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 2x03_1_B DATA FIRST_RESID 23 DATA SEQUENCE TADPYDALRR RWLGITLGTG YDPAAEPYAS RLAETGERAR EHRATMAPTP DATA SEQUENCE TSLWPGHPFD PPAGITFAYG RLWTMTEAYV QEGTGATGDP ALLADILRGL DATA SEQUENCE DHLSATVYHP ATTRYGNWWE WQIGSPRLLM DITAALYDHL GADRVAAACA DATA SEQUENCE AVDHFVPDAM LGAYTGTSTG ANRVDLCRSV ALRGVLGRAP AKIALARDAL DATA SEQUENCE SPVFPYVTKG DGLYADGSFV QHTWVAYSGT AGQVMLDGLG RLFTLLAGSE DATA SEQUENCE WEVTDPGRQL VLDSVEHAYA PLIHDGLVMD TVNGRAISRG YLKSDDLHVM DATA SEQUENCE RSDHFHGQQL IAAMAVLAGG ASNAERERWH ARIKGWIERD TVTPVLTAPQ DATA SEQUENCE FPVADLTRLH AIADAPGEAA PEPVGHHLFA AMDRAVHRRP AFTAGLAMAS DATA SEQUENCE DRIAHYECGN GENPRGWHTG AGMLTWWANG TRADQYTDWF WPTVDWYRLP DATA SEQUENCE GTTVSTKRLA DRAGGEWGAP KPDVRWVGGA TDGEYAAVGQ HLKGLGSTLE DATA SEQUENCE ARKSWFFLDD AVVCLGAGIT CADGVPVETV VDNRNLGEGG TQALVRGRHW DATA SEQUENCE AHLEGHGGWI VPGGALRTLR EDRTGAWSDI NTTSTTERRT RRWQTLWLDH DATA SEQUENCE GTDPAGADYV YTVMPGASRA ALARRAADRH WLTVLANDDR RQAVSVPSLG DATA SEQUENCE LTAANFWQAG TAGPLTTTAG ASVLVRRRGR TATLRVSEPP RTGEALEIVW DATA SEQUENCE DHPVGAVLRA DETVEILATG RRLHLRVTPG VVCTTHECEV TLS 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 23 T HA 0.000 nan 4.350 nan 0.000 0.228 23 T C 0.000 174.711 174.700 0.019 0.000 1.109 23 T CA 0.000 62.114 62.100 0.024 0.000 1.349 23 T CB 0.000 68.878 68.868 0.016 0.000 0.612 24 A N 0.741 123.574 122.820 0.021 0.000 2.016 24 A HA 0.258 4.578 4.320 0.000 0.000 0.217 24 A C 0.766 178.364 177.584 0.024 0.000 1.162 24 A CA 0.859 52.905 52.037 0.015 0.000 0.662 24 A CB -0.372 18.637 19.000 0.014 0.000 0.812 24 A HN 0.490 nan 8.150 nan 0.000 0.450 25 D N -0.084 120.345 120.400 0.048 0.000 2.401 25 D HA 0.238 4.878 4.640 0.000 0.000 0.254 25 D C -1.485 174.853 176.300 0.064 0.000 1.192 25 D CA -1.496 52.555 54.000 0.085 0.000 0.885 25 D CB 1.124 41.995 40.800 0.118 0.000 1.147 25 D HN 0.071 nan 8.370 nan 0.000 0.478 26 P HA -0.147 nan 4.420 nan 0.000 0.217 26 P C 0.579 177.827 177.300 -0.087 0.000 1.150 26 P CA 1.179 64.234 63.100 -0.075 0.000 0.832 26 P CB 0.022 31.611 31.700 -0.184 0.000 0.787 27 Y N -0.002 120.376 120.300 0.130 0.000 2.263 27 Y HA -0.102 4.448 4.550 0.000 0.000 0.292 27 Y C 2.211 178.100 175.900 -0.018 0.000 1.130 27 Y CA 1.234 59.359 58.100 0.042 0.000 1.179 27 Y CB -1.194 37.278 38.460 0.020 0.000 0.998 27 Y HN -0.063 nan 8.280 nan 0.000 0.532 28 D N -0.299 120.188 120.400 0.145 0.000 2.183 28 D HA -0.089 4.551 4.640 0.000 0.000 0.203 28 D C 2.195 178.515 176.300 0.033 0.000 0.969 28 D CA 1.214 55.239 54.000 0.041 0.000 0.842 28 D CB -0.257 40.576 40.800 0.055 0.000 0.957 28 D HN 0.335 nan 8.370 nan 0.000 0.484 29 A N 0.453 123.302 122.820 0.049 0.000 1.897 29 A HA -0.046 4.274 4.320 0.000 0.000 0.215 29 A C 2.354 179.973 177.584 0.059 0.000 1.181 29 A CA 0.596 52.659 52.037 0.044 0.000 0.620 29 A CB -0.632 18.389 19.000 0.036 0.000 0.821 29 A HN 0.168 nan 8.150 nan 0.000 0.443 30 L N -0.982 120.278 121.223 0.061 0.000 2.017 30 L HA -0.187 4.153 4.340 0.000 0.000 0.208 30 L C 2.783 179.714 176.870 0.102 0.000 1.073 30 L CA 1.803 56.691 54.840 0.079 0.000 0.745 30 L CB -0.468 41.616 42.059 0.041 0.000 0.894 30 L HN 0.432 nan 8.230 nan 0.000 0.432 31 R N 0.234 120.764 120.500 0.050 0.000 2.091 31 R HA -0.172 4.168 4.340 0.000 0.000 0.238 31 R C 2.442 178.806 176.300 0.108 0.000 1.136 31 R CA 1.552 57.678 56.100 0.043 0.000 0.959 31 R CB -0.035 30.190 30.300 -0.124 0.000 0.856 31 R HN 0.313 nan 8.270 nan 0.000 0.437 32 R N -0.646 119.898 120.500 0.073 0.000 2.119 32 R HA -0.014 4.326 4.340 0.000 0.000 0.222 32 R C 2.404 178.764 176.300 0.101 0.000 1.088 32 R CA 0.697 56.844 56.100 0.078 0.000 0.984 32 R CB -0.234 30.095 30.300 0.049 0.000 0.884 32 R HN 0.197 nan 8.270 nan 0.000 0.447 33 R N 0.571 121.141 120.500 0.117 0.000 2.083 33 R HA -0.200 4.140 4.340 0.000 0.000 0.237 33 R C 2.003 178.410 176.300 0.179 0.000 1.137 33 R CA 1.695 57.874 56.100 0.132 0.000 0.951 33 R CB -0.272 30.113 30.300 0.141 0.000 0.851 33 R HN 0.418 nan 8.270 nan 0.000 0.434 34 W N 1.102 122.418 121.300 0.026 0.000 2.358 34 W HA -0.202 4.458 4.660 0.000 0.000 0.303 34 W C 1.464 178.013 176.519 0.050 0.000 1.208 34 W CA 1.075 58.436 57.345 0.027 0.000 1.274 34 W CB -0.151 29.312 29.460 0.006 0.000 1.138 34 W HN 0.168 nan 8.180 nan 0.000 0.515 35 L N 0.403 121.687 121.223 0.103 0.000 2.141 35 L HA -0.111 4.229 4.340 0.000 0.000 0.209 35 L C 2.771 179.628 176.870 -0.021 0.000 1.094 35 L CA 1.392 56.253 54.840 0.034 0.000 0.763 35 L CB -1.442 40.687 42.059 0.117 0.000 0.908 35 L HN 0.019 nan 8.230 nan 0.000 0.437 36 G N 0.127 108.926 108.800 -0.002 0.000 2.432 36 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 36 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 36 G C 1.593 176.458 174.900 -0.059 0.000 1.135 36 G CA 0.482 45.580 45.100 -0.003 0.000 0.767 36 G HN 0.282 nan 8.290 nan 0.000 0.550 37 I N 0.501 120.979 120.570 -0.154 0.000 2.406 37 I HA -0.074 4.096 4.170 0.000 0.000 0.249 37 I C 2.797 178.734 176.117 -0.300 0.000 1.122 37 I CA 1.156 62.321 61.300 -0.226 0.000 1.431 37 I CB 0.011 37.819 38.000 -0.320 0.000 1.087 37 I HN 0.081 nan 8.210 nan 0.000 0.424 38 T N 0.470 114.785 114.554 -0.398 0.000 2.939 38 T HA 0.100 4.450 4.350 0.000 0.000 0.254 38 T C 1.714 176.388 174.700 -0.042 0.000 1.041 38 T CA 0.960 62.868 62.100 -0.319 0.000 1.142 38 T CB 0.094 68.703 68.868 -0.431 0.000 0.874 38 T HN 0.188 nan 8.240 nan 0.000 0.452 39 L N -0.082 121.143 121.223 0.003 0.000 2.609 39 L HA 0.409 4.749 4.340 0.000 0.000 0.230 39 L C 1.173 178.089 176.870 0.076 0.000 1.087 39 L CA -0.185 54.700 54.840 0.075 0.000 0.874 39 L CB -0.058 42.068 42.059 0.112 0.000 1.114 39 L HN 0.428 nan 8.230 nan 0.000 0.488 40 G N 0.383 109.211 108.800 0.047 0.000 2.733 40 G HA2 -0.176 3.784 3.960 0.000 0.000 0.686 40 G HA3 -0.176 3.784 3.960 0.000 0.000 0.686 40 G C -0.478 174.534 174.900 0.186 0.000 1.373 40 G CA -0.371 44.782 45.100 0.088 0.000 0.838 40 G HN -0.036 nan 8.290 nan 0.000 0.588 41 T N -0.057 114.600 114.554 0.171 0.000 2.921 41 T HA 0.723 5.073 4.350 0.000 0.000 0.297 41 T C 0.894 175.638 174.700 0.073 0.000 1.013 41 T CA 1.530 63.688 62.100 0.096 0.000 0.990 41 T CB 0.881 69.775 68.868 0.044 0.000 1.023 41 T HN 2.638 nan 8.240 nan 0.000 0.447 42 G N 3.490 112.255 108.800 -0.060 0.000 2.272 42 G HA2 -0.212 3.748 3.960 0.000 0.000 0.280 42 G HA3 -0.212 3.748 3.960 0.000 0.000 0.280 42 G C -0.302 174.528 174.900 -0.117 0.000 1.067 42 G CA 0.826 45.860 45.100 -0.110 0.000 0.902 42 G HN 1.014 nan 8.290 nan 0.000 0.500 43 Y N -1.587 118.562 120.300 -0.252 0.000 2.496 43 Y HA 0.748 5.298 4.550 0.000 0.000 0.331 43 Y C 0.021 175.678 175.900 -0.404 0.000 1.140 43 Y CA -2.169 55.656 58.100 -0.459 0.000 1.166 43 Y CB 1.355 39.239 38.460 -0.959 0.000 1.249 43 Y HN 0.059 nan 8.280 nan 0.000 0.479 44 D N 3.331 123.559 120.400 -0.286 0.000 2.352 44 D HA 0.247 4.887 4.640 0.000 0.000 0.245 44 D C -1.906 174.337 176.300 -0.094 0.000 1.224 44 D CA -2.701 51.184 54.000 -0.192 0.000 0.879 44 D CB 1.290 42.044 40.800 -0.077 0.000 1.057 44 D HN 0.367 nan 8.370 nan 0.000 0.491 45 P HA -0.055 nan 4.420 nan 0.000 0.223 45 P C 0.705 178.065 177.300 0.100 0.000 1.144 45 P CA 0.709 63.856 63.100 0.078 0.000 0.783 45 P CB 0.235 31.927 31.700 -0.014 0.000 0.771 46 A N -1.020 121.828 122.820 0.047 0.000 2.178 46 A HA 0.431 4.751 4.320 0.000 0.000 0.211 46 A C 1.294 178.922 177.584 0.074 0.000 1.157 46 A CA 0.309 52.375 52.037 0.049 0.000 0.780 46 A CB -0.666 18.344 19.000 0.016 0.000 0.828 46 A HN 0.236 nan 8.150 nan 0.000 0.476 47 A N 0.532 123.419 122.820 0.112 0.000 2.340 47 A HA 0.524 4.844 4.320 0.000 0.000 0.268 47 A C -0.014 177.674 177.584 0.173 0.000 1.100 47 A CA -0.483 51.635 52.037 0.135 0.000 0.803 47 A CB 0.275 19.362 19.000 0.145 0.000 1.043 47 A HN 0.331 nan 8.150 nan 0.000 0.488 48 E N 2.024 122.273 120.200 0.081 0.000 2.343 48 E HA 0.223 4.573 4.350 0.000 0.000 0.269 48 E C -1.691 174.851 176.600 -0.098 0.000 1.047 48 E CA -1.381 55.026 56.400 0.012 0.000 0.874 48 E CB 0.725 30.429 29.700 0.007 0.000 1.033 48 E HN 0.506 nan 8.360 nan 0.000 0.409 49 P HA 0.045 nan 4.420 nan 0.000 0.262 49 P C 0.510 177.690 177.300 -0.200 0.000 1.304 49 P CA 0.257 63.251 63.100 -0.177 0.000 0.859 49 P CB 0.114 31.723 31.700 -0.153 0.000 1.310 50 Y N 1.680 121.952 120.300 -0.048 0.000 2.114 50 Y HA -0.204 4.346 4.550 0.000 0.000 0.282 50 Y C 2.870 178.769 175.900 -0.003 0.000 1.165 50 Y CA 1.668 59.734 58.100 -0.057 0.000 1.148 50 Y CB -1.725 36.723 38.460 -0.020 0.000 0.972 50 Y HN 0.013 nan 8.280 nan 0.000 0.504 51 A N -0.203 122.720 122.820 0.172 0.000 1.883 51 A HA -0.234 4.086 4.320 0.000 0.000 0.217 51 A C 2.424 180.043 177.584 0.057 0.000 1.186 51 A CA 2.323 54.422 52.037 0.104 0.000 0.624 51 A CB -1.138 17.910 19.000 0.080 0.000 0.822 51 A HN 0.450 nan 8.150 nan 0.000 0.444 52 S N -0.609 115.112 115.700 0.035 0.000 2.368 52 S HA -0.155 4.315 4.470 0.000 0.000 0.225 52 S C 2.080 176.690 174.600 0.017 0.000 1.030 52 S CA 1.544 59.755 58.200 0.019 0.000 0.999 52 S CB -0.329 62.876 63.200 0.009 0.000 0.844 52 S HN 0.531 nan 8.310 nan 0.000 0.459 53 R N 1.261 121.770 120.500 0.015 0.000 2.081 53 R HA 0.083 4.423 4.340 0.000 0.000 0.235 53 R C 2.119 178.431 176.300 0.019 0.000 1.131 53 R CA 1.128 57.236 56.100 0.014 0.000 0.960 53 R CB -0.858 29.444 30.300 0.003 0.000 0.856 53 R HN 0.403 nan 8.270 nan 0.000 0.436 54 L N -0.683 120.564 121.223 0.040 0.000 2.056 54 L HA -0.095 4.245 4.340 0.000 0.000 0.207 54 L C 2.454 179.333 176.870 0.014 0.000 1.078 54 L CA 1.370 56.232 54.840 0.036 0.000 0.749 54 L CB -0.656 41.447 42.059 0.073 0.000 0.901 54 L HN 0.223 nan 8.230 nan 0.000 0.433 55 A N 0.292 123.122 122.820 0.017 0.000 1.865 55 A HA -0.260 4.060 4.320 0.000 0.000 0.217 55 A C 2.196 179.776 177.584 -0.007 0.000 1.191 55 A CA 2.011 54.052 52.037 0.006 0.000 0.623 55 A CB -0.572 18.433 19.000 0.010 0.000 0.826 55 A HN 0.459 nan 8.150 nan 0.000 0.444 56 E N -0.927 119.270 120.200 -0.006 0.000 2.058 56 E HA -0.151 4.199 4.350 0.000 0.000 0.194 56 E C 2.143 178.723 176.600 -0.035 0.000 0.997 56 E CA 1.766 58.156 56.400 -0.016 0.000 0.801 56 E CB -0.409 29.288 29.700 -0.005 0.000 0.746 56 E HN 0.612 nan 8.360 nan 0.000 0.450 57 T N 0.155 114.689 114.554 -0.032 0.000 2.684 57 T HA -0.178 4.172 4.350 0.000 0.000 0.267 57 T C 1.912 176.576 174.700 -0.061 0.000 1.036 57 T CA 1.330 63.398 62.100 -0.053 0.000 1.148 57 T CB -0.730 68.105 68.868 -0.055 0.000 0.863 57 T HN 0.419 nan 8.240 nan 0.000 0.436 58 G N 0.775 109.551 108.800 -0.041 0.000 2.446 58 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 58 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 58 G C 1.356 176.232 174.900 -0.040 0.000 1.168 58 G CA 1.232 46.313 45.100 -0.032 0.000 0.771 58 G HN 0.588 nan 8.290 nan 0.000 0.551 59 E N 0.255 120.429 120.200 -0.044 0.000 2.021 59 E HA -0.177 4.173 4.350 0.000 0.000 0.200 59 E C 2.681 179.219 176.600 -0.103 0.000 1.015 59 E CA 1.154 57.522 56.400 -0.052 0.000 0.824 59 E CB -0.140 29.536 29.700 -0.039 0.000 0.762 59 E HN 0.340 nan 8.360 nan 0.000 0.454 60 R N -0.234 120.173 120.500 -0.154 0.000 2.119 60 R HA -0.194 4.146 4.340 0.000 0.000 0.246 60 R C 2.336 178.369 176.300 -0.446 0.000 1.146 60 R CA 1.241 57.136 56.100 -0.342 0.000 0.962 60 R CB -0.445 29.664 30.300 -0.318 0.000 0.863 60 R HN 0.253 nan 8.270 nan 0.000 0.442 61 A N 0.683 123.389 122.820 -0.191 0.000 2.066 61 A HA -0.090 4.230 4.320 0.000 0.000 0.218 61 A C 2.033 179.630 177.584 0.022 0.000 1.157 61 A CA 0.786 52.795 52.037 -0.047 0.000 0.670 61 A CB -0.197 18.799 19.000 -0.007 0.000 0.804 61 A HN 0.202 nan 8.150 nan 0.000 0.453 62 R N 0.041 120.535 120.500 -0.011 0.000 2.055 62 R HA -0.082 4.258 4.340 0.000 0.000 0.226 62 R C 1.409 177.744 176.300 0.059 0.000 1.135 62 R CA 1.460 57.578 56.100 0.029 0.000 0.959 62 R CB -0.211 30.096 30.300 0.012 0.000 0.854 62 R HN 0.763 nan 8.270 nan 0.000 0.431 63 E N -0.841 119.367 120.200 0.013 0.000 2.382 63 E HA -0.059 4.291 4.350 0.000 0.000 0.190 63 E C 0.544 177.257 176.600 0.187 0.000 1.125 63 E CA 0.707 57.147 56.400 0.066 0.000 0.929 63 E CB -0.057 29.653 29.700 0.017 0.000 1.053 63 E HN 0.559 nan 8.360 nan 0.000 0.475 64 H N -0.437 118.739 119.070 0.177 0.000 2.501 64 H HA 0.216 4.772 4.556 0.000 0.000 0.281 64 H C 1.932 177.539 175.328 0.465 0.000 0.988 64 H CA -0.019 56.230 56.048 0.335 0.000 1.232 64 H CB 0.453 30.310 29.762 0.160 0.000 1.455 64 H HN 0.031 nan 8.280 nan 0.000 0.501 65 R N 1.617 122.342 120.500 0.374 0.000 2.120 65 R HA -0.079 4.261 4.340 0.000 0.000 0.234 65 R C 2.128 178.505 176.300 0.129 0.000 1.123 65 R CA 1.174 57.400 56.100 0.210 0.000 0.975 65 R CB -0.120 30.259 30.300 0.132 0.000 0.866 65 R HN 0.244 nan 8.270 nan 0.000 0.446 66 A N 0.419 123.330 122.820 0.150 0.000 1.829 66 A HA -0.216 4.104 4.320 0.000 0.000 0.216 66 A C 2.238 179.882 177.584 0.101 0.000 1.207 66 A CA 2.382 54.483 52.037 0.107 0.000 0.622 66 A CB -1.587 17.482 19.000 0.114 0.000 0.846 66 A HN 0.620 nan 8.150 nan 0.000 0.447 67 T N -2.264 112.415 114.554 0.208 0.000 2.996 67 T HA -0.023 4.327 4.350 0.000 0.000 0.271 67 T C 0.831 175.485 174.700 -0.077 0.000 1.126 67 T CA 1.030 63.255 62.100 0.208 0.000 1.103 67 T CB -0.651 68.491 68.868 0.456 0.000 0.870 67 T HN 0.366 nan 8.240 nan 0.000 0.528 68 M N 2.114 121.543 119.600 -0.285 0.000 2.268 68 M HA 0.417 4.897 4.480 0.000 0.000 0.349 68 M C -0.537 175.445 176.300 -0.530 0.000 1.485 68 M CA -0.087 54.687 55.300 -0.878 0.000 1.094 68 M CB 0.118 32.223 32.600 -0.825 0.000 1.843 68 M HN 0.312 nan 8.290 nan 0.000 0.460 69 A N 8.150 130.643 122.820 -0.545 0.000 2.745 69 A HA 0.543 4.863 4.320 0.000 0.000 0.301 69 A C -2.671 174.730 177.584 -0.304 0.000 1.188 69 A CA -1.181 50.664 52.037 -0.320 0.000 0.746 69 A CB 0.439 19.320 19.000 -0.198 0.000 1.207 69 A HN 0.602 nan 8.150 nan 0.000 0.432 70 P HA 0.090 nan 4.420 nan 0.000 0.266 70 P C 0.600 177.655 177.300 -0.408 0.000 1.419 70 P CA 0.761 63.505 63.100 -0.594 0.000 1.112 70 P CB 0.339 31.546 31.700 -0.822 0.000 1.438 71 T N 1.901 116.390 114.554 -0.107 0.000 2.923 71 T HA 0.542 4.892 4.350 0.000 0.000 0.282 71 T C -2.127 172.678 174.700 0.175 0.000 1.137 71 T CA -1.631 60.465 62.100 -0.006 0.000 0.958 71 T CB 0.587 69.417 68.868 -0.064 0.000 1.961 71 T HN -0.048 nan 8.240 nan 0.000 0.586 72 P HA 0.326 nan 4.420 nan 0.000 0.290 72 P C 0.191 177.508 177.300 0.028 0.000 1.447 72 P CA 0.112 63.281 63.100 0.115 0.000 1.127 72 P CB 0.654 32.408 31.700 0.090 0.000 1.555 73 T N -5.494 108.945 114.554 -0.193 0.000 3.328 73 T HA 0.245 4.596 4.350 0.000 0.000 0.297 73 T C 0.283 174.447 174.700 -0.893 0.000 0.882 73 