823 -0.256 0.000 0.650 213 V HN 0.451 nan 8.190 nan 0.000 0.450 214 E N 0.003 120.172 120.200 -0.052 0.000 2.333 214 E HA -0.176 4.200 4.350 0.043 0.000 0.198 214 E C 2.016 178.608 176.600 -0.014 0.000 1.007 214 E CA 1.504 57.888 56.400 -0.026 0.000 0.845 214 E CB -0.167 29.517 29.700 -0.027 0.000 0.766 214 E HN 0.843 nan 8.360 nan 0.000 0.507 215 T N -2.235 112.312 114.554 -0.012 0.000 3.107 215 T HA 0.004 4.379 4.350 0.043 0.000 0.249 215 T C 0.346 175.044 174.700 -0.004 0.000 1.096 215 T CA -0.188 61.904 62.100 -0.013 0.000 1.012 215 T CB 0.360 69.216 68.868 -0.020 0.000 0.977 215 T HN -0.108 nan 8.240 nan 0.000 0.527 216 D N 0.655 121.059 120.400 0.006 0.000 2.549 216 D HA 0.198 4.864 4.640 0.043 0.000 0.251 216 D C 0.419 176.731 176.300 0.020 0.000 1.153 216 D CA -0.275 53.734 54.000 0.015 0.000 0.861 216 D CB 1.990 42.806 40.800 0.027 0.000 1.207 216 D HN 0.180 nan 8.370 nan 0.000 0.543 217 E N 1.997 122.207 120.200 0.018 0.000 2.097 217 E HA -0.171 4.205 4.350 0.043 0.000 0.196 217 E C 1.824 178.442 176.600 0.030 0.000 1.000 217 E CA 1.283 57.696 56.400 0.021 0.000 0.804 217 E CB 0.132 29.842 29.700 0.016 0.000 0.740 217 E HN 0.670 nan 8.360 nan 0.000 0.454 218 G N 1.244 110.063 108.800 0.032 0.000 2.433 218 G HA2 -0.236 3.750 3.960 0.043 0.000 0.216 218 G HA3 -0.236 3.750 3.960 0.043 0.000 0.216 218 G C 1.565 176.496 174.900 0.051 0.000 1.186 218 G CA 0.514 45.637 45.100 0.038 0.000 0.779 218 G HN 0.092 nan 8.290 nan 0.000 0.543 219 L N -0.313 120.942 121.223 0.053 0.000 2.141 219 L HA 0.032 4.398 4.340 0.043 0.000 0.209 219 L C 2.670 179.592 176.870 0.088 0.000 1.094 219 L CA 0.175 55.056 54.840 0.070 0.000 0.763 219 L CB -0.369 41.722 42.059 0.053 0.000 0.908 219 L HN 0.186 nan 8.230 nan 0.000 0.437 220 L N 0.429 121.690 121.223 0.063 0.000 2.093 220 L HA -0.204 4.161 4.340 0.043 0.000 0.208 220 L C 2.439 179.369 176.870 0.099 0.000 1.085 220 L CA 1.773 56.659 54.840 0.075 0.000 0.755 220 L CB -0.549 41.536 42.059 0.044 0.000 0.904 220 L HN 0.279 nan 8.230 nan 0.000 0.435 221 E N -0.542 119.701 120.200 0.073 0.000 2.051 221 E HA -0.250 4.125 4.350 0.043 0.000 0.192 221 E C 2.096 178.739 176.600 0.072 0.000 0.991 221 E CA 1.394 57.830 56.400 0.061 0.000 0.799 221 E CB -0.039 29.688 29.700 0.044 0.000 0.748 221 E HN 0.492 nan 8.360 nan 0.000 0.449 222 K N -0.535 119.918 120.400 0.087 0.000 2.057 222 K HA -0.188 4.158 4.320 0.043 0.000 0.207 222 K C 2.156 178.820 176.600 0.106 0.000 1.049 222 K CA 1.364 57.703 56.287 0.087 0.000 0.931 222 K CB -0.325 32.233 32.500 0.097 0.000 0.714 222 K HN 0.223 nan 8.250 nan 0.000 0.440 223 Y N 1.674 121.983 120.300 0.015 0.000 2.242 223 Y HA -0.120 4.456 4.550 0.043 0.000 0.291 223 Y C 1.907 177.813 175.900 0.009 0.000 1.137 223 Y CA 1.071 59.179 58.100 0.013 0.000 1.181 223 Y CB -0.113 38.356 38.460 0.015 0.000 0.989 223 Y HN -0.050 nan 8.280 nan 0.000 0.527 224 L N -0.511 120.774 121.223 0.104 0.000 2.083 224 L HA -0.219 4.147 4.340 0.043 0.000 0.209 224 L C 2.014 178.873 176.870 -0.018 0.000 1.083 224 L CA 1.715 56.579 54.840 0.040 0.000 0.752 224 L CB -0.432 41.658 42.059 0.052 0.000 0.899 224 L HN 0.251 nan 8.230 nan 0.000 0.433 225 E N -0.396 119.794 120.200 -0.016 0.000 2.230 225 E HA 0.023 4.399 4.350 0.043 0.000 0.192 225 E C 1.278 177.839 176.600 -0.065 0.000 0.987 225 E CA 0.588 56.971 56.400 -0.029 0.000 0.841 225 E CB 0.146 29.841 29.700 -0.008 0.000 0.783 225 E HN 0.529 nan 8.360 nan 0.000 0.481 226 G N 1.884 110.617 108.800 -0.113 0.000 2.141 226 G HA2 -0.229 3.757 3.960 0.043 0.000 0.195 226 G HA3 -0.229 3.757 3.960 0.043 0.000 0.195 226 G C -0.212 174.629 174.900 -0.098 0.000 1.012 226 G CA -0.168 44.837 45.100 -0.160 0.000 0.696 226 G HN 0.183 nan 8.290 nan 0.000 0.508 227 E N 0.236 120.405 120.200 -0.052 0.000 2.345 227 E HA 0.439 4.815 4.350 0.043 0.000 0.259 227 E C 0.729 177.336 176.600 0.011 0.000 1.117 227 E CA -0.273 56.121 56.400 -0.010 0.000 0.913 227 E CB 0.610 30.319 29.700 0.016 0.000 1.057 227 E HN 0.633 nan 8.360 nan 0.000 0.432 228 E N -0.127 120.088 120.200 0.026 0.000 2.331 228 E HA 0.261 4.637 4.350 0.043 0.000 0.272 228 E C -1.074 175.573 176.600 0.078 0.000 1.036 228 E CA -0.571 55.858 56.400 0.048 0.000 0.864 228 E CB 1.085 30.807 29.700 0.037 0.000 1.035 228 E HN 0.002 nan 8.360 nan 0.000 0.408 229 V N 3.909 123.888 119.914 0.107 0.000 2.384 229 V HA 0.253 4.399 4.120 0.043 0.000 0.287 229 V C 0.346 176.498 176.094 0.096 0.000 1.020 229 V CA -0.450 61.918 62.300 0.113 0.000 0.850 229 V CB 1.297 33.209 31.823 0.149 0.000 0.987 229 V HN 0.961 nan 8.190 nan 0.000 0.436 230 T N 2.108 116.714 114.554 0.087 0.000 2.828 230 T HA 0.339 4.715 4.350 0.043 0.000 0.290 230 T C 1.516 176.286 174.700 0.117 0.000 1.019 230 T CA 0.201 62.355 62.100 0.089 0.000 1.031 230 T CB 1.510 70.423 68.868 0.076 0.000 1.001 230 T HN 0.724 nan 8.240 nan 0.000 0.531 231 G N -0.117 108.765 108.800 0.136 0.000 2.418 231 G HA2 -0.131 3.855 3.960 0.043 0.000 0.217 231 G HA3 -0.131 3.855 3.960 0.043 0.000 0.217 231 G C 1.324 176.315 174.900 0.152 0.000 1.158 231 G CA 0.477 45.698 45.100 0.202 0.000 0.771 231 G HN 0.870 nan 8.290 nan 0.000 0.545 232 E N 0.410 120.675 120.200 0.110 0.000 2.085 232 E HA -0.134 4.242 4.350 0.043 0.000 0.194 232 E C 2.946 179.594 176.600 0.080 0.000 0.994 232 E CA 0.884 57.333 56.400 0.081 0.000 0.801 232 E CB -0.178 29.560 29.700 0.064 0.000 0.743 232 E HN 0.408 nan 8.360 nan 0.000 0.453 233 A N 0.969 123.839 122.820 0.084 0.000 1.902 233 A HA -0.154 4.192 4.320 0.043 0.000 0.217 233 A C 2.176 179.818 177.584 0.096 0.000 1.181 233 A CA 1.003 53.088 52.037 0.081 0.000 0.623 233 A CB -0.576 18.471 19.000 0.077 0.000 0.818 233 A HN 0.144 nan 8.150 nan 0.000 0.443 234 L N -0.694 120.599 121.223 0.117 0.000 2.056 234 L HA -0.201 4.165 4.340 0.043 0.000 0.207 234 L C 2.636 179.585 176.870 0.132 0.000 1.078 234 L CA 1.592 56.514 54.840 0.137 0.000 0.749 234 L CB -0.513 41.667 42.059 0.202 0.000 0.901 234 L HN 0.489 nan 8.230 nan 0.000 0.433 235 E N 0.080 120.338 120.200 0.096 0.000 2.051 235 E HA -0.244 4.132 4.350 0.043 0.000 0.192 235 E C 2.176 178.882 176.600 0.177 0.000 0.991 235 E CA 1.218 57.676 56.400 0.097 0.000 0.799 235 E CB -0.038 29.689 29.700 0.044 0.000 0.748 235 E HN 0.420 nan 8.360 nan 0.000 0.449 236 K N 0.542 121.012 120.400 0.117 0.000 2.097 236 K HA -0.103 4.243 4.320 0.043 0.000 0.206 236 K C 2.213 178.889 176.600 0.127 0.000 1.049 236 K CA 1.056 57.406 56.287 0.105 0.000 0.933 236 K CB -0.130 32.408 32.500 0.063 0.000 0.717 236 K HN 0.056 nan 8.250 nan 0.000 0.442 237 A N 1.245 124.139 122.820 0.124 0.000 1.898 237 A HA -0.173 4.173 4.320 0.043 0.000 0.216 237 A C 1.984 179.645 177.584 0.129 0.000 1.181 237 A CA 1.115 53.215 52.037 0.104 0.000 0.620 237 A CB -0.658 18.398 19.000 0.093 0.000 0.819 237 A HN 0.358 nan 8.150 nan 0.000 0.442 238 F N 0.417 120.382 119.950 0.026 0.000 2.069 238 F HA -0.234 4.319 4.527 0.043 0.000 0.298 238 F C 2.167 177.980 175.800 0.022 0.000 1.113 238 F CA 2.409 60.414 58.000 0.010 0.000 1.214 238 F CB -0.911 38.083 39.000 -0.011 0.000 0.978 238 F HN 0.469 nan 8.300 nan 0.000 0.474 239 H N -0.525 118.435 119.070 -0.183 0.000 2.352 239 H HA -0.154 4.427 4.556 0.043 0.000 0.299 239 H C 2.185 177.381 175.328 -0.220 0.000 1.097 239 H CA 2.146 58.023 56.048 -0.286 0.000 1.311 239 H CB -0.239 29.471 29.762 -0.087 0.000 1.377 239 H HN 0.366 nan 8.280 nan 0.000 0.504 240 E N 0.080 120.261 120.200 -0.032 0.000 2.106 240 E HA -0.056 4.320 4.350 0.043 0.000 0.192 240 E C 2.204 178.721 176.600 -0.137 0.000 0.984 240 E CA 1.126 57.490 56.400 -0.060 0.000 0.806 240 E CB -0.444 29.262 29.700 0.010 0.000 0.750 240 E HN 0.540 nan 8.360 nan 0.000 0.458 241 A N -0.078 122.654 122.820 -0.147 0.000 1.898 241 A HA -0.096 4.250 4.320 0.043 0.000 0.216 241 A C 2.440 179.882 177.584 -0.237 0.000 1.181 241 A CA 1.480 53.424 52.037 -0.155 0.000 0.620 241 A CB -0.624 18.315 19.000 -0.102 0.000 0.819 241 A HN 0.192 nan 8.150 nan 0.000 0.442 242 V N 0.086 119.780 119.914 -0.366 0.000 2.358 242 V HA -0.232 3.914 4.120 0.043 0.000 0.246 242 V C 2.607 178.522 176.094 -0.298 0.000 1.047 242 V CA 2.128 64.204 62.300 -0.372 0.000 1.035 242 V CB -0.821 30.665 31.823 -0.560 0.000 0.658 242 V HN 0.669 nan 8.190 nan 0.000 0.452 243 R N 0.402 120.695 120.500 -0.346 0.000 2.117 243 R HA -0.174 4.192 4.340 0.043 0.000 0.243 243 R C 2.233 178.429 176.300 -0.173 0.000 1.143 243 R CA 1.712 57.653 56.100 -0.264 0.000 0.968 243 R CB -0.126 30.027 30.300 -0.244 0.000 0.863 243 R HN 0.427 nan 8.270 nan 0.000 0.444 244 R N -0.971 119.436 120.500 -0.154 0.000 2.310 244 R HA 0.104 4.470 4.340 0.043 0.000 0.202 244 R C 0.759 176.998 176.300 -0.102 0.000 0.933 244 R CA 0.509 56.541 56.100 -0.114 0.000 1.054 244 R CB 0.540 30.783 30.300 -0.096 0.000 0.985 244 R HN 0.496 nan 8.270 nan 0.000 0.489 245 G N 1.169 109.902 108.800 -0.112 0.000 2.176 245 G HA2 -0.260 3.726 3.960 0.043 0.000 0.252 245 G HA3 -0.260 3.726 3.960 0.043 0.000 0.252 245 G C 0.494 175.286 174.900 -0.180 0.000 1.024 245 G CA 0.042 45.106 45.100 -0.059 0.000 0.755 245 G HN 0.322 nan 8.290 nan 0.000 0.507 246 L N -1.439 119.641 121.223 -0.238 0.000 2.554 246 L HA 0.477 4.843 4.340 0.043 0.000 0.225 246 L C 1.084 177.726 176.870 -0.380 0.000 1.104 246 L CA 0.453 55.139 54.840 -0.256 0.000 0.866 246 L CB 0.153 42.124 42.059 -0.148 0.000 1.047 246 L HN 0.232 nan 8.230 nan 0.000 0.468 247 L N -1.353 119.594 121.223 -0.459 0.000 2.445 247 L HA 0.381 4.747 4.340 0.043 0.000 0.262 247 L C -1.555 175.086 176.870 -0.381 0.000 0.974 247 L CA -0.562 54.044 54.840 -0.389 0.000 0.822 247 L CB 2.463 44.452 42.059 -0.118 0.000 1.339 247 L HN -0.135 nan 8.230 nan 0.000 0.409 248 Y N 1.998 122.362 120.300 0.106 0.000 2.447 248 Y HA 0.341 4.917 4.550 0.043 0.000 0.325 248 Y C -2.265 173.727 175.900 0.154 0.000 0.976 248 Y CA -2.498 55.686 58.100 0.139 0.000 1.280 248 Y CB 1.323 39.950 38.460 0.277 0.000 1.104 248 Y HN 0.293 nan 8.280 nan 0.000 0.486 249 P HA 0.010 nan 4.420 nan 0.000 0.268 249 P C -0.699 176.734 177.300 0.222 0.000 1.205 249 P CA -0.009 63.256 63.100 0.275 0.000 0.771 249 P CB 1.009 32.900 31.700 0.318 0.000 0.858 250 V N 2.703 122.726 119.914 0.182 0.000 2.378 250 V HA 0.645 4.791 4.120 0.043 0.000 0.288 250 V C 0.283 176.460 176.094 0.138 0.000 1.016 250 V CA -0.571 61.812 62.300 0.139 0.000 0.840 250 V CB 1.088 32.964 31.823 0.088 0.000 0.994 250 V HN 0.658 nan 8.190 nan 0.000 0.431 251 A N 4.766 127.661 122.820 0.124 0.000 2.322 251 A HA 0.971 5.317 4.320 0.043 0.000 0.327 251 A C -1.217 176.430 177.584 0.105 0.000 1.134 251 A CA -0.669 51.433 52.037 0.107 0.000 0.831 251 A CB 1.615 20.666 19.000 0.085 0.000 1.288 251 A HN 0.765 nan 8.150 nan 0.000 0.472 252 L N 0.783 122.050 121.223 0.072 0.000 2.349 252 L HA 0.836 5.202 4.340 0.043 0.000 0.278 252 L C -0.158 176.769 176.870 0.096 0.000 0.996 252 L CA 0.103 54.969 54.840 0.044 0.000 0.825 252 L CB 1.119 43.117 42.059 -0.101 0.000 1.243 252 L HN 1.270 nan 8.230 nan 0.000 0.412 253 A N 2.979 125.867 122.820 0.114 0.000 2.605 253 A HA 0.788 5.134 4.320 0.043 0.000 0.294 253 A C -1.445 176.233 177.584 0.157 0.000 1.062 253 A CA -0.305 51.800 52.037 0.112 0.000 0.682 253 A CB 1.730 20.743 19.000 0.022 0.000 1.278 253 A HN 0.717 nan 8.150 nan 0.000 0.410 254 S N 0.061 115.841 115.700 0.133 0.000 2.619 254 S HA 0.554 5.050 4.470 0.043 0.000 0.280 254 S C 0.855 175.463 174.600 0.013 0.000 1.150 254 S CA 0.313 58.589 58.200 0.126 0.000 0.978 254 S CB 1.229 64.596 63.200 0.278 0.000 1.041 254 S HN 1.897 nan 8.310 nan 0.000 0.485 255 G N 2.707 111.516 108.800 0.016 0.000 2.511 255 G HA2 -0.022 3.964 3.960 0.043 0.000 0.217 255 G HA3 -0.022 3.964 3.960 0.043 0.000 0.217 255 G C 1.013 175.909 174.900 -0.007 0.000 1.133 255 G CA 0.593 45.692 45.100 -0.002 0.000 0.792 255 G HN 0.685 nan 8.290 nan 0.000 0.539 256 E N 0.628 120.833 120.200 0.008 0.000 2.076 256 E HA 0.023 4.398 4.350 0.043 0.000 0.190 256 E C 2.386 178.975 176.600 -0.017 0.000 0.979 256 E CA 0.601 57.003 56.400 0.004 0.000 0.807 256 E CB 0.051 29.769 29.700 0.029 0.000 0.761 256 E HN 0.100 nan 8.360 nan 0.000 0.454 257 R N 0.735 121.217 120.500 -0.030 0.000 2.310 257 R HA 0.096 4.462 4.340 0.043 0.000 0.202 257 R C -0.138 176.058 176.300 -0.172 0.000 0.933 257 R CA 0.254 56.291 56.100 -0.104 0.000 1.054 257 R CB -0.019 30.179 30.300 -0.170 0.000 0.985 257 R HN 0.156 nan 8.270 nan 0.000 0.489 258 E N 0.704 120.821 120.200 -0.139 0.000 2.252 258 E HA -0.217 4.159 4.350 0.043 0.000 0.218 258 E C -0.637 175.743 176.600 -0.368 0.000 1.253 258 E CA 0.747 57.059 56.400 -0.147 0.000 0.705 258 E CB -1.612 28.066 29.700 -0.037 0.000 1.172 258 E HN 0.377 nan 8.360 nan 0.000 0.369 259 I N -0.101 120.142 120.570 -0.545 0.000 2.406 259 I HA 0.322 4.518 4.170 0.043 0.000 0.290 259 I C 1.387 177.071 176.117 -0.722 0.000 0.999 259 I CA 0.277 60.930 61.300 -1.079 0.000 1.124 259 I CB 1.837 39.156 38.000 -1.134 0.000 1.289 259 I HN 0.292 nan 8.210 nan 0.000 0.441 260 G N 3.997 112.273 108.800 -0.873 0.000 2.168 260 G HA2 -0.235 3.751 3.960 0.043 0.000 0.257 260 G HA3 -0.235 3.751 3.960 0.043 0.000 0.257 260 G C 0.645 175.464 174.900 -0.135 0.000 0.997 260 G CA 0.482 45.429 45.100 -0.256 0.000 0.708 260 G HN 0.466 nan 8.290 nan 0.000 0.520 261 V N 0.296 120.120 119.914 -0.149 0.000 2.270 261 V HA -0.113 4.032 4.120 0.043 0.000 0.245 261 V C 2.886 178.903 176.094 -0.128 0.000 1.043 261 V CA 2.282 64.520 62.300 -0.103 0.000 1.014 261 V CB -0.508 31.269 31.823 -0.077 0.000 0.645 261 V HN 0.464 nan 8.190 nan 0.000 0.447 262 L N -0.442 120.702 121.223 -0.131 0.000 2.093 262 L HA -0.074 4.292 4.340 0.043 0.000 0.208 262 L C -0.090 176.653 176.870 -0.211 0.000 1.085 262 L CA 1.376 56.060 54.840 -0.260 0.000 0.755 262 L CB -1.652 40.276 42.059 -0.219 0.000 0.904 262 L HN 0.355 nan 8.230 nan 0.000 0.435 263 P HA -0.190 nan 4.420 nan 0.000 0.218 263 P C 1.733 178.998 177.300 -0.057 0.000 1.149 263 P CA 1.048 64.106 63.100 -0.070 0.000 0.817 263 P CB 0.098 31.775 31.700 -0.038 0.000 0.785 264 L N -0.920 120.265 121.223 -0.064 0.000 2.056 264 L HA -0.113 4.253 4.340 0.043 0.000 0.207 264 L C 2.045 178.876 176.870 -0.065 0.000 1.078 264 L CA 1.734 56.550 54.840 -0.040 0.000 0.749 264 L CB -1.471 40.566 42.059 -0.036 0.000 0.901 264 L HN -0.127 nan 8.230 nan 0.000 0.433 265 L N -0.180 120.955 121.223 -0.146 0.000 2.046 265 L HA -0.181 4.185 4.340 0.043 0.000 0.208 265 L C 2.395 179.196 176.870 -0.115 0.000 1.077 265 L CA 1.795 56.525 54.840 -0.183 0.000 0.747 265 L CB -0.727 41.100 42.059 -0.388 0.000 0.896 265 L HN 0.417 nan 8.230 nan 0.000 0.432 266 E N -0.921 119.215 120.200 -0.107 0.000 2.077 266 E HA -0.248 4.128 4.350 0.043 0.000 0.193 266 E C 2.096 178.718 176.600 0.035 0.000 0.989 266 E CA 1.295 57.705 56.400 0.018 0.000 0.800 266 E CB -0.310 29.419 29.700 0.049 0.000 0.746 266 E HN 0.379 nan 8.360 nan 0.000 0.452 267 L N 1.094 122.336 121.223 0.031 0.000 2.093 267 L HA -0.124 4.242 4.340 0.043 0.000 0.208 267 L C 1.980 178.904 176.870 0.090 0.000 1.085 267 L CA 1.367 56.255 54.840 0.081 0.000 0.755 267 L CB -0.171 41.938 42.059 0.083 0.000 0.904 267 L HN 0.107 nan 8.230 nan 0.000 0.435 268 I N -1.076 119.521 120.570 0.046 0.000 2.163 268 I HA -0.348 3.847 4.170 0.043 0.000 0.243 268 I C 2.325 178.474 176.117 0.053 0.000 1.085 268 I CA 1.485 62.809 61.300 0.040 0.000 1.347 268 I CB -0.271 37.736 38.000 0.012 0.000 1.044 268 I HN 0.261 nan 8.210 nan 0.000 0.408 269 L N 0.160 121.408 121.223 0.042 0.000 2.046 269 L HA -0.230 4.136 4.340 0.043 0.000 0.208 269 L C 2.613 179.522 176.870 0.064 0.000 1.077 269 L CA 1.543 56.398 54.840 0.026 0.000 0.747 269 L