T CA -0.142 61.750 62.100 -0.348 0.000 0.906 73 T CB -0.242 68.542 68.868 -0.140 0.000 1.210 73 T HN 0.063 nan 8.240 nan 0.000 0.631 74 S N 0.154 115.242 115.700 -1.021 0.000 2.615 74 S HA 0.735 5.205 4.470 0.000 0.000 0.269 74 S C -0.312 174.044 174.600 -0.407 0.000 1.161 74 S CA -0.794 56.845 58.200 -0.935 0.000 0.817 74 S CB 1.779 64.813 63.200 -0.277 0.000 1.131 74 S HN 0.107 nan 8.310 nan 0.000 0.467 75 L N -0.225 121.054 121.223 0.092 0.000 2.609 75 L HA 0.595 4.935 4.340 0.000 0.000 0.230 75 L C -0.632 176.218 176.870 -0.034 0.000 1.064 75 L CA 0.119 55.071 54.840 0.188 0.000 0.873 75 L CB 0.147 42.465 42.059 0.432 0.000 1.139 75 L HN 0.731 nan 8.230 nan 0.000 0.490 76 W N 2.120 123.501 121.300 0.135 0.000 2.656 76 W HA 0.385 5.045 4.660 0.000 0.000 0.327 76 W C -2.009 174.577 176.519 0.111 0.000 1.041 76 W CA -1.855 55.584 57.345 0.156 0.000 1.229 76 W CB 1.273 30.908 29.460 0.292 0.000 1.397 76 W HN -0.158 nan 8.180 nan 0.000 0.479 77 P HA -0.093 nan 4.420 nan 0.000 0.261 77 P C 0.774 178.125 177.300 0.086 0.000 1.158 77 P CA 1.775 64.939 63.100 0.106 0.000 0.758 77 P CB 0.198 31.956 31.700 0.096 0.000 0.763 78 G N 1.945 110.705 108.800 -0.066 0.000 2.148 78 G HA2 -0.201 3.760 3.960 0.000 0.000 0.254 78 G HA3 -0.201 3.760 3.960 0.000 0.000 0.254 78 G C 0.059 174.609 174.900 -0.584 0.000 0.981 78 G CA -0.189 44.744 45.100 -0.279 0.000 0.670 78 G HN 0.780 nan 8.290 nan 0.000 0.528 79 H N 0.156 119.193 119.070 -0.056 0.000 2.596 79 H HA 0.248 4.804 4.556 0.000 0.000 0.240 79 H C -2.608 172.723 175.328 0.006 0.000 1.406 79 H CA -0.837 55.163 56.048 -0.081 0.000 1.504 79 H CB 1.773 31.430 29.762 -0.175 0.000 1.688 79 H HN 0.313 nan 8.280 nan 0.000 0.546 80 P HA 0.048 nan 4.420 nan 0.000 0.274 80 P C 0.712 178.128 177.300 0.194 0.000 1.237 80 P CA -0.452 62.651 63.100 0.005 0.000 0.793 80 P CB 1.041 32.742 31.700 0.002 0.000 0.977 81 F N -0.580 119.452 119.950 0.137 0.000 2.722 81 F HA 0.054 4.581 4.527 0.000 0.000 0.298 81 F C 0.982 176.944 175.800 0.270 0.000 1.175 81 F CA 0.677 58.777 58.000 0.167 0.000 1.462 81 F CB -0.641 38.471 39.000 0.187 0.000 1.111 81 F HN 0.203 nan 8.300 nan 0.000 0.592 82 D N -0.050 120.576 120.400 0.376 0.000 2.616 82 D HA 0.241 4.881 4.640 0.000 0.000 0.238 82 D C -2.800 173.616 176.300 0.193 0.000 1.354 82 D CA -1.930 52.270 54.000 0.332 0.000 0.970 82 D CB 2.223 43.074 40.800 0.086 0.000 1.369 82 D HN -0.160 nan 8.370 nan 0.000 0.585 83 P HA 0.217 nan 4.420 nan 0.000 0.270 83 P C -2.082 175.385 177.300 0.278 0.000 1.227 83 P CA -0.971 62.281 63.100 0.254 0.000 0.788 83 P CB 0.149 31.941 31.700 0.153 0.000 0.926 84 P HA -0.117 nan 4.420 nan 0.000 0.222 84 P C 1.106 178.302 177.300 -0.173 0.000 1.147 84 P CA 1.428 64.463 63.100 -0.107 0.000 0.790 84 P CB -0.427 31.062 31.700 -0.351 0.000 0.780 85 A N -0.017 122.786 122.820 -0.028 0.000 2.186 85 A HA -0.088 4.232 4.320 0.000 0.000 0.219 85 A C 2.320 179.959 177.584 0.092 0.000 1.159 85 A CA 1.787 53.833 52.037 0.016 0.000 0.680 85 A CB -1.719 17.306 19.000 0.042 0.000 0.787 85 A HN 0.312 nan 8.150 nan 0.000 0.467 86 G N -0.245 108.644 108.800 0.148 0.000 2.511 86 G HA2 -0.011 3.949 3.960 0.000 0.000 0.217 86 G HA3 -0.011 3.949 3.960 0.000 0.000 0.217 86 G C 1.388 176.457 174.900 0.281 0.000 1.133 86 G CA 0.876 46.141 45.100 0.276 0.000 0.792 86 G HN 0.514 nan 8.290 nan 0.000 0.539 87 I N 0.792 121.392 120.570 0.049 0.000 2.193 87 I HA -0.124 4.046 4.170 0.000 0.000 0.240 87 I C 2.966 179.013 176.117 -0.116 0.000 1.084 87 I CA 1.367 62.552 61.300 -0.191 0.000 1.365 87 I CB -0.700 37.009 38.000 -0.485 0.000 1.064 87 I HN 0.014 nan 8.210 nan 0.000 0.410 88 T N 1.245 115.745 114.554 -0.089 0.000 2.652 88 T HA -0.255 4.096 4.350 0.000 0.000 0.267 88 T C 1.745 176.449 174.700 0.007 0.000 1.039 88 T CA 1.842 63.927 62.100 -0.025 0.000 1.153 88 T CB -0.595 68.261 68.868 -0.020 0.000 0.863 88 T HN 0.262 nan 8.240 nan 0.000 0.428 89 F N 2.176 122.064 119.950 -0.103 0.000 2.087 89 F HA -0.197 4.330 4.527 0.000 0.000 0.299 89 F C 2.414 178.062 175.800 -0.254 0.000 1.100 89 F CA 1.334 59.215 58.000 -0.199 0.000 1.226 89 F CB -0.696 38.130 39.000 -0.290 0.000 0.983 89 F HN 0.158 nan 8.300 nan 0.000 0.479 90 A N -0.646 122.143 122.820 -0.051 0.000 1.855 90 A HA -0.199 4.121 4.320 0.000 0.000 0.215 90 A C 2.045 179.518 177.584 -0.186 0.000 1.191 90 A CA 1.681 53.666 52.037 -0.087 0.000 0.613 90 A CB -1.627 17.501 19.000 0.213 0.000 0.829 90 A HN 0.493 nan 8.150 nan 0.000 0.442 91 Y N 0.510 120.750 120.300 -0.100 0.000 2.193 91 Y HA -0.151 4.399 4.550 0.000 0.000 0.285 91 Y C 2.777 178.608 175.900 -0.115 0.000 1.166 91 Y CA 0.830 58.870 58.100 -0.099 0.000 1.181 91 Y CB -1.126 37.227 38.460 -0.178 0.000 0.976 91 Y HN 0.326 nan 8.280 nan 0.000 0.520 92 G N -0.265 108.492 108.800 -0.071 0.000 2.505 92 G HA2 -0.296 3.664 3.960 0.000 0.000 0.220 92 G HA3 -0.296 3.664 3.960 0.000 0.000 0.220 92 G C 1.849 176.624 174.900 -0.208 0.000 1.145 92 G CA 1.188 46.200 45.100 -0.146 0.000 0.761 92 G HN 0.328 nan 8.290 nan 0.000 0.571 93 R N -0.417 119.765 120.500 -0.529 0.000 2.093 93 R HA 0.209 4.549 4.340 0.000 0.000 0.224 93 R C 2.646 178.832 176.300 -0.189 0.000 1.101 93 R CA 0.426 56.117 56.100 -0.681 0.000 0.979 93 R CB -0.390 28.913 30.300 -1.662 0.000 0.877 93 R HN 0.324 nan 8.270 nan 0.000 0.441 94 L N -0.028 121.190 121.223 -0.008 0.000 2.127 94 L HA -0.212 4.128 4.340 0.000 0.000 0.211 94 L C 2.377 179.372 176.870 0.208 0.000 1.089 94 L CA 1.190 56.139 54.840 0.181 0.000 0.757 94 L CB -0.506 41.702 42.059 0.248 0.000 0.899 94 L HN 0.494 nan 8.230 nan 0.000 0.434 95 W N 1.117 122.434 121.300 0.028 0.000 2.407 95 W HA -0.188 4.472 4.660 0.000 0.000 0.305 95 W C 2.133 178.680 176.519 0.046 0.000 1.196 95 W CA 1.652 59.021 57.345 0.039 0.000 1.311 95 W CB -0.205 29.263 29.460 0.013 0.000 1.135 95 W HN 0.071 nan 8.180 nan 0.000 0.514 96 T N 2.008 116.482 114.554 -0.134 0.000 2.759 96 T HA -0.243 4.107 4.350 0.000 0.000 0.269 96 T C 1.857 176.477 174.700 -0.134 0.000 1.042 96 T CA 2.158 64.139 62.100 -0.198 0.000 1.140 96 T CB -0.430 68.443 68.868 0.008 0.000 0.864 96 T HN 0.176 nan 8.240 nan 0.000 0.455 97 M N 0.675 120.266 119.600 -0.014 0.000 2.200 97 M HA -0.060 4.420 4.480 0.000 0.000 0.265 97 M C 2.587 178.876 176.300 -0.019 0.000 1.066 97 M CA 1.202 56.523 55.300 0.036 0.000 1.127 97 M CB -0.669 32.006 32.600 0.126 0.000 1.379 97 M HN 0.166 nan 8.290 nan 0.000 0.420 98 T N 0.421 114.929 114.554 -0.077 0.000 2.708 98 T HA -0.134 4.216 4.350 0.000 0.000 0.266 98 T C 1.546 176.129 174.700 -0.196 0.000 1.037 98 T CA 1.361 63.413 62.100 -0.080 0.000 1.146 98 T CB -0.296 68.564 68.868 -0.013 0.000 0.865 98 T HN 0.461 nan 8.240 nan 0.000 0.435 99 E N 1.147 121.040 120.200 -0.512 0.000 2.130 99 E HA -0.146 4.204 4.350 0.000 0.000 0.196 99 E C 2.470 178.965 176.600 -0.176 0.000 0.998 99 E CA 1.070 57.205 56.400 -0.442 0.000 0.806 99 E CB -0.222 29.151 29.700 -0.545 0.000 0.738 99 E HN 0.503 nan 8.360 nan 0.000 0.459 100 A N 0.577 123.330 122.820 -0.112 0.000 1.930 100 A HA -0.184 4.136 4.320 0.000 0.000 0.217 100 A C 1.989 179.580 177.584 0.011 0.000 1.175 100 A CA 1.110 53.124 52.037 -0.038 0.000 0.627 100 A CB -0.616 18.377 19.000 -0.012 0.000 0.815 100 A HN 0.365 nan 8.150 nan 0.000 0.443 101 Y N 0.904 121.159 120.300 -0.076 0.000 2.163 101 Y HA -0.171 4.379 4.550 0.000 0.000 0.288 101 Y C 2.398 178.273 175.900 -0.043 0.000 1.136 101 Y CA 2.256 60.322 58.100 -0.058 0.000 1.147 101 Y CB -0.063 38.361 38.460 -0.060 0.000 0.987 101 Y HN 0.196 nan 8.280 nan 0.000 0.509 102 V N -1.756 118.168 119.914 0.017 0.000 3.052 102 V HA 0.059 4.179 4.120 0.000 0.000 0.254 102 V C 0.385 176.446 176.094 -0.054 0.000 1.100 102 V CA 0.359 62.650 62.300 -0.015 0.000 1.112 102 V CB -0.592 31.296 31.823 0.107 0.000 0.738 102 V HN 0.267 nan 8.190 nan 0.000 0.469 103 Q N 1.637 121.407 119.800 -0.050 0.000 2.243 103 Q HA 0.347 4.687 4.340 0.000 0.000 0.252 103 Q C -0.449 175.530 176.000 -0.036 0.000 0.909 103 Q CA -0.509 55.284 55.803 -0.017 0.000 0.922 103 Q CB 1.329 30.077 28.738 0.018 0.000 1.215 103 Q HN 0.483 nan 8.270 nan 0.000 0.427 104 E N 0.440 120.620 120.200 -0.034 0.000 2.418 104 E HA 0.064 4.414 4.350 0.000 0.000 0.261 104 E C 0.831 177.428 176.600 -0.005 0.000 1.070 104 E CA 0.775 57.149 56.400 -0.044 0.000 0.931 104 E CB 0.560 30.218 29.700 -0.070 0.000 0.954 104 E HN 0.970 nan 8.360 nan 0.000 0.439 105 G N 1.772 110.564 108.800 -0.012 0.000 2.143 105 G HA2 -0.327 3.633 3.960 0.000 0.000 0.249 105 G HA3 -0.327 3.633 3.960 0.000 0.000 0.249 105 G C 0.860 175.766 174.900 0.010 0.000 0.981 105 G CA 0.835 45.941 45.100 0.010 0.000 0.665 105 G HN 0.572 nan 8.290 nan 0.000 0.528 106 T N -2.449 112.101 114.554 -0.006 0.000 3.065 106 T HA 0.434 4.784 4.350 0.000 0.000 0.252 106 T C 2.357 177.050 174.700 -0.012 0.000 1.099 106 T CA 1.508 63.602 62.100 -0.010 0.000 1.063 106 T CB 0.401 69.256 68.868 -0.021 0.000 0.948 106 T HN 2.144 nan 8.240 nan 0.000 0.506 107 G N 0.861 109.651 108.800 -0.016 0.000 2.148 107 G HA2 -0.065 3.895 3.960 0.000 0.000 0.254 107 G HA3 -0.065 3.895 3.960 0.000 0.000 0.254 107 G C 0.608 175.499 174.900 -0.016 0.000 0.981 107 G CA -0.084 45.008 45.100 -0.014 0.000 0.670 107 G HN 1.404 nan 8.290 nan 0.000 0.528 108 A N -0.983 121.822 122.820 -0.025 0.000 2.701 108 A HA 0.578 4.898 4.320 0.000 0.000 0.241 108 A C 0.886 178.431 177.584 -0.064 0.000 1.231 108 A CA 1.226 53.252 52.037 -0.017 0.000 1.003 108 A CB 0.172 19.180 19.000 0.013 0.000 1.281 108 A HN 0.978 nan 8.150 nan 0.000 0.600 109 T N 0.710 115.198 114.554 -0.109 0.000 2.849 109 T HA 0.374 4.724 4.350 0.000 0.000 0.289 109 T C 1.535 176.060 174.700 -0.292 0.000 1.010 109 T CA 1.387 63.356 62.100 -0.218 0.000 1.161 109 T CB 0.482 69.255 68.868 -0.158 0.000 0.989 109 T HN 1.646 nan 8.240 nan 0.000 0.523 110 G N 2.880 111.300 108.800 -0.632 0.000 2.253 110 G HA2 -0.276 3.684 3.960 0.000 0.000 0.251 110 G HA3 -0.276 3.684 3.960 0.000 0.000 0.251 110 G C 0.103 174.910 174.900 -0.155 0.000 0.998 110 G CA 0.038 44.813 45.100 -0.540 0.000 0.621 110 G HN 0.884 nan 8.290 nan 0.000 0.524 111 D N 2.181 122.571 120.400 -0.016 0.000 2.455 111 D HA 0.176 4.816 4.640 0.000 0.000 0.265 111 D C 0.222 176.660 176.300 0.231 0.000 1.284 111 D CA -0.864 53.205 54.000 0.115 0.000 0.944 111 D CB 1.036 41.889 40.800 0.089 0.000 1.121 111 D HN 0.279 nan 8.370 nan 0.000 0.525 112 P HA -0.158 nan 4.420 nan 0.000 0.221 112 P C 0.857 178.179 177.300 0.037 0.000 1.145 112 P CA 0.920 64.077 63.100 0.095 0.000 0.795 112 P CB 0.262 31.999 31.700 0.061 0.000 0.775 113 A N -0.155 122.692 122.820 0.045 0.000 1.903 113 A HA -0.070 4.250 4.320 0.000 0.000 0.213 113 A C 2.171 179.762 177.584 0.012 0.000 1.185 113 A CA 0.851 52.900 52.037 0.020 0.000 0.628 113 A CB -1.481 17.533 19.000 0.023 0.000 0.830 113 A HN 0.134 nan 8.150 nan 0.000 0.446 114 L N -0.281 120.968 121.223 0.044 0.000 2.012 114 L HA -0.167 4.173 4.340 0.000 0.000 0.210 114 L C 2.249 179.081 176.870 -0.064 0.000 1.073 114 L CA 2.188 57.052 54.840 0.040 0.000 0.748 114 L CB -0.889 41.244 42.059 0.122 0.000 0.891 114 L HN 0.354 nan 8.230 nan 0.000 0.431 115 L N 0.040 121.147 121.223 -0.193 0.000 2.021 115 L HA -0.218 4.122 4.340 0.000 0.000 0.215 115 L C 2.502 179.247 176.870 -0.207 0.000 1.074 115 L CA 2.375 56.950 54.840 -0.442 0.000 0.760 115 L CB -1.253 40.398 42.059 -0.679 0.000 0.889 115 L HN 0.339 nan 8.230 nan 0.000 0.433 116 A N -1.207 121.547 122.820 -0.110 0.000 1.933 116 A HA -0.217 4.103 4.320 0.000 0.000 0.218 116 A C 1.951 179.510 177.584 -0.042 0.000 1.175 116 A CA 1.819 53.820 52.037 -0.059 0.000 0.628 116 A CB -0.867 18.113 19.000 -0.034 0.000 0.814 116 A HN 0.542 nan 8.150 nan 0.000 0.444 117 D N 0.051 120.430 120.400 -0.035 0.000 2.084 117 D HA -0.129 4.511 4.640 0.000 0.000 0.194 117 D C 1.757 178.055 176.300 -0.004 0.000 0.990 117 D CA 1.405 55.391 54.000 -0.023 0.000 0.826 117 D CB -0.328 40.470 40.800 -0.004 0.000 0.971 117 D HN 0.484 nan 8.370 nan 0.000 0.453 118 I N 0.041 120.615 120.570 0.006 0.000 2.151 118 I HA -0.276 3.894 4.170 0.000 0.000 0.243 118 I C 2.126 178.266 176.117 0.037 0.000 1.080 118 I CA 0.648 61.972 61.300 0.040 0.000 1.339 118 I CB -0.175 37.827 38.000 0.004 0.000 1.039 118 I HN 0.029 nan 8.210 nan 0.000 0.409 119 L N 0.735 121.955 121.223 -0.004 0.000 2.042 119 L HA -0.222 4.118 4.340 0.000 0.000 0.210 119 L C 2.703 179.594 176.870 0.034 0.000 1.076 119 L CA 1.946 56.794 54.840 0.013 0.000 0.749 119 L CB -0.762 41.289 42.059 -0.013 0.000 0.893 119 L HN 0.273 nan 8.230 nan 0.000 0.432 120 R N -1.020 119.489 120.500 0.015 0.000 2.115 120 R HA -0.041 4.299 4.340 0.000 0.000 0.226 120 R C 2.132 178.461 176.300 0.049 0.000 1.100 120 R CA 1.283 57.394 56.100 0.019 0.000 0.980 120 R CB -0.894 29.394 30.300 -0.020 0.000 0.875 120 R HN 0.305 nan 8.270 nan 0.000 0.445 121 G N 1.590 110.414 108.800 0.040 0.000 2.408 121 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 121 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 121 G C 1.488 176.464 174.900 0.127 0.000 1.150 121 G CA 0.629 45.772 45.100 0.071 0.000 0.776 121 G HN 0.216 nan 8.290 nan 0.000 0.542 122 L N 0.291 121.589 121.223 0.125 0.000 2.072 122 L HA 0.004 4.344 4.340 0.000 0.000 0.205 122 L C 2.425 179.385 176.870 0.149 0.000 1.079 122 L CA 0.886 55.819 54.840 0.155 0.000 0.752 122 L CB -0.301 41.862 42.059 0.173 0.000 0.906 122 L HN 0.065 nan 8.230 nan 0.000 0.436 123 D N -1.097 119.378 120.400 0.126 0.000 2.178 123 D HA -0.215 4.425 4.640 0.000 0.000 0.201 123 D C 1.901 178.288 176.300 0.145 0.000 0.980 123 D CA 1.206 55.274 54.000 0.113 0.000 0.842 123 D CB -0.053 40.796 40.800 0.081 0.000 0.948 123 D HN 0.361 nan 8.370 nan 0.000 0.472 124 H N 0.830 119.934 119.070 0.057 0.000 2.261 124 H HA 0.005 4.561 4.556 0.000 0.000 0.301 124 H C 2.251 177.640 175.328 0.101 0.000 1.067 124 H CA 1.327 57.420 56.048 0.075 0.000 1.297 124 H CB -0.603 29.203 29.762 0.073 0.000 1.377 124 H HN -0.006 nan 8.280 nan 0.000 0.492 125 L N -0.544 120.684 121.223 0.007 0.000 2.021 125 L HA -0.274 4.066 4.340 0.000 0.000 0.215 125 L C 2.820 179.727 176.870 0.063 0.000 1.074 125 L CA 1.781 56.555 54.840 -0.111 0.000 0.760 125 L CB -0.886 41.047 42.059 -0.211 0.000 0.889 125 L HN 0.329 nan 8.230 nan 0.000 0.433 126 S N -0.687 115.099 115.700 0.142 0.000 2.383 126 S HA -0.183 4.287 4.470 0.000 0.000 0.229 126 S C 1.905 176.557 174.600 0.086 0.000 1.030 126 S CA 1.403 59.717 58.200 0.190 0.000 1.002 126 S CB -0.075 63.221 63.200 0.159 0.000 0.829 126 S HN 0.476 nan 8.310 nan 0.000 0.467 127 A N -0.414 122.405 122.820 -0.002 0.000 2.147 127 A HA 0.219 4.539 4.320 0.000 0.000 0.211 127 A C 2.062 179.555 177.584 -0.152 0.000 1.160 127 A CA 1.090 53.044 52.037 -0.139 0.000 0.781 127 A CB -0.517 18.448 19.000 -0.058 0.000 0.842 127 A HN 0.550 nan 8.150 nan 0.000 0.475 128 T N -0.457 114.090 114.554 -0.012 0.000 2.896 128 T HA 0.040 4.390 4.350 0.000 0.000 0.238 128 T C 1.886 176.796 174.700 0.350 0.000 1.045 128 T CA 1.973 64.128 62.100 0.092 0.000 1.248 128 T CB -0.615 68.233 68.868 -0.034 0.000 0.955 128 T HN 0.299 nan 8.240 nan 0.000 0.416 129 V N -2.169 117.895 119.914 0.250 0.000 2.627 129 V HA 0.321 4.441 4.120 0.000 0.000 0.239 129 V C 0.897 177.227 176.094 0.394 0.000 1.077 129 V CA 0.099 62.582 62.300 0.306 0.000 1.103 129 V CB -0.890 31.009 31.823 0.127 0.000 0.802 129 V HN 0.395 nan 8.190 nan 0.000 0.482 130 Y N 5.608 126.070 120.300 0.269 0.000 2.636 130 Y HA 0.458 5.008 4.550 0.000 0.000 0.341 130 Y C 0.191 176.382 175.900 0.486 0.000 1.169 130 Y CA -0.711 57.642 58.100 0.422 0.000 1.498 130 Y CB -0.784 37.858 38.460 0.303 0.000 1.362 130 Y HN 0.609 nan 8.280 nan 0.000 0.494 131 H N 2.981 122.190 119.070 0.232 0.000 3.024 131 H HA 0.242 4.798 4.556 0.000 0.000 0.324 131 H C -2.980 172.193 175.328 -0.259 0.000 1.347 131 H CA -2.292 53.760 56.048 0.007 0.000 1.182 131 H CB 1.386 31.167 29.762 0.032 0.000 1.889 131 H HN 0.097 nan 8.280 nan 0.000 0.528 132 P HA 0.029 nan 4.420 nan 0.000 0.231 132 P C 1.173 177.941 177.300 -0.886 0.000 1.158 132 P CA 1.746 64.247 63.100 -0.998 0.000 0.763 132 P CB -0.134 31.203 31.700 -0.606 0.000 0.805 133 A N -1.343 121.271 122.820 -0.343 0.000 2.072 133 A HA 0.040 4.360 4.320 0.000 0.000 0.216 133 A C 1.169 178.615 177.584 -0.230 0.000 1.156 133 A CA 0.849 52.781 52.037 -0.175 0.000 0.701 133 A CB -1.116 17.977 19.000 0.154 0.000 0.816 133 A HN 0.119 nan 8.150 nan 0.000 0.458 134 T N 1.154 115.441 114.554 -0.444 0.000 2.884 134 T HA 0.366 4.716 4.350 0.000 0.000 0.298 134 T C 0.200 174.864 174.700 -0.060 0.000 0.998 134 T CA 0.463 62.448 62.100 -0.193 0.000 1.124 134 T CB 0.930 69.718 68.868 -0.132 0.000 0.931 134 T HN 0.312 nan 8.240 nan 0.000 0.531 135 T N 4.045 118.581 114.554 -0.029 0.000 2.767 135 T HA 0.390 4.740 4.350 0.000 0.000 0.284 135 T C 0.536 175.111 174.700 -0.208 0.000 0.973 135 T CA -0.927 61.135 62.100 -0.064 0.000 0.996 135 T CB 0.370 69.226 68.868 -0.020 0.000 0.927 135 T HN 0.557 nan 8.240 nan 0.000 0.456 136 R N 2.133 122.345 120.500 -0.479 0.000 2.770 136 R HA 0.185 4.525 4.340 0.000 0.000 0.275 136 R C -0.725 175.323 176.300 -0.420 0.000 0.972 136 R CA 1.148 56.650 56.100 -0.997 0.000 1.118 136 R CB 0.048 29.928 30.300 -0.699 0.000 0.993 136 R HN 0.802 nan 8.270 nan 0.000 0.447 137 Y N -3.456 116.722 120.300 -0.204 0.000 2.620 137 Y HA 0.459 5.009 4.550 0.000 0.000 0.331 137 Y C 0.032 176.117 175.900 0.307 0.000 1.173 137 Y CA -0.789 57.371 58.100 0.100 0.000 1.076 137 Y CB 0.273 38.820 38.460 0.145 0.000 1.336 137 Y HN 0.892 nan 8.280 nan 0.000 0.459 138 G N 1.792 110.848 108.800 0.426 0.000 2.601 138 G HA2 -0.337 3.623 3.960 0.000 0.000 0.261 138 G HA3 -0.337 3.623 3.960 0.000 0.000 0.261 138 G C -0.517 174.565 174.900 0.304 0.000 1.289 138 G CA 0.005 45.313 45.100 0.346 0.000 0.920 138 G HN 1.220 nan 8.290 nan 0.000 0.571 139 N N 1.999 120.844 118.700 0.241 0.000 2.332 139 N HA -0.015 4.725 4.740 0.000 0.000 0.274 139 N C 1.806 177.450 175.510 0.224 0.000 1.351 139 N CA 0.742 53.893 53.050 0.168 0.000 0.875 139 N CB -0.215 38.286 38.487 0.024 0.000 1.140 139 N HN 0.680 nan 8.380 nan 0.000 0.489 140 W N 3.526 124.963 121.300 0.228 0.000 2.325 140 W HA -0.207 4.453 4.660 0.000 0.000 0.299 140 W C 1.393 178.065 176.519 0.256 0.000 1.215 140 W CA 0.163 57.639 57.345 0.219 0.000 1.244 140 W CB -1.309 28.220 29.460 0.114 0.000 1.140 140 W HN 0.661 nan 8.180 nan 0.000 0.523 141 W N 2.779 123.286 121.300 -1.321 0.000 2.325 141 W HA -0.228 4.432 4.660 0.000 0.000 0.299 141 W C 2.381 178.594 176.519 -0.509 0.000 1.215 141 W CA 2.865 59.443 57.345 -1.279 0.000 1.244 141 W CB -0.183 28.495 29.460 -1.303 0.000 1.140 141 W HN -0.123 nan 8.180 nan 0.000 0.523 142 E N -1.231 118.925 120.200 -0.072 0.000 2.152 142 E HA -0.191 4.159 4.350 0.000 0.000 0.192 142 E C 1.690 178.079 176.600 -0.352 0.000 0.983 142 E CA 1.495 57.797 56.400 -0.164 0.000 0.818 142 E CB -0.969 28.602 29.700 -0.215 0.000 0.758 142 E HN 0.517 nan 8.360 nan 0.000 0.467 143 W N 1.193 122.351 121.300 -0.238 0.000 2.576 143 W HA 0.051 4.711 4.660 0.000 0.000 0.270 143 W C 2.125 178.531 176.519 -0.188 0.000 1.255 143 W CA 0.241 57.412 57.345 -0.290 0.000 1.314 143 W CB 0.091 29.244 29.460 -0.512 0.000 1.101 143 W HN 0.045 nan 8.180 nan 0.000 0.595 144 Q N -0.859 118.969 119.800 0.046 0.000 2.352 144 Q HA 0.217 4.557 4.340 0.000 0.000 0.212 144 Q C 1.503 177.401 176.000 -0.172 0.000 0.888 144 Q CA 0.644 56.480 55.803 0.054 0.000 0.934 144 Q CB 0.694 29.580 28.738 0.245 0.000 1.093 144 Q HN 0.368 nan 8.270 nan 0.000 0.523 145 I N -1.811 118.447 120.570 -0.519 0.000 3.814 145 I HA 0.109 4.279 4.170 0.000 0.000 0.264 145 I C 1.966 177.544 176.117 -0.899 0.000 1.145 145 I CA 0.462 61.289 61.300 -0.789 0.000 1.375 145 I CB -0.141 37.103 38.000 -1.260 0.000 1.638 145 I HN 0.110 nan 8.210 nan 0.000 0.432 146 G N 1.086 109.139 108.800 -1.245 0.000 2.511 146 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 146 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 146 G C 1.628 176.261 174.900 -0.446 0.000 1.218 146 G CA 1.466 46.079 45.100 -0.812 0.000 0.788 146 G HN 0.349 nan 8.290 nan 0.000 0.560 147 S N 1.706 117.145 115.700 -0.436 0.000 2.357 147 S HA -0.032 4.438 4.470 0.000 0.000 0.221 147 S C 0.111 174.328 174.600 -0.639 0.000 1.031 147 S CA 1.421 59.304 58.200 -0.529 0.000 0.982 147 S CB -0.859 61.926 63.200 -0.691 0.000 0.853 147 S HN 0.398 nan 8.310 nan 0.000 0.458 148 P HA -0.049 nan 4.420 nan 0.000 0.219 148 P C 1.141 178.258 177.300 -0.305 0.000 1.150 148 P CA 1.021 63.947 63.100 -0.289 0.000 0.814 148 P CB -0.035 31.636 31.700 -0.050 0.000 0.787 149 R N -0.332 119.979 120.500 -0.314 0.000 2.073 149 R HA -0.041 4.299 4.340 0.000 0.000 0.234 149 R C 2.595 178.714 176.300 -0.302 0.000 1.134 149 R CA 1.201 57.140 56.100 -0.268 0.000 0.952 149 R CB -0.999 29.154 30.300 -0.245 0.000 0.850 149 R HN 0.218 nan 8.270 nan 0.000 0.433 150 L N 0.417 121.426 121.223 -0.356 0.000 2.046 150 L HA -0.193 4.147 4.340 0.000 0.000 0.208 150 L C 2.425 179.096 176.870 -0.332 0.000 1.077 150 L CA 0.724 55.350 54.840 -0.357 0.000 0.747 150 L CB -0.417 41.496 42.059 -0.243 0.000 0.896 150 L HN 0.197 nan 8.230 nan 0.000 0.432 151 L N -0.946 119.972 121.223 -0.510 0.000 2.056 151 L HA -0.190 4.150 4.340 0.000 0.000 0.207 151 L C 2.471 179.237 176.870 -0.174 0.000 1.078 151 L CA 1.686 56.254 54.840 -0.454 0.000 0.749 151 L CB -0.347 41.293 42.059 -0.700 0.000 0.901 151 L HN 0.136 nan 8.230 nan 0.000 0.433 152 M N -0.420 119.076 119.600 -0.174 0.000 2.149 152 M HA -0.205 4.275 4.480 0.000 0.000 0.261 152 M C 1.950 178.233 176.300 -0.027 0.000 1.064 152 M CA 1.492 56.731 55.300 -0.102 0.000 1.102 152 M CB -1.468 31.035 32.600 -0.163 0.000 1.369 152 M HN 0.298 nan 8.290 nan 0.000 0.408 153 D N 0.029 120.383 120.400 -0.077 0.000 2.123 153 D HA -0.011 4.629 4.640 0.000 0.000 0.200 153 D C 2.200 178.611 176.300 0.184 0.000 0.976 153 D CA 0.939 54.904 54.000 -0.058 0.000 0.831 153 D CB -0.145 40.251 40.800 -0.673 0.000 0.974 153 D HN 0.318 nan 8.370 nan 0.000 0.469 154 I N 0.906 121.612 120.570 0.227 0.000 2.127 154 I HA -0.278 3.892 4.170 0.000 0.000 0.241 154 I C 2.313 178.606 176.117 0.294 0.000 1.075 154 I CA 1.223 62.760 61.300 0.396 0.000 1.334 154 I CB -0.401 37.793 38.000 0.323 0.000 1.040 154 I HN -0.027 nan 8.210 nan 0.000 0.405 155 T N 0.668 115.343 114.554 0.201 0.000 2.699 155 T HA -0.245 4.105 4.350 0.000 0.000 0.268 155 T C 1.971 176.843 174.700 0.287 0.000 1.036 155 T CA 1.563 63.787 62.100 0.208 0.000 1.147 155 T CB -0.416 68.540 68.868 0.147 0.000 0.862 155 T HN 0.509 nan 8.240 nan 0.000 0.446 156 A N 1.144 124.121 122.820 0.261 0.000 1.898 156 A HA 0.257 4.577 4.320 0.000 0.000 0.216 156 A C 2.612 180.381 177.584 0.308 0.000 1.181 156 A CA 1.678 53.874 52.037 0.265 0.000 0.620 156 A CB -0.947 18.234 19.000 0.302 0.000 0.819 156 A HN 0.515 nan 8.150 nan 0.000 0.442 157 A N -0.664 122.374 122.820 0.365 0.000 1.897 157 A HA 0.208 4.528 4.320 0.000 0.000 0.215 157 A C 1.669 179.457 177.584 0.339 0.000 1.181 157 A CA 1.101 53.353 52.037 0.358 0.000 0.620 157 A CB -0.315 18.945 19.000 0.435 0.000 0.821 157 A HN 0.420 nan 8.150 nan 0.000 0.443 158 L N -1.251 120.174 121.223 0.336 0.000 2.872 158 L HA 0.166 4.506 4.340 0.000 0.000 0.245 158 L C 1.536 178.589 176.870 0.305 0.000 1.211 158 L CA -0.212 54.833 54.840 0.341 0.000 1.013 158 L CB -0.297 41.901 42.059 0.232 0.000 1.326 158 L HN 0.489 nan 8.230 nan 0.000 0.525 159 Y N 1.436 121.824 120.300 0.147 0.000 2.139 159 Y HA -0.348 4.202 4.550 0.000 0.000 0.282 159 Y C 2.087 178.005 175.900 0.030 0.000 1.179 159 Y CA 2.038 60.189 58.100 0.085 0.000 1.161 159 Y CB 0.182 38.690 38.460 0.079 0.000 0.970 159 Y HN 0.320 nan 8.280 nan 0.000 0.511 160 D N -1.751 118.704 120.400 0.092 0.000 2.234 160 D HA -0.094 4.546 4.640 0.000 0.000 0.205 160 D C 1.384 177.542 176.300 -0.237 0.000 0.962 160 D CA 1.385 55.312 54.000 -0.122 0.000 0.855 160 D CB -0.258 40.437 40.800 -0.175 0.000 0.951 160 D HN 0.599 nan 8.370 nan 0.000 0.500 161 H N -0.963 118.139 119.070 0.053 0.000 2.539 161 H HA 0.154 4.710 4.556 0.000 0.000 0.269 161 H C 0.117 175.433 175.328 -0.020 0.000 0.980 161 H CA -0.336 55.724 56.048 0.020 0.000 1.152 161 H CB 0.517 30.289 29.762 0.017 0.000 1.407 161 H HN -0.059 nan 8.280 nan 0.000 0.564 162 L N 0.680 121.929 121.223 0.043 0.000 2.379 162 L HA 0.346 4.686 4.340 0.000 0.000 0.269 162 L C 1.107 177.945 176.870 -0.053 0.000 1.084 162 L CA -0.403 54.439 54.840 0.003 0.000 0.802 162 L CB 0.964 43.025 42.059 0.002 0.000 1.175 162 L HN 0.185 nan 8.230 nan 0.000 0.448 163 G N 1.250 110.032 108.800 -0.031 0.000 2.353 163 G HA2 0.282 4.242 3.960 0.000 0.000 0.239 163 G HA3 0.282 4.242 3.960 0.000 0.000 0.239 163 G C 0.967 175.816 174.900 -0.086 0.000 1.295 163 G CA 0.184 45.256 45.100 -0.046 0.000 0.884 163 G HN 0.989 nan 8.290 nan 0.000 0.537 164 A N 2.216 124.971 122.820 -0.109 0.000 2.042 164 A HA -0.164 4.156 4.320 0.000 0.000 0.222 164 A C 2.019 179.561 177.584 -0.069 0.000 1.167 164 A CA 2.183 54.149 52.037 -0.118 0.000 0.649 164 A CB -0.207 18.734 19.000 -0.098 0.000 0.809 164 A HN 0.617 nan 8.150 nan 0.000 0.457 165 D N -0.760 119.613 120.400 -0.045 0.000 2.117 165 D HA -0.095 4.545 4.640 0.000 0.000 0.198 165 D C 2.163 178.456 176.300 -0.012 0.000 0.982 165 D CA 1.027 55.013 54.000 -0.024 0.000 0.828 165 D CB -0.330 40.460 40.800 -0.016 0.000 0.967 165 D HN 0.453 nan 8.370 nan 0.000 0.464 166 R N 0.341 120.836 120.500 -0.008 0.000 2.096 166 R HA -0.063 4.277 4.340 0.000 0.000 0.235 166 R C 2.289 178.600 176.300 0.020 0.000 1.127 166 R CA 0.545 56.655 56.100 0.017 0.000 0.968 166 R CB -0.095 30.218 30.300 0.022 0.000 0.861 166 R HN 0.073 nan 8.270 nan 0.000 0.440 167 V N 0.425 120.329 119.914 -0.016 0.000 2.379 167 V HA -0.168 3.952 4.120 0.000 0.000 0.245 167 V C 2.350 178.447 176.094 0.006 0.000 1.044 167 V CA 1.793 64.089 62.300 -0.007 0.000 1.036 167 V CB -0.493 31.286 31.823 -0.074 0.000 0.664 167 V HN 0.381 nan 8.190 nan 0.000 0.453 168 A N 0.097 122.910 122.820 -0.011 0.000 1.933 168 A HA -0.106 4.214 4.320 0.000 0.000 0.218 168 A C 2.402 179.990 177.584 0.007 0.000 1.175 168 A CA 2.057 54.089 52.037 -0.008 0.000 0.628 168 A CB -0.660 18.329 19.000 -0.019 0.000 0.814 168 A HN 0.550 nan 8.150 nan 0.000 0.444 169 A N -0.105 122.728 122.820 0.021 0.000 1.873 169 A HA 0.207 4.527 4.320 0.000 0.000 0.215 169 A C 2.531 180.160 177.584 0.076 0.000 1.186 169 A CA 1.965 54.027 52.037 0.043 0.000 0.616 169 A CB -1.110 17.921 19.000 0.052 0.000 0.823 169 A HN 1.068 nan 8.150 nan 0.000 0.442 170 A N -0.713 122.159 122.820 0.086 0.000 1.892 170 A HA -0.242 4.078 4.320 0.000 0.000 0.218 170 A C 2.315 179.951 177.584 0.088 0.000 1.188 170 A CA 1.898 54.000 52.037 0.108 0.000 0.631 170 A CB -1.418 17.632 19.000 0.083 0.000 0.822 170 A HN 0.625 nan 8.150 nan 0.000 0.447 171 C N -1.162 118.166 119.300 0.047 0.000 2.425 171 C HA 0.069 4.529 4.460 0.000 0.000 0.277 171 C C 3.298 178.298 174.990 0.017 0.000 1.280 171 C CA 0.755 59.785 59.018 0.021 0.000 1.744 171 C CB -1.397 26.342 27.740 -0.002 0.000 1.989 171 C HN 0.710 nan 8.230 nan 0.000 0.491 172 A N 0.387 123.216 122.820 0.014 0.000 1.968 172 A HA 0.174 4.494 4.320 0.000 0.000 0.217 172 A C 2.345 179.919 177.584 -0.017 0.000 1.169 172 A CA 1.745 53.775 52.037 -0.011 0.000 0.638 172 A CB -0.730 18.255 19.000 -0.025 0.000 0.812 172 A HN 0.545 nan 8.150 nan 0.000 0.446 173 A N -0.419 122.421 122.820 0.033 0.000 1.902 173 A HA -0.026 4.295 4.320 0.000 0.000 0.217 173 A C 2.178 179.828 177.584 0.110 0.000 1.181 173 A CA 1.832 53.897 52.037 0.047 0.000 0.623 173 A CB -0.865 18.284 19.000 0.249 0.000 0.818 173 A HN 0.388 nan 8.150 nan 0.000 0.443 174 V N 0.443 120.445 119.914 0.146 0.000 2.515 174 V HA -0.198 3.922 4.120 0.000 0.000 0.250 174 V C 2.057 178.182 176.094 0.051 0.000 1.058 174 V CA 2.133 64.514 62.300 0.135 0.000 1.064 174 V CB -0.776 31.090 31.823 0.073 0.000 0.675 174 V HN 0.462 nan 8.190 nan 0.000 0.461 175 D N -0.850 119.554 120.400 0.006 0.000 2.144 175 D HA -0.177 4.463 4.640 0.000 0.000 0.199 175 D C 2.076 178.343 176.300 -0.056 0.000 0.984 175 D CA 1.467 55.452 54.000 -0.025 0.000 0.834 175 D CB -0.192 40.592 40.800 -0.028 0.000 0.955 175 D HN 0.577 nan 8.370 nan 0.000 0.465 176 H N -1.015 117.912 119.070 -0.239 0.000 2.363 176 H HA -0.025 4.531 4.556 0.000 0.000 0.301 176 H C 1.387 176.459 175.328 -0.426 0.000 1.074 176 H CA 1.385 57.174 56.048 -0.431 0.000 1.354 176 H CB -0.171 29.147 29.762 -0.739 0.000 1.397 176 H HN 0.047 nan 8.280 nan 0.000 0.516 177 F N -0.894 118.962 119.950 -0.156 0.000 2.714 177 F HA 0.212 4.739 4.527 0.000 0.000 0.294 177 F C 0.536 176.281 175.800 -0.091 0.000 1.120 177 F CA 0.117 58.008 58.000 -0.182 0.000 1.398 177 F CB 0.770 39.727 39.000 -0.071 0.000 1.120 177 F HN -0.084 nan 8.300 nan 0.000 0.589 178 V N 2.162 122.131 119.914 0.092 0.000 2.384 178 V HA 0.286 4.406 4.120 0.000 0.000 0.257 178 V C -2.357 173.729 176.094 -0.014 0.000 0.969 178 V CA -1.666 60.661 62.300 0.044 0.000 0.910 178 V CB -0.015 31.841 31.823 0.055 0.000 1.150 178 V HN -0.160 nan 8.190 nan 0.000 0.481 179 P HA 0.239 nan 4.420 nan 0.000 0.274 179 P C 0.433 177.707 177.300 -0.043 0.000 1.256 179 P CA -0.144 62.922 63.100 -0.058 0.000 0.795 179 P CB 1.223 32.873 31.700 -0.084 