CB -0.575 41.458 42.059 -0.044 0.000 0.896 269 L HN 0.310 nan 8.230 nan 0.000 0.432 270 E N 0.205 120.463 120.200 0.096 0.000 2.107 270 E HA -0.193 4.183 4.350 0.043 0.000 0.191 270 E C 2.068 178.857 176.600 0.316 0.000 0.982 270 E CA 1.147 57.648 56.400 0.169 0.000 0.809 270 E CB 0.092 29.895 29.700 0.172 0.000 0.756 270 E HN 0.451 nan 8.360 nan 0.000 0.459 271 A N 0.649 123.602 122.820 0.221 0.000 2.014 271 A HA 0.226 4.572 4.320 0.043 0.000 0.210 271 A C 1.053 178.503 177.584 -0.223 0.000 1.188 271 A CA -0.106 51.918 52.037 -0.022 0.000 0.731 271 A CB 0.085 19.095 19.000 0.015 0.000 0.858 271 A HN 0.148 nan 8.150 nan 0.000 0.464 272 L N 1.318 122.502 121.223 -0.066 0.000 2.379 272 L HA 0.344 4.710 4.340 0.043 0.000 0.269 272 L C -2.227 174.613 176.870 -0.050 0.000 1.084 272 L CA -2.289 52.484 54.840 -0.111 0.000 0.802 272 L CB 1.087 43.127 42.059 -0.032 0.000 1.175 272 L HN 0.104 nan 8.230 nan 0.000 0.448 273 P HA 0.097 nan 4.420 nan 0.000 0.277 273 P C -0.753 176.607 177.300 0.100 0.000 1.240 273 P CA -0.410 62.699 63.100 0.016 0.000 0.798 273 P CB 1.406 33.068 31.700 -0.063 0.000 0.979 274 S N 1.748 117.537 115.700 0.147 0.000 2.652 274 S HA 0.329 4.825 4.470 0.043 0.000 0.270 274 S C -1.791 172.903 174.600 0.157 0.000 1.243 274 S CA -1.170 57.117 58.200 0.146 0.000 0.999 274 S CB 0.205 63.486 63.200 0.136 0.000 0.973 274 S HN 0.235 nan 8.310 nan 0.000 0.544 275 P HA -0.018 nan 4.420 nan 0.000 0.217 275 P C 1.382 178.848 177.300 0.277 0.000 1.150 275 P CA 1.292 64.565 63.100 0.289 0.000 0.832 275 P CB -0.275 31.581 31.700 0.260 0.000 0.787 276 T N -0.358 114.309 114.554 0.188 0.000 2.746 276 T HA -0.156 4.220 4.350 0.043 0.000 0.267 276 T C 1.549 176.316 174.700 0.111 0.000 1.039 276 T CA 1.295 63.484 62.100 0.149 0.000 1.142 276 T CB -0.684 68.250 68.868 0.110 0.000 0.866 276 T HN 0.337 nan 8.240 nan 0.000 0.444 277 E N 0.270 120.526 120.200 0.094 0.000 2.268 277 E HA -0.077 4.299 4.350 0.043 0.000 0.195 277 E C 2.351 178.943 176.600 -0.014 0.000 0.995 277 E CA 0.560 56.991 56.400 0.052 0.000 0.836 277 E CB 0.031 29.779 29.700 0.080 0.000 0.763 277 E HN 0.333 nan 8.360 nan 0.000 0.491 278 R N -0.435 120.045 120.500 -0.034 0.000 2.087 278 R HA 0.023 4.389 4.340 0.043 0.000 0.216 278 R C 1.191 177.247 176.300 -0.407 0.000 1.114 278 R CA 0.718 56.667 56.100 -0.252 0.000 1.002 278 R CB 0.198 30.288 30.300 -0.350 0.000 0.903 278 R HN 0.084 nan 8.270 nan 0.000 0.445 279 F N 0.170 120.132 119.950 0.020 0.000 2.704 279 F HA 0.386 4.939 4.527 0.044 0.000 0.304 279 F C 1.087 176.899 175.800 0.020 0.000 1.094 279 F CA 0.538 58.546 58.000 0.013 0.000 1.275 279 F CB 0.888 39.910 39.000 0.038 0.000 1.073 279 F HN 0.314 nan 8.300 nan 0.000 0.586 280 G N 0.723 109.624 108.800 0.167 0.000 2.750 280 G HA2 -0.203 3.783 3.960 0.043 0.000 0.228 280 G HA3 -0.203 3.783 3.960 0.043 0.000 0.228 280 G C -0.980 173.999 174.900 0.132 0.000 1.367 280 G CA -0.724 44.446 45.100 0.115 0.000 0.871 280 G HN 0.094 nan 8.290 nan 0.000 0.560 281 D N 0.589 121.044 120.400 0.090 0.000 2.277 281 D HA 0.698 5.364 4.640 0.043 0.000 0.250 281 D C 0.813 177.153 176.300 0.068 0.000 1.032 281 D CA 1.179 55.225 54.000 0.076 0.000 0.947 281 D CB 1.410 42.244 40.800 0.056 0.000 1.159 281 D HN 1.471 nan 8.370 nan 0.000 0.460 282 G N 0.313 109.147 108.800 0.057 0.000 2.333 282 G HA2 0.244 4.230 3.960 0.043 0.000 0.288 282 G HA3 0.244 4.230 3.960 0.043 0.000 0.288 282 G C -3.060 171.866 174.900 0.044 0.000 1.286 282 G CA -0.849 44.282 45.100 0.050 0.000 0.865 282 G HN 0.278 nan 8.290 nan 0.000 0.506 283 P HA 0.375 nan 4.420 nan 0.000 0.272 283 P C -2.522 174.811 177.300 0.055 0.000 1.223 283 P CA -0.938 62.193 63.100 0.051 0.000 0.784 283 P CB -0.030 31.714 31.700 0.074 0.000 0.923 284 P HA 0.031 nan 4.420 nan 0.000 0.263 284 P C -0.868 176.484 177.300 0.088 0.000 1.175 284 P CA 0.667 63.788 63.100 0.035 0.000 0.761 284 P CB 0.161 31.865 31.700 0.007 0.000 0.794 285 L N 3.390 124.654 121.223 0.068 0.000 2.470 285 L HA 0.787 5.153 4.340 0.043 0.000 0.268 285 L C -1.265 175.682 176.870 0.127 0.000 0.964 285 L CA -0.500 54.413 54.840 0.121 0.000 0.839 285 L CB 1.533 43.621 42.059 0.050 0.000 1.276 285 L HN 0.468 nan 8.230 nan 0.000 0.403 286 A N 4.332 127.260 122.820 0.179 0.000 2.593 286 A HA 0.911 5.257 4.320 0.043 0.000 0.290 286 A C -1.572 176.132 177.584 0.201 0.000 1.126 286 A CA -0.702 51.396 52.037 0.101 0.000 0.695 286 A CB 1.860 20.865 19.000 0.008 0.000 1.290 286 A HN 0.680 nan 8.150 nan 0.000 0.414 287 K N 0.191 120.668 120.400 0.130 0.000 2.542 287 K HA 0.564 4.910 4.320 0.043 0.000 0.259 287 K C -1.882 174.835 176.600 0.194 0.000 0.932 287 K CA -0.561 55.863 56.287 0.229 0.000 0.820 287 K CB 2.224 34.962 32.500 0.397 0.000 1.345 287 K HN 0.492 nan 8.250 nan 0.000 0.432 288 V N 6.339 126.358 119.914 0.175 0.000 2.405 288 V HA 0.133 4.279 4.120 0.043 0.000 0.264 288 V C 0.604 176.803 176.094 0.176 0.000 1.048 288 V CA -0.058 62.314 62.300 0.120 0.000 0.966 288 V CB -0.096 31.769 31.823 0.070 0.000 1.015 288 V HN 0.761 nan 8.190 nan 0.000 0.477 289 F N 3.795 123.801 119.950 0.092 0.000 2.698 289 F HA 0.419 4.974 4.527 0.047 0.000 0.295 289 F C 0.650 176.491 175.800 0.068 0.000 1.124 289 F CA -0.361 57.684 58.000 0.074 0.000 1.426 289 F CB 0.041 39.072 39.000 0.051 0.000 1.120 289 F HN 0.439 nan 8.300 nan 0.000 0.583 290 K N -0.333 119.795 120.400 -0.453 0.000 2.615 290 K HA 0.694 5.040 4.320 0.043 0.000 0.291 290 K C -2.092 174.435 176.600 -0.122 0.000 1.017 290 K CA -1.025 55.091 56.287 -0.285 0.000 0.882 290 K CB 2.339 34.593 32.500 -0.410 0.000 1.522 290 K HN -0.130 nan 8.250 nan 0.000 0.412 291 V N 1.160 121.068 119.914 -0.010 0.000 2.841 291 V HA 0.403 4.549 4.120 0.043 0.000 0.310 291 V C -1.222 174.946 176.094 0.124 0.000 1.090 291 V CA -0.747 61.623 62.300 0.118 0.000 0.930 291 V CB 1.988 33.867 31.823 0.092 0.000 1.014 291 V HN 0.686 nan 8.190 nan 0.000 0.425 292 Q N 2.103 122.049 119.800 0.244 0.000 2.345 292 Q HA 0.670 5.036 4.340 0.043 0.000 0.268 292 Q C -1.045 175.056 176.000 0.169 0.000 1.054 292 Q CA -0.548 55.377 55.803 0.203 0.000 0.835 292 Q CB 2.608 31.527 28.738 0.301 0.000 1.339 292 Q HN 0.532 nan 8.270 nan 0.000 0.447 293 V N 2.422 122.435 119.914 0.164 0.000 2.384 293 V HA 0.141 4.286 4.120 0.043 0.000 0.257 293 V C -0.722 175.490 176.094 0.196 0.000 0.969 293 V CA -0.777 61.593 62.300 0.116 0.000 0.910 293 V CB 0.994 32.839 31.823 0.038 0.000 1.150 293 V HN 0.560 nan 8.190 nan 0.000 0.481 294 D N 3.874 124.383 120.400 0.181 0.000 2.389 294 D HA 0.256 4.922 4.640 0.043 0.000 0.247 294 D C -2.325 174.053 176.300 0.129 0.000 1.128 294 D CA -1.281 52.841 54.000 0.203 0.000 0.884 294 D CB 1.458 42.396 40.800 0.230 0.000 1.194 294 D HN 0.209 nan 8.370 nan 0.000 0.441 295 P HA -0.038 nan 4.420 nan 0.000 0.264 295 P C -0.021 177.145 177.300 -0.223 0.000 1.183 295 P CA 0.224 63.176 63.100 -0.247 0.000 0.763 295 P CB 0.056 31.551 31.700 -0.341 0.000 0.807 296 F N -0.675 119.316 119.950 0.069 0.000 2.840 296 F HA -0.244 4.281 4.527 -0.004 0.000 0.310 296 F C 1.132 176.941 175.800 0.016 0.000 0.688 296 F CA 0.463 58.484 58.000 0.034 0.000 1.286 296 F CB -1.893 37.126 39.000 0.031 0.000 1.612 296 F HN 0.282 nan 8.300 nan 0.000 0.335 297 M N 0.030 119.691 119.600 0.102 0.000 2.329 297 M HA 0.550 5.056 4.480 0.043 0.000 0.281 297 M C 1.121 177.427 176.300 0.011 0.000 1.088 297 M CA 1.521 56.856 55.300 0.058 0.000 1.108 297 M CB 0.855 33.492 32.600 0.062 0.000 1.657 297 M HN 0.588 nan 8.290 nan 0.000 0.579 298 G N 1.267 110.065 108.800 -0.004 0.000 2.796 298 G HA2 -0.257 3.728 3.960 0.043 0.000 0.571 298 G HA3 -0.257 3.728 3.960 0.043 0.000 0.571 298 G C -0.811 174.079 174.900 -0.017 0.000 1.370 298 G CA -0.160 44.924 45.100 -0.027 0.000 0.856 298 G HN 0.681 nan 8.290 nan 0.000 0.538 299 Q N -0.960 118.824 119.800 -0.027 0.000 2.313 299 Q HA 0.522 4.888 4.340 0.043 0.000 0.266 299 Q C -0.252 175.726 176.000 -0.036 0.000 0.989 299 Q CA -0.449 55.346 55.803 -0.013 0.000 0.890 299 Q CB 0.928 29.654 28.738 -0.019 0.000 1.200 299 Q HN 0.756 nan 8.270 nan 0.000 0.396 300 V N 3.339 123.242 119.914 -0.020 0.000 2.487 300 V HA 0.665 4.811 4.120 0.043 0.000 0.298 300 V C -0.561 175.445 176.094 -0.146 0.000 1.028 300 V CA -0.746 61.475 62.300 -0.132 0.000 0.860 300 V CB 1.466 33.181 31.823 -0.180 0.000 0.991 300 V HN 0.897 nan 8.190 nan 0.000 0.427 301 A N 4.592 127.277 122.820 -0.225 0.000 2.301 301 A HA 0.793 5.139 4.320 0.043 0.000 0.312 301 A C -1.198 176.183 177.584 -0.339 0.000 1.182 301 A CA -0.324 51.619 52.037 -0.157 0.000 0.826 301 A CB 0.388 19.323 19.000 -0.110 0.000 1.134 301 A HN 0.756 nan 8.150 nan 0.000 0.501 302 Y N 2.023 122.183 120.300 -0.234 0.000 2.342 302 Y HA 0.490 5.065 4.550 0.042 0.000 0.338 302 Y C -0.368 175.387 175.900 -0.242 0.000 0.965 302 Y CA -0.429 57.488 58.100 -0.305 0.000 1.159 302 Y CB 1.394 39.465 38.460 -0.647 0.000 1.157 302 Y HN 0.465 nan 8.280 nan 0.000 0.486 303 L N 4.271 125.541 121.223 0.078 0.000 2.322 303 L HA 0.536 4.902 4.340 0.043 0.000 0.281 303 L C -0.290 176.685 176.870 0.175 0.000 1.014 303 L CA -0.849 54.068 54.840 0.129 0.000 0.815 303 L CB 1.547 43.621 42.059 0.025 0.000 1.247 303 L HN 0.496 nan 8.230 nan 0.000 0.421 304 R N 3.035 123.591 120.500 0.093 0.000 2.265 304 R HA 0.583 4.949 4.340 0.043 0.000 0.319 304 R C -1.336 174.715 176.300 -0.416 0.000 1.006 304 R CA -0.432 55.525 56.100 -0.240 0.000 0.880 304 R CB 0.795 30.754 30.300 -0.568 0.000 1.077 304 R HN 0.479 nan 8.270 nan 0.000 0.454 305 L N 6.258 127.294 121.223 -0.312 0.000 2.259 305 L HA 0.305 4.671 4.340 0.043 0.000 0.288 305 L C -0.612 176.092 176.870 -0.276 0.000 1.051 305 L CA 0.097 54.796 54.840 -0.235 0.000 0.824 305 L CB 0.512 42.493 42.059 -0.129 0.000 1.206 305 L HN 0.777 nan 8.230 nan 0.000 0.429 306 Y N 3.828 123.984 120.300 -0.241 0.000 2.365 306 Y HA 0.221 4.797 4.550 0.044 0.000 0.293 306 Y C 1.262 176.913 175.900 -0.415 0.000 1.119 306 Y CA 0.457 58.252 58.100 -0.508 0.000 1.203 306 Y CB 0.128 37.918 38.460 -1.116 0.000 1.026 306 Y HN 0.563 nan 8.280 nan 0.000 0.549 307 R N -0.902 119.538 120.500 -0.100 0.000 2.680 307 R HA 0.502 4.868 4.340 0.043 0.000 0.269 307 R C -0.639 175.654 176.300 -0.011 0.000 1.026 307 R CA 0.093 56.178 56.100 -0.025 0.000 0.889 307 R CB 1.627 31.917 30.300 -0.017 0.000 1.241 307 R HN 0.279 nan 8.270 nan 0.000 0.463 308 G N 2.038 110.841 108.800 0.005 0.000 2.685 308 G HA2 -0.155 3.830 3.960 0.043 0.000 0.387 308 G HA3 -0.155 3.830 3.960 0.043 0.000 0.387 308 G C -1.547 173.326 174.900 -0.045 0.000 1.324 308 G CA -0.230 44.863 45.100 -0.011 0.000 0.878 308 G HN 0.706 nan 8.290 nan 0.000 0.527 309 R N -1.073 119.390 120.500 -0.061 0.000 2.744 309 R HA 0.823 5.189 4.340 0.043 0.000 0.279 309 R C -0.945 175.287 176.300 -0.113 0.000 0.977 309 R CA -0.983 55.054 56.100 -0.105 0.000 0.906 309 R CB 1.283 31.531 30.300 -0.087 0.000 1.197 309 R HN 0.677 nan 8.270 nan 0.000 0.463 310 L N 2.513 123.641 121.223 -0.159 0.000 2.388 310 L HA 0.604 4.970 4.340 0.043 0.000 0.264 310 L C -0.727 176.051 176.870 -0.152 0.000 0.998 310 L CA -0.984 53.771 54.840 -0.141 0.000 0.817 310 L CB 2.534 44.509 42.059 -0.140 0.000 1.338 310 L HN 0.592 nan 8.230 nan 0.000 0.414 311 K N 1.677 122.002 120.400 -0.124 0.000 2.340 311 K HA 0.549 4.895 4.320 0.043 0.000 0.244 311 K C -2.642 173.884 176.600 -0.124 0.000 0.973 311 K CA -1.889 54.326 56.287 -0.119 0.000 0.828 311 K CB 2.038 34.480 32.500 -0.097 0.000 1.226 311 K HN 0.184 nan 8.250 nan 0.000 0.437 312 P HA -0.014 nan 4.420 nan 0.000 0.265 312 P C 0.389 177.597 177.300 -0.155 0.000 1.193 312 P CA 0.935 63.936 63.100 -0.165 0.000 0.765 312 P CB 0.543 32.132 31.700 -0.185 0.000 0.823 313 G N 1.719 110.422 108.800 -0.161 0.000 2.213 313 G HA2 -0.180 3.805 3.960 0.043 0.000 0.236 313 G HA3 -0.180 3.805 3.960 0.043 0.000 0.236 313 G C 0.087 174.924 174.900 -0.104 0.000 0.991 313 G CA -0.300 44.720 45.100 -0.133 0.000 0.629 313 G HN 0.484 nan 8.290 nan 0.000 0.517 314 D N 0.739 121.078 120.400 -0.103 0.000 2.360 314 D HA 0.640 5.306 4.640 0.043 0.000 0.242 314 D C 0.445 176.690 176.300 -0.093 0.000 1.184 314 D CA 0.587 54.532 54.000 -0.091 0.000 0.930 314 D CB 1.236 41.982 40.800 -0.091 0.000 1.161 314 D HN 0.175 nan 8.370 nan 0.000 0.447 315 S N -0.419 115.225 115.700 -0.094 0.000 2.570 315 S HA 0.679 5.175 4.470 0.043 0.000 0.286 315 S C -0.606 173.917 174.600 -0.130 0.000 1.099 315 S CA -0.720 57.416 58.200 -0.107 0.000 0.913 315 S CB 1.249 64.386 63.200 -0.104 0.000 1.085 315 S HN 0.213 nan 8.310 nan 0.000 0.480 316 L N 1.921 123.045 121.223 -0.164 0.000 2.370 316 L HA 0.568 4.934 4.340 0.043 0.000 0.266 316 L C -0.349 176.303 176.870 -0.363 0.000 1.002 316 L CA -0.900 53.801 54.840 -0.231 0.000 0.818 316 L CB 1.964 43.913 42.059 -0.183 0.000 1.325 316 L HN 0.509 nan 8.230 nan 0.000 0.418 317 Q N 1.615 121.039 119.800 -0.627 0.000 2.306 317 Q HA 0.609 4.975 4.340 0.043 0.000 0.241 317 Q C -0.587 174.709 176.000 -1.172 0.000 0.948 317 Q CA -0.095 55.171 55.803 -0.896 0.000 0.886 317 Q CB 1.567 29.566 28.738 -1.231 0.000 1.227 317 Q HN 0.689 nan 8.270 nan 0.000 0.457 318 S N 1.159 116.356 115.700 -0.839 0.000 2.615 318 S HA 0.337 4.833 4.470 0.043 0.000 0.269 318 S C -0.098 174.438 174.600 -0.106 0.000 1.161 318 S CA -0.769 57.146 58.200 -0.476 0.000 0.817 318 S CB 0.841 63.926 63.200 -0.192 0.000 1.131 318 S HN 0.597 nan 8.310 nan 0.000 0.467 319 E N 0.585 120.881 120.200 0.160 0.000 2.333 319 E HA 0.002 4.378 4.350 0.043 0.000 0.198 319 E C 1.465 178.118 176.600 0.090 0.000 1.007 319 E CA 1.275 57.788 56.400 0.190 0.000 0.845 319 E CB -0.305 29.515 29.700 0.200 0.000 0.766 319 E HN 0.738 nan 8.360 nan 0.000 0.507 320 A N 0.394 123.238 122.820 0.040 0.000 2.460 320 A HA 0.494 4.840 4.320 0.043 0.000 0.258 320 A C 0.909 178.482 177.584 -0.019 0.000 1.300 320 A CA 0.605 52.654 52.037 0.021 0.000 0.913 320 A CB 0.078 19.092 19.000 0.023 0.000 1.031 320 A HN 0.203 nan 8.150 nan 0.000 0.512 321 G N -0.881 107.891 108.800 -0.047 0.000 2.549 321 G HA2 -0.055 3.931 3.960 0.043 0.000 0.404 321 G HA3 -0.055 3.931 3.960 0.043 0.000 0.404 321 G C -0.866 173.956 174.900 -0.131 0.000 1.292 321 G CA -0.914 44.142 45.100 -0.074 0.000 0.935 321 G HN 0.285 nan 8.290 nan 0.000 0.512 322 Q N -0.757 118.969 119.800 -0.123 0.000 2.337 322 Q HA 0.407 4.773 4.340 0.043 0.000 0.270 322 Q C 0.318 176.243 176.000 -0.124 0.000 1.002 322 Q CA 0.054 55.770 55.803 -0.145 0.000 0.888 322 Q CB 1.428 30.098 28.738 -0.113 0.000 1.222 322 Q HN 0.741 nan 8.270 nan 0.000 0.400 323 V N 4.095 123.924 119.914 -0.142 0.000 2.313 323 V HA 0.310 4.456 4.120 0.043 0.000 0.278 323 V C 0.314 176.348 176.094 -0.099 0.000 1.017 323 V CA -0.586 61.647 62.300 -0.112 0.000 0.823 323 V CB 1.272 33.023 31.823 -0.119 0.000 1.010 323 V HN 0.579 nan 8.190 nan 0.000 0.443 324 R N 4.463 124.916 120.500 -0.079 0.000 2.410 324 R HA 0.636 5.002 4.340 0.043 0.000 0.288 324 R C -0.867 175.397 176.300 -0.061 0.000 1.051 324 R CA -0.554 55.502 56.100 -0.073 0.000 1.021 324 R CB 0.886 31.147 30.300 -0.065 0.000 1.032 324 R HN 0.684 nan 8.270 nan 0.000 0.481 325 L N 7.239 128.420 121.223 -0.071 0.000 2.502 325 L HA 0.328 4.694 4.340 0.043 0.000 0.247 325 L C -1.591 175.217 176.870 -0.103 0.000 1.180 325 L CA -1.636 53.167 54.840 -0.062 0.000 0.956 325 L CB 1.807 43.825 42.059 -0.068 0.000 1.282 325 L HN 0.587 nan 8.230 nan 0.000 0.470 326 P HA -0.127 nan 4.420 nan 0.000 0.220 326 P C 0.076 177.074 177.300 -0.504 0.000 1.148 326 P CA 1.344 64.289 63.100 -0.257 0.000 0.803 326 P CB 0.329 31.917 31.700 -0.187 0.000 0.782 327 H N -0.892 118.110 119.070 -0.113 0.000 2.717 327 H HA 0.439 5.021 