0.000 1.038 180 D N 0.573 120.948 120.400 -0.041 0.000 2.172 180 D HA -0.189 4.451 4.640 0.000 0.000 0.196 180 D C 1.911 178.190 176.300 -0.034 0.000 0.999 180 D CA 2.096 56.075 54.000 -0.035 0.000 0.856 180 D CB -0.831 39.950 40.800 -0.032 0.000 0.934 180 D HN 0.417 nan 8.370 nan 0.000 0.453 181 A N 0.447 123.243 122.820 -0.041 0.000 2.019 181 A HA -0.126 4.194 4.320 0.000 0.000 0.219 181 A C 1.980 179.538 177.584 -0.043 0.000 1.164 181 A CA 0.914 52.926 52.037 -0.042 0.000 0.644 181 A CB -0.368 18.602 19.000 -0.051 0.000 0.805 181 A HN 0.094 nan 8.150 nan 0.000 0.449 182 M N -1.219 118.357 119.600 -0.041 0.000 2.632 182 M HA 0.045 4.525 4.480 0.000 0.000 0.256 182 M C 0.542 176.831 176.300 -0.019 0.000 1.080 182 M CA 0.938 56.217 55.300 -0.035 0.000 1.084 182 M CB -0.637 31.954 32.600 -0.015 0.000 1.439 182 M HN 0.277 nan 8.290 nan 0.000 0.509 183 L N -1.701 119.512 121.223 -0.016 0.000 3.069 183 L HA 0.317 4.657 4.340 0.000 0.000 0.271 183 L C 1.568 178.436 176.870 -0.004 0.000 1.201 183 L CA 0.152 54.989 54.840 -0.005 0.000 1.015 183 L CB -0.145 41.906 42.059 -0.014 0.000 1.371 183 L HN 0.133 nan 8.230 nan 0.000 0.574 184 G N -0.507 108.287 108.800 -0.009 0.000 2.558 184 G HA2 0.269 4.229 3.960 0.000 0.000 0.218 184 G HA3 0.269 4.229 3.960 0.000 0.000 0.218 184 G C 0.409 175.317 174.900 0.014 0.000 1.567 184 G CA 0.395 45.491 45.100 -0.007 0.000 0.950 184 G HN 0.341 nan 8.290 nan 0.000 0.517 185 A N -0.461 122.361 122.820 0.004 0.000 2.524 185 A HA 0.330 4.650 4.320 0.000 0.000 0.250 185 A C -0.540 177.077 177.584 0.055 0.000 1.078 185 A CA -0.242 51.805 52.037 0.016 0.000 0.761 185 A CB -0.313 18.675 19.000 -0.021 0.000 1.012 185 A HN 0.495 nan 8.150 nan 0.000 0.500 186 Y N 3.335 123.597 120.300 -0.064 0.000 2.570 186 Y HA 0.426 4.976 4.550 0.000 0.000 0.336 186 Y C 0.484 176.344 175.900 -0.068 0.000 1.284 186 Y CA 0.730 58.791 58.100 -0.066 0.000 1.761 186 Y CB -0.234 38.187 38.460 -0.066 0.000 1.724 186 Y HN 0.676 nan 8.280 nan 0.000 0.455 187 T N 1.652 116.066 114.554 -0.233 0.000 2.802 187 T HA 0.524 4.874 4.350 0.000 0.000 0.311 187 T C 0.336 174.883 174.700 -0.254 0.000 1.405 187 T CA 0.015 61.972 62.100 -0.237 0.000 1.016 187 T CB 0.941 69.731 68.868 -0.129 0.000 1.352 187 T HN 0.784 nan 8.240 nan 0.000 0.498 188 G N 1.919 110.576 108.800 -0.239 0.000 2.646 188 G HA2 -0.363 3.597 3.960 0.000 0.000 0.324 188 G HA3 -0.363 3.597 3.960 0.000 0.000 0.324 188 G C 1.191 175.915 174.900 -0.294 0.000 1.195 188 G CA 1.869 46.821 45.100 -0.248 0.000 0.976 188 G HN 1.675 nan 8.290 nan 0.000 0.546 189 T N -2.501 111.813 114.554 -0.400 0.000 3.129 189 T HA 0.515 4.865 4.350 0.000 0.000 0.251 189 T C 1.264 175.797 174.700 -0.279 0.000 1.117 189 T CA 1.543 63.330 62.100 -0.522 0.000 1.034 189 T CB 0.389 68.482 68.868 -1.291 0.000 0.968 189 T HN 1.337 nan 8.240 nan 0.000 0.526 190 S N 2.042 117.607 115.700 -0.225 0.000 2.256 190 S HA 0.459 4.929 4.470 0.000 0.000 0.210 190 S C 0.048 174.536 174.600 -0.187 0.000 1.329 190 S CA -0.545 57.586 58.200 -0.116 0.000 1.267 190 S CB -0.479 62.674 63.200 -0.078 0.000 1.086 190 S HN 0.759 nan 8.310 nan 0.000 0.468 191 T N -1.932 112.468 114.554 -0.257 0.000 2.865 191 T HA 0.830 5.180 4.350 0.000 0.000 0.294 191 T C 0.885 175.552 174.700 -0.056 0.000 1.119 191 T CA 0.037 61.847 62.100 -0.483 0.000 1.007 191 T CB 0.929 69.315 68.868 -0.803 0.000 1.225 191 T HN 1.051 nan 8.240 nan 0.000 0.515 192 G N 1.151 110.016 108.800 0.110 0.000 2.596 192 G HA2 -0.047 3.913 3.960 0.000 0.000 0.295 192 G HA3 -0.047 3.913 3.960 0.000 0.000 0.295 192 G C 1.241 176.245 174.900 0.174 0.000 1.240 192 G CA 1.086 46.285 45.100 0.164 0.000 0.985 192 G HN 1.877 nan 8.290 nan 0.000 0.555 193 A N -0.553 122.364 122.820 0.161 0.000 2.015 193 A HA -0.013 4.307 4.320 0.000 0.000 0.219 193 A C 2.203 179.880 177.584 0.156 0.000 1.163 193 A CA 2.323 54.450 52.037 0.149 0.000 0.646 193 A CB -0.477 18.605 19.000 0.138 0.000 0.806 193 A HN 0.638 nan 8.150 nan 0.000 0.448 194 N N -0.135 118.672 118.700 0.178 0.000 2.084 194 N HA -0.161 4.579 4.740 0.000 0.000 0.190 194 N C 1.837 177.437 175.510 0.151 0.000 1.030 194 N CA 1.547 54.729 53.050 0.220 0.000 0.849 194 N CB -0.418 38.247 38.487 0.296 0.000 1.012 194 N HN 0.501 nan 8.380 nan 0.000 0.423 195 R N 1.210 121.790 120.500 0.134 0.000 2.083 195 R HA -0.032 4.308 4.340 0.000 0.000 0.237 195 R C 1.948 178.305 176.300 0.095 0.000 1.137 195 R CA 1.072 57.249 56.100 0.129 0.000 0.951 195 R CB -0.809 29.626 30.300 0.225 0.000 0.851 195 R HN 0.013 nan 8.270 nan 0.000 0.434 196 V N 1.137 121.113 119.914 0.102 0.000 2.392 196 V HA -0.249 3.871 4.120 0.000 0.000 0.249 196 V C 1.715 177.838 176.094 0.049 0.000 1.059 196 V CA 2.267 64.615 62.300 0.080 0.000 1.051 196 V CB -0.536 31.341 31.823 0.090 0.000 0.658 196 V HN 0.376 nan 8.190 nan 0.000 0.455 197 D N -0.334 120.091 120.400 0.042 0.000 2.162 197 D HA -0.005 4.635 4.640 0.000 0.000 0.203 197 D C 2.198 178.470 176.300 -0.047 0.000 0.967 197 D CA 0.759 54.753 54.000 -0.010 0.000 0.840 197 D CB -0.021 40.762 40.800 -0.029 0.000 0.972 197 D HN 0.332 nan 8.370 nan 0.000 0.482 198 L N 0.438 121.654 121.223 -0.011 0.000 1.990 198 L HA -0.246 4.094 4.340 0.000 0.000 0.213 198 L C 2.762 179.612 176.870 -0.033 0.000 1.072 198 L CA 1.063 55.896 54.840 -0.013 0.000 0.755 198 L CB -0.572 41.505 42.059 0.030 0.000 0.889 198 L HN 0.130 nan 8.230 nan 0.000 0.432 199 C N -0.655 118.634 119.300 -0.018 0.000 2.398 199 C HA -0.218 4.242 4.460 0.000 0.000 0.276 199 C C 3.041 177.985 174.990 -0.076 0.000 1.222 199 C CA 1.221 60.220 59.018 -0.032 0.000 1.746 199 C CB -1.034 26.708 27.740 0.004 0.000 2.039 199 C HN 0.496 nan 8.230 nan 0.000 0.470 200 R N 0.828 121.282 120.500 -0.076 0.000 2.094 200 R HA -0.166 4.174 4.340 0.000 0.000 0.239 200 R C 2.204 178.375 176.300 -0.214 0.000 1.137 200 R CA 2.277 58.286 56.100 -0.151 0.000 0.943 200 R CB -0.509 29.738 30.300 -0.089 0.000 0.850 200 R HN 0.433 nan 8.270 nan 0.000 0.433 201 S N -0.317 115.287 115.700 -0.160 0.000 2.402 201 S HA -0.065 4.405 4.470 0.000 0.000 0.229 201 S C 1.808 176.315 174.600 -0.155 0.000 1.021 201 S CA 1.169 59.269 58.200 -0.166 0.000 0.974 201 S CB 0.064 63.189 63.200 -0.125 0.000 0.800 201 S HN 0.210 nan 8.310 nan 0.000 0.484 202 V N 1.647 121.484 119.914 -0.128 0.000 2.379 202 V HA -0.094 4.026 4.120 0.000 0.000 0.245 202 V C 2.596 178.592 176.094 -0.165 0.000 1.044 202 V CA 1.464 63.694 62.300 -0.117 0.000 1.036 202 V CB -1.121 30.652 31.823 -0.083 0.000 0.664 202 V HN 0.505 nan 8.190 nan 0.000 0.453 203 A N -0.026 122.678 122.820 -0.193 0.000 1.892 203 A HA -0.242 4.078 4.320 0.000 0.000 0.218 203 A C 2.208 179.608 177.584 -0.306 0.000 1.188 203 A CA 2.158 54.045 52.037 -0.250 0.000 0.631 203 A CB -0.665 18.190 19.000 -0.242 0.000 0.822 203 A HN 0.498 nan 8.150 nan 0.000 0.447 204 L N -0.976 120.029 121.223 -0.363 0.000 2.141 204 L HA -0.143 4.197 4.340 0.000 0.000 0.209 204 L C 2.805 179.537 176.870 -0.229 0.000 1.094 204 L CA 1.331 55.937 54.840 -0.391 0.000 0.763 204 L CB -0.411 41.347 42.059 -0.502 0.000 0.908 204 L HN 0.432 nan 8.230 nan 0.000 0.437 205 R N 0.606 121.000 120.500 -0.177 0.000 2.115 205 R HA -0.100 4.240 4.340 0.000 0.000 0.230 205 R C 1.962 178.192 176.300 -0.116 0.000 1.111 205 R CA 1.520 57.553 56.100 -0.112 0.000 0.976 205 R CB -0.473 29.776 30.300 -0.085 0.000 0.870 205 R HN 0.364 nan 8.270 nan 0.000 0.445 206 G N 0.251 108.956 108.800 -0.157 0.000 2.394 206 G HA2 -0.121 3.839 3.960 0.000 0.000 0.215 206 G HA3 -0.121 3.839 3.960 0.000 0.000 0.215 206 G C 1.534 176.355 174.900 -0.131 0.000 1.165 206 G CA 0.575 45.574 45.100 -0.169 0.000 0.784 206 G HN 0.178 nan 8.290 nan 0.000 0.535 207 V N 1.059 120.888 119.914 -0.142 0.000 2.261 207 V HA -0.127 3.993 4.120 0.000 0.000 0.246 207 V C 2.871 178.955 176.094 -0.017 0.000 1.047 207 V CA 1.550 63.833 62.300 -0.028 0.000 1.015 207 V CB -0.443 31.312 31.823 -0.114 0.000 0.642 207 V HN 0.316 nan 8.190 nan 0.000 0.446 208 L N 0.141 121.335 121.223 -0.047 0.000 2.179 208 L HA 0.080 4.420 4.340 0.000 0.000 0.208 208 L C 2.251 179.162 176.870 0.069 0.000 1.096 208 L CA 1.327 56.194 54.840 0.045 0.000 0.779 208 L CB -0.695 41.414 42.059 0.083 0.000 0.922 208 L HN 0.476 nan 8.230 nan 0.000 0.443 209 G N -0.830 107.950 108.800 -0.033 0.000 3.141 209 G HA2 0.054 4.014 3.960 0.000 0.000 0.218 209 G HA3 0.054 4.014 3.960 0.000 0.000 0.218 209 G C 0.480 175.271 174.900 -0.182 0.000 1.170 209 G CA -0.465 44.595 45.100 -0.066 0.000 0.769 209 G HN 0.279 nan 8.290 nan 0.000 0.546 210 R N -0.988 119.309 120.500 -0.339 0.000 3.188 210 R HA -0.182 4.158 4.340 0.000 0.000 0.247 210 R C 0.101 176.090 176.300 -0.519 0.000 0.918 210 R CA 0.420 56.010 56.100 -0.849 0.000 0.629 210 R CB -1.915 27.922 30.300 -0.772 0.000 1.087 210 R HN 0.444 nan 8.270 nan 0.000 0.462 211 A N 0.876 123.544 122.820 -0.254 0.000 2.586 211 A HA 0.460 4.780 4.320 0.000 0.000 0.320 211 A C -1.288 176.285 177.584 -0.018 0.000 1.281 211 A CA -1.327 50.653 52.037 -0.095 0.000 0.775 211 A CB 0.787 19.734 19.000 -0.089 0.000 1.122 211 A HN 0.083 nan 8.150 nan 0.000 0.470 212 P HA -0.160 nan 4.420 nan 0.000 0.220 212 P C 1.384 178.751 177.300 0.112 0.000 1.148 212 P CA 1.684 64.916 63.100 0.220 0.000 0.803 212 P CB 0.307 32.335 31.700 0.547 0.000 0.782 213 A N 0.398 123.263 122.820 0.076 0.000 1.968 213 A HA -0.114 4.206 4.320 0.000 0.000 0.217 213 A C 2.235 179.806 177.584 -0.021 0.000 1.169 213 A CA 1.183 53.250 52.037 0.051 0.000 0.638 213 A CB -0.723 18.299 19.000 0.037 0.000 0.812 213 A HN 0.005 nan 8.150 nan 0.000 0.446 214 K N 0.256 120.614 120.400 -0.071 0.000 2.026 214 K HA -0.063 4.257 4.320 0.000 0.000 0.208 214 K C 1.820 178.316 176.600 -0.174 0.000 1.048 214 K CA 1.495 57.716 56.287 -0.110 0.000 0.929 214 K CB -0.648 31.781 32.500 -0.119 0.000 0.713 214 K HN 0.627 nan 8.250 nan 0.000 0.439 215 I N 0.885 121.260 120.570 -0.325 0.000 2.252 215 I HA -0.222 3.948 4.170 0.000 0.000 0.245 215 I C 2.482 178.430 176.117 -0.282 0.000 1.102 215 I CA 1.073 62.075 61.300 -0.496 0.000 1.385 215 I CB -0.532 36.773 38.000 -1.159 0.000 1.064 215 I HN 0.019 nan 8.210 nan 0.000 0.414 216 A N 1.071 123.821 122.820 -0.116 0.000 1.902 216 A HA -0.207 4.113 4.320 0.000 0.000 0.217 216 A C 2.280 179.894 177.584 0.049 0.000 1.181 216 A CA 1.493 53.617 52.037 0.145 0.000 0.623 216 A CB -0.749 18.391 19.000 0.233 0.000 0.818 216 A HN 0.371 nan 8.150 nan 0.000 0.443 217 L N -0.244 120.977 121.223 -0.004 0.000 2.017 217 L HA -0.045 4.295 4.340 0.000 0.000 0.208 217 L C 2.704 179.558 176.870 -0.026 0.000 1.073 217 L CA 2.221 57.052 54.840 -0.015 0.000 0.745 217 L CB -0.816 41.226 42.059 -0.027 0.000 0.894 217 L HN 0.338 nan 8.230 nan 0.000 0.432 218 A N -0.339 122.452 122.820 -0.049 0.000 1.933 218 A HA -0.247 4.073 4.320 0.000 0.000 0.218 218 A C 2.538 180.117 177.584 -0.008 0.000 1.175 218 A CA 1.804 53.814 52.037 -0.045 0.000 0.628 218 A CB -0.690 18.260 19.000 -0.084 0.000 0.814 218 A HN 0.535 nan 8.150 nan 0.000 0.444 219 R N -0.254 120.254 120.500 0.013 0.000 2.070 219 R HA -0.183 4.157 4.340 0.000 0.000 0.232 219 R C 1.433 177.755 176.300 0.037 0.000 1.138 219 R CA 2.046 58.185 56.100 0.064 0.000 0.936 219 R CB -0.545 29.823 30.300 0.114 0.000 0.839 219 R HN 0.404 nan 8.270 nan 0.000 0.429 220 D N 0.529 120.939 120.400 0.017 0.000 2.149 220 D HA -0.125 4.515 4.640 0.000 0.000 0.198 220 D C 1.563 177.816 176.300 -0.078 0.000 0.990 220 D CA 1.570 55.558 54.000 -0.019 0.000 0.839 220 D CB -0.266 40.530 40.800 -0.008 0.000 0.948 220 D HN 0.434 nan 8.370 nan 0.000 0.460 221 A N 0.023 122.804 122.820 -0.065 0.000 2.248 221 A HA -0.000 4.320 4.320 0.000 0.000 0.210 221 A C 2.094 179.588 177.584 -0.150 0.000 1.174 221 A CA 0.357 52.342 52.037 -0.088 0.000 0.750 221 A CB -0.530 18.445 19.000 -0.042 0.000 0.780 221 A HN 0.216 nan 8.150 nan 0.000 0.478 222 L N -1.353 119.757 121.223 -0.189 0.000 2.375 222 L HA -0.030 4.310 4.340 0.000 0.000 0.215 222 L C 2.534 178.867 176.870 -0.895 0.000 1.108 222 L CA 0.630 55.270 54.840 -0.332 0.000 0.830 222 L CB -0.154 41.871 42.059 -0.056 0.000 0.959 222 L HN 0.297 nan 8.230 nan 0.000 0.457 223 S N 0.716 115.988 115.700 -0.713 0.000 2.370 223 S HA -0.076 4.394 4.470 0.000 0.000 0.226 223 S C -0.746 173.400 174.600 -0.757 0.000 1.033 223 S CA 1.407 59.108 58.200 -0.832 0.000 1.011 223 S CB -0.983 62.041 63.200 -0.293 0.000 0.852 223 S HN 0.349 nan 8.310 nan 0.000 0.457 224 P HA 0.117 nan 4.420 nan 0.000 0.242 224 P C 0.987 177.755 177.300 -0.886 0.000 1.197 224 P CA 0.464 63.096 63.100 -0.780 0.000 0.765 224 P CB -0.145 30.937 31.700 -1.029 0.000 0.936 225 V N -1.332 118.164 119.914 -0.697 0.000 2.871 225 V HA -0.128 3.992 4.120 0.000 0.000 0.256 225 V C 2.004 178.117 176.094 0.031 0.000 1.082 225 V CA 1.318 63.474 62.300 -0.241 0.000 1.105 225 V CB -1.217 30.553 31.823 -0.087 0.000 0.713 225 V HN -0.043 nan 8.190 nan 0.000 0.473 226 F N 0.062 119.978 119.950 -0.057 0.000 2.128 226 F HA 0.152 4.679 4.527 0.000 0.000 0.295 226 F C -0.806 174.929 175.800 -0.108 0.000 1.100 226 F CA -1.341 56.637 58.000 -0.036 0.000 1.260 226 F CB -2.432 36.554 39.000 -0.023 0.000 1.009 226 F HN 0.232 nan 8.300 nan 0.000 0.476 227 P HA -0.075 nan 4.420 nan 0.000 0.267 227 P C -0.688 176.606 177.300 -0.009 0.000 1.200 227 P CA 0.034 63.100 63.100 -0.056 0.000 0.772 227 P CB 0.093 31.773 31.700 -0.034 0.000 0.855 228 Y N 0.452 120.783 120.300 0.051 0.000 2.652 228 Y HA 0.118 4.668 4.550 0.000 0.000 0.344 228 Y C 1.278 177.115 175.900 -0.106 0.000 1.254 228 Y CA -0.366 57.730 58.100 -0.008 0.000 1.480 228 Y CB -0.392 38.076 38.460 0.013 0.000 1.345 228 Y HN 0.119 nan 8.280 nan 0.000 0.617 229 V N -0.551 119.297 119.914 -0.110 0.000 2.973 229 V HA 0.642 4.762 4.120 0.000 0.000 0.314 229 V C 0.431 176.240 176.094 -0.474 0.000 1.066 229 V CA -0.123 62.001 62.300 -0.294 0.000 1.021 229 V CB 1.523 33.118 31.823 -0.380 0.000 1.076 229 V HN 0.892 nan 8.190 nan 0.000 0.462 230 T N -2.039 112.378 114.554 -0.229 0.000 3.043 230 T HA 0.363 4.713 4.350 0.000 0.000 0.272 230 T C 0.150 174.944 174.700 0.157 0.000 0.990 230 T CA 0.165 62.256 62.100 -0.015 0.000 0.897 230 T CB -0.365 68.549 68.868 0.077 0.000 1.111 230 T HN 1.087 nan 8.240 nan 0.000 0.529 231 K N -0.085 120.345 120.400 0.051 0.000 2.579 231 K HA 0.601 4.921 4.320 0.000 0.000 0.284 231 K C 0.298 176.923 176.600 0.041 0.000 0.990 231 K CA -0.471 55.908 56.287 0.153 0.000 0.880 231 K CB 1.114 33.672 32.500 0.097 0.000 1.488 231 K HN 0.407 nan 8.250 nan 0.000 0.425 232 G N 1.281 110.091 108.800 0.016 0.000 2.645 232 G HA2 -0.218 3.743 3.960 0.000 0.000 0.246 232 G HA3 -0.218 3.743 3.960 0.000 0.000 0.246 