4.556 0.044 0.000 0.366 327 H C -0.189 174.905 175.328 -0.390 0.000 1.132 327 H CA -0.838 55.040 56.048 -0.284 0.000 1.180 327 H CB 1.978 31.538 29.762 -0.337 0.000 1.678 327 H HN -0.064 nan 8.280 nan 0.000 0.537 328 L N 3.249 124.252 121.223 -0.366 0.000 2.307 328 L HA 0.399 4.765 4.340 0.043 0.000 0.284 328 L C -1.069 175.547 176.870 -0.423 0.000 1.023 328 L CA -0.726 53.954 54.840 -0.267 0.000 0.810 328 L CB 0.841 42.813 42.059 -0.145 0.000 1.231 328 L HN 0.462 nan 8.230 nan 0.000 0.423 329 Y N 1.502 121.841 120.300 0.066 0.000 2.477 329 Y HA 0.522 5.100 4.550 0.048 0.000 0.347 329 Y C -0.207 175.753 175.900 0.101 0.000 0.981 329 Y CA -0.908 57.234 58.100 0.071 0.000 1.033 329 Y CB 2.261 40.733 38.460 0.019 0.000 1.245 329 Y HN 0.121 nan 8.280 nan 0.000 0.455 330 V N 5.315 125.409 119.914 0.300 0.000 2.435 330 V HA 0.488 4.634 4.120 0.043 0.000 0.290 330 V C -2.267 173.965 176.094 0.230 0.000 1.030 330 V CA -2.148 60.321 62.300 0.282 0.000 0.881 330 V CB 1.853 33.868 31.823 0.320 0.000 0.983 330 V HN 0.524 nan 8.190 nan 0.000 0.445 331 P HA 0.389 nan 4.420 nan 0.000 0.288 331 P C -0.950 176.462 177.300 0.187 0.000 1.267 331 P CA -0.696 62.530 63.100 0.209 0.000 0.815 331 P CB 1.350 33.248 31.700 0.331 0.000 0.989 332 M N 2.863 122.537 119.600 0.124 0.000 2.007 332 M HA 0.447 4.953 4.480 0.043 0.000 0.285 332 M C 0.422 176.760 176.300 0.062 0.000 0.893 332 M CA 0.277 55.629 55.300 0.087 0.000 0.925 332 M CB 0.419 33.050 32.600 0.052 0.000 1.568 332 M HN 0.741 nan 8.290 nan 0.000 0.414 333 G N 4.464 113.325 108.800 0.102 0.000 2.583 333 G HA2 -0.386 3.600 3.960 0.043 0.000 0.292 333 G HA3 -0.386 3.600 3.960 0.043 0.000 0.292 333 G C 0.310 175.181 174.900 -0.049 0.000 1.203 333 G CA 0.689 45.847 45.100 0.097 0.000 0.987 333 G HN 0.953 nan 8.290 nan 0.000 0.554 334 K N 0.832 120.940 120.400 -0.486 0.000 2.486 334 K HA 0.146 4.492 4.320 0.043 0.000 0.194 334 K C -0.013 176.438 176.600 -0.249 0.000 1.033 334 K CA 1.035 56.935 56.287 -0.646 0.000 1.004 334 K CB 0.102 31.830 32.500 -1.287 0.000 0.798 334 K HN 0.450 nan 8.250 nan 0.000 0.495 335 D N 1.610 121.926 120.400 -0.140 0.000 2.264 335 D HA 0.230 4.896 4.640 0.043 0.000 0.249 335 D C -0.492 175.793 176.300 -0.026 0.000 1.070 335 D CA -0.269 53.686 54.000 -0.076 0.000 0.912 335 D CB 1.668 42.441 40.800 -0.045 0.000 1.193 335 D HN 0.092 nan 8.370 nan 0.000 0.427 336 L N 2.430 123.621 121.223 -0.053 0.000 2.305 336 L HA 0.387 4.752 4.340 0.043 0.000 0.284 336 L C -0.427 176.496 176.870 0.089 0.000 1.013 336 L CA -0.665 54.158 54.840 -0.028 0.000 0.819 336 L CB 1.201 43.093 42.059 -0.278 0.000 1.227 336 L HN 0.115 nan 8.230 nan 0.000 0.417 337 L N 3.209 124.547 121.223 0.191 0.000 2.287 337 L HA 0.435 4.801 4.340 0.043 0.000 0.287 337 L C 0.189 177.230 176.870 0.284 0.000 1.022 337 L CA -0.484 54.477 54.840 0.202 0.000 0.814 337 L CB 1.730 43.870 42.059 0.135 0.000 1.217 337 L HN 0.585 nan 8.230 nan 0.000 0.420 338 E N 2.885 123.239 120.200 0.257 0.000 2.360 338 E HA 0.392 4.768 4.350 0.043 0.000 0.269 338 E C -0.818 175.808 176.600 0.042 0.000 1.022 338 E CA -0.513 55.924 56.400 0.062 0.000 0.887 338 E CB 1.231 30.929 29.700 -0.003 0.000 0.990 338 E HN 0.440 nan 8.360 nan 0.000 0.426 339 V N 1.246 121.158 119.914 -0.004 0.000 3.074 339 V HA 0.429 4.575 4.120 0.043 0.000 0.314 339 V C 0.087 176.172 176.094 -0.015 0.000 1.117 339 V CA -0.757 61.575 62.300 0.053 0.000 1.014 339 V CB 1.990 33.919 31.823 0.177 0.000 1.057 339 V HN 0.682 nan 8.190 nan 0.000 0.438 340 E N 0.942 121.140 120.200 -0.004 0.000 2.474 340 E HA 0.234 4.610 4.350 0.043 0.000 0.195 340 E C 0.196 176.753 176.600 -0.073 0.000 1.039 340 E CA 0.536 56.911 56.400 -0.040 0.000 0.881 340 E CB 0.374 30.061 29.700 -0.023 0.000 0.970 340 E HN 0.992 nan 8.360 nan 0.000 0.486 341 E N -1.062 119.081 120.200 -0.095 0.000 2.401 341 E HA 0.683 5.059 4.350 0.043 0.000 0.280 341 E C -1.514 174.856 176.600 -0.383 0.000 1.039 341 E CA -1.098 55.190 56.400 -0.186 0.000 0.814 341 E CB 1.398 31.006 29.700 -0.153 0.000 1.275 341 E HN -0.078 nan 8.360 nan 0.000 0.448 342 A N 1.576 124.064 122.820 -0.553 0.000 2.422 342 A HA 0.631 4.977 4.320 0.043 0.000 0.302 342 A C -1.085 176.004 177.584 -0.824 0.000 1.041 342 A CA -0.670 50.685 52.037 -1.136 0.000 0.708 342 A CB 1.542 20.161 19.000 -0.635 0.000 1.257 342 A HN 0.614 nan 8.150 nan 0.000 0.414 343 E N 0.789 120.404 120.200 -0.975 0.000 2.299 343 E HA 0.656 5.032 4.350 0.043 0.000 0.260 343 E C -0.038 176.518 176.600 -0.072 0.000 0.944 343 E CA -1.106 55.118 56.400 -0.292 0.000 0.815 343 E CB 1.900 31.552 29.700 -0.081 0.000 1.252 343 E HN 0.926 nan 8.360 nan 0.000 0.418 344 A N 0.434 123.257 122.820 0.006 0.000 2.540 344 A HA 0.386 4.732 4.320 0.043 0.000 0.239 344 A C 1.120 178.780 177.584 0.126 0.000 1.061 344 A CA 1.106 53.169 52.037 0.044 0.000 0.758 344 A CB -0.740 18.302 19.000 0.069 0.000 0.991 344 A HN 0.849 nan 8.150 nan 0.000 0.502 345 G N 1.133 109.970 108.800 0.061 0.000 2.307 345 G HA2 -0.179 3.807 3.960 0.043 0.000 0.210 345 G HA3 -0.179 3.807 3.960 0.043 0.000 0.210 345 G C 0.115 174.871 174.900 -0.240 0.000 1.005 345 G CA 0.005 45.138 45.100 0.054 0.000 0.634 345 G HN 0.661 nan 8.290 nan 0.000 0.496 346 F N 1.057 120.657 119.950 -0.584 0.000 2.496 346 F HA 0.534 5.086 4.527 0.042 0.000 0.344 346 F C 0.930 176.249 175.800 -0.801 0.000 1.155 346 F CA -0.176 57.116 58.000 -1.181 0.000 1.302 346 F CB 1.363 40.018 39.000 -0.575 0.000 1.159 346 F HN 0.013 nan 8.300 nan 0.000 0.595 347 V N 4.890 124.376 119.914 -0.712 0.000 2.448 347 V HA 0.427 4.573 4.120 0.043 0.000 0.295 347 V C -0.230 175.892 176.094 0.047 0.000 1.025 347 V CA -0.808 61.422 62.300 -0.116 0.000 0.859 347 V CB 1.660 33.553 31.823 0.116 0.000 0.988 347 V HN 0.465 nan 8.190 nan 0.000 0.431 348 L N 3.555 124.836 121.223 0.096 0.000 2.330 348 L HA 0.830 5.196 4.340 0.043 0.000 0.271 348 L C 0.584 177.464 176.870 0.016 0.000 1.013 348 L CA -0.603 54.296 54.840 0.099 0.000 0.816 348 L CB 2.025 44.121 42.059 0.062 0.000 1.287 348 L HN 0.730 nan 8.230 nan 0.000 0.435 349 G N 1.158 109.947 108.800 -0.019 0.000 2.422 349 G HA2 0.549 4.535 3.960 0.043 0.000 0.317 349 G HA3 0.549 4.535 3.960 0.043 0.000 0.317 349 G C -0.967 173.852 174.900 -0.135 0.000 1.210 349 G CA -0.281 44.645 45.100 -0.290 0.000 0.930 349 G HN 0.263 nan 8.290 nan 0.000 0.468 350 V N 5.850 125.643 119.914 -0.201 0.000 2.328 350 V HA 0.374 4.520 4.120 0.043 0.000 0.278 350 V C -1.679 174.339 176.094 -0.126 0.000 1.021 350 V CA -1.446 60.809 62.300 -0.075 0.000 0.838 350 V CB 1.576 33.357 31.823 -0.071 0.000 0.999 350 V HN 0.671 nan 8.190 nan 0.000 0.447 351 P HA 0.242 nan 4.420 nan 0.000 0.276 351 P C -0.349 176.909 177.300 -0.070 0.000 1.261 351 P CA -0.491 62.532 63.100 -0.129 0.000 0.800 351 P CB 0.619 32.199 31.700 -0.201 0.000 1.066 352 K N -0.998 119.363 120.400 -0.065 0.000 3.077 352 K HA -0.176 4.170 4.320 0.043 0.000 0.264 352 K C 0.490 177.059 176.600 -0.052 0.000 1.008 352 K CA 0.578 56.838 56.287 -0.045 0.000 0.740 352 K CB -2.289 30.195 32.500 -0.026 0.000 1.273 352 K HN 0.571 nan 8.250 nan 0.000 0.477 353 A N 0.472 123.252 122.820 -0.068 0.000 2.640 353 A HA 0.144 4.490 4.320 0.043 0.000 0.282 353 A C 1.175 178.699 177.584 -0.099 0.000 1.357 353 A CA -0.185 51.800 52.037 -0.086 0.000 0.946 353 A CB 0.036 18.976 19.000 -0.100 0.000 1.065 353 A HN 0.340 nan 8.150 nan 0.000 0.541 354 E N -0.006 120.150 120.200 -0.073 0.000 2.273 354 E HA -0.140 4.236 4.350 0.043 0.000 0.198 354 E C 1.838 178.368 176.600 -0.116 0.000 1.002 354 E CA 1.470 57.834 56.400 -0.059 0.000 0.828 354 E CB -0.149 29.534 29.700 -0.028 0.000 0.747 354 E HN 0.575 nan 8.360 nan 0.000 0.491 355 G N -0.788 107.915 108.800 -0.162 0.000 3.042 355 G HA2 0.159 4.145 3.960 0.043 0.000 0.212 355 G HA3 0.159 4.145 3.960 0.043 0.000 0.212 355 G C 0.047 174.654 174.900 -0.488 0.000 1.166 355 G CA -0.285 44.670 45.100 -0.241 0.000 0.767 355 G HN 0.069 nan 8.290 nan 0.000 0.546 356 L N 2.117 123.057 121.223 -0.471 0.000 2.287 356 L HA 0.469 4.835 4.340 0.043 0.000 0.287 356 L C -0.422 176.194 176.870 -0.425 0.000 1.022 356 L CA -0.980 53.631 54.840 -0.381 0.000 0.814 356 L CB 1.300 43.255 42.059 -0.174 0.000 1.217 356 L HN 0.109 nan 8.230 nan 0.000 0.420 357 H N 2.450 121.541 119.070 0.035 0.000 2.616 357 H HA 0.348 4.929 4.556 0.042 0.000 0.353 357 H C -0.388 174.976 175.328 0.060 0.000 1.170 357 H CA -0.929 55.146 56.048 0.045 0.000 1.212 357 H CB 1.706 31.498 29.762 0.050 0.000 1.653 357 H HN 0.481 nan 8.280 nan 0.000 0.537 358 R N 0.175 120.791 120.500 0.194 0.000 2.538 358 R HA 0.110 4.476 4.340 0.043 0.000 0.282 358 R C 0.749 177.151 176.300 0.169 0.000 1.009 358 R CA 1.409 57.592 56.100 0.139 0.000 1.063 358 R CB -0.200 30.166 30.300 0.110 0.000 0.945 358 R HN 1.038 nan 8.270 nan 0.000 0.414 359 G N 3.364 112.270 108.800 0.177 0.000 2.195 359 G HA2 -0.311 3.675 3.960 0.043 0.000 0.246 359 G HA3 -0.311 3.675 3.960 0.043 0.000 0.246 359 G C 0.212 175.250 174.900 0.230 0.000 0.984 359 G CA 0.167 45.398 45.100 0.219 0.000 0.633 359 G HN 0.602 nan 8.290 nan 0.000 0.525 360 M N 1.967 121.687 119.600 0.201 0.000 2.238 360 M HA 0.488 4.994 4.480 0.043 0.000 0.350 360 M C 0.345 176.774 176.300 0.216 0.000 1.321 360 M CA -0.005 55.412 55.300 0.195 0.000 1.097 360 M CB 0.766 33.454 32.600 0.147 0.000 1.713 360 M HN 0.008 nan 8.290 nan 0.000 0.455 361 V N 6.786 126.860 119.914 0.266 0.000 2.539 361 V HA 0.473 4.619 4.120 0.043 0.000 0.292 361 V C -0.175 176.165 176.094 0.409 0.000 1.045 361 V CA -0.656 61.840 62.300 0.327 0.000 0.945 361 V CB 1.487 33.494 31.823 0.306 0.000 0.993 361 V HN 0.772 nan 8.190 nan 0.000 0.464 362 L N 4.154 125.585 121.223 0.347 0.000 2.370 362 L HA 0.816 5.182 4.340 0.043 0.000 0.266 362 L C -0.772 176.290 176.870 0.320 0.000 1.002 362 L CA -0.336 54.611 54.840 0.180 0.000 0.818 362 L CB 1.992 44.063 42.059 0.020 0.000 1.325 362 L HN 0.921 nan 8.230 nan 0.000 0.418 363 W N 0.974 122.282 121.300 0.013 0.000 2.959 363 W HA 0.690 5.377 4.660 0.045 0.000 0.358 363 W C -1.976 174.541 176.519 -0.002 0.000 1.228 363 W CA -0.742 56.607 57.345 0.007 0.000 1.183 363 W CB 1.108 30.576 29.460 0.013 0.000 1.467 363 W HN 0.336 nan 8.180 nan 0.000 0.578 364 Q N 1.252 121.178 119.800 0.210 0.000 2.413 364 Q HA 0.565 4.931 4.340 0.043 0.000 0.276 364 Q C 0.295 176.467 176.000 0.286 0.000 1.099 364 Q CA -0.181 55.690 55.803 0.112 0.000 0.814 364 Q CB 2.394 31.154 28.738 0.036 0.000 1.379 364 Q HN 1.173 nan 8.270 nan 0.000 0.436 365 G N 1.794 110.733 108.800 0.232 0.000 2.525 365 G HA2 -0.292 3.694 3.960 0.043 0.000 0.248 365 G HA3 -0.292 3.694 3.960 0.043 0.000 0.248 365 G C -0.468 174.593 174.900 0.268 0.000 1.238 365 G CA -0.020 45.200 45.100 0.201 0.000 0.926 365 G HN 0.630 nan 8.290 nan 0.000 0.574 366 E N 0.987 121.259 120.200 0.121 0.000 2.376 366 E HA 0.418 4.794 4.350 0.043 0.000 0.266 366 E C 0.797 177.282 176.600 -0.191 0.000 1.009 366 E CA 0.138 56.544 56.400 0.011 0.000 0.902 366 E CB 0.534 30.221 29.700 -0.022 0.000 0.972 366 E HN 0.615 nan 8.360 nan 0.000 0.439 367 K N 5.685 125.821 120.400 -0.441 0.000 2.436 367 K HA 0.122 4.468 4.320 0.043 0.000 0.275 367 K C -1.992 174.207 176.600 -0.668 0.000 0.999 367 K CA -1.348 54.238 56.287 -1.167 0.000 0.980 367 K CB 0.345 32.182 32.500 -1.104 0.000 0.919 367 K HN 0.461 nan 8.250 nan 0.000 0.484 368 P HA 0.090 nan 4.420 nan 0.000 0.274 368 P C -1.007 176.132 177.300 -0.267 0.000 1.231 368 P CA -0.097 62.815 63.100 -0.312 0.000 0.790 368 P CB 1.001 32.582 31.700 -0.198 0.000 0.951 369 E N -0.098 120.002 120.200 -0.166 0.000 2.267 369 E HA 0.138 4.514 4.350 0.043 0.000 0.258 369 E C 1.439 177.977 176.600 -0.104 0.000 1.074 369 E CA -0.488 55.832 56.400 -0.133 0.000 0.915 369 E CB 0.709 30.347 29.700 -0.103 0.000 1.186 369 E HN 0.429 nan 8.360 nan 0.000 0.439 370 S N 0.541 116.182 115.700 -0.098 0.000 2.400 370 S HA -0.222 4.274 4.470 0.043 0.000 0.232 370 S C 1.379 175.943 174.600 -0.060 0.000 1.025 370 S CA 1.482 59.626 58.200 -0.092 0.000 0.993 370 S CB -0.289 62.837 63.200 -0.123 0.000 0.808 370 S HN 0.441 nan 8.310 nan 0.000 0.478 371 E N 1.470 121.637 120.200 -0.054 0.000 2.338 371 E HA -0.011 4.365 4.350 0.043 0.000 0.197 371 E C 1.847 178.432 176.600 -0.026 0.000 1.007 371 E CA 1.093 57.471 56.400 -0.038 0.000 0.849 371 E CB -0.199 29.477 29.700 -0.040 0.000 0.774 371 E HN 0.768 nan 8.360 nan 0.000 0.506 372 E N -0.098 120.087 120.200 -0.025 0.000 2.442 372 E HA 0.050 4.426 4.350 0.043 0.000 0.195 372 E C -0.384 176.228 176.600 0.019 0.000 1.030 372 E CA 0.095 56.496 56.400 0.002 0.000 0.869 372 E CB 0.764 30.457 29.700 -0.012 0.000 0.857 372 E HN -0.014 nan 8.360 nan 0.000 0.505 373 V N 2.892 122.806 119.914 0.000 0.000 2.409 373 V HA 0.243 4.389 4.120 0.043 0.000 0.291 373 V C -2.334 173.784 176.094 0.040 0.000 1.020 373 V CA -2.248 60.048 62.300 -0.007 0.000 0.848 373 V CB 1.264 33.119 31.823 0.053 0.000 0.990 373 V HN -0.045 nan 8.190 nan 0.000 0.430 374 P HA 0.215 nan 4.420 nan 0.000 0.266 374 P C -1.064 176.353 177.300 0.194 0.000 1.195 374 P CA 0.250 63.386 63.100 0.060 0.000 0.768 374 P CB 0.165 31.883 31.700 0.030 0.000 0.838 375 F N 1.926 121.890 119.950 0.024 0.000 2.605 375 F HA 0.596 5.148 4.527 0.043 0.000 0.320 375 F C -1.420 174.397 175.800 0.028 0.000 1.159 375 F CA -0.605 57.419 58.000 0.040 0.000 0.999 375 F CB 1.383 40.399 39.000 0.028 0.000 1.258 375 F HN 0.342 nan 8.300 nan 0.000 0.464 376 A N 6.556 129.033 122.820 -0.571 0.000 2.310 376 A HA 0.598 4.944 4.320 0.043 0.000 0.304 376 A C -0.588 176.673 177.584 -0.539 0.000 1.231 376 A CA -0.786 51.050 52.037 -0.336 0.000 0.799 376 A CB 0.870 19.752 19.000 -0.197 0.000 1.162 376 A HN 0.868 nan 8.150 nan 0.000 0.486 377 R N 2.695 123.086 120.500 -0.183 0.000 2.590 377 R HA 0.329 4.695 4.340 0.043 0.000 0.274 377 R C -0.943 175.329 176.300 -0.047 0.000 1.061 377 R CA -0.034 56.070 56.100 0.007 0.000 1.081 377 R CB 0.266 30.688 30.300 0.204 0.000 0.984 377 R HN 0.711 nan 8.270 nan 0.000 0.448 378 L N 6.561 127.774 121.223 -0.017 0.000 2.289 378 L HA 0.394 4.760 4.340 0.043 0.000 0.285 378 L C -1.889 175.011 176.870 0.050 0.000 1.049 378 L CA -2.297 52.537 54.840 -0.011 0.000 0.804 378 L CB 1.529 43.587 42.059 -0.000 0.000 1.195 378 L HN 0.554 nan 8.230 nan 0.000 0.428 379 P HA 0.082 nan 4.420 nan 0.000 0.271 379 P C -0.892 176.507 177.300 0.164 0.000 1.218 379 P CA -0.417 62.737 63.100 0.091 0.000 0.780 379 P CB 0.486 32.236 31.700 0.084 0.000 0.901 380 D N 2.913 123.348 120.400 0.059 0.000 2.399 380 D HA 0.079 4.745 4.640 0.043 0.000 0.241 380 D C -1.902 174.336 176.300 -0.104 0.000 1.133 380 D CA -0.735 53.252 54.000 -0.022 0.000 0.890 380 D CB -0.177 40.545 40.800 -0.130 0.000 1.201 380 D HN 0.281 nan 8.370 nan 0.000 0.432 381 P HA 0.073 nan 4.420 nan 0.000 0.271 381 P C 0.090 177.264 177.300 -0.210 0.000 1.216 381 P CA -0.272 62.456 63.100 -0.620 0.000 0.776 381 P CB 0.702 32.145 31.700 -0.429 0.000 0.881 382 N N 0.948 119.598 118.700 -0.083 0.000 2.170 382 N HA 0.056 4.822 4.740 0.043 0.000 0.222 382 N C -0.841 174.838 175.510 0.282 0.000 1.218 382 N CA -0.161 52.978 53.050 0.150 0.000 0.889 382 N CB 0.323 38.837 38.487 0.046 0.000 1.083 382 N HN 0.060 nan 8.380 nan 0.000 0.520 383 V N 3.349 123.319 119.914 0.092 0.000 2.334 383 V HA 0.488 4.634 4.120 0.043 0.000 0.281 383 V C -2.371 173.479 176.094 -0.408 0.000 1.016 383 V CA -1.324 60.826 62.300 -0.251 0.000 0.832 383 V CB 1.870 33.377 31.823 -0.526 0.000 0.999 383 V HN 0.116 nan 8.190 nan 0.000 0.439 384 P HA 0.628 nan 4.420 nan 0.000 0.296 384 P C -1.171 175.714 177.300 -0.691 0.000 1.310 384 P CA -0.572 61.868 63.100 -1.100 0.000 0.900 384 P CB 2.470 33.058 31.700 -1.853 0.000 1.111 385 V N -1.039 118.475 119.914 -0.666 0.000 2.925 385 V HA 0.903 5.049 4.120 0.043 0.000 0.311 385 V C -0.521 175.325 176.094 -0.414 0.000 1.104 385 V CA -1.485 60.529 62.300 -0.477 0.000 0.954 385 V CB 1.478 32.921 31.823 -0.633 0.000 1.022 385 V HN 0.677 nan 8.190 nan 0.000 0.427 386 A N 4.200 126.880 122.820 -0.234 0.000 2.309 386 A HA 0.812 5.158 4.320 0.043 0.000 0.298 386 A C -0.350 177.069 177.584 -0.274 0.000 1.165 386 A CA -0.634 51.260 52.037 -0.239 0.000 0.821 386 A CB 0.472 19.395 19.000 -0.128 0.000 1.102 386 A HN 0.954 nan 8.150 nan 0.000 0.500 387 L N 3.546 124.562 121.223 -0.345 0.000 2.307 387 L HA 0.455 4.821 4.340 0.043 0.000 0.282 387 L C -0.431 176.160 176.870 -0.464 0.000 1.051 387 L CA -0.435 54.291 54.840 -0.191 0.000 0.804 387 L CB 0.999 43.033 42.059 -0.042 0.000 1.197 387 L HN 0.727 nan 8.230 nan 0.000 0.431 388 H N 2.846 121.977 119.070 0.101 0.000 2.782 388 H HA 0.321 4.902 4.556 0.043 0.000 0.347 388 H C -2.511 172.841 175.328 0.040 0.000 1.038 388 H CA -1.729 54.352 56.048 0.056 0.000 1.255 388 H CB 2.274 32.063 29.762 0.045 0.000 1.623 388 H HN 0.342 nan 8.280 nan 0.000 0.525 389 P HA 0.048 nan 4.420 nan 0.000 0.275 389 P C 0.819 178.163 177.300 0.073 0.000 1.228 389 P CA -0.352 62.795 63.100 0.078 0.000 0.786 389 P CB 2.063 33.797 31.700 0.057 0.000 0.927 390 K N 1.845 122.270 120.400 0.042 0.000 2.026 390 K HA -0.013 4.333 4.320 0.043 0.000 0.208 390 K C 1.016 177.629 176.600 0.021 0.000 1.048 390 K CA 1.670 57.971 56.287 0.023 0.000 0.929 390 K CB -0.326 32.176 32.500 0.004 0.000 0.713 390 K HN 0.712 nan 8.250 nan 0.000 0.439 391 G N -1.363 107.450 108.800 0.022 0.000 2.827 391 G HA2 0.149 4.135 3.960 0.043 0.000 0.296 391 G HA3 0.149 4.135 3.960 0.043 0.000 0.296 391 G C -0.395 174.518 174.900 0.021 0.000 1.362 391 G CA -0.405 44.706 45.100 0.018 0.000 0.809 391 G HN 0.099 nan 8.290 nan 0.000 0.522 392 R N -0.909 119.602 120.500 0.018 0.000 2.112 392 R HA -0.136 4.229 4.340 0.043 0.000 0.242 392 R C 2.290 178.601 176.300 0.018 0.000 1.137 392 R CA 2.720 58.831 56.100 0.017 0.000 0.944 392 R CB -0.913 29.395 30.300 0.014 0.000 0.857 392 R HN 0.485 nan 8.270 nan 0.000 0.435 393 T N 1.241 115.805 114.554 0.017 0.000 2.720 393 T HA -0.125 4.251 4.350 0.043 0.000 0.268 393 T C 1.212 175.925 174.700 0.021 0.000 1.037 393 T CA 1.659 63.770 62.100 0.018 0.000 1.144 393 T CB -0.331 68.548 68.868 0.018 0.000 0.864 393 T HN 0.425 nan 8.240 nan 0.000 0.444 394 D N 0.734 121.148 120.400 0.023 0.000 2.117 394 D HA -0.096 4.570 4.640 0.043 0.000 0.198 394 D C 2.202 178.520 176.300 0.030 0.000 0.982 394 D CA 1.024 55.040 54.000 0.027 0.000 0.828 394 D CB -0.249 40.567 40.800 0.027 0.000 0.967 394 D HN 0.379 nan 8.370 nan 0.000 0.464 395 E N 1.480 121.697 120.200 0.029 0.000 2.110 395 E HA -0.118 4.258 4.350 0.043 0.000 0.193 395 E C 1.898 178.512 176.600 0.023 0.000 0.988 395 E CA 1.394 57.811 56.400 0.029 0.000 0.804 395 E CB -0.265 29.452 29.700 0.029 0.000 0.745 395 E HN 0.165 nan 8.360 nan 0.000 0.458 396 A N 0.266 123.098 122.820 0.020 0.000 2.015 396 A HA -0.069 4.277 4.320 0.043 0.000 0.219 396 A C 2.053 179.646 177.584 0.015 0.000 1.163 396 A CA 1.350 53.397 52.037 0.016 0.000 0.646 396 A CB -0.242 18.767 19.000 0.014 0.000 0.806 396 A HN 0.194 nan 8.150 nan 0.000 0.448 397 R N -1.448 119.063 120.500 0.019 0.000 2.290 397 R HA 0.202 4.567 4.340 0.043 0.000 0.197 397 R C 1.701 178.015 176.300 0.023 0.000 0.913 397 R CA 0.099 56.210 56.100 0.018 0.000 1.040 397 R CB -0.177 30.137 30.300 0.024 0.000 0.992 397 R HN 0.418 nan 8.270 nan 0.000 0.500 398 L N 0.769 122.010 121.223 0.029 0.000 2.012 398 L HA -0.048 4.318 4.340 0.043 0.000 0.210 398 L C 2.084 178.972 176.870 0.031 0.000 1.073 398 L CA 2.154 57.016 54.840 0.037 0.000 0.748 398 L CB -1.011 41.070 42.059 0.037 0.000 0.891 398 L HN 0.175 nan 8.230 nan 0.000 0.431 399 G N -1.174 107.638 108.800 0.019 0.000 2.476 399 G HA2 -0.387 3.599 3.960 0.043 0.000 0.218 399 G HA3 -0.387 3.599 3.960 0.043 0.000 0.218 399 G C 1.497 176.400 174.900 0.004 0.000 1.164 399 G CA 1.037 46.145 45.100 0.013 0.000 0.768 399 G HN 0.489 nan 8.290 nan 0.000 0.560 400 E N 0.989 121.185 120.200 -0.007 0.000 2.106 400 E HA 0.110 4.486 4.350 0.043 0.000 0.192 400 E C 2.606 179.173 176.600 -0.056 0.000 0.984 400 E CA 1.412 57.791 56.400 -0.034 0.000 0.806 400 E CB -0.576 29.098 29.700 -0.043 0.000 0.750 400 E HN 0.295 nan 8.360 nan 0.000 0.458 401 A N 0.444 123.254 122.820 -0.017 0.000 1.930 401 A HA -0.070 4.276 4.320 0.043 0.000 0.217 401 A C 2.275 179.909 177.584 0.083 0.000 1.175 401 A CA 1.235 53.286 52.037 0.023 0.000 0.627 401 A CB -0.630 18.451 19.000 0.134 0.000 0.815 401 A HN 0.347 nan 8.150 nan 0.000 0.443 402 L N -1.153 120.111 121.223 0.069 0.000 2.093 402 L HA -0.134 4.232 4.340 0.043 0.000 0.208 402 L C 2.765 179.667 176.870 0.052 0.000 1.085 402 L CA 1.417 56.303 54.840 0.077 0.000 0.755 402 L CB -0.423 41.670 42.059 0.057 0.000 0.904 402 L HN 0.453 nan 8.230 nan 0.000 0.435 403 R N 0.722 121.231 120.500 0.014 0.000 2.083 403 R HA -0.197 4.169 4.340 0.043 0.000 0.237 403 R C 2.292 178.589 176.300 -0.004 0.000 1.137 403 R CA 1.621 57.721 56.100 0.001 0.000 0.951 403 R CB -0.027 30.262 30.300 -0.018 0.000 0.851 403 R HN 0.283 nan 8.270 nan 0.000 0.434 404 K N 0.294 120.654 120.400 -0.067 0.000 2.026 404 K HA -0.179 4.167 4.320 0.043 0.000 0.208 404 K C 2.137 178.779 176.600 0.071 0.000 1.048 404 K CA 1.373 57.586 56.287 -0.123 0.000 0.929 404 K CB -0.300 31.869 32.500 -0.553 0.000 0.713 404 K HN 0.121 nan 8.250 nan 0.000 0.439 405 L N 1.244 122.584 121.223 0.196 0.000 2.042 405 L HA -0.172 4.194 4.340 0.043 0.000 0.210 405 L C 1.888 178.855 176.870 0.160 0.000 1.076 405 L CA 1.566 56.566 54.840 0.267 0.000 0.749 405 L CB -0.254 41.947 42.059 0.236 0.000 0.893 405 L HN 0.147 nan 8.230 nan 0.000 0.432 406 L N -0.801 120.489 121.223 0.112 0.000 2.313 406 L HA -0.056 4.310 4.340 0.043 0.000 0.214 406 L C 2.514 179.436 176.870 0.088 0.000 1.119 406 L CA 1.023 55.919 54.840 0.093 0.000 0.809 406 L CB -1.167 40.931 42.059 0.064 0.000 0.933 406 L HN 0.381 nan 8.230 nan 0.000 0.449 407 E N 0.042 120.293 120.200 0.086 0.000 2.047 407 E HA -0.235 4.141 4.350 0.043 0.000 0.191 407 E C 1.923 178.590 176.600 0.113 0.000 0.987 407 E CA 0.923 57.384 56.400 0.102 0.000 0.799 407 E CB 0.163 29.924 29.700 0.103 0.000 0.752 407 E HN 0.508 nan 8.360 nan 0.000 0.449 408 E N 0.349 120.621 120.200 0.120 0.000 2.107 408 E HA -0.144 4.232 4.350 0.043 0.000 0.191 408 E C -0.020 176.644 176.600 0.107 0.000 0.982 408 E CA 0.769 57.239 56.400 0.118 0.000 0.809 408 E CB 0.309 30.102 29.700 0.155 0.000 0.756 408 E HN -0.105 nan 8.360 nan 0.000 0.459 409 D N -0.657 119.819 120.400 0.128 0.000 2.400 409 D HA 0.175 4.841 4.640 0.043 0.000 0.272 409 D C -2.336 174.054 176.300 0.151 0.000 1.220 409 D CA -2.230 51.859 54.000 0.148 0.000 0.897 409 D CB 1.415 42.336 40.800 0.203 0.000 1.134 409 D HN -0.082 nan 8.370 nan 0.000 0.507 410 P HA -0.009 nan 4.420 nan 0.000 0.242 410 P C 1.029 178.413 177.300 0.140 0.000 1.197 410 P CA 0.452 63.619 63.100 0.113 0.000 0.765 410 P CB 0.191 31.946 31.700 0.091 0.000 0.936 411 S N -1.850 113.964 115.700 0.189 0.000 2.562 411 S HA 0.073 4.569 4.470 0.043 0.000 0.221 411 S C 0.640 175.473 174.600 0.389 0.000 0.975 411 S CA -0.002 58.365 58.200 0.277 0.000 0.918 411 S CB -0.812 62.501 63.200 0.188 0.000 0.772 411 S HN 0.030 nan 8.310 nan 0.000 0.531 412 L N 1.369 122.765 121.223 0.288 0.000 2.399 412 L HA 0.545 4.911 4.340 0.043 0.000 0.265 412 L C 0.070 177.016 176.870 0.126 0.000 1.089 412 L CA -0.609 54.348 54.840 0.194 0.000 0.802 412 L CB 1.158 43.282 42.059 0.108 0.000 1.180 412 L HN 0.115 nan 8.230 nan 0.000 0.454 413 K N 2.020 122.491 120.400 0.118 0.000 2.443 413 K HA 0.556 4.902 4.320 0.043 0.000 0.252 413 K C -1.820 174.877 176.600 0.161 0.000 0.933 413 K CA -0.742 55.602 56.287 0.095 0.000 0.792 413 K CB 1.962 34.457 32.500 -0.008 0.000 1.185 413 K HN 0.323 nan 8.250 nan 0.000 0.425 414 L N 4.111 125.399 121.223 0.108 0.000 2.333 414 L HA 0.468 4.834 4.340 0.043 0.000 0.280 414 L C -1.367 175.563 176.870 0.100 0.000 1.004 414 L CA 0.163 55.063 54.840 0.100 0.000 0.820 414 L CB 1.399 43.491 42.059 0.055 0.000 1.247 414 L HN 0.793 nan 8.230 nan 0.000 0.416 415 E N 3.183 123.459 120.200 0.127 0.000 2.366 415 E HA 0.518 4.894 4.350 0.043 0.000 0.278 415 E C -1.227 175.417 176.600 0.073 0.000 0.923 415 E CA -1.114 55.349 56.400 0.105 0.000 0.761 415 E CB 1.443 31.238 29.700 0.158 0.000 1.231 415 E HN 0.454 nan 8.360 nan 0.000 0.443 416 R N 2.179 122.707 120.500 0.046 0.000 2.196 416 R HA 0.105 4.471 4.340 0.043 0.000 0.340 416 R C -0.489 175.835 176.300 0.039 0.000 1.043 416 R CA -0.361 55.756 56.100 0.029 0.000 0.883 416 R CB 0.804 31.114 30.300 0.018 0.000 1.078 416 R HN 0.464 nan 8.270 nan 0.000 0.462 417 Q N 3.701 123.525 119.800 0.040 0.000 2.301 417 Q HA -0.057 4.309 4.340 0.043 0.000 0.262 417 Q C -0.029 175.993 176.000 0.038 0.000 1.168 417 Q CA 0.637 56.470 55.803 0.050 0.000 0.908 417 Q CB 0.432 29.196 28.738 0.043 0.000 1.348 417 Q HN 0.772 nan 8.270 nan 0.000 0.441 418 E N 2.536 122.755 120.200 0.032 0.000 2.086 418 E HA -0.303 4.073 4.350 0.043 0.000 0.205 418 E C 1.297 177.914 176.600 0.030 0.000 1.027 418 E CA 1.835 58.248 56.400 0.021 0.000 0.830 418 E CB 0.076 29.782 29.700 0.009 0.000 0.751 418 E HN 0.686 nan 8.360 nan 0.000 0.456 419 E N -0.118 120.106 120.200 0.040 0.000 2.047 419 E HA -0.152 4.224 4.350 0.043 0.000 0.191 419 E C 2.158 178.811 176.600 0.089 0.000 0.987 419 E CA 1.855 58.293 56.400 0.063 0.000 0.799 419 E CB 0.107 29.848 29.700 0.068 0.000 0.752 419 E HN 0.381 nan 8.360 nan 0.000 0.449 420 T N -3.858 110.746 114.554 0.084 0.000 3.057 420 T HA 0.249 4.624 4.350 0.043 0.000 0.254 420 T C 1.501 176.243 174.700 0.070 0.000 1.094 420 T CA 0.642 62.800 62.100 0.098 0.000 1.088 420 T CB 0.624 69.545 68.868 0.088 0.000 0.934 420 T HN 0.359 nan 8.240 nan 0.000 0.497 421 G N 1.246 110.076 108.800 0.049 0.000 2.179 421 G HA2 -0.241 3.745 3.960 0.043 0.000 0.260 421 G HA3 -0.241 3.745 3.960 0.043 0.000 0.260 421 G C -0.136 174.778 174.900 0.023 0.000 0.977 421 G CA 0.179 45.300 45.100 0.035 0.000 0.641 421 G HN 0.663 nan 8.290 nan 0.000 0.533 422 E N -0.411 119.799 120.200 0.017 0.000 2.374 422 E HA 0.492 4.868 4.350 0.043 0.000 0.260 422 E C -0.160 176.416 176.600 -0.040 0.000 1.101 422 E CA -0.746 55.644 56.400 -0.017 0.000 0.907 422 E CB 1.413 31.095 29.700 -0.030 0.000 1.014 422 E HN 0.216 nan 8.360 nan 0.000 0.427 423 L N 3.488 124.662 121.223 -0.082 0.000 2.255 423 L HA 0.275 4.641 4.340 0.043 0.000 0.289 423 L C -1.277 175.519 176.870 -0.123 0.000 1.046 423 L CA 0.124 54.919 54.840 -0.074 0.000 0.816 423 L CB 0.188 42.205 42.059 -0.071 0.000 1.197 423 L HN 0.369 nan 8.230 nan 0.000 0.427 424 L N 5.478 126.644 121.223 -0.096 0.000 2.325 424 L HA 0.511 4.877 4.340 0.043 0.000 0.278 424 L C -0.783 175.989 176.870 -0.163 0.000 1.023 424 L CA -0.903 53.814 54.840 -0.204 0.000 0.811 424 L CB 1.816 43.718 42.059 -0.262 0.000 1.249 424 L HN 0.498 nan 8.230 nan 0.000 0.431 425 L N 2.107 123.147 121.223 -0.305 0.000 2.333 425 L HA 0.518 4.884 4.340 0.043 0.000 0.280 425 L C -1.538 175.137 176.870 -0.325 0.000 1.004 425 L CA 0.008 54.719 54.840 -0.216 0.000 0.820 425 L CB 1.299 43.199 42.059 -0.265 0.000 1.247 425 L HN 0.369 nan 8.230 nan 0.000 0.416 426 W N 4.388 125.568 121.300 -0.201 0.000 2.478 426 W HA 0.767 5.453 4.660 0.042 0.000 0.318 426 W C 0.481 176.860 176.519 -0.234 0.000 1.062 426 W CA -0.247 56.967 57.345 -0.220 0.000 1.210 426 W CB 2.015 31.372 29.460 -0.171 0.000 1.325 426 W HN 0.747 nan 8.180 nan 0.000 0.496 427 G N 0.156 108.928 108.800 -0.047 0.000 3.105 427 G HA2 0.311 4.297 3.960 0.043 0.000 0.277 427 G HA3 0.311 4.297 3.960 0.043 0.000 0.277 427 G C -0.952 173.919 174.900 -0.048 0.000 1.375 427 G CA -0.652 44.424 45.100 -0.040 0.000 0.962 427 G HN 0.572 nan 8.290 nan 0.000 0.541 428 H N -1.271 118.039 119.070 0.400 0.000 2.549 428 H HA 0.481 5.063 4.556 0.043 0.000 0.279 428 H C 0.983 176.299 175.328 -0.019 0.000 1.018 428 H CA 0.818 56.916 56.048 0.084 0.000 1.175 428 H CB 0.822 30.533 29.762 -0.085 0.000 1.485 428 H HN 0.838 nan 8.280 nan 0.000 0.543 429 G N -0.740 108.093 108.800 0.054 0.000 2.316 429 G HA2 -0.057 3.929 3.960 0.043 0.000 0.296 429 G HA3 -0.057 3.929 3.960 0.043 0.000 0.296 429 G C -0.062 174.847 174.900 0.015 0.000 1.399 429 G CA -0.511 44.588 45.100 -0.001 0.000 0.833 429 G HN 0.157 nan 8.290 nan 0.000 0.565 430 E N -0.770 119.514 120.200 0.140 0.000 2.077 430 E HA -0.144 4.231 4.350 0.043 0.000 0.193 430 E C 2.443 179.086 176.600 0.072 0.000 0.989 430 E CA 1.610 58.145 56.400 0.224 0.000 0.800 430 E CB -0.032 29.825 29.700 0.261 0.000 0.746 430 E HN 0.382 nan 8.360 nan 0.000 0.452 431 L N 0.771 121.967 121.223 -0.046 0.000 2.056 431 L HA -0.175 4.191 4.340 0.043 0.000 0.207 431 L C 2.304 179.145 176.870 -0.048 0.000 1.078 431 L CA 2.183 56.940 54.840 -0.139 0.000 0.749 431 L CB -0.788 41.079 42.059 -0.320 0.000 0.901 431 L HN 0.290 nan 8.230 nan 0.000 0.433 432 H N -0.716 118.236 119.070 -0.197 0.000 2.290 432 H HA -0.190 4.392 4.556 0.043 0.000 0.298 432 H C 2.190 177.554 175.328 0.061 0.000 1.087 432 H CA 2.152 58.158 56.048 -0.071 0.000 1.291 432 H CB 0.058 29.760 29.762 -0.100 0.000 1.369 432 H HN 0.397 nan 8.280 nan 0.000 0.492 433 L N 0.275 121.479 121.223 -0.031 0.000 2.131 433 L HA -0.145 4.221 4.340 0.043 0.000 0.210 433 L C 3.068 180.079 176.870 0.236 0.000 1.092 433 L CA 0.800 55.628 54.840 -0.021 0.000 0.759 433 L CB -0.445 41.557 42.059 -0.095 0.000 0.903 433 L HN 0.371 nan 8.230 nan 0.000 0.435 434 A N 0.259 123.185 122.820 0.177 0.000 1.902 434 A HA -0.223 4.123 4.320 0.043 0.000 0.217 434 A C 2.447 180.097 177.584 0.111 0.000 1.181 434 A CA 2.238 54.366 52.037 0.151 0.000 0.623 434 A CB -0.979 18.075 19.000 0.091 0.000 0.818 434 A HN 0.516 nan 8.150 nan 0.000 0.443 435 T N -2.408 112.198 114.554 0.087 0.000 2.915 435 T HA 0.147 4.523 4.350 0.043 0.000 0.269 435 T C 1.824 176.572 174.700 0.080 0.000 1.071 435 T CA 1.479 63.638 62.100 0.099 0.000 1.132 435 T CB -0.384 68.582 68.868 0.165 0.000 0.878 435 T HN 0.514 nan 8.240 nan 0.000 0.479 436 A N 1.960 124.834 122.820 0.090 0.000 1.897 436 A HA 0.089 4.435 4.320 0.043 0.000 0.215 436 A C 2.380 180.015 177.584 0.085 0.000 1.181 436 A CA 1.599 53.680 52.037 0.074 0.000 0.620 436 A CB -0.656 18.370 19.000 0.043 0.000 0.821 436 A HN 0.572 nan 8.150 nan 0.000 0.443 437 K N 0.064 120.534 120.400 0.118 0.000 2.057 437 K HA -0.203 4.143 4.320 0.043 0.000 0.207 437 K C 1.823 178.376 176.600 -0.078 0.000 1.049 437 K CA 1.798 58.044 56.287 -0.068 0.000 0.931 437 K CB -0.199 32.084 32.500 -0.361 0.000 0.714 437 K HN 0.602 nan 8.250 nan 0.000 0.440 438 E N -0.141 120.036 120.200 -0.038 0.000 2.110 438 E HA -0.208 4.168 4.350 0.043 0.000 0.193 438 E C 2.131 178.665 176.600 -0.110 0.000 0.988 438 E CA 0.924 57.297 56.400 -0.046 0.000 0.804 438 E CB -0.018 29.693 29.700 0.018 0.000 0.745 438 E HN 0.125 nan 8.360 nan 0.000 0.458 439 R N 1.066 121.484 120.500 -0.138 0.000 2.092 439 R HA -0.066 4.300 4.340 0.043 0.000 0.231 439 R C 2.056 178.073 176.300 -0.471 0.000 1.119 439 R CA 1.068 56.972 56.100 -0.326 0.000 0.970 439 R CB -0.472 29.667 30.300 -0.268 0.000 0.864 439 R HN 0.158 nan 8.270 nan 0.000 0.440 440 L N 0.293 121.401 121.223 -0.191 0.000 2.083 440 L HA -0.197 4.169 4.340 0.043 0.000 0.209 440 L C 2.690 179.528 176.870 -0.053 0.000 1.083 440 L CA 1.850 56.665 54.840 -0.042 0.000 0.752 440 L CB -0.552 41.529 42.059 0.037 