232 G C -1.131 173.727 174.900 -0.070 0.000 1.322 232 G CA 0.207 45.229 45.100 -0.130 0.000 0.898 232 G HN 0.788 nan 8.290 nan 0.000 0.573 233 D N 1.706 122.020 120.400 -0.145 0.000 2.443 233 D HA 0.528 5.168 4.640 0.000 0.000 0.239 233 D C 0.993 177.158 176.300 -0.224 0.000 1.136 233 D CA 2.132 56.023 54.000 -0.182 0.000 0.879 233 D CB 0.766 41.470 40.800 -0.161 0.000 1.195 233 D HN 1.799 nan 8.370 nan 0.000 0.443 234 G N 0.049 108.602 108.800 -0.411 0.000 2.315 234 G HA2 0.126 4.086 3.960 0.000 0.000 0.296 234 G HA3 0.126 4.086 3.960 0.000 0.000 0.296 234 G C -1.800 172.891 174.900 -0.348 0.000 1.289 234 G CA -0.912 43.958 45.100 -0.385 0.000 0.996 234 G HN 0.489 nan 8.290 nan 0.000 0.487 235 L N 0.342 121.603 121.223 0.064 0.000 2.307 235 L HA 0.849 5.189 4.340 0.000 0.000 0.284 235 L C -0.767 176.216 176.870 0.189 0.000 1.023 235 L CA -1.009 54.056 54.840 0.375 0.000 0.810 235 L CB 0.885 43.291 42.059 0.578 0.000 1.231 235 L HN 0.594 nan 8.230 nan 0.000 0.423 236 Y N 3.012 123.369 120.300 0.096 0.000 2.453 236 Y HA 0.514 5.064 4.550 0.000 0.000 0.326 236 Y C 1.389 177.024 175.900 -0.442 0.000 1.186 236 Y CA -0.094 57.968 58.100 -0.063 0.000 1.200 236 Y CB 1.791 40.228 38.460 -0.038 0.000 1.247 236 Y HN 0.753 nan 8.280 nan 0.000 0.482 237 A N 0.558 123.029 122.820 -0.581 0.000 2.032 237 A HA -0.237 4.083 4.320 0.000 0.000 0.221 237 A C 1.469 178.895 177.584 -0.263 0.000 1.165 237 A CA 2.155 53.610 52.037 -0.970 0.000 0.645 237 A CB -0.716 18.064 19.000 -0.367 0.000 0.807 237 A HN 0.857 nan 8.150 nan 0.000 0.453 238 D N -2.819 117.574 120.400 -0.011 0.000 2.328 238 D HA 0.313 4.953 4.640 0.000 0.000 0.221 238 D C 1.102 177.460 176.300 0.097 0.000 1.072 238 D CA 0.930 54.998 54.000 0.112 0.000 0.850 238 D CB -0.364 40.464 40.800 0.046 0.000 0.922 238 D HN 0.755 nan 8.370 nan 0.000 0.516 239 G N -0.496 108.368 108.800 0.107 0.000 2.194 239 G HA2 -0.254 3.706 3.960 0.000 0.000 0.236 239 G HA3 -0.254 3.706 3.960 0.000 0.000 0.236 239 G C 0.368 175.265 174.900 -0.005 0.000 0.987 239 G CA 0.102 45.231 45.100 0.048 0.000 0.635 239 G HN 0.405 nan 8.290 nan 0.000 0.520 240 S N 0.002 115.761 115.700 0.097 0.000 2.572 240 S HA 0.570 5.040 4.470 0.000 0.000 0.279 240 S C -0.538 174.153 174.600 0.152 0.000 1.341 240 S CA 0.248 58.423 58.200 -0.042 0.000 1.043 240 S CB 1.220 64.333 63.200 -0.144 0.000 0.887 240 S HN 0.702 nan 8.310 nan 0.000 0.516 241 F N 2.273 122.184 119.950 -0.065 0.000 2.536 241 F HA 0.544 5.071 4.527 0.000 0.000 0.322 241 F C -0.886 174.979 175.800 0.109 0.000 1.144 241 F CA -0.614 57.436 58.000 0.083 0.000 0.924 241 F CB 1.019 40.055 39.000 0.060 0.000 1.181 241 F HN 0.287 nan 8.300 nan 0.000 0.438 242 V N 5.580 125.359 119.914 -0.225 0.000 2.628 242 V HA 0.597 4.717 4.120 0.000 0.000 0.306 242 V C -0.729 175.229 176.094 -0.226 0.000 1.045 242 V CA -0.598 61.649 62.300 -0.088 0.000 0.905 242 V CB 1.813 33.658 31.823 0.036 0.000 0.997 242 V HN 0.629 nan 8.190 nan 0.000 0.436 243 Q N 0.685 120.478 119.800 -0.011 0.000 2.495 243 Q HA 0.484 4.824 4.340 0.000 0.000 0.287 243 Q C -0.160 175.880 176.000 0.066 0.000 1.078 243 Q CA -0.829 54.929 55.803 -0.074 0.000 0.793 243 Q CB 1.563 30.155 28.738 -0.242 0.000 1.459 243 Q HN 0.935 nan 8.270 nan 0.000 0.422 244 H N 0.475 119.557 119.070 0.019 0.000 2.741 244 H HA -0.248 4.308 4.556 0.000 0.000 0.305 244 H C 0.033 175.292 175.328 -0.114 0.000 1.169 244 H CA 0.313 56.374 56.048 0.021 0.000 1.144 244 H CB -1.222 28.674 29.762 0.223 0.000 1.397 244 H HN 0.889 nan 8.280 nan 0.000 0.409 245 T N -4.481 109.964 114.554 -0.181 0.000 12.057 245 T HA -0.345 4.005 4.350 0.000 0.000 0.412 245 T C 0.841 175.219 174.700 -0.535 0.000 1.495 245 T CA 2.142 63.871 62.100 -0.618 0.000 2.454 245 T CB -1.260 66.876 68.868 -1.219 0.000 2.808 245 T HN 0.727 nan 8.240 nan 0.000 0.847 246 W N 0.806 122.175 121.300 0.116 0.000 2.304 246 W HA 0.617 5.277 4.660 0.000 0.000 0.326 246 W C -0.525 176.024 176.519 0.051 0.000 0.920 246 W CA -0.521 56.868 57.345 0.074 0.000 1.518 246 W CB 0.945 30.446 29.460 0.069 0.000 1.112 246 W HN 0.106 nan 8.180 nan 0.000 0.528 247 V N 1.791 121.853 119.914 0.246 0.000 2.417 247 V HA 0.654 4.774 4.120 0.000 0.000 0.291 247 V C 0.512 176.606 176.094 0.001 0.000 1.024 247 V CA -1.356 61.009 62.300 0.109 0.000 0.861 247 V CB 0.938 32.832 31.823 0.118 0.000 0.985 247 V HN 0.046 nan 8.190 nan 0.000 0.436 248 A N 4.102 126.871 122.820 -0.085 0.000 2.515 248 A HA 0.356 4.676 4.320 0.000 0.000 0.263 248 A C -0.150 177.331 177.584 -0.172 0.000 1.096 248 A CA 0.538 52.521 52.037 -0.091 0.000 0.769 248 A CB -0.488 18.457 19.000 -0.092 0.000 1.040 248 A HN 0.960 nan 8.150 nan 0.000 0.505 249 Y N 1.664 121.990 120.300 0.043 0.000 2.779 249 Y HA 0.044 4.594 4.550 0.000 0.000 0.251 249 Y C 1.821 177.820 175.900 0.165 0.000 1.145 249 Y CA 0.109 58.256 58.100 0.078 0.000 1.201 249 Y CB 0.789 39.280 38.460 0.051 0.000 1.281 249 Y HN 0.750 nan 8.280 nan 0.000 0.563 250 S N -0.350 115.501 115.700 0.252 0.000 2.383 250 S HA -0.209 4.261 4.470 0.000 0.000 0.229 250 S C 2.238 176.894 174.600 0.094 0.000 1.030 250 S CA 1.525 59.842 58.200 0.196 0.000 1.002 250 S CB -0.422 62.777 63.200 -0.002 0.000 0.829 250 S HN 0.718 nan 8.310 nan 0.000 0.467 251 G N 1.257 110.083 108.800 0.042 0.000 2.421 251 G HA2 -0.128 3.832 3.960 0.000 0.000 0.217 251 G HA3 -0.128 3.832 3.960 0.000 0.000 0.217 251 G C 1.563 176.421 174.900 -0.069 0.000 1.143 251 G CA 1.537 46.616 45.100 -0.035 0.000 0.784 251 G HN 0.649 nan 8.290 nan 0.000 0.541 252 T N -2.650 111.890 114.554 -0.024 0.000 3.085 252 T HA 0.451 4.801 4.350 0.000 0.000 0.241 252 T C 2.478 177.116 174.700 -0.104 0.000 0.988 252 T CA 1.142 63.190 62.100 -0.088 0.000 1.117 252 T CB -0.074 68.716 68.868 -0.130 0.000 0.978 252 T HN 0.215 nan 8.240 nan 0.000 0.454 253 A N 1.409 124.194 122.820 -0.059 0.000 2.067 253 A HA 0.478 4.798 4.320 0.000 0.000 0.217 253 A C 2.454 179.949 177.584 -0.148 0.000 1.156 253 A CA 1.138 53.145 52.037 -0.051 0.000 0.683 253 A CB -1.288 17.734 19.000 0.036 0.000 0.808 253 A HN 0.586 nan 8.150 nan 0.000 0.455 254 G N -0.691 107.929 108.800 -0.300 0.000 2.408 254 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 254 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 254 G C 1.591 176.100 174.900 -0.653 0.000 1.150 254 G CA 0.991 45.679 45.100 -0.687 0.000 0.776 254 G HN 0.489 nan 8.290 nan 0.000 0.542 255 Q N 0.838 120.386 119.800 -0.419 0.000 2.084 255 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 255 Q C 2.648 178.497 176.000 -0.252 0.000 0.978 255 Q CA 1.639 57.240 55.803 -0.337 0.000 0.844 255 Q CB -0.475 28.137 28.738 -0.209 0.000 0.898 255 Q HN 0.328 nan 8.270 nan 0.000 0.426 256 V N 1.247 121.050 119.914 -0.186 0.000 2.332 256 V HA -0.286 3.834 4.120 0.000 0.000 0.248 256 V C 2.619 178.647 176.094 -0.110 0.000 1.055 256 V CA 1.832 64.069 62.300 -0.106 0.000 1.038 256 V CB -0.584 31.212 31.823 -0.045 0.000 0.651 256 V HN 0.351 nan 8.190 nan 0.000 0.450 257 M N -0.901 118.595 119.600 -0.174 0.000 2.123 257 M HA -0.026 4.454 4.480 0.000 0.000 0.263 257 M C 2.232 178.422 176.300 -0.184 0.000 1.069 257 M CA 1.687 56.911 55.300 -0.125 0.000 1.133 257 M CB -1.030 31.505 32.600 -0.109 0.000 1.356 257 M HN 0.271 nan 8.290 nan 0.000 0.415 258 L N -0.203 120.835 121.223 -0.308 0.000 2.046 258 L HA -0.242 4.098 4.340 0.000 0.000 0.208 258 L C 2.127 178.873 176.870 -0.207 0.000 1.077 258 L CA 1.633 56.295 54.840 -0.296 0.000 0.747 258 L CB -0.825 40.985 42.059 -0.414 0.000 0.896 258 L HN 0.306 nan 8.230 nan 0.000 0.432 259 D N -0.055 120.240 120.400 -0.176 0.000 2.084 259 D HA -0.150 4.490 4.640 0.000 0.000 0.194 259 D C 2.156 178.420 176.300 -0.059 0.000 0.990 259 D CA 1.438 55.373 54.000 -0.108 0.000 0.826 259 D CB -0.055 40.691 40.800 -0.091 0.000 0.971 259 D HN 0.203 nan 8.370 nan 0.000 0.453 260 G N 0.074 108.847 108.800 -0.045 0.000 2.418 260 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 260 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 260 G C 1.686 176.582 174.900 -0.006 0.000 1.158 260 G CA 0.549 45.652 45.100 0.005 0.000 0.771 260 G HN 0.309 nan 8.290 nan 0.000 0.545 261 L N 0.520 121.679 121.223 -0.108 0.000 2.131 261 L HA 0.111 4.451 4.340 0.000 0.000 0.206 261 L C 3.165 179.833 176.870 -0.338 0.000 1.087 261 L CA 0.802 55.472 54.840 -0.282 0.000 0.767 261 L CB -0.546 41.213 42.059 -0.499 0.000 0.917 261 L HN 0.316 nan 8.230 nan 0.000 0.441 262 G N -0.155 108.519 108.800 -0.210 0.000 2.421 262 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 262 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 262 G C 1.694 176.641 174.900 0.078 0.000 1.171 262 G CA 0.455 45.518 45.100 -0.061 0.000 0.775 262 G HN 0.229 nan 8.290 nan 0.000 0.543 263 R N -0.251 120.301 120.500 0.086 0.000 2.094 263 R HA -0.043 4.297 4.340 0.000 0.000 0.239 263 R C 2.647 179.150 176.300 0.338 0.000 1.137 263 R CA 1.444 57.664 56.100 0.201 0.000 0.943 263 R CB -0.519 29.927 30.300 0.243 0.000 0.850 263 R HN 0.341 nan 8.270 nan 0.000 0.433 264 L N -0.833 120.565 121.223 0.292 0.000 2.109 264 L HA -0.118 4.222 4.340 0.000 0.000 0.207 264 L C 2.232 179.355 176.870 0.422 0.000 1.086 264 L CA 0.772 55.805 54.840 0.321 0.000 0.760 264 L CB -0.355 41.865 42.059 0.269 0.000 0.910 264 L HN 0.093 nan 8.230 nan 0.000 0.437 265 F N 0.566 120.598 119.950 0.137 0.000 2.134 265 F HA -0.178 4.349 4.527 0.000 0.000 0.299 265 F C 2.740 178.601 175.800 0.103 0.000 1.097 265 F CA 1.384 59.450 58.000 0.110 0.000 1.264 265 F CB -1.353 37.701 39.000 0.090 0.000 1.001 265 F HN 0.012 nan 8.300 nan 0.000 0.479 266 T N 0.691 115.441 114.554 0.326 0.000 2.746 266 T HA -0.173 4.177 4.350 0.000 0.000 0.267 266 T C 2.080 176.901 174.700 0.203 0.000 1.039 266 T CA 1.218 63.447 62.100 0.214 0.000 1.142 266 T CB -0.631 68.338 68.868 0.168 0.000 0.866 266 T HN 0.126 nan 8.240 nan 0.000 0.444 267 L N 0.825 122.206 121.223 0.264 0.000 2.046 267 L HA 0.053 4.393 4.340 0.000 0.000 0.208 267 L C 1.965 178.945 176.870 0.183 0.000 1.077 267 L CA 1.736 56.737 54.840 0.269 0.000 0.747 267 L CB -0.495 41.775 42.059 0.352 0.000 0.896 267 L HN 0.247 nan 8.230 nan 0.000 0.432 268 L N -0.354 120.969 121.223 0.167 0.000 2.446 268 L HA 0.218 4.558 4.340 0.000 0.000 0.219 268 L C 1.272 178.198 176.870 0.094 0.000 1.116 268 L CA 0.074 54.998 54.840 0.139 0.000 0.844 268 L CB -0.668 41.474 42.059 0.137 0.000 0.970 268 L HN 0.247 nan 8.230 nan 0.000 0.457 269 A N 0.280 123.147 122.820 0.078 0.000 2.511 269 A HA 0.376 4.696 4.320 0.000 0.000 0.242 269 A C 1.450 179.045 177.584 0.018 0.000 1.069 269 A CA 0.731 52.784 52.037 0.028 0.000 0.763 269 A CB -0.183 18.835 19.000 0.030 0.000 1.001 269 A HN 0.554 nan 8.150 nan 0.000 0.498 270 G N 1.262 110.054 108.800 -0.014 0.000 2.234 270 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 270 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 270 G C 0.783 175.661 174.900 -0.036 0.000 0.987 270 G CA 1.192 46.276 45.100 -0.027 0.000 0.625 270 G HN 2.199 nan 8.290 nan 0.000 0.532 271 S N -0.065 115.627 115.700 -0.013 0.000 2.686 271 S HA 0.542 5.012 4.470 0.000 0.000 0.270 271 S C 1.339 175.848 174.600 -0.151 0.000 1.194 271 S CA 0.636 58.818 58.200 -0.031 0.000 0.990 271 S CB 1.548 64.817 63.200 0.115 0.000 1.029 271 S HN 0.915 nan 8.310 nan 0.000 0.560 272 E N -0.146 119.824 120.200 -0.384 0.000 2.418 272 E HA -0.052 4.298 4.350 0.000 0.000 0.197 272 E C 0.078 176.264 176.600 -0.689 0.000 1.026 272 E CA 0.456 56.457 56.400 -0.664 0.000 0.862 272 E CB -0.090 29.033 29.700 -0.962 0.000 0.799 272 E HN 0.823 nan 8.360 nan 0.000 0.518 273 W N 3.091 124.349 121.300 -0.071 0.000 2.926 273 W HA 0.199 4.859 4.660 0.000 0.000 0.419 273 W C -0.134 176.356 176.519 -0.048 0.000 0.993 273 W CA -0.630 56.683 57.345 -0.053 0.000 2.025 273 W CB -0.276 29.154 29.460 -0.051 0.000 1.152 273 W HN 0.165 nan 8.180 nan 0.000 0.659 274 E N 0.452 120.696 120.200 0.073 0.000 2.418 274 E HA 0.173 4.523 4.350 0.000 0.000 0.261 274 E C -0.060 176.533 176.600 -0.012 0.000 1.070 274 E CA -0.122 56.291 56.400 0.022 0.000 0.931 274 E CB 1.278 30.959 29.700 -0.031 0.000 0.954 274 E HN -0.225 nan 8.360 nan 0.000 0.439 275 V N 3.701 123.566 119.914 -0.081 0.000 2.446 275 V HA 0.039 4.159 4.120 0.000 0.000 0.276 275 V C 1.116 177.118 176.094 -0.154 0.000 1.030 275 V CA 0.822 63.045 62.300 -0.129 0.000 1.033 275 V CB 0.491 32.087 31.823 -0.378 0.000 0.993 275 V HN 0.986 nan 8.190 nan 0.000 0.477 276 T N -0.497 114.015 114.554 -0.071 0.000 2.986 276 T HA 0.087 4.437 4.350 0.000 0.000 0.264 276 T C 0.506 175.180 174.700 -0.043 0.000 0.964 276 T CA -0.302 61.754 62.100 -0.074 0.000 0.895 276 T CB 0.056 68.892 68.868 -0.053 0.000 1.163 276 T HN 0.532 nan 8.240 nan 0.000 0.517 277 D N 4.096 124.506 120.400 0.017 0.000 2.581 277 D HA 0.026 4.666 4.640 0.000 0.000 0.238 277 D C -1.374 174.933 176.300 0.010 0.000 1.145 277 D CA -1.217 52.825 54.000 0.071 0.000 0.866 277 D CB 1.521 42.464 40.800 0.239 0.000 1.151 277 D HN 0.111 nan 8.370 nan 0.000 0.500 278 P HA 0.018 nan 4.420 nan 0.000 0.233 278 P C 1.320 178.589 177.300 -0.052 0.000 1.167 278 P CA 0.491 63.566 63.100 -0.042 0.000 0.770 278 P CB 0.099 31.782 31.700 -0.028 0.000 0.837 279 G N 2.231 111.038 108.800 0.011 0.000 2.475 279 G HA2 -0.301 3.659 3.960 0.000 0.000 0.220 279 G HA3 -0.301 3.659 3.960 0.000 0.000 0.220 279 G C 1.640 176.383 174.900 -0.261 0.000 1.125 279 G CA 0.766 45.878 45.100 0.020 0.000 0.755 279 G HN 0.368 nan 8.290 nan 0.000 0.565 280 R N -0.029 120.137 120.500 -0.557 0.000 2.185 280 R HA -0.211 4.129 4.340 0.000 0.000 0.247 280 R C 2.183 178.302 176.300 -0.302 0.000 1.159 280 R CA 1.877 57.475 56.100 -0.837 0.000 0.988 280 R CB -0.499 29.385 30.300 -0.692 0.000 0.871 280 R HN 0.415 nan 8.270 nan 0.000 0.458 281 Q N 0.897 120.591 119.800 -0.178 0.000 2.291 281 Q HA -0.026 4.314 4.340 0.000 0.000 0.205 281 Q C 1.813 177.806 176.000 -0.012 0.000 0.970 281 Q CA 1.047 56.818 55.803 -0.054 0.000 0.876 281 Q CB -0.024 28.687 28.738 -0.046 0.000 0.935 281 Q HN 0.383 nan 8.270 nan 0.000 0.455 282 L N -1.076 120.097 121.223 -0.084 0.000 2.083 282 L HA -0.124 4.216 4.340 0.000 0.000 0.209 282 L C 2.186 179.091 176.870 0.057 0.000 1.083 282 L CA 1.077 55.873 54.840 -0.073 0.000 0.752 282 L CB -0.932 40.932 42.059 -0.324 0.000 0.899 282 L HN 0.098 nan 8.230 nan 0.000 0.433 283 V N -0.662 119.264 119.914 0.020 0.000 2.307 283 V HA -0.259 3.861 4.120 0.000 0.000 0.245 283 V C 2.367 178.543 176.094 0.138 0.000 1.045 283 V CA 1.560 63.904 62.300 0.074 0.000 1.024 283 V CB -0.424 31.386 31.823 -0.022 0.000 0.651 283 V HN 0.340 nan 8.190 nan 0.000 0.449 284 L N -0.356 120.984 121.223 0.196 0.000 2.093 284 L HA -0.123 4.217 4.340 0.000 0.000 0.208 284 L C 2.203 179.286 176.870 0.355 0.000 1.085 284 L CA 1.269 56.326 54.840 0.362 0.000 0.755 284 L CB -0.712 41.561 42.059 0.357 0.000 0.904 284 L HN 0.293 nan 8.230 nan 0.000 0.435 285 D N -0.382 120.164 120.400 0.242 0.000 2.264 285 D HA -0.127 4.513 4.640 0.000 0.000 0.208 285 D C 2.393 178.828 176.300 0.225 0.000 0.966 285 D CA 1.418 55.555 54.000 0.228 0.000 0.864 285 D CB 0.028 40.927 40.800 0.164 0.000 0.933 285 D HN 0.338 nan 8.370 nan 0.000 0.499 286 S N -0.241 115.584 115.700 0.208 0.000 2.423 286 S HA -0.097 4.373 4.470 0.000 0.000 0.231 286 S C 2.174 176.843 174.600 0.115 0.000 1.014 286 S CA 0.518 58.822 58.200 0.172 0.000 0.965 286 S CB -0.487 62.836 63.200 0.206 0.000 0.785 286 S HN 0.054 nan 8.310 nan 0.000 0.495 287 V N 2.252 122.170 119.914 0.007 0.000 2.231 287 V HA -0.248 3.872 4.120 0.000 0.000 0.250 287 V C 2.760 178.789 176.094 -0.109 0.000 1.058 287 V CA 2.567 64.728 62.300 -0.232 0.000 1.022 287 V CB -0.793 30.379 31.823 -1.086 0.000 0.640 287 V HN 0.599 nan 8.190 nan 0.000 0.445 288 E N -1.681 118.500 120.200 -0.032 0.000 2.250 288 E HA -0.114 4.236 4.350 0.000 0.000 0.192 288 E C 2.077 178.755 176.600 0.130 0.000 0.986 288 E CA 0.759 57.202 56.400 0.072 0.000 0.849 288 E CB 0.010 29.805 29.700 0.157 0.000 0.797 288 E HN 0.773 nan 8.360 nan 0.000 0.482 289 H N -0.358 118.741 119.070 0.049 0.000 2.465 289 H HA 0.218 4.774 4.556 0.000 0.000 0.289 289 H C 1.552 176.926 175.328 0.077 0.000 1.022 289 H CA 1.333 57.426 56.048 0.075 0.000 1.340 289 H CB 0.342 30.166 29.762 0.103 0.000 1.437 289 H HN 0.118 nan 8.280 nan 0.000 0.539 290 A N -0.916 121.824 122.820 -0.134 0.000 1.944 290 A HA 0.120 4.440 4.320 0.000 0.000 0.207 290 A C 1.380 178.614 177.584 -0.582 0.000 1.265 290 A CA 0.398 52.157 52.037 -0.464 0.000 0.712 290 A CB -0.346 18.141 19.000 -0.856 0.000 0.915 290 A HN 0.406 nan 8.150 nan 0.000 0.470 291 Y N -0.803 119.422 120.300 -0.125 0.000 2.422 291 Y HA 0.373 4.923 4.550 0.000 0.000 0.291 291 Y C 2.828 178.637 175.900 -0.152 0.000 1.144 291 Y CA 0.162 58.147 58.100 -0.191 0.000 1.208 291 Y CB -0.657 37.664 38.460 -0.231 0.000 1.195 291 Y HN 0.236 nan 8.280 nan 0.000 0.535 292 A N 1.085 123.956 122.820 0.085 0.000 1.917 292 A HA -0.163 4.157 4.320 0.000 0.000 0.219 292 A C -0.388 177.254 177.584 0.097 0.000 1.182 292 A CA 1.910 54.061 52.037 0.191 0.000 0.633 292 A CB -1.867 17.302 19.000 0.280 0.000 0.819 292 A HN 0.306 nan 8.150 nan 0.000 0.448 293 P HA -0.020 nan 4.420 nan 0.000 0.234 293 P C 0.735 178.004 177.300 -0.050 0.000 1.167 293 P CA 0.700 63.690 63.100 -0.183 0.000 0.763 293 P CB -0.054 31.226 31.700 -0.699 0.000 0.835 294 L N -1.662 119.524 121.223 -0.062 0.000 2.628 294 L HA 0.210 4.550 4.340 0.000 0.000 0.229 294 L C 0.711 177.478 176.870 -0.171 0.000 1.137 294 L CA -0.005 54.780 54.840 -0.092 0.000 0.909 294 L CB -0.045 41.934 42.059 -0.134 0.000 1.137 294 L HN -0.114 nan 8.230 nan 0.000 0.470 295 I N -0.737 119.705 120.570 -0.214 0.000 2.362 295 I HA 0.209 4.379 4.170 0.000 0.000 0.289 295 I C -0.603 175.350 176.117 -0.274 0.000 0.994 295 I CA -0.613 60.411 61.300 -0.460 0.000 1.158 295 I CB 1.271 38.621 38.000 -1.083 0.000 1.315 295 I HN -0.018 nan 8.210 nan 0.000 0.451 296 H N 5.952 124.760 119.070 -0.437 0.000 2.708 296 H HA 0.267 4.823 4.556 0.000 0.000 0.320 296 H C -0.616 174.558 175.328 -0.257 0.000 0.991 296 H CA -0.573 55.292 56.048 -0.304 0.000 1.243 296 H CB 0.690 30.138 29.762 -0.524 0.000 1.446 296 H HN 0.548 nan 8.280 nan 0.000 0.502 297 D N 4.264 124.431 120.400 -0.388 0.000 2.701 297 D HA -0.189 4.451 4.640 0.000 0.000 0.235 297 D C 1.285 177.510 176.300 -0.125 0.000 1.155 297 D CA 2.101 55.959 54.000 -0.236 0.000 0.649 297 D CB -1.289 39.226 40.800 -0.476 0.000 1.050 297 D HN 1.101 nan 8.370 nan 0.000 0.425 298 G N -1.820 106.834 108.800 -0.244 0.000 2.279 298 G HA2 -0.252 3.708 3.960 0.000 0.000 0.223 298 G HA3 -0.252 3.708 3.960 0.000 0.000 0.223 298 G C 0.265 174.932 174.900 -0.389 0.000 1.015 298 G CA 0.214 45.188 45.100 -0.209 0.000 0.621 298 G HN 0.784 nan 8.290 nan 0.000 0.506 299 L N 0.179 121.020 121.223 -0.636 0.000 2.375 299 L HA 0.920 5.260 4.340 0.000 0.000 0.271 299 L C 0.463 177.063 176.870 -0.450 0.000 1.107 299 L CA -1.230 53.194 54.840 -0.694 0.000 0.806 299 L CB 1.746 43.247 42.059 -0.930 0.000 1.146 299 L HN 0.371 nan 8.230 nan 0.000 0.447 300 V N 4.661 124.409 119.914 -0.278 0.000 2.483 300 V HA 0.465 4.585 4.120 0.000 0.000 0.295 300 V C 0.346 176.385 176.094 -0.093 0.000 1.035 300 V CA -0.745 61.427 62.300 -0.214 0.000 0.896 300 V CB 1.701 33.418 31.823 -0.177 0.000 0.986 300 V HN 0.918 nan 8.190 nan 0.000 0.447 301 M N 4.713 124.269 119.600 -0.073 0.000 2.238 301 M HA 0.146 4.626 4.480 0.000 0.000 0.350 301 M C 0.853 177.198 176.300 0.075 0.000 1.321 301 M CA -0.045 55.289 55.300 0.057 0.000 1.097 301 M CB 0.298 32.952 32.600 0.090 0.000 1.713 301 M HN 0.639 nan 8.290 nan 0.000 0.455 302 D N 1.259 121.745 120.400 0.144 0.000 2.309 302 D HA -0.117 4.524 4.640 0.000 0.000 0.212 302 D C 1.936 178.237 176.300 0.002 0.000 0.968 302 D CA 1.658 55.718 54.000 0.101 0.000 0.882 302 D CB -0.087 40.867 40.800 0.257 0.000 0.918 302 D HN 0.779 nan 8.370 nan 0.000 0.503 303 T N -1.483 113.084 114.554 0.021 0.000 2.946 303 T HA -0.129 4.221 4.350 0.000 0.000 0.271 303 T C 1.658 176.322 174.700 -0.061 0.000 1.104 303 T CA 1.204 63.300 62.100 -0.008 0.000 1.114 303 T CB -0.311 68.572 68.868 0.025 0.000 0.867 303 T HN 0.114 nan 8.240 nan 0.000 0.513 304 V N -2.143 117.729 119.914 -0.070 0.000 3.085 304 V HA 0.522 4.642 4.120 0.000 0.000 0.345 304 V C 0.655 176.689 176.094 -0.100 0.000 1.397 304 V CA -0.670 61.568 62.300 -0.104 0.000 1.165 304 V CB -0.360 31.406 31.823 -0.094 0.000 1.153 304 V HN 0.148 nan 8.190 nan 0.000 0.495 305 N N 1.615 120.236 118.700 -0.131 0.000 2.205 305 N HA 0.349 5.089 4.740 0.000 0.000 0.201 305 N C 1.368 176.786 175.510 -0.153 0.000 1.128 305 N CA 0.939 53.913 53.050 -0.126 0.000 0.867 305 N CB 1.244 39.637 38.487 -0.157 0.000 0.996 305 N HN 0.761 nan 8.380 nan 0.000 0.503 306 G N 2.683 111.247 108.800 -0.393 0.000 2.596 306 G HA2 -0.421 3.539 3.960 0.000 0.000 0.295 306 G HA3 -0.421 3.539 3.960 0.000 0.000 0.295 306 G C 0.861 175.655 174.900 -0.176 0.000 1.240 306 G CA 0.701 45.489 45.100 -0.520 0.000 0.985 306 G HN 0.489 nan 8.290 nan 0.000 0.555 307 R N 0.639 121.134 120.500 -0.009 0.000 2.237 307 R HA 0.363 4.703 4.340 0.000 0.000 0.219 307 R C 2.547 178.838 176.300 -0.015 0.000 1.080 307 R CA 1.881 57.969 56.100 -0.021 0.000 0.995 307 R CB -0.396 29.903 30.300 -0.002 0.000 0.875 307 R HN 1.107 nan 8.270 nan 0.000 0.462 308 A N 2.647 125.476 122.820 0.014 0.000 2.172 308 A HA -0.010 4.310 4.320 0.000 0.000 0.216 308 A C 2.172 179.767 177.584 0.018 0.000 1.154 308 A CA 0.855 52.892 52.037 -0.000 0.000 0.701 308 A CB -0.633 18.303 19.000 -0.107 0.000 0.789 308 A HN 0.607 nan 8.150 nan 0.000 0.465 309 I N -1.790 118.732 120.570 -0.080 0.000 2.700 309 I HA -0.131 4.039 4.170 0.000 0.000 0.261 309 I C 1.731 177.866 176.117 0.029 0.000 1.219 309 I CA 1.696 62.906 61.300 -0.149 0.000 1.463 309 I CB -0.361 37.242 38.000 -0.662 0.000 1.092 309 I HN 0.298 nan 8.210 nan 0.000 0.452 310 S N 0.122 115.869 115.700 0.079 0.000 2.556 310 S HA 0.229 4.699 4.470 0.000 0.000 0.216 310 S C 1.738 176.506 174.600 0.280 0.000 0.970 310 S CA -0.505 57.856 58.200 0.268 0.000 0.912 310 S CB -0.030 63.232 63.200 0.104 0.000 0.790 310 S HN 0.481 nan 8.310 nan 0.000 0.504 311 R N 1.401 121.910 120.500 0.014 0.000 2.057 311 R HA 0.260 4.600 4.340 0.000 0.000 0.229 311 R C 2.124 177.989 176.300 -0.725 0.000 1.136 311 R CA 0.963 56.930 56.100 -0.223 0.000 0.952 311 R CB -1.103 29.070 30.300 -0.212 0.000 0.848 311 R HN 0.522 nan 8.270 nan 0.000 0.430 312 G N 0.498 108.352 108.800 -1.578 0.000 2.685 312 G HA2 -0.364 3.596 3.960 0.000 0.000 0.329 312 G HA3 -0.364 3.596 3.960 0.000 0.000 0.329 312 G C -0.584 173.410 174.900 -1.511 0.000 1.271 312 G CA 0.707 44.156 45.100 -2.752 0.000 1.003 312 G HN 0.347 nan 8.290 nan 0.000 0.549 313 Y N 1.084 120.701 120.300 -1.138 0.000 2.404 313 Y HA 0.577 5.127 4.550 0.000 0.000 0.344 313 Y C 1.064 176.789 175.900 -0.290 0.000 0.995 313 Y CA -0.475 57.312 58.100 -0.523 0.000 1.201 313 Y CB 0.761 39.065 38.460 -0.259 0.000 1.151 313 Y HN 0.428 nan 8.280 nan 0.000 0.517 314 L N 4.418 125.589 121.223 -0.087 0.000 2.349 314 L HA 0.231 4.571 4.340 0.000 0.000 0.275 314 L C 1.389 178.293 176.870 0.056 0.000 1.115 314 L CA -0.378 54.443 54.840 -0.032 0.000 0.820 314 L CB 1.030 43.045 42.059 -0.073 0.000 1.135 314 L HN 0.653 nan 8.230 nan 0.000 0.445 315 K N 0.805 121.243 120.400 0.063 0.000 2.209 315 K HA -0.122 4.198 4.320 0.000 0.000 0.204 315 K C 1.781 178.419 176.600 0.065 0.000 1.048 315 K CA 1.516 57.847 56.287 0.073 0.000 0.940 315 K CB 0.055 32.593 32.500 0.064 0.000 0.729 315 K HN 0.752 nan 8.250 nan 0.000 0.451 316 S N 0.354 116.086 115.700 0.054 0.000 2.593 316 S HA -0.049 4.421 4.470 0.000 0.000 0.217 316 S C 0.157 174.796 174.600 0.065 0.000 0.966 316 S CA -0.051 58.185 58.200 0.059 0.000 0.914 316 S CB 0.059 63.290 63.200 0.052 0.000 0.776 316 S HN 0.071 nan 8.310 nan 0.000 0.523 317 D N 1.454 121.892 120.400 0.064 0.000 2.443 317 D HA 0.289 4.929 4.640 0.000 0.000 0.221 317 D C 0.235 176.588 176.300 0.089 0.000 1.097 317 D CA -0.444 53.594 54.000 0.064 0.000 0.865 317 D CB 0.936 41.757 40.800 0.035 0.000 1.034 317 D HN -0.098 nan 8.370 nan 0.000 0.511 318 D N 2.990 123.437 120.400 0.078 0.000 2.178 318 D HA -0.109 4.531 4.640 0.000 0.000 0.201 318 D C 1.916 178.262 176.300 0.076 0.000 0.980 318 D CA 0.734 54.774 54.000 0.068 0.000 0.842 318 D CB 0.272 41.107 40.800 0.058 0.000 0.948 318 D HN 0.508 nan 8.370 nan 0.000 0.472 319 L N -0.640 120.634 121.223 0.085 0.000 2.201 319 L HA -0.093 4.247 4.340 0.000 0.000 0.212 319 L C 0.422 177.391 176.870 0.165 0.000 1.105 319 L CA 0.362 55.259 54.840 0.095 0.000 0.775 319 L CB -0.573 41.531 42.059 0.075 0.000 0.913 319 L HN 0.192 nan 8.230 nan 0.000 0.440 320 H N -0.642 118.452 119.070 0.039 0.000 2.750 320 H HA -0.126 4.430 4.556 0.000 0.000 0.327 320 H C -1.178 174.264 175.328 0.190 0.000 1.199 320 H CA -0.098 55.994 56.048 0.073 0.000 1.149 320 H CB -1.478 28.270 29.762 -0.024 0.000 1.543 320 H HN -0.027 nan 8.280 nan 0.000 0.427 321 V N 3.513 123.444 119.914 0.029 0.000 2.384 321 V HA 0.193 4.313 4.120 0.000 0.000 0.287 321 V C 1.020 176.881 176.094 -0.389 0.000 1.020 321 V CA -0.460 61.795 62.300 -0.074 0.000 0.850 321 V CB 1.535 33.342 31.823 -0.028 0.000 0.987 321 V HN 0.561 nan 8.190 nan 0.000 0.436 322 M N 4.959 124.214 119.600 -0.575 0.000 2.268 322 M HA 0.277 4.757 4.480 0.000 0.000 0.349 322 M C 0.271 176.007 176.300 -0.939 0.000 1.485 322 M CA -0.202 54.455 55.300 -1.072 0.000 1.094 322 M CB 0.128 32.018 32.600 -1.183 0.000 1.843 322 M HN 0.577 nan 8.290 nan 0.000 0.460 323 R N 2.819 122.638 120.500 -1.135 0.000 2.643 323 R HA 0.484 4.824 4.340 0.000 0.000 0.270 323 R C -0.390 175.514 176.300 -0.660 0.000 1.061 323 R CA -0.041 55.405 56.100 -1.090 0.000 1.107 323 R CB 0.620 30.380 30.300 -0.899 0.000 0.999 323 R HN 0.853 nan 8.270 nan 0.000 0.460 324 S N -1.011 114.443 115.700 -0.410 0.000 2.688 324 S HA 0.077 4.547 4.470 0.000 0.000 0.266 324 S C 0.018 174.663 174.600 0.076 0.000 1.061 324 S CA -0.374 57.814 58.200 -0.020 0.000 0.844 324 S CB 0.476 63.712 63.200 0.060 0.000 1.103 324 S HN 0.534 nan 8.310 nan 0.000 0.471 325 D N 0.725 121.279 120.400 0.256 0.000 2.133 325 D HA -0.250 4.390 4.640 0.000 0.000 0.195 325 D C 1.410 177.714 176.300 0.005 0.000 0.997 325 D CA 2.119 56.239 54.000 0.198 0.000 0.840 325 D CB -1.087 39.857 40.800 0.240 0.000 0.947 325 D HN 0.692 nan 8.370 nan 0.000 0.452 326 H N -0.858 118.248 119.070 0.061 0.000 2.353 326 H HA -0.074 4.482 4.556 0.000 0.000 0.300 326 H C 2.049 177.341 175.328 -0.060 0.000 1.090 326 H CA 1.296 57.332 56.048 -0.019 0.000 1.327 326 H CB -0.607 29.148 29.762 -0.012 0.000 1.383 326 H HN 0.233 nan 8.280 nan 0.000 0.508 327 F N 1.811 121.682 119.950 -0.132 0.000 2.095 327 F HA -0.257 4.270 4.527 0.000 0.000 0.298 327 F C 2.598 178.234 175.800 -0.274 0.000 1.104 327 F CA 1.556 59.384 58.000 -0.288 0.000 1.232 327 F CB -0.195 38.537 39.000 -0.448 0.000 0.987 327 F HN 0.179 nan 8.300 nan 0.000 0.475 328 H N -0.550 118.584 119.070 0.106 0.000 2.428 328 H HA 0.046 4.602 4.556 0.000 0.000 0.296 328 H C 2.489 177.723 175.328 -0.157 0.000 1.062 328 H CA 1.023 57.060 56.048 -0.020 0.000 1.350 328 H CB -1.075 28.711 29.762 0.041 0.000 1.403 328 H HN 0.450 nan 8.280 nan 0.000 0.533 329 G N 0.698 109.450 108.800 -0.081 0.000 2.404 329 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 329 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 329 G C 1.636 176.417 174.900 -0.198 0.000 1.174 329 G CA 0.458 45.434 45.100 -0.206 0.000 0.780 329 G HN 0.379 nan 8.290 nan 0.000 0.537 330 Q N -0.287 119.416 119.800 -0.161 0.000 2.096 330 Q HA -0.190 4.151 4.340 0.000 0.000 0.208 330 Q C 2.834 178.843 176.000 0.015 0.000 0.993 330 Q CA 1.589 57.355 55.803 -0.061 0.000 0.862 330 Q CB -0.161 28.407 28.738 -0.284 0.000 0.915 330 Q HN 0.402 nan 8.270 nan 0.000 0.416 331 Q N 0.063 119.755 119.800 -0.180 0.000 2.124 331 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 331 Q C 2.134 178.070 176.000 -0.107 0.000 0.977 331 Q CA 0.914 56.646 55.803 -0.119 0.000 0.850 331 Q CB -0.331 28.275 28.738 -0.219 0.000 0.901 331 Q HN 0.289 nan 8.270 nan 0.000 0.429 332 L N 0.518 121.646 121.223 -0.158 0.000 2.044 332 L HA -0.046 4.294 4.340 0.000 0.000 0.205 332 L C 2.127 178.872 176.870 -0.208 0.000 1.075 332 L CA 1.237 55.941 54.840 -0.227 0.000 0.747 332 L CB -0.650 41.243 42.059 -0.276 0.000 0.903 332 L HN 0.094 nan 8.230 nan 0.000 0.435 333 I N -0.325 120.143 120.570 -0.169 0.000 2.163 333 I HA -0.347 3.823 4.170 0.000 0.000 0.243 333 I C 2.574 178.654 176.117 -0.062 0.000 1.085 333 I CA 1.378 62.631 61.300 -0.079 0.000 1.347 333 I CB -0.638 37.349 38.000 -0.022 0.000 1.044 333 I HN 0.343 nan 8.210 nan 0.000 0.408 334 A N 0.637 123.402 122.820 -0.091 0.000 1.940 334 A HA -0.199 4.121 4.320 0.000 0.000 0.219 334 A C 2.525 180.027 177.584 -0.136 0.000 1.176 334 A CA 1.938 53.861 52.037 -0.190 0.000 0.631 334 A CB -0.863 17.955 19.000 -0.304 0.000 0.814 334 A HN 0.461 nan 8.150 nan 0.000 0.446 335 A N -0.654 122.086 122.820 -0.135 0.000 1.972 335 A HA -0.106 4.214 4.320 0.000 0.000 0.219 335 A C 2.224 179.733 177.584 -0.124 0.000 1.169 335 A CA 1.786 53.735 52.037 -0.147 0.000 0.635 335 A CB -0.521 18.354 19.000 -0.209 0.000 0.810 335 A HN 0.558 nan 8.150 nan 0.000 