0.000 0.899 440 L HN 0.405 nan 8.230 nan 0.000 0.433 441 Q N 0.139 119.886 119.800 -0.087 0.000 2.124 441 Q HA -0.239 4.127 4.340 0.043 0.000 0.202 441 Q C 1.534 177.497 176.000 -0.061 0.000 0.977 441 Q CA 1.825 57.594 55.803 -0.056 0.000 0.850 441 Q CB 0.052 28.754 28.738 -0.060 0.000 0.901 441 Q HN 0.465 nan 8.270 nan 0.000 0.429 442 D N -0.244 120.064 120.400 -0.153 0.000 2.178 442 D HA -0.154 4.512 4.640 0.043 0.000 0.201 442 D C 1.030 177.301 176.300 -0.049 0.000 0.980 442 D CA 0.983 54.898 54.000 -0.141 0.000 0.842 442 D CB -0.167 40.473 40.800 -0.267 0.000 0.948 442 D HN 0.410 nan 8.370 nan 0.000 0.472 443 Y N -0.159 120.111 120.300 -0.050 0.000 2.529 443 Y HA 0.317 4.894 4.550 0.046 0.000 0.290 443 Y C 1.905 177.773 175.900 -0.054 0.000 1.177 443 Y CA 0.015 58.070 58.100 -0.075 0.000 1.305 443 Y CB -0.088 38.342 38.460 -0.051 0.000 1.047 443 Y HN 0.031 nan 8.280 nan 0.000 0.522 444 G N -0.335 108.525 108.800 0.100 0.000 2.141 444 G HA2 -0.201 3.785 3.960 0.043 0.000 0.231 444 G HA3 -0.201 3.785 3.960 0.043 0.000 0.231 444 G C -0.469 174.464 174.900 0.054 0.000 0.984 444 G CA 0.102 45.242 45.100 0.065 0.000 0.660 444 G HN 0.119 nan 8.290 nan 0.000 0.525 445 V N 0.528 120.476 119.914 0.057 0.000 2.487 445 V HA 0.509 4.655 4.120 0.043 0.000 0.298 445 V C 0.030 176.134 176.094 0.016 0.000 1.028 445 V CA -0.927 61.399 62.300 0.043 0.000 0.860 445 V CB 1.824 33.686 31.823 0.065 0.000 0.991 445 V HN 0.342 nan 8.190 nan 0.000 0.427 446 E N 3.245 123.449 120.200 0.006 0.000 2.167 446 E HA 0.545 4.921 4.350 0.043 0.000 0.284 446 E C -0.571 176.019 176.600 -0.016 0.000 1.016 446 E CA -0.328 56.061 56.400 -0.018 0.000 0.817 446 E CB 2.028 31.718 29.700 -0.016 0.000 1.080 446 E HN 0.639 nan 8.360 nan 0.000 0.397 447 V N 0.223 120.106 119.914 -0.051 0.000 3.001 447 V HA 0.598 4.744 4.120 0.043 0.000 0.314 447 V C -0.756 175.266 176.094 -0.120 0.000 1.099 447 V CA -0.906 61.373 62.300 -0.034 0.000 0.989 447 V CB 2.327 34.155 31.823 0.008 0.000 1.040 447 V HN 0.425 nan 8.190 nan 0.000 0.434 448 E N 2.095 122.288 120.200 -0.013 0.000 2.256 448 E HA 0.621 4.997 4.350 0.043 0.000 0.267 448 E C -1.544 175.188 176.600 0.221 0.000 0.892 448 E CA -0.424 55.958 56.400 -0.030 0.000 0.775 448 E CB 2.216 31.940 29.700 0.039 0.000 1.207 448 E HN 0.624 nan 8.360 nan 0.000 0.420 449 F N 0.818 120.828 119.950 0.100 0.000 2.425 449 F HA 0.491 5.044 4.527 0.043 0.000 0.331 449 F C 0.931 176.805 175.800 0.124 0.000 1.085 449 F CA -1.118 56.938 58.000 0.094 0.000 1.028 449 F CB 1.466 40.484 39.000 0.030 0.000 1.177 449 F HN 0.326 nan 8.300 nan 0.000 0.487 450 S N 0.205 116.111 115.700 0.343 0.000 2.632 450 S HA 0.769 5.265 4.470 0.043 0.000 0.289 450 S C -1.179 173.489 174.600 0.113 0.000 1.115 450 S CA -0.946 57.383 58.200 0.215 0.000 0.889 450 S CB 1.510 64.858 63.200 0.247 0.000 1.116 450 S HN 0.281 nan 8.310 nan 0.000 0.486 451 V N 2.848 122.803 119.914 0.068 0.000 2.572 451 V HA 0.286 4.432 4.120 0.043 0.000 0.291 451 V C -2.084 174.009 176.094 -0.002 0.000 1.039 451 V CA -1.117 61.193 62.300 0.016 0.000 1.055 451 V CB 0.092 31.922 31.823 0.013 0.000 0.969 451 V HN 0.763 nan 8.190 nan 0.000 0.482 452 P HA 0.123 nan 4.420 nan 0.000 0.267 452 P C -0.329 176.947 177.300 -0.040 0.000 1.200 452 P CA -0.177 62.875 63.100 -0.080 0.000 0.772 452 P CB 0.437 32.029 31.700 -0.180 0.000 0.855 453 K N 0.929 121.328 120.400 -0.001 0.000 2.326 453 K HA 0.221 4.567 4.320 0.043 0.000 0.275 453 K C -0.340 176.238 176.600 -0.037 0.000 1.018 453 K CA -0.551 55.755 56.287 0.032 0.000 0.962 453 K CB 0.371 32.928 32.500 0.095 0.000 0.953 453 K HN 0.173 nan 8.250 nan 0.000 0.475 454 V N 5.069 124.919 119.914 -0.106 0.000 2.530 454 V HA 0.095 4.241 4.120 0.043 0.000 0.282 454 V C -1.733 174.144 176.094 -0.361 0.000 1.048 454 V CA -1.349 60.747 62.300 -0.340 0.000 0.997 454 V CB 0.980 32.378 31.823 -0.708 0.000 0.987 454 V HN 0.743 nan 8.190 nan 0.000 0.477 455 P HA 0.184 nan 4.420 nan 0.000 0.231 455 P C -0.732 176.496 177.300 -0.120 0.000 1.811 455 P CA -0.320 62.732 63.100 -0.080 0.000 1.051 455 P CB -0.246 31.481 31.700 0.045 0.000 1.951 456 Y N 1.742 121.840 120.300 -0.336 0.000 2.426 456 Y HA 0.176 4.752 4.550 0.043 0.000 0.344 456 Y C 1.794 177.463 175.900 -0.383 0.000 1.256 456 Y CA 0.596 58.377 58.100 -0.531 0.000 1.451 456 Y CB 0.637 38.278 38.460 -1.364 0.000 1.342 456 Y HN 0.197 nan 8.280 nan 0.000 0.600 457 R N 0.382 120.907 120.500 0.042 0.000 2.906 457 R HA 0.549 4.915 4.340 0.043 0.000 0.258 457 R C -1.198 175.188 176.300 0.145 0.000 1.156 457 R CA -1.166 54.965 56.100 0.053 0.000 0.996 457 R CB 2.215 32.366 30.300 -0.248 0.000 1.259 457 R HN 0.640 nan 8.270 nan 0.000 0.462 458 E N -0.433 119.861 120.200 0.158 0.000 2.416 458 E HA 0.474 4.850 4.350 0.043 0.000 0.273 458 E C -1.203 175.504 176.600 0.178 0.000 0.935 458 E CA -0.653 55.854 56.400 0.178 0.000 0.784 458 E CB 2.799 32.621 29.700 0.204 0.000 1.301 458 E HN 0.384 nan 8.360 nan 0.000 0.454 459 T N -0.111 114.546 114.554 0.170 0.000 2.665 459 T HA 0.616 4.992 4.350 0.043 0.000 0.303 459 T C -1.679 173.113 174.700 0.152 0.000 1.334 459 T CA -0.645 61.575 62.100 0.201 0.000 1.011 459 T CB 0.924 69.910 68.868 0.196 0.000 1.573 459 T HN 0.479 nan 8.240 nan 0.000 0.492 460 I N -0.241 120.426 120.570 0.161 0.000 2.740 460 I HA 0.659 4.855 4.170 0.043 0.000 0.303 460 I C 0.222 176.424 176.117 0.142 0.000 1.044 460 I CA -0.956 60.417 61.300 0.122 0.000 1.064 460 I CB 2.336 40.380 38.000 0.073 0.000 1.249 460 I HN 0.547 nan 8.210 nan 0.000 0.433 461 K N 2.061 122.561 120.400 0.166 0.000 2.367 461 K HA 0.208 4.554 4.320 0.043 0.000 0.195 461 K C -0.162 176.477 176.600 0.065 0.000 1.060 461 K CA 0.193 56.560 56.287 0.133 0.000 1.022 461 K CB 0.543 33.154 32.500 0.187 0.000 0.894 461 K HN 0.675 nan 8.250 nan 0.000 0.540 462 K N -0.430 120.014 120.400 0.074 0.000 2.512 462 K HA 0.359 4.705 4.320 0.043 0.000 0.263 462 K C -0.591 176.029 176.600 0.034 0.000 0.966 462 K CA -0.876 55.431 56.287 0.035 0.000 0.851 462 K CB 1.987 34.495 32.500 0.014 0.000 1.395 462 K HN -0.313 nan 8.250 nan 0.000 0.440 463 V N 0.802 120.727 119.914 0.018 0.000 2.811 463 V HA 0.544 4.690 4.120 0.043 0.000 0.302 463 V C 0.032 176.131 176.094 0.008 0.000 1.063 463 V CA 0.300 62.608 62.300 0.013 0.000 1.088 463 V CB 0.775 32.598 31.823 -0.000 0.000 0.982 463 V HN 0.968 nan 8.190 nan 0.000 0.485 464 A N 3.996 126.820 122.820 0.007 0.000 2.612 464 A HA 0.857 5.203 4.320 0.043 0.000 0.293 464 A C -0.851 176.755 177.584 0.037 0.000 1.075 464 A CA -0.647 51.397 52.037 0.012 0.000 0.680 464 A CB 1.917 20.912 19.000 -0.008 0.000 1.279 464 A HN 0.947 nan 8.150 nan 0.000 0.411 465 E N 0.184 120.431 120.200 0.079 0.000 2.412 465 E HA 0.759 5.135 4.350 0.043 0.000 0.279 465 E C -0.264 176.470 176.600 0.225 0.000 0.984 465 E CA -0.588 55.921 56.400 0.182 0.000 0.788 465 E CB 1.920 31.753 29.700 0.223 0.000 1.277 465 E HN 1.885 nan 8.360 nan 0.000 0.455 466 G N 0.409 109.377 108.800 0.281 0.000 2.342 466 G HA2 0.251 4.237 3.960 0.043 0.000 0.297 466 G HA3 0.251 4.237 3.960 0.043 0.000 0.297 466 G C -1.878 172.920 174.900 -0.170 0.000 1.313 466 G CA -0.756 44.434 45.100 0.151 0.000 0.830 466 G HN 0.555 nan 8.290 nan 0.000 0.506 467 Q N -0.586 118.846 119.800 -0.613 0.000 2.309 467 Q HA 0.631 4.997 4.340 0.043 0.000 0.264 467 Q C -0.369 175.313 176.000 -0.529 0.000 1.008 467 Q CA -0.848 54.339 55.803 -1.028 0.000 0.853 467 Q CB 1.891 29.543 28.738 -1.810 0.000 1.314 467 Q HN 0.956 nan 8.270 nan 0.000 0.448 468 G N 2.946 111.476 108.800 -0.451 0.000 2.557 468 G HA2 0.473 4.459 3.960 0.043 0.000 0.310 468 G HA3 0.473 4.459 3.960 0.043 0.000 0.310 468 G C -1.597 173.142 174.900 -0.268 0.000 1.328 468 G CA -0.405 44.544 45.100 -0.253 0.000 0.945 468 G HN 0.510 nan 8.290 nan 0.000 0.494 469 K N 1.407 121.676 120.400 -0.219 0.000 2.468 469 K HA 0.559 4.905 4.320 0.043 0.000 0.252 469 K C -2.164 174.364 176.600 -0.120 0.000 0.932 469 K CA -0.981 55.164 56.287 -0.236 0.000 0.794 469 K CB 2.387 34.731 32.500 -0.259 0.000 1.241 469 K HN 0.444 nan 8.250 nan 0.000 0.428 470 Y N 3.829 123.921 120.300 -0.348 0.000 2.329 470 Y HA 0.364 4.940 4.550 0.043 0.000 0.328 470 Y C -1.656 174.084 175.900 -0.266 0.000 0.992 470 Y CA -0.612 57.333 58.100 -0.258 0.000 1.151 470 Y CB 1.188 39.510 38.460 -0.230 0.000 1.150 470 Y HN 0.501 nan 8.280 nan 0.000 0.450 471 K N 4.922 125.000 120.400 -0.535 0.000 2.652 471 K HA 0.714 5.060 4.320 0.043 0.000 0.249 471 K C -1.878 174.480 176.600 -0.403 0.000 0.986 471 K CA -0.975 55.096 56.287 -0.360 0.000 0.867 471 K CB 2.039 34.497 32.500 -0.070 0.000 1.201 471 K HN 0.512 nan 8.250 nan 0.000 0.450 472 K N 1.747 121.911 120.400 -0.394 0.000 2.555 472 K HA 0.266 4.612 4.320 0.043 0.000 0.279 472 K C -1.713 174.809 176.600 -0.130 0.000 0.986 472 K CA -0.920 55.205 56.287 -0.270 0.000 0.880 472 K CB 2.743 35.029 32.500 -0.357 0.000 1.474 472 K HN 0.612 nan 8.250 nan 0.000 0.433 473 Q N 0.870 120.624 119.800 -0.076 0.000 2.321 473 Q HA 0.379 4.745 4.340 0.043 0.000 0.270 473 Q C -1.630 174.360 176.000 -0.017 0.000 1.032 473 Q CA -0.444 55.340 55.803 -0.031 0.000 0.784 473 Q CB 2.081 30.797 28.738 -0.036 0.000 1.264 473 Q HN 0.519 nan 8.270 nan 0.000 0.448 474 T N 3.484 118.046 114.554 0.013 0.000 2.893 474 T HA 0.618 4.994 4.350 0.043 0.000 0.324 474 T C 0.321 175.031 174.700 0.017 0.000 1.082 474 T CA 0.269 62.382 62.100 0.022 0.000 0.983 474 T CB 0.969 69.867 68.868 0.049 0.000 1.005 474 T HN 0.989 nan 8.240 nan 0.000 0.475 475 G N 3.546 112.337 108.800 -0.015 0.000 2.588 475 G HA2 -0.191 3.795 3.960 0.043 0.000 0.273 475 G HA3 -0.191 3.795 3.960 0.043 0.000 0.273 475 G C 0.833 175.664 174.900 -0.116 0.000 1.211 475 G CA 0.045 45.119 45.100 -0.043 0.000 0.958 475 G HN 1.107 nan 8.290 nan 0.000 0.543 476 G N -0.019 108.631 108.800 -0.251 0.000 3.453 476 G HA2 0.518 4.504 3.960 0.043 0.000 0.263 476 G HA3 0.518 4.504 3.960 0.043 0.000 0.263 476 G C 0.149 174.636 174.900 -0.689 0.000 1.060 476 G CA 0.604 45.438 45.100 -0.444 0.000 0.793 476 G HN 0.864 nan 8.290 nan 0.000 0.532 477 H N -0.358 118.718 119.070 0.012 0.000 2.759 477 H HA 0.526 5.107 4.556 0.043 0.000 0.354 477 H C 0.062 175.401 175.328 0.019 0.000 1.074 477 H CA -0.583 55.477 56.048 0.020 0.000 1.226 477 H CB 1.761 31.543 29.762 0.033 0.000 1.648 477 H HN 0.155 nan 8.280 nan 0.000 0.529 478 G N 0.883 109.757 108.800 0.124 0.000 2.613 478 G HA2 0.430 4.416 3.960 0.043 0.000 0.303 478 G HA3 0.430 4.416 3.960 0.043 0.000 0.303 478 G C -0.730 174.226 174.900 0.093 0.000 1.312 478 G CA -0.439 44.702 45.100 0.069 0.000 1.036 478 G HN 0.340 nan 8.290 nan 0.000 0.513 479 Q N -1.070 118.764 119.800 0.055 0.000 2.372 479 Q HA 0.452 4.818 4.340 0.043 0.000 0.273 479 Q C -2.110 173.946 176.000 0.094 0.000 1.078 479 Q CA -0.690 55.164 55.803 0.085 0.000 0.806 479 Q CB 2.761 31.562 28.738 0.106 0.000 1.332 479 Q HN 0.612 nan 8.270 nan 0.000 0.435 480 Y N -0.493 119.782 120.300 -0.041 0.000 2.358 480 Y HA 0.591 5.167 4.550 0.043 0.000 0.324 480 Y C -1.029 174.678 175.900 -0.323 0.000 1.123 480 Y CA -0.447 57.596 58.100 -0.096 0.000 1.067 480 Y CB 1.808 40.289 38.460 0.035 0.000 1.230 480 Y HN 0.639 nan 8.280 nan 0.000 0.429 481 G N 3.802 112.063 108.800 -0.898 0.000 2.719 481 G HA2 0.478 4.463 3.960 0.043 0.000 0.298 481 G HA3 0.478 4.463 3.960 0.043 0.000 0.298 481 G C -2.388 171.943 174.900 -0.949 0.000 1.433 481 G CA -0.657 43.672 45.100 -1.285 0.000 1.034 481 G HN 0.476 nan 8.290 nan 0.000 0.517 482 D N 1.139 121.164 120.400 -0.625 0.000 2.602 482 D HA 0.482 5.148 4.640 0.043 0.000 0.245 482 D C -1.086 175.247 176.300 0.055 0.000 1.325 482 D CA -0.241 53.600 54.000 -0.264 0.000 0.952 482 D CB 1.908 42.622 40.800 -0.144 0.000 1.317 482 D HN 0.257 nan 8.370 nan 0.000 0.577 483 V N 3.904 123.776 119.914 -0.070 0.000 2.588 483 V HA 0.513 4.659 4.120 0.043 0.000 0.304 483 V C -0.797 175.159 176.094 -0.230 0.000 1.042 483 V CA -0.779 61.529 62.300 0.015 0.000 0.877 483 V CB 1.837 33.736 31.823 0.127 0.000 0.996 483 V HN 0.477 nan 8.190 nan 0.000 0.425 484 W N 5.260 126.428 121.300 -0.221 0.000 2.376 484 W HA 0.743 5.429 4.660 0.043 0.000 0.312 484 W C -0.520 175.752 176.519 -0.411 0.000 1.060 484 W CA -0.366 56.722 57.345 -0.428 0.000 1.221 484 W CB 1.680 30.623 29.460 -0.862 0.000 1.281 484 W HN 0.415 nan 8.180 nan 0.000 0.456 485 L N 4.655 125.933 121.223 0.092 0.000 2.362 485 L HA 0.617 4.983 4.340 0.043 0.000 0.275 485 L C -0.578 176.528 176.870 0.392 0.000 0.998 485 L CA -1.061 53.922 54.840 0.238 0.000 0.820 485 L CB 1.420 43.579 42.059 0.166 0.000 1.270 485 L HN 0.443 nan 8.230 nan 0.000 0.415 486 R N 5.208 125.940 120.500 0.387 0.000 2.494 486 R HA 0.687 5.053 4.340 0.043 0.000 0.305 486 R C -1.823 174.559 176.300 0.136 0.000 0.959 486 R CA -0.645 55.587 56.100 0.219 0.000 0.864 486 R CB 1.096 31.438 30.300 0.070 0.000 1.159 486 R HN 0.776 nan 8.270 nan 0.000 0.446 487 L N 3.831 125.100 121.223 0.078 0.000 2.322 487 L HA 0.502 4.868 4.340 0.043 0.000 0.281 487 L C -0.446 176.470 176.870 0.076 0.000 1.014 487 L CA -0.633 54.254 54.840 0.078 0.000 0.815 487 L CB 2.039 44.062 42.059 -0.060 0.000 1.247 487 L HN 0.651 nan 8.230 nan 0.000 0.421 488 E N 3.594 123.870 120.200 0.127 0.000 2.272 488 E HA 0.391 4.767 4.350 0.043 0.000 0.269 488 E C -2.574 174.109 176.600 0.139 0.000 0.877 488 E CA -2.107 54.350 56.400 0.095 0.000 0.755 488 E CB 2.366 32.100 29.700 0.057 0.000 1.192 488 E HN 0.270 nan 8.360 nan 0.000 0.422 489 P HA 0.083 nan 4.420 nan 0.000 0.266 489 P C -1.294 176.071 177.300 0.107 0.000 1.195 489 P CA 0.291 63.469 63.100 0.131 0.000 0.768 489 P CB 0.681 32.438 31.700 0.096 0.000 0.838 490 A N 1.624 124.512 122.820 0.114 0.000 2.606 490 A HA 0.479 4.824 4.320 0.043 0.000 0.293 490 A C 1.056 178.679 177.584 0.065 0.000 1.082 490 A CA -0.004 52.074 52.037 0.067 0.000 0.685 490 A CB 0.598 19.620 19.000 0.037 0.000 1.284 490 A HN 0.420 nan 8.150 nan 0.000 0.408 491 S N -0.061 115.666 115.700 0.046 0.000 2.428 491 S HA 0.082 4.577 4.470 0.043 0.000 0.230 491 S C 0.383 175.014 174.600 0.052 0.000 1.014 491 S CA 1.328 59.559 58.200 0.053 0.000 0.957 491 S CB -0.257 62.967 63.200 0.040 0.000 0.784 491 S HN 0.710 nan 8.310 nan 0.000 0.499 492 E N -0.762 119.455 120.200 0.029 0.000 2.408 492 E HA 0.351 4.727 4.350 0.043 0.000 0.275 492 E C -1.648 174.940 176.600 -0.020 0.000 0.935 492 E CA -1.051 55.364 56.400 0.026 0.000 0.775 492 E CB 1.104 30.825 29.700 0.035 0.000 1.277 492 E HN 0.327 nan 8.360 nan 0.000 0.455 493 Y N 0.851 121.055 120.300 -0.160 0.000 2.597 493 Y HA 0.366 4.942 4.550 0.044 0.000 0.336 493 Y C 0.073 175.896 175.900 -0.128 0.000 1.216 493 Y CA 0.781 58.714 58.100 -0.280 0.000 1.463 493 Y CB 0.775 39.045 38.460 -0.317 0.000 1.303 493 Y HN 0.520 nan 8.280 nan 0.000 0.576 494 G N 5.401 113.587 108.800 -1.023 0.000 2.759 494 G HA2 0.424 4.410 3.960 0.043 0.000 0.297 494 G HA3 0.424 4.410 3.960 0.043 0.000 0.297 494 G C -2.492 172.015 174.900 -0.654 0.000 1.434 494 G CA -0.811 43.906 45.100 -0.639 0.000 0.980 494 G HN 0.625 nan 8.290 nan 0.000 0.531 495 F N 1.123 120.815 119.950 -0.430 0.000 2.493 495 F HA 0.686 5.239 4.527 0.044 0.000 0.329 495 F C -0.305 175.506 175.800 0.018 0.000 1.126 495 F CA -0.745 57.177 58.000 -0.130 0.000 0.937 495 F CB 2.034 41.062 39.000 0.046 0.000 1.146 495 F HN 0.383 nan 8.300 nan 0.000 0.442 496 E N 6.168 126.012 120.200 -0.594 0.000 2.191 496 E HA 0.068 4.444 4.350 0.043 0.000 0.263 496 E C -1.567 174.803 176.600 -0.383 0.000 0.881 496 E CA -0.730 55.477 56.400 -0.322 0.000 0.757 496 E CB 1.587 31.190 29.700 -0.162 0.000 1.147 496 E HN 0.697 nan 8.360 nan 0.000 0.414 497 W N 5.513 126.640 121.300 -0.290 0.000 2.342 497 W HA 0.194 4.880 4.660 0.043 0.000 0.310 497 W C -0.377 176.107 176.519 -0.058 0.000 1.128 497 W CA -0.466 56.802 57.345 -0.129 0.000 1.322 497 W CB 0.642 30.140 29.460 0.063 0.000 1.251 497 W HN 0.413 nan 8.180 nan 0.000 0.439 498 R N 6.175 126.512 120.500 -0.272 0.000 2.662 498 R HA 0.176 4.541 4.340 0.043 0.000 0.396 498 R C 0.144 176.240 176.300 -0.339 0.000 1.096 498 R CA -0.532 55.444 56.100 -0.207 0.000 1.081 498 R CB 0.106 30.355 30.300 -0.085 0.000 1.382 498 R HN 0.369 nan 8.270 nan 0.000 0.580 499 I N 2.583 122.693 120.570 -0.766 0.000 2.588 499 I HA 0.009 4.205 4.170 0.043 0.000 0.283 499 I C 1.166 177.115 176.117 -0.280 0.000 1.119 499 I CA 0.738 61.655 61.300 -0.639 0.000 1.419 499 I CB 0.866 38.209 38.000 -1.094 0.000 1.394 499 I HN 0.092 nan 8.210 nan 0.000 0.562 500 T N 0.768 115.235 114.554 -0.145 0.000 2.930 500 T HA 0.629 5.004 4.350 0.043 0.000 0.290 500 T C 0.782 175.474 174.700 -0.014 0.000 1.052 500 T CA -0.140 61.928 62.100 -0.054 0.000 1.017 500 T CB 1.894 70.738 68.868 -0.039 0.000 1.137 500 T HN 0.986 nan 8.240 nan 0.000 0.511 501 G N 0.136 108.944 108.800 0.014 0.000 2.166 501 G HA2 0.086 4.072 3.960 0.043 0.000 0.260 501 G HA3 0.086 4.072 3.960 0.043 0.000 0.260 501 G C 1.228 176.167 174.900 0.064 0.000 0.986 501 G CA 0.725 45.845 45.100 0.034 0.000 0.683 501 G HN 2.481 nan 8.290 nan 0.000 0.527 502 G N -1.789 107.055 108.800 0.073 0.000 2.225 502 G HA2 -0.086 3.900 3.960 0.043 0.000 0.267 502 G HA3 -0.086 3.900 3.960 0.043 0.000 0.267 502 G C 1.705 176.700 174.900 0.159 0.000 1.024 502 G CA 1.845 47.011 45.100 0.111 0.000 0.784 502 G HN 2.193 nan 8.290 nan 0.000 0.507 503 V N -2.798 117.196 119.914 0.132 0.000 2.720 503 V HA 0.308 4.454 4.120 0.043 0.000 0.256 503 V C 1.279 177.562 176.094 0.315 0.000 1.082 503 V CA 1.656 64.077 62.300 0.202 0.000 1.101 503 V CB -0.238 31.655 31.823 0.118 0.000 0.693 503 V HN 0.529 nan 8.190 nan 0.000 0.479 504 I N 1.038 121.721 120.570 0.188 0.000 2.499 504 I HA 0.486 4.682 4.170 0.043 0.000 0.288 504 I C -2.723 173.462 176.117 0.114 0.000 1.048 504 I CA -2.239 59.156 61.300 0.159 0.000 1.062 504 I CB 2.444 40.529 38.000 0.142 0.000 1.238 504 I HN 0.011 nan 8.210 nan 0.000 0.426 505 P HA 0.066 nan 4.420 nan 0.000 0.271 505 P C 0.721 177.994 177.300 -0.045 0.000 1.218 505 P CA -0.238 62.767 63.100 -0.158 0.000 0.780 505 P CB 0.737 32.171 31.700 -0.443 0.000 0.901 506 S N 2.762 118.434 115.700 -0.048 0.000 2.440 506 S HA -0.227 4.269 4.470 0.043 0.000 0.238 506 S C 1.415 175.801 174.600 -0.357 0.000 1.010 506 S CA 1.144 59.221 58.200 -0.206 0.000 0.972 506 S CB -0.903 62.201 63.200 -0.160 0.000 0.774 506 S HN 0.607 nan 8.310 nan 0.000 0.501 507 K N -0.230 119.953 120.400 -0.361 0.000 2.442 507 K HA -0.081 4.265 4.320 0.043 0.000 0.198 507 K C 0.794 177.130 176.600 -0.439 0.000 1.044 507 K CA 1.061 57.099 56.287 -0.416 0.000 0.948 507 K CB -0.453 31.756 32.500 -0.484 0.000 0.762 507 K HN 0.448 nan 8.250 nan 0.000 0.472 508 Y N 1.499 121.626 120.300 -0.288 0.000 2.457 508 Y HA 0.138 4.714 4.550 0.043 0.000 0.263 508 Y C 2.273 177.979 175.900 -0.324 0.000 1.164 508 Y CA -0.488 57.426 58.100 -0.310 0.000 1.274 508 Y CB 0.005 38.112 38.460 -0.589 0.000 1.097 508 Y HN 0.204 nan 8.280 nan 0.000 0.523 509 Q N 0.925 120.477 119.800 -0.413 0.000 2.096 509 Q HA -0.255 4.110 4.340 0.043 0.000 0.204 509 Q C 2.151 177.968 176.000 -0.306 0.000 0.982 509 Q CA 1.969 57.409 55.803 -0.605 0.000 0.850 509 Q CB 0.004 28.101 28.738 -1.067 0.000 0.901 509 Q HN 0.604 nan 8.270 nan 0.000 0.422 510 E N -0.508 119.541 120.200 -0.253 0.000 2.077 510 E HA -0.217 4.159 4.350 0.043 0.000 0.193 510 E C 1.793 178.319 176.600 -0.123 0.000 0.989 510 E CA 1.044 57.327 56.400 -0.195 0.000 0.800 510 E CB -0.143 29.470 29.700 -0.145 0.000 0.746 510 E HN 0.463 nan 8.360 nan 0.000 0.452 511 A N 0.932 123.734 122.820 -0.029 0.000 1.933 511 A HA -0.135 4.210 4.320 0.043 0.000 0.218 511 A C 2.137 179.753 177.584 0.055 0.000 1.175 511 A CA 1.119 53.181 52.037 0.043 0.000 0.628 511 A CB -0.502 18.591 19.000 0.155 0.000 0.814 511 A HN 0.314 nan 8.150 nan 0.000 0.444 512 I N -0.827 119.791 120.570 0.080 0.000 2.202 512 I HA -0.239 3.957 4.170 0.043 0.000 0.242 512 I C 2.557 178.710 176.117 0.060 0.000 1.091 512 I CA 1.761 63.166 61.300 0.175 0.000 1.368 512 I CB -0.306 37.912 38.000 0.363 0.000 1.058 512 I HN 0.510 nan 8.210 nan 0.000 0.410 513 E N 1.143 121.205 120.200 -0.229 0.000 2.110 513 E HA -0.262 4.114 4.350 0.043 0.000 0.193 513 E C 2.011 178.512 176.600 -0.166 0.000 0.988 513 E CA 1.357 57.479 56.400 -0.464 0.000 0.804 513 E CB 0.062 29.211 29.700 -0.917 0.000 0.745 513 E HN 0.448 nan 8.360 nan 0.000 0.458 514 E N -0.508 119.615 120.200 -0.128 0.000 2.058 514 E HA -0.181 4.195 4.350 0.043 0.000 0.194 514 E C 2.068 178.635 176.600 -0.055 0.000 0.997 514 E CA 0.985 57.334 56.400 -0.085 0.000 0.801 514 E CB -0.286 29.376 29.700 -0.063 0.000 0.746 514 E HN 0.441 nan 8.360 nan 0.000 0.450 515 G N 0.913 109.704 108.800 -0.015 0.000 2.422 515 G HA2 -0.234 3.752 3.960 0.043 0.000 0.218 515 G HA3 -0.234 3.752 3.960 0.043 0.000 0.218 515 G C 1.573 176.464 174.900 -0.016 0.000 1.146 515 G CA 0.565 45.661 45.100 -0.006 0.000 0.769 515 G HN 0.114 nan 8.290 nan 0.000 0.547 516 I N 0.180 120.773 120.570 0.038 0.000 2.202 516 I HA -0.087 4.109 4.170 0.043 0.000 0.242 516 I C 2.781 178.799 176.117 -0.164 0.000 1.091 516 I CA 1.104 62.419 61.300 0.026 0.000 1.368 516 I CB -0.066 38.123 38.000 0.313 0.000 1.058 516 I HN 0.061 nan 8.210 nan 0.000 0.410 517 K N 0.517 120.872 120.400 -0.075 0.000 2.097 517 K HA -0.200 4.145 4.320 0.043 0.000 0.206 517 K C 1.991 178.482 176.600 -0.181 0.000 1.049 517 K CA 1.503 57.705 56.287 -0.142 0.000 0.933 517 K CB -0.142 32.261 32.500 -0.161 0.000 0.717 517 K HN 0.382 nan 8.250 nan 0.000 0.442 518 E N 0.436 120.547 120.200 -0.148 0.000 2.072 518 E HA -0.163 4.213 4.350 0.043 0.000 0.191 518 E C 1.997 178.503 176.600 -0.157 0.000 0.985 518 E CA 1.077 57.401 56.400 -0.127 0.000 0.801 518 E CB -0.085 29.561 29.700 -0.090 0.000 0.750 518 E HN 0.320 nan 8.360 nan 0.000 0.452 519 A N 1.250 123.936 122.820 -0.223 0.000 2.014 519 A HA 0.036 4.382 4.320 0.043 0.000 0.218 519 A C 2.293 179.646 177.584 -0.386 0.000 1.163 519 A CA 1.224 53.127 52.037 -0.223 0.000 0.652 519 A CB -0.345 18.579 19.000 -0.126 0.000 0.808 519 A HN 0.263 nan 8.150 nan 0.000 0.449 520 A N -0.142 122.282 122.820 -0.659 0.000 2.168 520 A HA -0.037 4.309 4.320 0.043 0.000 0.215 520 A C 1.915 179.435 177.584 -0.106 0.000 1.152 520 A CA 1.343 53.073 52.037 -0.511 0.000 0.716 520 A CB -0.337 18.463 19.000 -0.334 0.000 0.794 520 A HN 0.541 nan 8.150 nan 0.000 0.465 521 K N -0.240 120.099 120.400 -0.102 0.000 2.211 521 K HA -0.040 4.306 4.320 0.043 0.000 0.203 521 K C -0.050 176.561 176.600 0.018 0.000 1.050 521 K CA 0.947 57.217 56.287 -0.029 0.000 0.945 521 K CB 0.006 32.480 32.500 -0.043 0.000 0.732 521 K HN 0.285 nan 8.250 nan 0.000 0.451 522 K N 1.004 121.413 120.400 0.014 0.000 2.626 522 K HA 0.197 4.543 4.320 0.043 0.000 0.223 522 K C -0.393 176.255 176.600 0.080 0.000 0.992 522 K CA -0.502 55.805 56.287 0.033 0.000 1.024 522 K CB 1.833 34.332 32.500 -0.002 0.000 1.225 522 K HN 0.047 nan 8.250 nan 0.000 0.498 523 G N 0.493 109.366 108.800 0.121 0.000 2.614 523 G HA2 0.067 4.053 3.960 0.043 0.000 0.239 523 G HA3 0.067 4.053 3.960 0.043 0.000 0.239 523 G C 1.210 176.158 174.900 0.080 0.000 1.240 523 G CA -0.482 44.709 45.100 0.152 0.000 0.842 523 G HN 0.391 nan 8.290 nan 0.000 0.584 524 V N 0.484 120.435 119.914 0.062 0.000 2.809 524 V HA -0.029 4.117 4.120 0.043 0.000 0.256 524 V C 2.304 178.396 176.094 -0.003 0.000 1.080 524 V CA 1.316 63.623 62.300 0.011 0.000 1.102 524 V CB -0.649 31.160 31.823 -0.022 0.000 0.705 524 V HN 0.464 nan 8.190 nan 0.000 0.475 525 L N 1.224 122.457 121.223 0.017 0.000 2.023 525 L HA 0.373 4.739 4.340 0.043 0.000 0.205 525 L C 1.949 178.824 176.870 0.009 0.000 1.073 525 L CA 2.339 57.186 54.840 0.012 0.000 0.745 525 L CB -0.588 41.493 42.059 0.037 0.000 0.900 525 L HN 0.442 nan 8.230 nan 0.000 0.435 526 A N -2.691 120.141 122.820 0.019 0.000 2.596 526 A HA 0.541 4.887 4.320 0.043 0.000 0.276 526 A C 1.124 178.522 177.584 -0.311 0.000 0.962 526 A CA 0.372 52.361 52.037 -0.081 0.000 1.010 526 A CB -0.369 18.659 19.000 0.045 0.000 1.220 526 A HN 0.794 nan 8.150 nan 0.000 0.549 527 G N -0.719 107.977 108.800 -0.175 0.000 2.153 527 G HA2 -0.284 3.702 3.960 0.043 0.000 0.252 527 G HA3 -0.284 3.702 3.960 0.043 0.000 0.252 527 G C 0.000 174.764 174.900 -0.227 0.000 0.994 527 G CA 0.594 45.568 45.100 -0.210 0.000 0.698 527 G HN 0.499 nan 8.290 nan 0.000 0.521 528 F N 0.333 120.327 119.950 0.074 0.000 2.380 528 F HA 0.538 5.091 4.527 0.043 0.000 0.321 528 F C -1.562 174.285 175.800 0.078 0.000 1.103 528 F CA -2.576 55.480 58.000 0.092 0.000 1.067 528 F CB 1.088 40.171 39.000 0.139 0.000 1.265 528 F HN -0.177 nan 8.300 nan 0.000 0.517 529 P HA 0.012 nan 4.420 nan 0.000 0.266 529 P C -1.001 176.398 177.300 0.166 0.000 1.195 529 P CA 0.083 63.274 63.100 0.151 0.000 0.768 529 P CB 0.473 32.226 31.700 0.087 0.000 0.838 530 V N 4.546 124.579 119.914 0.198 0.000 2.472 530 V HA 0.589 4.734 4.120 0.043 0.000 0.290 530 V C 0.502 176.833 176.094 0.395 0.000 1.037 530 V CA -0.157 62.330 62.300 0.311 0.000 0.908 530 V CB 0.875 32.949 31.823 0.418 0.000 0.985 530 V HN 0.584 nan 8.190 nan 0.000 0.454 531 M N 1.565 121.380 119.600 0.358 0.000 2.948 531 M HA 0.859 5.365 4.480 0.043 0.000 0.278 531 M C 0.466 176.953 176.300 0.311 0.000 1.293 531 M CA -0.235 55.213 55.300 0.247 0.000 0.777 531 M CB 1.865 34.486 32.600 0.035 0.000 1.713 531 M HN 0.951 nan 8.290 nan 0.000 0.444 532 G N 1.399 110.282 108.800 0.138 0.000 2.314 532 G HA2 -0.171 3.815 3.960 0.043 0.000 0.292 532 G HA3 -0.171 3.815 3.960 0.043 0.000 0.292 532 G C -0.835 174.216 174.900 0.250 0.000 1.059 532 G CA 0.702 45.894 45.100 0.153 0.000 0.982 532 G HN 1.425 nan 8.290 nan 0.000 0.505 533 F N -2.316 117.736 119.950 0.170 0.000 2.631 533 F HA 0.845 5.398 4.527 0.043 0.000 0.308 533 F C -0.561 175.290 175.800 0.086 0.000 1.097 533 F CA -2.011 56.076 58.000 0.144 0.000 0.952 533 F CB 1.588 40.712 39.000 0.206 0.000 1.307 533 F HN 0.113 nan 8.300 nan 0.000 0.450 534 K N 2.222 122.761 120.400 0.231 0.000 2.206 534 K HA 0.829 5.175 4.320 0.043 0.000 0.264 534 K C -1.355 175.399 176.600 0.255 0.000 0.967 534 K CA -0.832 55.491 56.287 0.060 0.000 0.844 534 K CB 1.672 34.178 32.500 0.009 0.000 1.099 534 K HN 1.018 nan 8.250 nan 0.000 0.441 535 A N 5.916 128.864 122.820 0.214 0.000 2.271 535 A HA 0.519 4.865 4.320 0.043 0.000 0.317 535 A C -0.682 176.909 177.584 0.012 0.000 1.245 535 A CA -0.800 51.414 52.037 0.296 0.000 0.857 535 A CB 0.197 19.549 19.000 0.587 0.000 1.175 535 A HN 0.762 nan 8.150 nan 0.000 0.512 536 I N 3.244 123.838 120.570 0.039 0.000 2.382 536 I HA 0.280 4.476 4.170 0.043 0.000 0.286 536 I C -0.668 175.494 176.117 0.074 0.000 1.002 536 I CA -0.799 60.478 61.300 -0.039 0.000 1.135 536 I CB 1.949 39.957 38.000 0.013 0.000 1.288 536 I HN 0.273 nan 8.210 nan 0.000 0.448 537 V N 7.429 127.301 119.914 -0.069 0.000 2.348 537 V HA 0.095 4.241 4.120 0.043 0.000 0.270 537 V C 0.077 176.110 176.094 -0.102 0.000 1.037 537 V CA -0.157 62.134 62.300 -0.016 0.000 0.872 537 V CB 0.542 32.401 31.823 0.058 0.000 1.002 537 V HN 0.760 nan 8.190 nan 0.000 0.464 538 Y N 2.995 123.237 120.300 -0.097 0.000 2.453 538 Y HA 0.514 5.090 4.550 0.043 0.000 0.247 538 Y C 0.369 176.198 175.900 -0.119 0.000 1.124 538 Y CA -0.607 57.410 58.100 -0.137 0.000 1.243 538 Y CB 0.225 38.635 38.460 -0.084 0.000 1.213 538 Y HN 0.550 nan 8.280 nan 0.000 0.523 539 N N -0.839 117.628 118.700 -0.388 0.000 3.116 539 N HA 0.534 5.300 4.740 0.043 0.000 0.244 539 N C -0.947 174.583 175.510 0.032 0.000 1.485 539 N CA -0.218 52.698 53.050 -0.223 0.000 0.884 539 N CB 1.641 39.875 38.487 -0.422 0.000 1.415 539 N HN 0.437 nan 8.380 nan 0.000 0.524 540 G N -0.107 108.805 108.800 0.186 0.000 2.345 540 G HA2 0.389 4.375 3.960 0.043 0.000 0.285 540 G HA3 0.389 4.375 3.960 0.043 0.000 0.285 540 G C -1.855 173.224 174.900 0.298 0.000 1.297 540 G CA 0.092 45.388 45.100 0.328 0.000 0.875 540 G HN 1.111 nan 8.290 nan 0.000 0.506 541 S N -1.626 114.307 115.700 0.388 0.000 2.611 541 S HA 0.862 5.358 4.470 0.043 0.000 0.268 541 S C -1.161 173.828 174.600 0.648 0.000 1.156 541 S CA -0.115 58.327 58.200 0.402 0.000 0.817 541 S CB 1.913 65.267 63.200 0.258 0.000 1.122 541 S HN 2.446 nan 8.310 nan 0.000 0.466 542 Y N -0.976 119.505 120.300 0.301 0.000 2.655 542 Y HA 0.806 5.382 4.550 0.043 0.000 0.336 542 Y C -1.601 174.239 175.900 -0.100 0.000 1.154 542 Y CA -1.072 57.253 58.100 0.375 0.000 1.055 542 Y CB 0.927 39.730 38.460 0.573 0.000 1.295 542 Y HN 0.890 nan 8.280 nan 0.000 0.465 543 H N 1.870 120.902 119.070 -0.063 0.000 2.609 543 H HA 0.219 4.801 4.556 0.043 0.000 0.344 543 H C 0.375 175.720 175.328 0.028 0.000 1.040 543 H CA -0.484 55.385 56.048 -0.299 0.000 1.216 543 H CB 2.317 31.855 29.762 -0.374 0.000 1.529 543 H HN 0.953 nan 8.280 nan 0.000 0.519 544 E N 2.929 123.185 120.200 0.093 0.000 2.136 544 E HA -0.162 4.214 4.350 0.043 0.000 0.202 544 E C 1.576 178.325 176.600 0.247 0.000 1.019 544 E CA 1.824 58.392 56.400 0.279 0.000 0.819 544 E CB -0.091 29.712 29.700 0.171 0.000 0.739 544 E HN 0.396 nan 8.360 nan 0.000 0.458 545 V N 0.386 120.399 119.914 0.164 0.000 2.249 545 V HA -0.150 3.996 4.120 0.043 0.000 0.239 545 V C 1.175 177.368 176.094 0.165 0.000 1.038 545 V CA 2.423 64.803 62.300 0.133 0.000 1.005 545 V CB -0.443 31.416 31.823 0.059 0.000 0.646 545 V HN 0.212 nan 8.190 nan 0.000 0.455 546 D N 0.434 120.927 120.400 0.155 0.000 2.347 546 D HA 0.084 4.750 4.640 0.043 0.000 0.215 546 D C 1.084 177.527 176.300 0.239 0.000 0.976 546 D CA 0.384 54.490 54.000 0.175 0.000 0.884 546 D CB -0.096 40.783 40.800 0.132 0.000 0.915 546 D HN 0.373 nan 8.370 nan 0.000 0.526 547 S N 0.045 115.941 115.700 0.326 0.000 2.580 547 S HA 0.448 4.944 4.470 0.043 0.000 0.274 547 S C 0.425 175.214 174.600 0.315 0.000 1.329 547 S CA -0.469 57.929 58.200 0.332 0.000 1.036 547 S CB 0.987 64.531 63.200 0.575 0.000 0.919 547 S HN 0.309 nan 8.310 nan 0.000 0.515 548 S N 1.379 117.179 115.700 0.166 0.000 2.672 548 S HA 0.408 4.904 4.470 0.043 0.000 0.271 548 S C -0.140 174.581 174.600 0.201 0.000 1.171 548 S CA -0.824 57.529 58.200 0.256 0.000 0.817 548 S CB 0.711 64.020 63.200 0.182 0.000 1.150 548 S HN 0.420 nan 8.310 nan 0.000 0.478 549 D N 0.287 120.864 120.400 0.295 0.000 2.117 549 D HA -0.037 4.629 4.640 0.043 0.000 0.198 549 D C 1.868 178.246 176.300 0.131 0.000 0.982 549 D CA 1.185 55.335 54.000 0.251 0.000 0.828 549 D CB -0.359 40.562 40.800 0.203 0.000 0.967 549 D HN 0.380 nan 8.370 nan 0.000 0.464 550 L N 1.160 122.433 121.223 0.082 0.000 2.017 550 L HA -0.092 4.274 4.340 0.043 0.000 0.208 550 L C 2.148 178.988 176.870 -0.050 0.000 1.073 550 L CA 1.912 56.758 54.840 0.011 0.000 0.745 550 L CB -0.747 41.323 42.059 0.018 0.000 0.894 550 L HN -0.037 nan 8.230 nan 0.000 0.432 551 A N -1.087 121.721 122.820 -0.019 0.000 1.933 551 A HA -0.210 4.136 4.320 0.043 0.000 0.218 551 A C 2.164 179.598 177.584 -0.251 0.000 1.175 551 A CA 2.021 54.014 52.037 -0.073 0.000 0.628 551 A CB -1.122 17.833 19.000 -0.075 0.000 0.814 551 A HN 0.513 nan 8.150 nan 0.000 0.444 552 F N -0.114 119.765 119.950 -0.119 0.000 2.293 552 F HA -0.106 4.447 4.527 0.043 0.000 0.297 552 F C 2.755 178.518 175.800 -0.062 0.000 1.089 552 F CA 1.437 59.369 58.000 -0.114 0.000 1.377 552 F CB -0.095 38.795 39.000 -0.184 0.000 1.051 552 F HN 0.280 nan 8.300 nan 0.000 0.511 553 