0.446 336 M N -0.657 118.871 119.600 -0.120 0.000 2.175 336 M HA -0.074 4.406 4.480 0.000 0.000 0.264 336 M C 2.479 178.841 176.300 0.104 0.000 1.063 336 M CA 1.288 56.542 55.300 -0.077 0.000 1.119 336 M CB -0.352 32.197 32.600 -0.086 0.000 1.377 336 M HN 0.437 nan 8.290 nan 0.000 0.415 337 A N -0.094 122.777 122.820 0.085 0.000 2.019 337 A HA -0.076 4.244 4.320 0.000 0.000 0.219 337 A C 2.210 179.863 177.584 0.114 0.000 1.164 337 A CA 1.414 53.530 52.037 0.131 0.000 0.644 337 A CB -0.846 18.161 19.000 0.011 0.000 0.805 337 A HN 0.313 nan 8.150 nan 0.000 0.449 338 V N -0.585 119.355 119.914 0.042 0.000 2.323 338 V HA -0.169 3.951 4.120 0.000 0.000 0.244 338 V C 2.396 178.553 176.094 0.105 0.000 1.041 338 V CA 1.720 64.044 62.300 0.039 0.000 1.025 338 V CB -0.691 31.120 31.823 -0.021 0.000 0.656 338 V HN 0.573 nan 8.190 nan 0.000 0.451 339 L N 1.143 122.440 121.223 0.123 0.000 2.201 339 L HA 0.063 4.403 4.340 0.000 0.000 0.212 339 L C 2.411 179.500 176.870 0.364 0.000 1.105 339 L CA 1.920 56.875 54.840 0.192 0.000 0.775 339 L CB -0.941 41.189 42.059 0.119 0.000 0.913 339 L HN 0.213 nan 8.230 nan 0.000 0.440 340 A N -0.265 122.814 122.820 0.431 0.000 1.986 340 A HA -0.166 4.154 4.320 0.000 0.000 0.220 340 A C 2.258 179.897 177.584 0.092 0.000 1.171 340 A CA 1.526 53.745 52.037 0.303 0.000 0.640 340 A CB -1.525 17.688 19.000 0.355 0.000 0.811 340 A HN 0.526 nan 8.150 nan 0.000 0.451 341 G N -1.365 107.514 108.800 0.132 0.000 2.625 341 G HA2 0.201 4.161 3.960 0.000 0.000 0.214 341 G HA3 0.201 4.161 3.960 0.000 0.000 0.214 341 G C 1.021 175.973 174.900 0.087 0.000 1.132 341 G CA 1.005 46.158 45.100 0.089 0.000 0.782 341 G HN 0.811 nan 8.290 nan 0.000 0.538 342 G N -0.878 108.004 108.800 0.136 0.000 3.377 342 G HA2 0.559 4.519 3.960 0.000 0.000 0.257 342 G HA3 0.559 4.519 3.960 0.000 0.000 0.257 342 G C 0.428 175.388 174.900 0.100 0.000 1.038 342 G CA 0.736 45.941 45.100 0.174 0.000 0.809 342 G HN 0.597 nan 8.290 nan 0.000 0.526 343 A N 0.458 123.264 122.820 -0.023 0.000 2.261 343 A HA 0.805 5.125 4.320 0.000 0.000 0.323 343 A C 0.822 178.276 177.584 -0.217 0.000 1.107 343 A CA 0.166 52.098 52.037 -0.175 0.000 0.883 343 A CB 0.726 19.398 19.000 -0.547 0.000 1.251 343 A HN 0.765 nan 8.150 nan 0.000 0.502 344 S N -0.127 115.426 115.700 -0.245 0.000 2.608 344 S HA 0.076 4.546 4.470 0.000 0.000 0.261 344 S C 0.645 175.088 174.600 -0.261 0.000 1.314 344 S CA -0.093 57.985 58.200 -0.205 0.000 0.992 344 S CB 0.256 63.356 63.200 -0.168 0.000 0.935 344 S HN 0.623 nan 8.310 nan 0.000 0.564 345 N N 1.210 119.792 118.700 -0.196 0.000 2.188 345 N HA -0.081 4.659 4.740 0.000 0.000 0.184 345 N C 1.969 177.343 175.510 -0.226 0.000 1.018 345 N CA 1.433 54.365 53.050 -0.197 0.000 0.858 345 N CB -1.046 37.364 38.487 -0.129 0.000 0.989 345 N HN 0.804 nan 8.380 nan 0.000 0.426 346 A N 1.440 124.142 122.820 -0.196 0.000 1.972 346 A HA -0.142 4.178 4.320 0.000 0.000 0.219 346 A C 2.118 179.539 177.584 -0.272 0.000 1.169 346 A CA 1.255 53.184 52.037 -0.181 0.000 0.635 346 A CB -0.338 18.588 19.000 -0.124 0.000 0.810 346 A HN 0.324 nan 8.150 nan 0.000 0.446 347 E N -0.773 119.178 120.200 -0.415 0.000 2.028 347 E HA -0.147 4.203 4.350 0.000 0.000 0.190 347 E C 2.286 178.216 176.600 -1.116 0.000 0.984 347 E CA 0.915 56.847 56.400 -0.780 0.000 0.800 347 E CB -0.215 28.932 29.700 -0.922 0.000 0.758 347 E HN 0.558 nan 8.360 nan 0.000 0.448 348 R N 1.224 121.182 120.500 -0.904 0.000 2.113 348 R HA -0.282 4.058 4.340 0.000 0.000 0.244 348 R C 2.275 178.203 176.300 -0.620 0.000 1.142 348 R CA 2.104 57.728 56.100 -0.794 0.000 0.953 348 R CB -0.142 29.786 30.300 -0.621 0.000 0.860 348 R HN 0.184 nan 8.270 nan 0.000 0.438 349 E N -0.161 119.807 120.200 -0.387 0.000 2.110 349 E HA -0.202 4.148 4.350 0.000 0.000 0.193 349 E C 2.087 178.639 176.600 -0.079 0.000 0.988 349 E CA 1.099 57.390 56.400 -0.182 0.000 0.804 349 E CB 0.100 29.724 29.700 -0.127 0.000 0.745 349 E HN 0.343 nan 8.360 nan 0.000 0.458 350 R N -0.456 119.985 120.500 -0.098 0.000 2.075 350 R HA -0.121 4.219 4.340 0.000 0.000 0.232 350 R C 2.110 178.536 176.300 0.211 0.000 1.126 350 R CA 1.495 57.625 56.100 0.050 0.000 0.963 350 R CB -0.253 30.102 30.300 0.091 0.000 0.858 350 R HN 0.332 nan 8.270 nan 0.000 0.435 351 W N 0.529 121.810 121.300 -0.033 0.000 2.379 351 W HA -0.042 4.618 4.660 0.000 0.000 0.307 351 W C 2.054 178.628 176.519 0.092 0.000 1.200 351 W CA 0.559 57.916 57.345 0.021 0.000 1.297 351 W CB -1.416 28.073 29.460 0.047 0.000 1.140 351 W HN 0.301 nan 8.180 nan 0.000 0.507 352 H N -0.409 118.761 119.070 0.166 0.000 2.387 352 H HA -0.109 4.447 4.556 0.000 0.000 0.299 352 H C 2.216 177.542 175.328 -0.002 0.000 1.099 352 H CA 1.238 57.327 56.048 0.067 0.000 1.315 352 H CB -0.169 29.612 29.762 0.031 0.000 1.380 352 H HN 0.086 nan 8.280 nan 0.000 0.513 353 A N 1.255 124.139 122.820 0.107 0.000 1.930 353 A HA -0.132 4.188 4.320 0.000 0.000 0.217 353 A C 2.289 179.791 177.584 -0.137 0.000 1.175 353 A CA 0.826 52.858 52.037 -0.009 0.000 0.627 353 A CB -0.082 18.908 19.000 -0.017 0.000 0.815 353 A HN 0.224 nan 8.150 nan 0.000 0.443 354 R N -0.094 120.290 120.500 -0.195 0.000 2.066 354 R HA -0.012 4.328 4.340 0.000 0.000 0.232 354 R C 1.963 177.790 176.300 -0.788 0.000 1.131 354 R CA 1.429 57.169 56.100 -0.599 0.000 0.955 354 R CB -0.970 28.920 30.300 -0.684 0.000 0.851 354 R HN 0.622 nan 8.270 nan 0.000 0.432 355 I N 1.022 121.423 120.570 -0.281 0.000 2.286 355 I HA -0.248 3.922 4.170 0.000 0.000 0.248 355 I C 2.609 178.719 176.117 -0.012 0.000 1.115 355 I CA 1.198 62.517 61.300 0.032 0.000 1.392 355 I CB -0.230 37.866 38.000 0.160 0.000 1.065 355 I HN 0.138 nan 8.210 nan 0.000 0.418 356 K N 1.165 121.518 120.400 -0.078 0.000 2.097 356 K HA -0.109 4.211 4.320 0.000 0.000 0.205 356 K C 2.121 178.670 176.600 -0.085 0.000 1.050 356 K CA 1.370 57.618 56.287 -0.064 0.000 0.938 356 K CB -0.283 32.184 32.500 -0.055 0.000 0.718 356 K HN 0.338 nan 8.250 nan 0.000 0.442 357 G N 0.438 109.122 108.800 -0.193 0.000 2.422 357 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 357 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 357 G C 1.000 175.840 174.900 -0.101 0.000 1.146 357 G CA 0.484 45.460 45.100 -0.208 0.000 0.769 357 G HN 0.303 nan 8.290 nan 0.000 0.547 358 W N 0.573 121.852 121.300 -0.034 0.000 2.443 358 W HA 0.200 4.860 4.660 0.000 0.000 0.296 358 W C 2.501 178.995 176.519 -0.042 0.000 1.202 358 W CA -0.086 57.228 57.345 -0.051 0.000 1.312 358 W CB -0.955 28.473 29.460 -0.053 0.000 1.120 358 W HN 0.160 nan 8.180 nan 0.000 0.536 359 I N 0.623 121.301 120.570 0.180 0.000 2.151 359 I HA -0.352 3.818 4.170 0.000 0.000 0.243 359 I C 2.448 178.590 176.117 0.043 0.000 1.080 359 I CA 2.065 63.413 61.300 0.080 0.000 1.339 359 I CB -0.575 37.437 38.000 0.020 0.000 1.039 359 I HN 0.011 nan 8.210 nan 0.000 0.409 360 E N 0.984 121.199 120.200 0.026 0.000 2.204 360 E HA -0.199 4.151 4.350 0.000 0.000 0.194 360 E C 2.223 178.836 176.600 0.021 0.000 0.989 360 E CA 0.973 57.380 56.400 0.011 0.000 0.824 360 E CB 0.128 29.824 29.700 -0.007 0.000 0.756 360 E HN 0.436 nan 8.360 nan 0.000 0.477 361 R N 0.139 120.664 120.500 0.041 0.000 2.237 361 R HA 0.037 4.377 4.340 0.000 0.000 0.195 361 R C 0.276 176.595 176.300 0.031 0.000 0.956 361 R CA 0.198 56.317 56.100 0.031 0.000 1.029 361 R CB 0.242 30.557 30.300 0.025 0.000 0.972 361 R HN 0.036 nan 8.270 nan 0.000 0.493 362 D N 1.594 122.026 120.400 0.053 0.000 2.398 362 D HA -0.038 4.602 4.640 0.000 0.000 0.250 362 D C 0.787 177.082 176.300 -0.009 0.000 1.287 362 D CA 0.334 54.361 54.000 0.045 0.000 0.992 362 D CB 0.947 41.797 40.800 0.084 0.000 1.071 362 D HN 0.190 nan 8.370 nan 0.000 0.514 363 T N -0.628 113.910 114.554 -0.027 0.000 3.100 363 T HA 0.008 4.358 4.350 0.000 0.000 0.253 363 T C 1.791 176.436 174.700 -0.091 0.000 1.118 363 T CA 0.121 62.197 62.100 -0.040 0.000 1.058 363 T CB 0.228 69.088 68.868 -0.013 0.000 0.953 363 T HN 0.113 nan 8.240 nan 0.000 0.515 364 V N 2.416 122.210 119.914 -0.201 0.000 2.256 364 V HA 0.091 4.212 4.120 0.000 0.000 0.240 364 V C 1.686 177.638 176.094 -0.237 0.000 1.036 364 V CA 1.632 63.753 62.300 -0.299 0.000 1.008 364 V CB -0.663 30.738 31.823 -0.703 0.000 0.648 364 V HN 0.802 nan 8.190 nan 0.000 0.453 365 T N -1.164 113.228 114.554 -0.269 0.000 3.060 365 T HA 0.457 4.807 4.350 0.000 0.000 0.367 365 T C -2.892 171.760 174.700 -0.080 0.000 1.229 365 T CA -2.098 59.922 62.100 -0.132 0.000 1.104 365 T CB 1.121 69.930 68.868 -0.098 0.000 1.083 365 T HN 0.075 nan 8.240 nan 0.000 0.524 366 P HA 0.030 nan 4.420 nan 0.000 0.258 366 P C 1.306 178.598 177.300 -0.013 0.000 1.172 366 P CA -0.139 62.945 63.100 -0.026 0.000 0.762 366 P CB 0.651 32.340 31.700 -0.018 0.000 0.764 367 V N 4.871 124.796 119.914 0.017 0.000 2.295 367 V HA -0.239 3.881 4.120 0.000 0.000 0.246 367 V C 2.190 178.346 176.094 0.104 0.000 1.049 367 V CA 1.789 64.138 62.300 0.082 0.000 1.024 367 V CB -0.965 30.917 31.823 0.099 0.000 0.648 367 V HN 0.561 nan 8.190 nan 0.000 0.447 368 L N 0.721 121.931 121.223 -0.021 0.000 2.450 368 L HA -0.091 4.249 4.340 0.000 0.000 0.224 368 L C 1.919 178.814 176.870 0.042 0.000 1.149 368 L CA 1.690 56.448 54.840 -0.136 0.000 0.816 368 L CB -0.759 41.114 42.059 -0.310 0.000 0.932 368 L HN 0.610 nan 8.230 nan 0.000 0.449 369 T N -4.361 110.218 114.554 0.043 0.000 3.145 369 T HA 0.411 4.761 4.350 0.000 0.000 0.281 369 T C 0.657 175.352 174.700 -0.008 0.000 1.003 369 T CA -0.029 62.089 62.100 0.030 0.000 0.901 369 T CB 0.231 69.109 68.868 0.016 0.000 1.112 369 T HN 0.115 nan 8.240 nan 0.000 0.535 370 A N 3.285 126.077 122.820 -0.046 0.000 2.561 370 A HA 0.405 4.725 4.320 0.000 0.000 0.251 370 A C -0.977 176.486 177.584 -0.201 0.000 1.062 370 A CA -0.869 51.021 52.037 -0.245 0.000 0.761 370 A CB 0.137 18.711 19.000 -0.710 0.000 0.986 370 A HN 0.235 nan 8.150 nan 0.000 0.510 371 P HA -0.159 nan 4.420 nan 0.000 0.221 371 P C 1.412 178.685 177.300 -0.046 0.000 1.150 371 P CA 1.115 64.184 63.100 -0.053 0.000 0.800 371 P CB 0.154 31.848 31.700 -0.009 0.000 0.787 372 Q N -0.991 118.738 119.800 -0.118 0.000 2.378 372 Q HA -0.046 4.294 4.340 0.000 0.000 0.205 372 Q C 0.156 176.161 176.000 0.007 0.000 0.954 372 Q CA 0.549 56.327 55.803 -0.041 0.000 0.901 372 Q CB -0.773 27.982 28.738 0.027 0.000 0.981 372 Q HN 0.134 nan 8.270 nan 0.000 0.483 373 F N 4.894 124.814 119.950 -0.051 0.000 2.541 373 F HA 0.253 4.780 4.527 0.000 0.000 0.378 373 F C -1.682 174.089 175.800 -0.049 0.000 1.068 373 F CA -2.767 55.191 58.000 -0.069 0.000 1.199 373 F CB 0.032 38.980 39.000 -0.087 0.000 1.091 373 F HN 0.083 nan 8.300 nan 0.000 0.555 374 P HA 0.042 nan 4.420 nan 0.000 0.274 374 P C 1.040 178.352 177.300 0.019 0.000 1.256 374 P CA -0.144 63.004 63.100 0.079 0.000 0.795 374 P CB 1.096 32.844 31.700 0.080 0.000 1.038 375 V N -1.087 118.813 119.914 -0.023 0.000 2.324 375 V HA -0.299 3.821 4.120 0.000 0.000 0.250 375 V C 2.362 178.386 176.094 -0.116 0.000 1.060 375 V CA 2.615 64.854 62.300 -0.102 0.000 1.042 375 V CB -2.393 29.282 31.823 -0.246 0.000 0.650 375 V HN 0.569 nan 8.190 nan 0.000 0.450 376 A N 0.557 123.331 122.820 -0.077 0.000 1.917 376 A HA -0.271 4.049 4.320 0.000 0.000 0.219 376 A C 2.017 179.538 177.584 -0.104 0.000 1.182 376 A CA 2.235 54.231 52.037 -0.069 0.000 0.633 376 A CB -0.915 18.049 19.000 -0.060 0.000 0.819 376 A HN 0.676 nan 8.150 nan 0.000 0.448 377 D N -0.121 120.181 120.400 -0.162 0.000 2.144 377 D HA -0.074 4.566 4.640 0.000 0.000 0.200 377 D C 1.989 178.080 176.300 -0.349 0.000 0.978 377 D CA 1.026 54.819 54.000 -0.345 0.000 0.833 377 D CB -0.276 40.146 40.800 -0.631 0.000 0.961 377 D HN 0.472 nan 8.370 nan 0.000 0.470 378 L N 0.907 122.013 121.223 -0.195 0.000 2.042 378 L HA -0.171 4.169 4.340 0.000 0.000 0.210 378 L C 2.603 179.566 176.870 0.154 0.000 1.076 378 L CA 1.187 56.003 54.840 -0.041 0.000 0.749 378 L CB -0.861 41.127 42.059 -0.119 0.000 0.893 378 L HN 0.000 nan 8.230 nan 0.000 0.432 379 T N -0.669 113.980 114.554 0.160 0.000 2.635 379 T HA -0.239 4.111 4.350 0.000 0.000 0.267 379 T C 2.050 176.811 174.700 0.102 0.000 1.040 379 T CA 1.452 63.664 62.100 0.187 0.000 1.156 379 T CB -0.254 68.672 68.868 0.097 0.000 0.863 379 T HN 0.270 nan 8.240 nan 0.000 0.430 380 R N 0.274 120.774 120.500 0.001 0.000 2.081 380 R HA 0.050 4.390 4.340 0.000 0.000 0.235 380 R C 2.494 178.745 176.300 -0.081 0.000 1.131 380 R CA 1.070 57.147 56.100 -0.039 0.000 0.960 380 R CB -0.424 29.833 30.300 -0.072 0.000 0.856 380 R HN 0.374 nan 8.270 nan 0.000 0.436 381 L N -1.401 119.750 121.223 -0.119 0.000 2.131 381 L HA -0.084 4.256 4.340 0.000 0.000 0.206 381 L C 2.069 178.852 176.870 -0.145 0.000 1.087 381 L CA 1.065 55.806 54.840 -0.166 0.000 0.767 381 L CB -0.368 41.541 42.059 -0.251 0.000 0.917 381 L HN 0.216 nan 8.230 nan 0.000 0.441 382 H N -0.244 118.802 119.070 -0.040 0.000 2.352 382 H HA -0.162 4.394 4.556 0.000 0.000 0.299 382 H C 2.284 177.610 175.328 -0.003 0.000 1.097 382 H CA 1.633 57.687 56.048 0.010 0.000 1.311 382 H CB -0.018 29.800 29.762 0.094 0.000 1.377 382 H HN 0.355 nan 8.280 nan 0.000 0.504 383 A N 0.429 123.301 122.820 0.085 0.000 1.933 383 A HA -0.132 4.188 4.320 0.000 0.000 0.218 383 A C 2.343 179.893 177.584 -0.056 0.000 1.175 383 A CA 1.475 53.528 52.037 0.027 0.000 0.628 383 A CB -0.601 18.408 19.000 0.015 0.000 0.814 383 A HN 0.376 nan 8.150 nan 0.000 0.444 384 I N -0.394 120.085 120.570 -0.152 0.000 2.202 384 I HA -0.234 3.936 4.170 0.000 0.000 0.242 384 I C 2.944 178.989 176.117 -0.120 0.000 1.091 384 I CA 1.049 62.198 61.300 -0.252 0.000 1.368 384 I CB -0.341 37.430 38.000 -0.381 0.000 1.058 384 I HN 0.335 nan 8.210 nan 0.000 0.410 385 A N 0.349 123.114 122.820 -0.091 0.000 1.972 385 A HA -0.212 4.108 4.320 0.000 0.000 0.219 385 A C 1.883 179.460 177.584 -0.012 0.000 1.169 385 A CA 1.898 53.902 52.037 -0.056 0.000 0.635 385 A CB -0.493 18.458 19.000 -0.081 0.000 0.810 385 A HN 0.339 nan 8.150 nan 0.000 0.446 386 D N 0.304 120.713 120.400 0.014 0.000 2.183 386 D HA 0.144 4.784 4.640 0.000 0.000 0.203 386 D C 1.234 177.546 176.300 0.019 0.000 0.969 386 D CA 1.010 55.031 54.000 0.035 0.000 0.842 386 D CB -0.539 40.300 40.800 0.065 0.000 0.957 386 D HN 0.441 nan 8.370 nan 0.000 0.484 387 A N 1.756 124.580 122.820 0.007 0.000 2.507 387 A HA 0.301 4.621 4.320 0.000 0.000 0.235 387 A C -2.079 175.513 177.584 0.014 0.000 1.070 387 A CA -0.696 51.350 52.037 0.014 0.000 0.768 387 A CB -0.277 18.738 19.000 0.023 0.000 1.011 387 A HN -0.013 nan 8.150 nan 0.000 0.502 388 P HA 0.604 nan 4.420 nan 0.000 0.276 388 P C 0.327 177.635 177.300 0.013 0.000 1.244 388 P CA 0.662 63.769 63.100 0.011 0.000 0.801 388 P CB 1.094 32.800 