Q N 0.198 120.045 119.800 0.079 0.000 2.079 553 Q HA -0.172 4.194 4.340 0.043 0.000 0.200 553 Q C 2.291 178.259 176.000 -0.053 0.000 0.974 553 Q CA 1.629 57.445 55.803 0.023 0.000 0.840 553 Q CB -0.206 28.525 28.738 -0.012 0.000 0.898 553 Q HN 0.472 nan 8.270 nan 0.000 0.430 554 I N 0.694 121.164 120.570 -0.167 0.000 2.202 554 I HA -0.248 3.948 4.170 0.043 0.000 0.242 554 I C 2.484 178.491 176.117 -0.184 0.000 1.091 554 I CA 0.911 62.044 61.300 -0.279 0.000 1.368 554 I CB -0.486 37.101 38.000 -0.688 0.000 1.058 554 I HN 0.142 nan 8.210 nan 0.000 0.410 555 A N 0.924 123.649 122.820 -0.158 0.000 1.908 555 A HA -0.198 4.148 4.320 0.043 0.000 0.218 555 A C 2.542 180.110 177.584 -0.027 0.000 1.181 555 A CA 2.036 54.007 52.037 -0.110 0.000 0.627 555 A CB -0.834 18.051 19.000 -0.192 0.000 0.818 555 A HN 0.450 nan 8.150 nan 0.000 0.445 556 A N -0.924 121.927 122.820 0.052 0.000 1.898 556 A HA -0.081 4.265 4.320 0.043 0.000 0.216 556 A C 2.489 180.142 177.584 0.115 0.000 1.181 556 A CA 2.141 54.254 52.037 0.127 0.000 0.620 556 A CB -0.936 18.176 19.000 0.187 0.000 0.819 556 A HN 0.598 nan 8.150 nan 0.000 0.442 557 S N -0.420 115.311 115.700 0.052 0.000 2.368 557 S HA -0.095 4.401 4.470 0.043 0.000 0.225 557 S C 1.965 176.610 174.600 0.075 0.000 1.030 557 S CA 1.401 59.634 58.200 0.055 0.000 0.999 557 S CB -0.502 62.687 63.200 -0.019 0.000 0.844 557 S HN 0.485 nan 8.310 nan 0.000 0.459 558 L N 1.038 122.265 121.223 0.007 0.000 2.046 558 L HA -0.097 4.269 4.340 0.043 0.000 0.208 558 L C 2.986 179.851 176.870 -0.009 0.000 1.077 558 L CA 1.291 56.124 54.840 -0.012 0.000 0.747 558 L CB -0.766 41.264 42.059 -0.048 0.000 0.896 558 L HN 0.439 nan 8.230 nan 0.000 0.432 559 A N -0.214 122.603 122.820 -0.004 0.000 1.902 559 A HA -0.267 4.079 4.320 0.043 0.000 0.217 559 A C 2.171 179.767 177.584 0.020 0.000 1.181 559 A CA 1.499 53.522 52.037 -0.023 0.000 0.623 559 A CB -0.836 18.157 19.000 -0.011 0.000 0.818 559 A HN 0.383 nan 8.150 nan 0.000 0.443 560 F N 0.889 120.824 119.950 -0.026 0.000 2.095 560 F HA -0.194 4.359 4.527 0.043 0.000 0.298 560 F C 2.220 177.979 175.800 -0.068 0.000 1.104 560 F CA 2.156 60.129 58.000 -0.045 0.000 1.232 560 F CB 0.007 38.986 39.000 -0.034 0.000 0.987 560 F HN 0.028 nan 8.300 nan 0.000 0.475 561 K N 0.761 121.221 120.400 0.099 0.000 2.032 561 K HA -0.240 4.106 4.320 0.043 0.000 0.209 561 K C 2.113 178.651 176.600 -0.104 0.000 1.048 561 K CA 1.731 58.023 56.287 0.008 0.000 0.927 561 K CB -0.792 31.738 32.500 0.051 0.000 0.712 561 K HN 0.350 nan 8.250 nan 0.000 0.441 562 K N 1.147 121.493 120.400 -0.090 0.000 2.026 562 K HA -0.104 4.242 4.320 0.043 0.000 0.208 562 K C 2.071 178.595 176.600 -0.127 0.000 1.048 562 K CA 1.259 57.489 56.287 -0.094 0.000 0.929 562 K CB 0.054 32.503 32.500 -0.085 0.000 0.713 562 K HN -0.110 nan 8.250 nan 0.000 0.439 563 V N 1.841 121.654 119.914 -0.168 0.000 2.358 563 V HA -0.254 3.892 4.120 0.043 0.000 0.246 563 V C 2.479 178.421 176.094 -0.254 0.000 1.047 563 V CA 1.978 64.173 62.300 -0.174 0.000 1.035 563 V CB -0.471 31.262 31.823 -0.150 0.000 0.658 563 V HN 0.482 nan 8.190 nan 0.000 0.452 564 M N 0.541 119.872 119.600 -0.449 0.000 2.149 564 M HA -0.177 4.329 4.480 0.043 0.000 0.261 564 M C 2.052 178.220 176.300 -0.220 0.000 1.064 564 M CA 2.170 57.202 55.300 -0.447 0.000 1.102 564 M CB -0.273 31.924 32.600 -0.672 0.000 1.369 564 M HN 0.342 nan 8.290 nan 0.000 0.408 565 A N 0.209 122.927 122.820 -0.170 0.000 2.067 565 A HA -0.150 4.196 4.320 0.043 0.000 0.219 565 A C 1.629 179.171 177.584 -0.069 0.000 1.158 565 A CA 1.658 53.635 52.037 -0.100 0.000 0.661 565 A CB -0.594 18.359 19.000 -0.078 0.000 0.801 565 A HN 0.750 nan 8.150 nan 0.000 0.452 566 E N -0.595 119.565 120.200 -0.067 0.000 2.474 566 E HA 0.283 4.659 4.350 0.043 0.000 0.195 566 E C 1.058 177.654 176.600 -0.006 0.000 1.039 566 E CA 0.347 56.731 56.400 -0.026 0.000 0.881 566 E CB 0.170 29.858 29.700 -0.020 0.000 0.970 566 E HN 0.514 nan 8.360 nan 0.000 0.486 567 A N 1.272 124.075 122.820 -0.028 0.000 2.462 567 A HA 0.003 4.349 4.320 0.043 0.000 0.261 567 A C 0.127 177.765 177.584 0.091 0.000 1.323 567 A CA -0.257 51.785 52.037 0.008 0.000 0.913 567 A CB -0.465 18.506 19.000 -0.047 0.000 1.028 567 A HN 0.400 nan 8.150 nan 0.000 0.511 568 H N 0.085 119.141 119.070 -0.023 0.000 2.604 568 H HA -0.101 4.481 4.556 0.043 0.000 0.324 568 H C -2.530 172.801 175.328 0.004 0.000 1.068 568 H CA 0.748 56.791 56.048 -0.007 0.000 1.091 568 H CB -0.771 28.991 29.762 0.001 0.000 1.611 568 H HN 0.393 nan 8.280 nan 0.000 0.387 569 P HA 0.203 nan 4.420 nan 0.000 0.271 569 P C -0.099 177.146 177.300 -0.091 0.000 1.218 569 P CA 0.080 63.143 63.100 -0.061 0.000 0.780 569 P CB 1.752 33.418 31.700 -0.056 0.000 0.901 570 V N 0.550 120.475 119.914 0.018 0.000 3.049 570 V HA 0.516 4.662 4.120 0.043 0.000 0.309 570 V C -0.705 175.439 176.094 0.083 0.000 1.148 570 V CA -1.386 60.936 62.300 0.038 0.000 0.990 570 V CB 1.844 33.722 31.823 0.091 0.000 1.039 570 V HN 0.316 nan 8.190 nan 0.000 0.430 571 L N 3.208 124.477 121.223 0.076 0.000 2.349 571 L HA 0.652 5.017 4.340 0.043 0.000 0.275 571 L C -0.511 176.440 176.870 0.135 0.000 1.115 571 L CA 0.242 55.140 54.840 0.098 0.000 0.820 571 L CB 0.634 42.716 42.059 0.039 0.000 1.135 571 L HN 0.733 nan 8.230 nan 0.000 0.445 572 L N 4.481 125.819 121.223 0.192 0.000 2.341 572 L HA 0.650 5.016 4.340 0.043 0.000 0.267 572 L C -0.588 176.531 176.870 0.415 0.000 1.009 572 L CA -0.719 54.294 54.840 0.288 0.000 0.819 572 L CB 2.009 44.258 42.059 0.316 0.000 1.323 572 L HN 0.691 nan 8.230 nan 0.000 0.425 573 E N 1.744 122.162 120.200 0.362 0.000 2.343 573 E HA 0.571 4.946 4.350 0.043 0.000 0.270 573 E C -2.922 173.573 176.600 -0.175 0.000 0.895 573 E CA -2.268 54.257 56.400 0.207 0.000 0.767 573 E CB 2.595 32.435 29.700 0.234 0.000 1.248 573 E HN 0.165 nan 8.360 nan 0.000 0.440 574 P HA 0.217 nan 4.420 nan 0.000 0.280 574 P C -0.527 176.632 177.300 -0.236 0.000 1.244 574 P CA -0.339 62.405 63.100 -0.593 0.000 0.784 574 P CB 0.712 32.230 31.700 -0.303 0.000 0.913 575 I N 3.889 124.207 120.570 -0.420 0.000 2.404 575 I HA 0.342 4.538 4.170 0.043 0.000 0.293 575 I C 0.099 176.042 176.117 -0.290 0.000 0.992 575 I CA -0.929 60.160 61.300 -0.352 0.000 1.149 575 I CB 0.636 38.208 38.000 -0.714 0.000 1.315 575 I HN 0.320 nan 8.210 nan 0.000 0.446 576 Y N 4.314 124.463 120.300 -0.252 0.000 2.509 576 Y HA 0.511 5.087 4.550 0.043 0.000 0.341 576 Y C 0.463 176.304 175.900 -0.098 0.000 1.038 576 Y CA -1.079 56.927 58.100 -0.157 0.000 1.089 576 Y CB 1.491 39.917 38.460 -0.057 0.000 1.241 576 Y HN 0.431 nan 8.280 nan 0.000 0.468 577 R N 2.944 123.466 120.500 0.037 0.000 2.221 577 R HA 0.542 4.908 4.340 0.043 0.000 0.327 577 R C -1.322 175.049 176.300 0.118 0.000 1.033 577 R CA -0.535 55.598 56.100 0.055 0.000 0.887 577 R CB 0.929 31.245 30.300 0.026 0.000 1.057 577 R HN 0.530 nan 8.270 nan 0.000 0.455 578 L N 3.616 124.895 121.223 0.094 0.000 2.325 578 L HA 0.439 4.805 4.340 0.043 0.000 0.281 578 L C -1.010 175.924 176.870 0.106 0.000 1.004 578 L CA -0.736 54.159 54.840 0.092 0.000 0.823 578 L CB 1.614 43.650 42.059 -0.038 0.000 1.236 578 L HN 0.787 nan 8.230 nan 0.000 0.415 579 K N 4.691 125.178 120.400 0.145 0.000 2.235 579 K HA 0.601 4.947 4.320 0.043 0.000 0.266 579 K C -1.189 175.482 176.600 0.118 0.000 0.980 579 K CA -0.631 55.706 56.287 0.083 0.000 0.849 579 K CB 2.607 35.164 32.500 0.095 0.000 1.098 579 K HN 0.364 nan 8.250 nan 0.000 0.445 580 V N 4.274 124.221 119.914 0.056 0.000 2.531 580 V HA 0.259 4.405 4.120 0.043 0.000 0.301 580 V C -0.817 175.305 176.094 0.047 0.000 1.034 580 V CA -0.992 61.386 62.300 0.131 0.000 0.865 580 V CB 1.807 33.739 31.823 0.182 0.000 0.995 580 V HN 0.594 nan 8.190 nan 0.000 0.424 581 L N 5.075 126.338 121.223 0.066 0.000 2.272 581 L HA 0.921 5.287 4.340 0.043 0.000 0.289 581 L C -0.054 176.842 176.870 0.042 0.000 1.032 581 L CA 0.142 55.000 54.840 0.030 0.000 0.810 581 L CB 0.858 42.934 42.059 0.027 0.000 1.205 581 L HN 0.871 nan 8.230 nan 0.000 0.422 582 A N 6.704 129.539 122.820 0.026 0.000 2.572 582 A HA 0.823 5.169 4.320 0.043 0.000 0.295 582 A C -2.827 174.766 177.584 0.015 0.000 1.072 582 A CA -1.280 50.772 52.037 0.026 0.000 0.691 582 A CB 1.642 20.662 19.000 0.033 0.000 1.291 582 A HN 0.556 nan 8.150 nan 0.000 0.404 583 P HA 0.070 nan 4.420 nan 0.000 0.266 583 P C 0.549 177.853 177.300 0.007 0.000 1.193 583 P CA 0.235 63.340 63.100 0.007 0.000 0.770 583 P CB 0.565 32.269 31.700 0.006 0.000 0.836 584 Q N 2.058 121.861 119.800 0.005 0.000 2.096 584 Q HA -0.226 4.140 4.340 0.043 0.000 0.204 584 Q C 1.217 177.221 176.000 0.006 0.000 0.982 584 Q CA 1.856 57.663 55.803 0.006 0.000 0.850 584 Q CB -0.845 27.896 28.738 0.004 0.000 0.901 584 Q HN 0.486 nan 8.270 nan 0.000 0.422 585 E N -0.264 119.938 120.200 0.005 0.000 2.347 585 E HA -0.060 4.316 4.350 0.043 0.000 0.196 585 E C 1.544 178.147 176.600 0.005 0.000 1.008 585 E CA 0.300 56.703 56.400 0.004 0.000 0.852 585 E CB 0.161 29.863 29.700 0.003 0.000 0.783 585 E HN 0.196 nan 8.360 nan 0.000 0.505 586 R N 0.144 120.648 120.500 0.007 0.000 2.312 586 R HA 0.082 4.448 4.340 0.043 0.000 0.205 586 R C 1.996 178.303 176.300 0.013 0.000 0.904 586 R CA -0.004 56.100 56.100 0.008 0.000 1.052 586 R CB -0.406 29.898 30.300 0.007 0.000 1.014 586 R HN 0.017 nan 8.270 nan 0.000 0.503 587 V N -0.039 119.883 119.914 0.013 0.000 2.332 587 V HA -0.209 3.937 4.120 0.043 0.000 0.248 587 V C 2.279 178.384 176.094 0.018 0.000 1.055 587 V CA 2.283 64.593 62.300 0.017 0.000 1.038 587 V CB -0.923 30.909 31.823 0.014 0.000 0.651 587 V HN 0.415 nan 8.190 nan 0.000 0.450 588 G N -0.413 108.395 108.800 0.014 0.000 2.440 588 G HA2 -0.263 3.723 3.960 0.043 0.000 0.218 588 G HA3 -0.263 3.723 3.960 0.043 0.000 0.218 588 G C 1.273 176.182 174.900 0.015 0.000 1.154 588 G CA 1.089 46.197 45.100 0.013 0.000 0.767 588 G HN 0.529 nan 8.290 nan 0.000 0.552 589 D N 0.167 120.575 120.400 0.014 0.000 2.144 589 D HA -0.065 4.601 4.640 0.043 0.000 0.200 589 D C 2.782 179.098 176.300 0.026 0.000 0.978 589 D CA 0.675 54.683 54.000 0.014 0.000 0.833 589 D CB -0.225 40.578 40.800 0.006 0.000 0.961 589 D HN 0.210 nan 8.370 nan 0.000 0.470 590 V N 1.700 121.635 119.914 0.035 0.000 2.261 590 V HA -0.233 3.913 4.120 0.043 0.000 0.246 590 V C 2.737 178.867 176.094 0.061 0.000 1.047 590 V CA 1.266 63.604 62.300 0.064 0.000 1.015 590 V CB -0.547 31.317 31.823 0.069 0.000 0.642 590 V HN 0.179 nan 8.190 nan 0.000 0.446 591 L N -0.038 121.208 121.223 0.039 0.000 2.017 591 L HA -0.197 4.168 4.340 0.043 0.000 0.208 591 L C 2.766 179.651 176.870 0.024 0.000 1.073 591 L CA 1.980 56.837 54.840 0.029 0.000 0.745 591 L CB -0.903 41.169 42.059 0.022 0.000 0.894 591 L HN 0.443 nan 8.230 nan 0.000 0.432 592 S N 0.119 115.832 115.700 0.022 0.000 2.365 592 S HA -0.320 4.176 4.470 0.043 0.000 0.225 592 S C 1.697 176.309 174.600 0.020 0.000 1.039 592 S CA 2.293 60.503 58.200 0.017 0.000 1.033 592 S CB -0.326 62.882 63.200 0.013 0.000 0.887 592 S HN 0.597 nan 8.310 nan 0.000 0.447 593 D N -0.058 120.361 120.400 0.031 0.000 2.117 593 D HA -0.032 4.634 4.640 0.043 0.000 0.198 593 D C 2.107 178.431 176.300 0.041 0.000 0.982 593 D CA 1.150 55.175 54.000 0.042 0.000 0.828 593 D CB -0.255 40.585 40.800 0.066 0.000 0.967 593 D HN 0.466 nan 8.370 nan 0.000 0.464 594 L N 0.076 121.322 121.223 0.037 0.000 2.042 594 L HA -0.206 4.160 4.340 0.043 0.000 0.210 594 L C 2.653 179.517 176.870 -0.011 0.000 1.076 594 L CA 1.317 56.154 54.840 -0.006 0.000 0.749 594 L CB -0.614 41.436 42.059 -0.014 0.000 0.893 594 L HN 0.235 nan 8.230 nan 0.000 0.432 595 Q N -0.280 119.521 119.800 0.002 0.000 2.152 595 Q HA -0.220 4.146 4.340 0.043 0.000 0.206 595 Q C 2.224 178.223 176.000 -0.001 0.000 0.985 595 Q CA 1.668 57.472 55.803 0.001 0.000 0.863 595 Q CB -0.301 28.440 28.738 0.005 0.000 0.904 595 Q HN 0.568 nan 8.270 nan 0.000 0.422 596 A N 0.814 123.635 122.820 0.001 0.000 2.167 596 A HA -0.050 4.296 4.320 0.043 0.000 0.214 596 A C 1.523 179.104 177.584 -0.004 0.000 1.151 596 A CA 0.468 52.505 52.037 -0.000 0.000 0.735 596 A CB 0.022 19.024 19.000 0.003 0.000 0.802 596 A HN 0.149 nan 8.150 nan 0.000 0.467 597 R N -0.863 119.630 120.500 -0.012 0.000 2.466 597 R HA 0.242 4.608 4.340 0.043 0.000 0.279 597 R C -0.138 176.144 176.300 -0.030 0.000 0.976 597 R CA -0.228 55.855 56.100 -0.028 0.000 1.081 597 R CB 0.054 30.319 30.300 -0.057 0.000 1.215 597 R HN 0.419 nan 8.270 nan 0.000 0.546 598 R N -0.747 119.744 120.500 -0.015 0.000 3.651 598 R HA -0.137 4.229 4.340 0.043 0.000 0.292 598 R C 0.250 176.543 176.300 -0.013 0.000 1.161 598 R CA 0.554 56.651 56.100 -0.006 0.000 0.787 598 R CB -2.062 28.240 30.300 0.004 0.000 1.249 598 R HN 0.389 nan 8.270 nan 0.000 0.476 599 G N 0.956 109.741 108.800 -0.024 0.000 2.503 599 G HA2 0.342 4.328 3.960 0.043 0.000 0.257 599 G HA3 0.342 4.328 3.960 0.043 0.000 0.257 599 G C -0.217 174.679 174.900 -0.006 0.000 1.214 599 G CA -0.565 44.518 45.100 -0.029 0.000 0.839 599 G HN 0.261 nan 8.290 nan 0.000 0.559 600 R N 2.118 122.619 120.500 0.002 0.000 2.337 600 R HA 0.395 4.761 4.340 0.043 0.000 0.319 600 R C -0.458 175.854 176.300 0.021 0.000 0.954 600 R CA -0.757 55.351 56.100 0.015 0.000 0.840 600 R CB 0.611 30.924 30.300 0.022 0.000 1.164 600 R HN 0.399 nan 8.270 nan 0.000 0.472 601 I N 6.168 126.751 120.570 0.023 0.000 2.533 601 I HA -0.037 4.159 4.170 0.043 0.000 0.284 601 I C 1.028 177.170 176.117 0.043 0.000 1.109 601 I CA -0.023 61.298 61.300 0.035 0.000 1.412 601 I CB 0.969 38.988 38.000 0.030 0.000 1.396 601 I HN 0.732 nan 8.210 nan 0.000 0.543 602 L N 5.885 127.146 121.223 0.065 0.000 2.416 602 L HA 0.378 4.744 4.340 0.043 0.000 0.216 602 L C 1.003 177.912 176.870 0.064 0.000 1.098 602 L CA 0.132 55.005 54.840 0.055 0.000 0.840 602 L CB -0.135 41.957 42.059 0.054 0.000 0.981 602 L HN 0.882 nan 8.230 nan 0.000 0.462 603 G N -0.355 108.507 108.800 0.104 0.000 2.336 603 G HA2 0.372 4.357 3.960 0.043 0.000 0.300 603 G HA3 0.372 4.357 3.960 0.043 0.000 0.300 603 G C -1.599 173.389 174.900 0.147 0.000 1.375 603 G CA -0.790 44.374 45.100 0.107 0.000 0.885 603 G HN -0.151 nan 8.290 nan 0.000 0.599 604 M N 0.020 119.690 119.600 0.116 0.000 2.484 604 M HA 0.561 5.067 4.480 0.043 0.000 0.289 604 M C -0.815 175.535 176.300 0.082 0.000 1.206 604 M CA -0.699 54.649 55.300 0.080 0.000 0.892 604 M CB 3.050 35.672 32.600 0.037 0.000 1.712 604 M HN 0.566 nan 8.290 nan 0.000 0.462 605 E N 1.071 121.304 120.200 0.055 0.000 2.359 605 E HA 0.452 4.828 4.350 0.043 0.000 0.266 605 E C -1.581 175.033 176.600 0.024 0.000 0.920 605 E CA -0.881 55.552 56.400 0.055 0.000 0.788 605 E CB 3.225 32.980 29.700 0.091 0.000 1.279 605 E HN 0.557 nan 8.360 nan 0.000 0.438 606 Q N 1.319 121.133 119.800 0.024 0.000 2.337 606 Q HA 0.286 4.652 4.340 0.043 0.000 0.266 606 Q C -1.195 174.813 176.000 0.014 0.000 1.023 606 Q CA -0.366 55.446 55.803 0.015 0.000 0.829 606 Q CB 1.349 30.095 28.738 0.013 0.000 1.306 606 Q HN 0.475 nan 8.270 nan 0.000 0.449 607 E N 3.147 123.352 120.200 0.008 0.000 3.108 607 E HA 0.361 4.737 4.350 0.043 0.000 0.228 607 E C -0.228 176.374 176.600 0.003 0.000 1.176 607 E CA 0.060 56.464 56.400 0.007 0.000 0.881 607 E CB 1.064 30.769 29.700 0.007 0.000 1.354 607 E HN 1.024 nan 8.360 nan 0.000 0.400 608 G N 1.597 110.399 108.800 0.002 0.000 2.512 608 G HA2 -0.368 3.618 3.960 0.043 0.000 0.254 608 G HA3 -0.368 3.618 3.960 0.043 0.000 0.254 608 G C 0.790 175.690 174.900 -0.000 0.000 1.199 608 G CA -0.159 44.940 45.100 -0.001 0.000 0.941 608 G HN 0.541 nan 8.290 nan 0.000 0.569 609 A N -0.257 122.561 122.820 -0.002 0.000 2.235 609 A HA 0.601 4.947 4.320 0.043 0.000 0.208 609 A C 1.234 178.819 177.584 0.001 0.000 1.172 609 A CA 1.037 53.074 52.037 -0.001 0.000 0.786 609 A CB -0.299 18.700 19.000 -0.003 0.000 0.804 609 A HN 0.718 nan 8.150 nan 0.000 0.479 610 L N 0.334 121.557 121.223 0.001 0.000 2.375 610 L HA 0.498 4.864 4.340 0.043 0.000 0.268 610 L C 0.366 177.237 176.870 0.002 0.000 1.058 610 L CA -0.463 54.379 54.840 0.002 0.000 0.803 610 L CB 1.849 43.910 42.059 0.003 0.000 1.212 610 L HN 0.293 nan 8.230 nan 0.000 0.451 611 S N 0.314 116.014 115.700 0.000 0.000 2.541 611 S HA 0.654 5.150 4.470 0.043 0.000 0.280 611 S C -0.988 173.598 174.600 -0.023 0.000 1.112 611 S CA -0.818 57.379 58.200 -0.005 0.000 0.925 611 S CB 1.867 65.067 63.200 0.000 0.000 1.067 611 S HN 0.183 nan 8.310 nan 0.000 0.479 612 V N 2.757 122.641 119.914 -0.050 0.000 2.370 612 V HA 0.442 4.588 4.120 0.043 0.000 0.279 612 V C -0.342 175.626 176.094 -0.210 0.000 1.029 612 V CA -0.616 61.602 62.300 -0.136 0.000 0.870 612 V CB 1.192 32.911 31.823 -0.174 0.000 0.984 612 V HN 0.808 nan 8.190 nan 0.000 0.451 613 V N 5.458 125.260 119.914 -0.187 0.000 2.370 613 V HA 0.395 4.541 4.120 0.043 0.000 0.279 613 V C -0.137 175.837 176.094 -0.200 0.000 1.029 613 V CA -0.627 61.594 62.300 -0.132 0.000 0.870 613 V CB 0.977 32.784 31.823 -0.026 0.000 0.984 613 V HN 0.776 nan 8.190 nan 0.000 0.451 614 H N 3.678 122.768 119.070 0.033 0.000 2.488 614 H HA 0.818 5.400 4.556 0.043 0.000 0.322 614 H C 0.066 175.404 175.328 0.017 0.000 1.078 614 H CA -0.016 56.049 56.048 0.028 0.000 1.260 614 H CB 2.032 31.806 29.762 0.021 0.000 1.425 614 H HN 0.814 nan 8.280 nan 0.000 0.471 615 A N 2.899 125.793 122.820 0.123 0.000 2.593 615 A HA 0.520 4.866 4.320 0.043 0.000 0.290 615 A C -0.941 176.670 177.584 0.044 0.000 1.126 615 A CA -0.813 51.261 52.037 0.061 0.000 0.695 615 A CB 2.126 21.135 19.000 0.015 0.000 1.290 615 A HN 0.669 nan 8.150 nan 0.000 0.414 616 E N -0.358 119.857 120.200 0.025 0.000 2.222 616 E HA 0.568 4.944 4.350 0.043 0.000 0.267 616 E C -1.741 174.855 176.600 -0.007 0.000 0.884 616 E CA -0.659 55.752 56.400 0.019 0.000 0.764 616 E CB 2.415 32.140 29.700 0.042 0.000 1.169 616 E HN 0.606 nan 8.360 nan 0.000 0.413 617 V N 3.612 123.513 119.914 -0.021 0.000 3.048 617 V HA 0.418 4.564 4.120 0.043 0.000 0.303 617 V C -2.797 173.269 176.094 -0.046 0.000 1.214 617 V CA -2.423 59.847 62.300 -0.049 0.000 0.984 617 V CB 2.582 34.341 31.823 -0.108 0.000 1.054 617 V HN 0.452 nan 8.190 nan 0.000 0.430 618 P HA 0.164 nan 4.420 nan 0.000 0.267 618 P C 0.579 177.821 177.300 -0.097 0.000 1.205 618 P CA 0.017 63.083 63.100 -0.056 0.000 0.765 618 P CB 0.795 32.479 31.700 -0.027 0.000 0.828 619 L N 4.907 126.055 121.223 -0.125 0.000 2.129 619 L HA -0.219 4.147 4.340 0.043 0.000 0.212 619 L C 1.993 178.728 176.870 -0.225 0.000 1.087 619 L CA 2.252 56.907 54.840 -0.307 0.000 0.757 619 L CB -1.259 40.552 42.059 -0.413 0.000 0.896 619 L HN 0.404 nan 8.230 nan 0.000 0.434 620 A N -1.232 121.496 122.820 -0.153 0.000 2.125 620 A HA -0.112 4.234 4.320 0.043 0.000 0.219 620 A C 1.931 179.482 177.584 -0.056 0.000 1.156 620 A CA 1.482 53.465 52.037 -0.090 0.000 0.671 620 A CB -0.418 18.579 19.000 -0.004 0.000 0.794 620 A HN 0.566 nan 8.150 nan 0.000 0.459 621 E N -0.816 119.341 120.200 -0.073 0.000 2.481 621 E HA 0.084 4.460 4.350 0.043 0.000 0.198 621 E C 0.878 177.430 176.600 -0.081 0.000 1.027 621 E CA 0.941 57.306 56.400 -0.059 0.000 0.900 621 E CB 0.615 30.281 29.700 -0.056 0.000 0.993 621 E HN 0.605 nan 8.360 nan 0.000 0.482 622 V N -2.275 117.569 119.914 -0.117 0.000 3.111 622 V HA 0.254 4.400 4.120 0.043 0.000 0.343 622 V C 1.378 177.434 176.094 -0.064 0.000 1.417 622 V CA -0.145 62.087 62.300 -0.112 0.000 1.142 622 V CB -0.624 31.052 31.823 -0.246 0.000 1.114 622 V HN -0.006 nan 8.190 nan 0.000 0.520 623 L N 0.203 121.387 121.223 -0.065 0.000 2.275 623 L HA 0.149 4.515 4.340 0.043 0.000 0.215 623 L C 1.883 178.806 176.870 0.088 0.000 1.119 623 L CA 1.585 56.403 54.840 -0.037 0.000 0.790 623 L CB 0.032 42.052 42.059 -0.065 0.000 0.919 623 L HN 0.482 nan 8.230 nan 0.000 0.443 624 E N -2.034 118.193 120.200 0.045 0.000 2.789 624 E HA -0.016 4.360 4.350 0.043 0.000 0.208 624 E C 0.702 177.217 176.600 -0.142 0.000 0.988 624 E CA -0.137 56.229 56.400 -0.056 0.000 1.092 624 E CB 0.418 30.020 29.700 -0.163 0.000 1.066 624 E HN 0.353 nan 8.360 nan 0.000 0.465 625 Y N 0.671 120.868 120.300 -0.170 0.000 2.256 625 Y HA -0.354 4.221 4.550 0.043 0.000 0.288 625 Y C 2.249 177.953 175.900 -0.326 0.000 1.155 625 Y CA 1.835 59.765 58.100 -0.283 0.000 1.203 625 Y CB 0.032 38.261 38.460 -0.386 0.000 0.980 625 Y HN 0.321 nan 8.280 nan 0.000 0.530 626 Y N -0.615 119.511 120.300 -0.290 0.000 2.315 626 Y HA -0.148 4.428 4.550 0.043 0.000 0.288 626 Y C 1.749 177.571 175.900 -0.131 0.000 1.154 626 Y CA 1.238 59.246 58.100 -0.153 0.000 1.229 626 Y CB -0.894 37.627 38.460 0.102 0.000 0.980 626 Y HN -0.063 nan 8.280 nan 0.000 0.540 627 K N 0.292 120.239 120.400 -0.755 0.000 2.243 627 K HA 0.202 4.548 4.320 0.043 0.000 0.201 627 K C 2.268 178.665 176.600 -0.338 0.000 1.051 627 K CA 0.748 56.697 56.287 -0.564 0.000 0.970 627 K CB -0.058 32.067 32.500 -0.625 0.000 0.755 627 K HN 0.437 nan 8.250 nan 0.000 0.465 628 A N 0.914 123.516 122.820 -0.364 0.000 2.044 628 A HA -0.007 4.338 4.320 0.043 0.000 0.213 628 A C 1.922 179.296 177.584 -0.349 0.000 1.169 628 A CA 0.263 52.118 52.037 -0.303 0.000 0.724 628 A CB -0.196 18.653 19.000 -0.252 0.000 0.840 628 A HN 0.149 nan 8.150 nan 0.000 0.463 629 L N 0.751 121.663 121.223 -0.519 0.000 2.013 629 L HA -0.088 4.278 4.340 0.043 0.000 0.212 629 L C -0.770 175.983 176.870 -0.195 0.000 1.073 629 L CA 2.454 57.023 54.840 -0.452 0.000 0.753 629 L CB -1.168 40.623 42.059 -0.446 0.000 0.890 629 L HN 0.149 nan 8.230 nan 0.000 0.432 630 P HA -0.141 nan 4.420 nan 0.000 0.214 630 P C 1.617 178.880 177.300 -0.061 0.000 1.163 630 P CA 1.978 65.040 63.100 -0.064 0.000 0.889 630 P CB -0.437 31.233 31.700 -0.049 0.000 0.790 631 G N -0.612 108.140 108.800 -0.079 0.000 2.450 631 G HA2 -0.221 3.765 3.960 0.043 0.000 0.220 631 G HA3 -0.221 3.765 3.960 0.043 0.000 0.220 631 G C 1.417 176.284 174.900 -0.054 0.000 1.130 631 G CA 0.558 45.622 45.100 -0.061 0.000 0.760 631 G HN 0.234 nan 8.290 nan 0.000 0.557 632 L N 0.676 121.854 121.223 -0.075 0.000 2.313 632 L HA 0.089 4.455 4.340 0.043 0.000 0.214 632 L C 2.366 179.218 176.870 -0.031 0.000 1.119 632 L CA 1.433 56.241 54.840 -0.053 0.000 0.809 632 L CB 0.103 42.119 42.059 -0.071 0.000 0.933 632 L HN 0.377 nan 8.230 nan 0.000 0.449 633 T N -4.607 109.928 114.554 -0.032 0.000 3.252 633 T HA 0.314 4.689 4.350 0.043 0.000 0.286 633 T C 1.196 175.893 174.700 -0.004 0.000 1.013 633 T CA 0.192 62.286 62.100 -0.010 0.000 0.914 633 T CB 0.648 69.515 68.868 -0.001 0.000 1.131 633 T HN 0.290 nan 8.240 nan 0.000 0.529 634 G N 0.987 109.782 108.800 -0.008 0.000 2.258 634 G HA2 0.057 4.043 3.960 0.043 0.000 0.274 634 G HA3 0.057 4.043 3.960 0.043 0.000 0.274 634 G C 1.206 176.111 174.900 0.009 0.000 1.021 634 G CA 0.479 45.579 45.100 -0.000 0.000 0.798 634 G HN 1.897 nan 8.290 nan 0.000 0.507 635 G N -2.095 106.710 108.800 0.008 0.000 2.159 635 G HA2 0.079 4.065 3.960 0.043 0.000 0.256 635 G HA3 0.079 4.065 3.960 0.043 0.000 0.256 635 G C 1.205 176.128 174.900 0.039 0.000 0.977 635 G CA 1.296 46.411 45.100 0.026 0.000 0.652 635 G HN 2.108 nan 8.290 nan 0.000 0.531 636 A N -0.111 122.726 122.820 0.028 0.000 2.220 636 A HA 0.668 5.014 4.320 0.043 0.000 0.211 636 A C 1.659 179.264 177.584 0.036 0.000 1.176 636 A CA 1.527 53.583 52.037 0.031 0.000 0.834 636 A CB 0.002 19.013 19.000 0.018 0.000 0.868 636 A HN 1.710 nan 8.150 nan 0.000 0.488 637 G N -0.889 107.932 108.800 0.036 0.000 2.572 637 G HA2 0.557 4.543 3.960 0.043 0.000 0.261 637 G HA3 0.557 4.543 3.960 0.043 0.000 0.261 637 G C -0.222 174.729 174.900 0.084 0.000 1.197 637 G CA 0.391 45.523 45.100 0.053 0.000 0.870 637 G HN 0.951 nan 8.290 nan 0.000 0.548 638 A N 0.034 122.921 122.820 0.111 0.000 2.566 638 A HA 0.899 5.245 4.320 0.043 0.000 0.292 638 A C -1.243 176.469 177.584 0.212 0.000 1.112 638 A CA -0.700 51.409 52.037 0.121 0.000 0.707 638 A CB 1.624 20.653 19.000 0.047 0.000 1.302 638 A HN 1.878 nan 8.150 nan 0.000 0.409 639 Y N -1.449 118.908 120.300 0.096 0.000 2.656 639 Y HA 0.795 5.371 4.550 0.043 0.000 0.334 639 Y C -0.650 175.327 175.900 0.127 0.000 1.179 639 Y CA -0.332 57.851 58.100 0.139 0.000 1.050 639 Y CB 1.186 39.802 38.460 0.260 0.000 1.308 639 Y HN 1.181 nan 8.280 nan 0.000 0.456 640 T N 1.140 115.762 114.554 0.113 0.000 2.952 640 T HA 0.741 5.117 4.350 0.043 0.000 0.305 640 T C -1.618 173.251 174.700 0.282 0.000 1.064 640 T CA -0.694 61.431 62.100 0.042 0.000 1.008 640 T CB 1.510 70.399 68.868 0.034 0.000 1.078 640 T HN 0.888 nan 8.240 nan 0.000 0.459 641 L N 2.032 123.440 121.223 0.307 0.000 2.362 641 L HA 0.688 5.054 4.340 0.043 0.000 0.275 641 L C -0.310 176.775 176.870 0.359 0.000 0.998 641 L CA -0.658 54.396 54.840 0.356 0.000 0.820 641 L CB 2.027 44.310 42.059 0.374 0.000 1.270 641 L HN 0.785 nan 8.230 nan 0.000 0.415 642 E N 2.352 122.756 120.200 0.340 0.000 2.308 642 E HA 0.249 4.625 4.350 0.043 0.000 0.275 642 E C -1.384 175.097 176.600 -0.199 0.000 0.890 642 E CA -0.844 55.656 56.400 0.167 0.000 0.754 642 E CB 3.049 32.794 29.700 0.075 0.000 1.207 642 E HN 0.293 nan 8.360 nan 0.000 0.426 643 F N 2.065 121.579 119.950 -0.726 0.000 2.607 643 F HA -0.007 4.546 4.527 0.044 0.000 0.374 643 F C 1.027 176.516 175.800 -0.518 0.000 1.104 643 F CA 0.989 58.267 58.000 -1.204 0.000 1.296 643 F CB 1.112 39.662 39.000 -0.750 0.000 1.085 643 F HN 0.405 nan 8.300 nan 0.000 0.584 644 S N 3.783 118.668 115.700 -1.358 0.000 2.877 644 S HA 0.228 4.724 4.470 0.043 0.000 0.230 644 S C -0.353 173.700 174.600 -0.912 0.000 0.999 644 S CA 0.590 58.325 58.200 -0.774 0.000 0.866 644 S CB -0.202 62.808 63.200 -0.317 0.000 0.819 644 S HN 0.908 nan 8.310 nan 0.000 0.607 645 H N -1.951 116.399 119.070 -1.200 0.000 2.904 645 H HA 0.335 4.917 4.556 0.043 0.000 0.290 645 H C -2.081 173.049 175.328 -0.331 0.000 1.437 645 H CA -0.728 54.959 56.048 -0.601 0.000 1.147 645 H CB -0.175 29.455 29.762 -0.220 0.000 1.824 645 H HN 0.279 nan 8.280 nan 0.000 0.505 646 Y N 0.241 120.549 120.300 0.014 0.000 2.352 646 Y HA 0.654 5.230 4.550 0.043 0.000 0.326 646 Y C 0.426 176.383 175.900 0.096 0.000 1.166 646 Y CA 0.535 58.666 58.100 0.051 0.000 1.182 646 Y CB 1.902 40.466 38.460 0.173 0.000 1.216 646 Y HN 0.904 nan 8.280 nan 0.000 0.474 647 A N 2.188 125.109 122.820 0.170 0.000 2.556 647 A HA 0.538 4.884 4.320 0.043 0.000 0.294 647 A C -1.154 176.537 177.584 0.178 0.000 1.091 647 A CA -1.064 51.088 52.037 0.191 0.000 0.704 647 A CB 1.001 20.085 19.000 0.140 0.000 1.300 647 A HN 0.752 nan 8.150 nan 0.000 0.406 648 E N 0.520 120.816 120.200 0.160 0.000 2.414 648 E HA 0.288 4.664 4.350 0.043 0.000 0.263 648 E C -0.532 176.137 176.600 0.115 0.000 1.000 648 E CA -0.197 56.285 56.400 0.138 0.000 0.914 648 E CB 0.815 30.585 29.700 0.117 0.000 0.948 648 E HN 0.338 nan 8.360 nan 0.000 0.444 649 V N 5.412 125.391 119.914 0.109 0.000 2.555 649 V HA 0.075 4.221 4.120 0.043 0.000 0.286 649 V C -1.938 174.196 176.094 0.066 0.000 1.044 649 V CA -1.582 60.772 62.300 0.090 0.000 1.026 649 V CB 0.511 32.374 31.823 0.066 0.000 0.981 649 V HN 0.607 nan 8.190 nan 0.000 0.480 650 P HA 0.036 nan 4.420 nan 0.000 0.263 650 P C -1.942 175.374 177.300 0.026 0.000 1.175 650 P CA -0.653 62.490 63.100 0.072 0.000 0.761 650 P CB 0.023 31.796 31.700 0.122 0.000 0.794 651 P HA -0.269 nan 4.420 nan 0.000 0.218 651 P C 1.257 178.457 177.300 -0.168 0.000 1.154 651 P CA 1.736 64.745 63.100 -0.152 0.000 0.872 651 P CB -0.254 31.287 31.700 -0.265 0.000 0.790 652 H N -1.015 118.065 119.070 0.017 0.000 2.270 652 H HA -0.064 4.518 4.556 0.043 0.000 0.299 652 H C 2.143 177.474 175.328 0.006 0.000 1.077 652 H CA 1.251 57.306 56.048 0.012 0.000 1.294 652 H CB -1.126 28.645 29.762 0.013 0.000 1.371 652 H HN 0.138 nan 8.280 nan 0.000 0.491 653 L N 0.440 121.747 121.223 0.139 0.000 1.994 653 L HA -0.157 4.209 4.340 0.043 0.000 0.208 653 L C 3.077 179.952 176.870 0.009 0.000 1.071 653 L CA 0.980 55.859 54.840 0.065 0.000 0.745 653 L CB -0.786 41.310 42.059 0.062 0.000 0.892 653 L HN 0.211 nan 8.230 nan 0.000 0.431 654 A N -0.064 122.754 122.820 -0.004 0.000 1.896 654 A HA -0.332 4.014 4.320 0.043 0.000 0.220 654 A C 2.240 179.804 177.584 -0.032 0.000 1.206 654 A CA 2.260 54.275 52.037 -0.037 0.000 0.647 654 A CB -0.776 18.213 19.000 -0.018 0.000 0.828 654 A HN 0.539 nan 8.150 nan 0.000 0.455 655 Q N -1.146 118.644 119.800 -0.017 0.000 2.045 655 Q HA -0.227 4.139 4.340 0.043 0.000 0.206 655 Q C 2.454 178.451 176.000 -0.005 0.000 0.991 655 Q CA 1.795 57.590 55.803 -0.012 0.000 0.851 655 Q CB -0.251 28.482 28.738 -0.007 0.000 0.911 655 Q HN 0.644 nan 8.270 nan 0.000 0.418 656 R N 0.207 120.710 120.500 0.005 0.000 2.081 656 R HA -0.113 4.253 4.340 0.043 0.000 0.235 656 R C 2.309 178.605 176.300 -0.006 0.000 1.131 656 R CA 1.227 57.331 56.100 0.007 0.000 0.960 656 R CB -0.282 30.030 30.300 0.019 0.000 0.856 656 R HN 0.291 nan 8.270 nan 0.000 0.436 657 I N 0.078 120.627 120.570 -0.035 0.000 2.179 657 I HA -0.261 3.935 4.170 0.043 0.000 0.242 657 I C 2.231 178.340 176.117 -0.013 0.000 1.088 657 I CA 1.099 62.362 61.300 -0.062 0.000 1.357 657 I CB -0.227 37.633 38.000 -0.233 0.000 1.051 657 I HN -0.014 nan 8.210 nan 0.000 0.409 658 V N 0.527 120.434 119.914 -0.013 0.000 2.332 658 V HA -0.320 3.826 4.120 0.043 0.000 0.248 658 V C 2.425 178.515 176.094 -0.006 0.000 1.055 658 V CA 1.873 64.176 62.300 0.004 0.000 1.038 658 V CB -0.811 31.010 31.823 -0.003 0.000 0.651 658 V HN 0.486 nan 8.190 nan 0.000 0.450 659 Q N -0.328 119.468 119.800 -0.006 0.000 2.050 659 Q HA -0.232 4.133 4.340 0.043 0.000 0.202 659 Q C 2.319 178.317 176.000 -0.003 0.000 0.980 659 Q CA 1.843 57.643 55.803 -0.005 0.000 0.840 659 Q CB -0.243 28.495 28.738 -0.001 0.000 0.898 659 Q HN 0.712 nan 8.270 nan 0.000 0.424 660 E N 0.647 120.850 120.200 0.004 0.000 2.049 660 E HA -0.214 4.162 4.350 0.043 0.000 0.198 660 E C 2.127 178.728 176.600 0.003 0.000 1.007 660 E CA 0.916 57.323 56.400 0.012 0.000 0.809 660 E CB -0.166 29.551 29.700 0.029 0.000 0.749 660 E HN 0.251 nan 8.360 nan 0.000 0.450 661 R N 0.265 120.763 120.500 -0.004 0.000 2.091 661 R HA -0.140 4.226 4.340 0.043 0.000 0.238 661 R C 2.352 178.620 176.300 -0.053 0.000 1.136 661 R CA 1.175 57.247 56.100 -0.046 0.000 0.959 661 R CB -0.396 29.838 30.300 -0.110 0.000 0.856 661 R HN 0.154 nan 8.270 nan 0.000 0.437 662 A N 1.216 124.012 122.820 -0.040 0.000 1.855 662 A HA -0.203 4.142 4.320 0.043 0.000 0.215 662 A C 2.101 179.670 177.584 -0.025 0.000 1.191 662 A CA 1.146 53.162 52.037 -0.036 0.000 0.613 662 A CB -0.527 18.456 19.000 -0.028 0.000 0.829 662 A HN 0.324 nan 8.150 nan 0.000 0.442 663 Q N -0.299 119.491 119.800 -0.016 0.000 2.133 663 Q HA -0.223 4.143 4.340 0.043 0.000 0.208 663 Q C 1.431 177.424 176.000 -0.011 0.000 0.991 663 Q CA 1.945 57.742 55.803 -0.011 0.000 0.867 663 Q CB -0.121 28.614 28.738 -0.005 0.000 0.911 663 Q HN 0.810 nan 8.270 nan 0.000 0.417 664 E N -1.333 118.860 120.200 -0.013 0.000 3.700 664 E HA 0.390 4.766 4.350 0.043 0.000 0.357 664 E C 0.528 177.117 176.600 -0.019 0.000 0.577 664 E CA -0.104 56.289 56.400 -0.011 0.000 1.888 664 E CB 0.072 29.769 29.700 -0.004 0.000 2.230 664 E HN 0.241 nan 8.360 nan 0.000 0.479 665 G N 0.000 108.788 108.800 -0.021 0.000 5.446 665 G HA2 0.000 3.986 3.960 0.043 0.000 0.244 665 G HA3 0.000 3.986 3.960 0.043 0.000 0.244 665 G CA 0.000 45.082 45.100 -0.029 0.000 0.502 665 G HN 0.000 nan 8.290 nan 0.000 0.925