31.700 0.010 0.000 1.006 389 G N -0.308 108.496 108.800 0.006 0.000 2.361 389 G HA2 0.082 4.042 3.960 0.000 0.000 0.331 389 G HA3 0.082 4.042 3.960 0.000 0.000 0.331 389 G C -1.364 173.533 174.900 -0.004 0.000 1.324 389 G CA -0.802 44.301 45.100 0.005 0.000 0.984 389 G HN 0.392 nan 8.290 nan 0.000 0.586 390 E N -0.201 119.993 120.200 -0.010 0.000 2.398 390 E HA 0.525 4.875 4.350 0.000 0.000 0.263 390 E C 0.661 177.240 176.600 -0.036 0.000 1.046 390 E CA 0.532 56.918 56.400 -0.023 0.000 0.908 390 E CB 1.301 30.984 29.700 -0.029 0.000 0.963 390 E HN 1.232 nan 8.360 nan 0.000 0.431 391 A N 2.399 125.192 122.820 -0.044 0.000 2.478 391 A HA 0.551 4.871 4.320 0.000 0.000 0.327 391 A C 0.115 177.644 177.584 -0.091 0.000 1.431 391 A CA -0.302 51.693 52.037 -0.070 0.000 1.014 391 A CB 0.065 19.033 19.000 -0.055 0.000 1.143 391 A HN 0.514 nan 8.150 nan 0.000 0.532 392 A N 5.291 128.033 122.820 -0.131 0.000 2.488 392 A HA 0.574 4.894 4.320 0.000 0.000 0.249 392 A C -1.992 175.491 177.584 -0.167 0.000 1.083 392 A CA -1.013 50.941 52.037 -0.138 0.000 0.768 392 A CB -0.324 18.584 19.000 -0.154 0.000 1.017 392 A HN 0.622 nan 8.150 nan 0.000 0.496 393 P HA 0.167 nan 4.420 nan 0.000 0.272 393 P C -0.517 176.735 177.300 -0.079 0.000 1.240 393 P CA -0.263 62.792 63.100 -0.075 0.000 0.791 393 P CB 0.485 32.165 31.700 -0.033 0.000 0.978 394 E N 1.462 121.650 120.200 -0.019 0.000 2.290 394 E HA 0.206 4.556 4.350 0.000 0.000 0.277 394 E C -1.813 174.802 176.600 0.025 0.000 1.035 394 E CA -1.577 54.843 56.400 0.033 0.000 0.873 394 E CB -0.289 29.497 29.700 0.144 0.000 1.029 394 E HN 0.367 nan 8.360 nan 0.000 0.419 395 P HA -0.012 nan 4.420 nan 0.000 0.271 395 P C -0.397 176.897 177.300 -0.011 0.000 1.216 395 P CA -0.271 62.834 63.100 0.009 0.000 0.776 395 P CB 0.502 32.218 31.700 0.027 0.000 0.881 396 V N 2.581 122.464 119.914 -0.050 0.000 2.694 396 V HA 0.405 4.525 4.120 0.000 0.000 0.306 396 V C 1.204 177.218 176.094 -0.134 0.000 1.054 396 V CA 1.876 64.111 62.300 -0.108 0.000 1.161 396 V CB -0.224 31.538 31.823 -0.102 0.000 0.916 396 V HN 1.118 nan 8.190 nan 0.000 0.490 397 G N 3.680 112.360 108.800 -0.200 0.000 2.343 397 G HA2 0.225 4.185 3.960 0.000 0.000 0.289 397 G HA3 0.225 4.185 3.960 0.000 0.000 0.289 397 G C -1.532 173.259 174.900 -0.182 0.000 1.295 397 G CA -0.699 44.273 45.100 -0.213 0.000 0.869 397 G HN 0.815 nan 8.290 nan 0.000 0.522 398 H N 0.048 118.929 119.070 -0.315 0.000 2.679 398 H HA 0.624 5.180 4.556 0.000 0.000 0.360 398 H C -1.241 173.790 175.328 -0.493 0.000 1.105 398 H CA -0.318 55.597 56.048 -0.223 0.000 1.196 398 H CB 1.830 31.543 29.762 -0.080 0.000 1.636 398 H HN 0.567 nan 8.280 nan 0.000 0.531 399 H N 3.962 122.668 119.070 -0.607 0.000 2.727 399 H HA 0.217 4.773 4.556 0.000 0.000 0.330 399 H C -0.724 174.160 175.328 -0.740 0.000 0.986 399 H CA -0.670 55.000 56.048 -0.629 0.000 1.251 399 H CB 1.684 30.984 29.762 -0.771 0.000 1.493 399 H HN 0.239 nan 8.280 nan 0.000 0.515 400 L N 4.288 125.282 121.223 -0.382 0.000 2.264 400 L HA 0.364 4.704 4.340 0.000 0.000 0.287 400 L C -1.382 175.297 176.870 -0.319 0.000 1.039 400 L CA -0.291 54.411 54.840 -0.231 0.000 0.829 400 L CB -0.312 41.741 42.059 -0.011 0.000 1.211 400 L HN 0.499 nan 8.230 nan 0.000 0.427 401 F N 5.285 125.199 119.950 -0.060 0.000 2.467 401 F HA 0.406 4.933 4.527 0.000 0.000 0.349 401 F C 1.423 177.173 175.800 -0.084 0.000 1.182 401 F CA 0.009 57.954 58.000 -0.091 0.000 1.279 401 F CB 0.340 39.272 39.000 -0.112 0.000 1.626 401 F HN 0.717 nan 8.300 nan 0.000 0.596 402 A N 2.079 124.930 122.820 0.052 0.000 1.902 402 A HA -0.090 4.230 4.320 0.000 0.000 0.217 402 A C 2.402 179.965 177.584 -0.034 0.000 1.181 402 A CA 1.725 53.770 52.037 0.013 0.000 0.623 402 A CB -0.734 18.257 19.000 -0.016 0.000 0.818 402 A HN 0.602 nan 8.150 nan 0.000 0.443 403 A N -0.144 122.610 122.820 -0.110 0.000 2.125 403 A HA 0.027 4.347 4.320 0.000 0.000 0.219 403 A C 1.927 179.327 177.584 -0.307 0.000 1.156 403 A CA 1.577 53.426 52.037 -0.313 0.000 0.671 403 A CB -0.670 17.926 19.000 -0.674 0.000 0.794 403 A HN 0.865 nan 8.150 nan 0.000 0.459 404 M N -3.617 115.894 119.600 -0.149 0.000 2.502 404 M HA 0.341 4.821 4.480 0.000 0.000 0.351 404 M C -0.709 175.583 176.300 -0.014 0.000 1.118 404 M CA -0.145 55.093 55.300 -0.103 0.000 0.952 404 M CB 0.241 32.773 32.600 -0.113 0.000 1.424 404 M HN -0.019 nan 8.290 nan 0.000 0.529 405 D N 2.215 122.628 120.400 0.021 0.000 2.689 405 D HA -0.122 4.518 4.640 0.000 0.000 0.237 405 D C -0.724 175.618 176.300 0.070 0.000 1.148 405 D CA 0.847 54.886 54.000 0.065 0.000 0.656 405 D CB -0.530 40.313 40.800 0.072 0.000 1.050 405 D HN 0.512 nan 8.370 nan 0.000 0.426 406 R N -0.439 120.118 120.500 0.096 0.000 2.744 406 R HA 0.897 5.237 4.340 0.000 0.000 0.279 406 R C -0.258 176.124 176.300 0.135 0.000 0.977 406 R CA -0.714 55.450 56.100 0.107 0.000 0.906 406 R CB 2.221 32.583 30.300 0.102 0.000 1.197 406 R HN 0.087 nan 8.270 nan 0.000 0.463 407 A N 1.357 124.202 122.820 0.043 0.000 2.475 407 A HA 0.754 5.074 4.320 0.000 0.000 0.301 407 A C -1.146 176.335 177.584 -0.173 0.000 1.059 407 A CA -0.643 51.328 52.037 -0.111 0.000 0.710 407 A CB 1.970 20.872 19.000 -0.163 0.000 1.288 407 A HN 0.323 nan 8.150 nan 0.000 0.408 408 V N 1.692 121.388 119.914 -0.363 0.000 2.709 408 V HA 0.549 4.669 4.120 0.000 0.000 0.308 408 V C -1.106 174.749 176.094 -0.398 0.000 1.062 408 V CA -0.408 61.774 62.300 -0.196 0.000 0.901 408 V CB 1.969 33.790 31.823 -0.003 0.000 1.003 408 V HN 1.046 nan 8.190 nan 0.000 0.425 409 H N 3.893 122.816 119.070 -0.245 0.000 2.667 409 H HA 0.712 5.268 4.556 0.000 0.000 0.353 409 H C -0.659 174.629 175.328 -0.067 0.000 1.072 409 H CA -0.619 55.339 56.048 -0.151 0.000 1.214 409 H CB 1.455 31.251 29.762 0.056 0.000 1.600 409 H HN 0.567 nan 8.280 nan 0.000 0.527 410 R N 3.903 124.117 120.500 -0.477 0.000 2.561 410 R HA 0.563 4.903 4.340 0.000 0.000 0.297 410 R C -0.547 175.387 176.300 -0.609 0.000 0.969 410 R CA -1.072 54.766 56.100 -0.437 0.000 0.879 410 R CB 1.485 31.676 30.300 -0.181 0.000 1.178 410 R HN 0.510 nan 8.270 nan 0.000 0.445 411 R N 1.870 121.983 120.500 -0.645 0.000 2.922 411 R HA 0.369 4.709 4.340 0.000 0.000 0.256 411 R C -1.970 174.189 176.300 -0.235 0.000 1.138 411 R CA -2.350 53.481 56.100 -0.449 0.000 0.995 411 R CB 0.238 30.232 30.300 -0.510 0.000 1.226 411 R HN 0.278 nan 8.270 nan 0.000 0.481 412 P HA -0.062 nan 4.420 nan 0.000 0.216 412 P C 0.780 178.100 177.300 0.032 0.000 1.150 412 P CA 1.703 64.792 63.100 -0.019 0.000 0.837 412 P CB 0.198 31.905 31.700 0.012 0.000 0.786 413 A N -1.900 120.963 122.820 0.072 0.000 2.119 413 A HA 0.201 4.521 4.320 0.000 0.000 0.216 413 A C 0.689 178.473 177.584 0.333 0.000 1.152 413 A CA 0.621 52.779 52.037 0.202 0.000 0.708 413 A CB -0.844 18.304 19.000 0.246 0.000 0.805 413 A HN 0.344 nan 8.150 nan 0.000 0.460 414 F N -4.754 115.254 119.950 0.096 0.000 2.770 414 F HA 0.618 5.145 4.527 0.000 0.000 0.313 414 F C -1.050 174.831 175.800 0.136 0.000 1.154 414 F CA -0.869 57.218 58.000 0.145 0.000 0.923 414 F CB 0.599 39.662 39.000 0.105 0.000 1.301 414 F HN -0.262 nan 8.300 nan 0.000 0.449 415 T N 1.489 116.247 114.554 0.340 0.000 2.893 415 T HA 0.906 5.256 4.350 0.000 0.000 0.291 415 T C -1.086 174.035 174.700 0.702 0.000 1.028 415 T CA -0.426 61.801 62.100 0.212 0.000 0.995 415 T CB 1.665 70.369 68.868 -0.273 0.000 1.051 415 T HN 1.143 nan 8.240 nan 0.000 0.470 416 A N 0.994 124.191 122.820 0.629 0.000 2.520 416 A HA 0.873 5.193 4.320 0.000 0.000 0.298 416 A C -0.403 177.472 177.584 0.485 0.000 1.051 416 A CA -0.757 51.697 52.037 0.694 0.000 0.690 416 A CB 1.720 21.213 19.000 0.821 0.000 1.281 416 A HN 1.081 nan 8.150 nan 0.000 0.402 417 G N 0.326 109.387 108.800 0.435 0.000 2.590 417 G HA2 0.613 4.573 3.960 0.000 0.000 0.310 417 G HA3 0.613 4.573 3.960 0.000 0.000 0.310 417 G C -1.509 173.484 174.900 0.155 0.000 1.347 417 G CA -0.424 44.824 45.100 0.247 0.000 0.963 417 G HN 1.056 nan 8.290 nan 0.000 0.494 418 L N 2.302 123.567 121.223 0.071 0.000 2.307 418 L HA 0.875 5.215 4.340 0.000 0.000 0.284 418 L C 0.131 176.987 176.870 -0.023 0.000 1.023 418 L CA -0.735 54.091 54.840 -0.024 0.000 0.810 418 L CB 1.654 43.628 42.059 -0.142 0.000 1.231 418 L HN 0.694 nan 8.230 nan 0.000 0.423 419 A N 6.399 129.215 122.820 -0.007 0.000 2.331 419 A HA 0.856 5.176 4.320 0.000 0.000 0.320 419 A C -0.603 177.020 177.584 0.064 0.000 1.138 419 A CA -0.604 51.454 52.037 0.035 0.000 0.790 419 A CB 0.875 19.913 19.000 0.064 0.000 1.206 419 A HN 0.837 nan 8.150 nan 0.000 0.470 420 M N 0.776 120.427 119.600 0.086 0.000 2.752 420 M HA 0.852 5.332 4.480 0.000 0.000 0.285 420 M C -0.146 176.233 176.300 0.132 0.000 1.140 420 M CA -0.655 54.737 55.300 0.153 0.000 0.767 420 M CB 2.193 34.903 32.600 0.183 0.000 1.736 420 M HN 0.936 nan 8.290 nan 0.000 0.452 421 A N 0.106 122.999 122.820 0.121 0.000 2.605 421 A HA 0.824 5.144 4.320 0.000 0.000 0.294 421 A C -1.080 176.504 177.584 0.001 0.000 1.062 421 A CA -0.268 51.780 52.037 0.018 0.000 0.682 421 A CB 1.459 20.401 19.000 -0.097 0.000 1.278 421 A HN 0.905 nan 8.150 nan 0.000 0.410 422 S N -0.451 115.222 115.700 -0.045 0.000 2.800 422 S HA 0.555 5.025 4.470 0.000 0.000 0.293 422 S C 0.021 174.585 174.600 -0.061 0.000 1.209 422 S CA 0.304 58.498 58.200 -0.009 0.000 0.884 422 S CB 0.596 63.839 63.200 0.071 0.000 1.244 422 S HN 1.073 nan 8.310 nan 0.000 0.540 423 D N 0.138 120.526 120.400 -0.021 0.000 2.348 423 D HA -0.027 4.613 4.640 0.000 0.000 0.216 423 D C 1.283 177.573 176.300 -0.017 0.000 0.970 423 D CA 0.576 54.546 54.000 -0.050 0.000 0.889 423 D CB -0.249 40.548 40.800 -0.005 0.000 0.912 423 D HN 0.515 nan 8.370 nan 0.000 0.524 424 R N -0.653 119.885 120.500 0.063 0.000 2.206 424 R HA 0.277 4.617 4.340 0.000 0.000 0.198 424 R C 0.148 176.590 176.300 0.237 0.000 0.986 424 R CA 0.131 56.346 56.100 0.192 0.000 1.029 424 R CB 0.941 31.325 30.300 0.141 0.000 0.966 424 R HN 0.121 nan 8.270 nan 0.000 0.487 425 I N 0.790 121.418 120.570 0.097 0.000 2.466 425 I HA 0.339 4.509 4.170 0.000 0.000 0.289 425 I C -0.055 176.070 176.117 0.013 0.000 1.026 425 I CA -1.333 60.027 61.300 0.100 0.000 1.078 425 I CB 1.483 39.517 38.000 0.056 0.000 1.249 425 I HN -0.010 nan 8.210 nan 0.000 0.429 426 A N 5.376 128.231 122.820 0.059 0.000 2.425 426 A HA 0.170 4.490 4.320 0.000 0.000 0.242 426 A C 1.291 178.898 177.584 0.038 0.000 1.077 426 A CA 0.093 52.129 52.037 -0.002 0.000 0.781 426 A CB -0.000 19.037 19.000 0.062 0.000 1.020 426 A HN 0.800 nan 8.150 nan 0.000 0.494 427 H N 0.020 119.165 119.070 0.125 0.000 2.353 427 H HA -0.105 4.451 4.556 0.000 0.000 0.298 427 H C 0.262 175.770 175.328 0.300 0.000 1.103 427 H CA 2.702 58.880 56.048 0.217 0.000 1.293 427 H CB -0.239 29.691 29.762 0.280 0.000 1.372 427 H HN 0.787 nan 8.280 nan 0.000 0.501 428 Y N -2.300 118.073 120.300 0.122 0.000 2.810 428 Y HA 0.382 4.932 4.550 0.000 0.000 0.355 428 Y C -1.485 174.408 175.900 -0.012 0.000 1.211 428 Y CA -1.288 56.818 58.100 0.010 0.000 1.112 428 Y CB 1.327 39.760 38.460 -0.045 0.000 1.383 428 Y HN -0.117 nan 8.280 nan 0.000 0.458 429 E N 2.013 122.055 120.200 -0.263 0.000 2.176 429 E HA 0.628 4.978 4.350 0.000 0.000 0.267 429 E C -1.227 175.094 176.600 -0.466 0.000 0.893 429 E CA -0.848 55.330 56.400 -0.370 0.000 0.761 429 E CB 1.447 31.125 29.700 -0.036 0.000 1.133 429 E HN 0.901 nan 8.360 nan 0.000 0.409 430 C N 2.115 121.011 119.300 -0.673 0.000 2.562 430 C HA 1.082 5.542 4.460 0.000 0.000 0.332 430 C C 0.429 174.943 174.990 -0.794 0.000 1.201 430 C CA -0.046 58.661 59.018 -0.517 0.000 1.803 430 C CB 0.382 27.903 27.740 -0.366 0.000 2.328 430 C HN 0.855 nan 8.230 nan 0.000 0.500 431 G N 1.225 109.571 108.800 -0.757 0.000 2.361 431 G HA2 0.446 4.406 3.960 0.000 0.000 0.299 431 G HA3 0.446 4.406 3.960 0.000 0.000 0.299 431 G C -0.772 173.837 174.900 -0.485 0.000 1.544 431 G CA -0.519 43.872 45.100 -1.182 0.000 0.860 431 G HN 1.108 nan 8.290 nan 0.000 0.610 432 N N -0.971 117.648 118.700 -0.135 0.000 2.708 432 N HA -0.163 4.577 4.740 0.000 0.000 0.249 432 N C 1.646 177.142 175.510 -0.024 0.000 1.097 432 N CA 2.908 55.991 53.050 0.054 0.000 0.710 432 N CB -1.069 37.523 38.487 0.175 0.000 1.032 432 N HN 2.472 nan 8.380 nan 0.000 0.551 433 G N -1.343 107.409 108.800 -0.080 0.000 2.168 433 G HA2 -0.339 3.621 3.960 0.000 0.000 0.263 433 G HA3 -0.339 3.621 3.960 0.000 0.000 0.263 433 G C -0.196 174.652 174.900 -0.086 0.000 0.977 433 G CA 0.830 45.888 45.100 -0.070 0.000 0.659 433 G HN 0.626 nan 8.290 nan 0.000 0.533 434 E N -0.383 119.745 120.200 -0.120 0.000 2.202 434 E HA 0.523 4.873 4.350 0.000 0.000 0.272 434 E C 0.610 177.111 176.600 -0.165 0.000 0.951 434 E CA -0.738 55.600 56.400 -0.104 0.000 0.813 434 E CB 0.889 30.551 29.700 -0.064 0.000 1.151 434 E HN 0.118 nan 8.360 nan 0.000 0.398 435 N N 1.153 119.750 118.700 -0.172 0.000 2.758 435 N HA -0.121 4.619 4.740 0.000 0.000 0.248 435 N C -1.825 173.470 175.510 -0.358 0.000 1.076 435 N CA 0.442 53.329 53.050 -0.271 0.000 0.696 435 N CB -0.510 37.868 38.487 -0.182 0.000 0.979 435 N HN 0.398 nan 8.380 nan 0.000 0.550 436 P HA -0.104 nan 4.420 nan 0.000 0.226 436 P C 0.334 177.203 177.300 -0.718 0.000 1.153 436 P CA 1.063 63.943 63.100 -0.366 0.000 0.777 436 P CB 0.188 31.720 31.700 -0.280 0.000 0.794 437 R N -0.566 119.146 120.500 -1.312 0.000 2.613 437 R HA 0.259 4.599 4.340 0.000 0.000 0.361 437 R C 1.636 176.524 176.300 -2.354 0.000 1.072 437 R CA 0.045 54.729 56.100 -2.359 0.000 1.089 437 R CB 0.123 29.084 30.300 -2.232 0.000 1.343 437 R HN 0.087 nan 8.270 nan 0.000 0.571 438 G N 0.239 108.063 108.800 -1.626 0.000 3.155 438 G HA2 -0.114 3.846 3.960 0.000 0.000 0.213 438 G HA3 -0.114 3.846 3.960 0.000 0.000 0.213 438 G C 0.734 174.952 174.900 -1.137 0.000 1.196 438 G CA -0.352 44.183 45.100 -0.942 0.000 0.846 438 G HN 0.365 nan 8.290 nan 0.000 0.516 439 W N 0.112 120.621 121.300 -1.318 0.000 2.325 439 W HA -0.085 4.575 4.660 0.000 0.000 0.299 439 W C 1.314 177.437 176.519 -0.660 0.000 1.215 439 W CA 0.762 57.292 57.345 -1.359 0.000 1.244 439 W CB -0.626 28.099 29.460 -1.226 0.000 1.140 439 W HN 0.361 nan 8.180 nan 0.000 0.523 440 H N -0.321 118.771 119.070 0.036 0.000 2.520 440 H HA 0.087 4.643 4.556 0.000 0.000 0.284 440 H C 1.966 177.400 175.328 0.177 0.000 1.037 440 H CA 1.221 57.345 56.048 0.126 0.000 1.168 440 H CB -0.578 29.279 29.762 0.158 0.000 1.497 440 H HN 0.067 nan 8.280 nan 0.000 0.547 441 T N -2.517 112.182 114.554 0.241 0.000 3.098 441 T HA -0.030 4.320 4.350 0.000 0.000 0.266 441 T C 1.983 176.820 174.700 0.229 0.000 1.145 441 T CA 0.916 63.163 62.100 0.246 0.000 1.092 441 T CB -0.152 68.820 68.868 0.175 0.000 0.908 441 T HN 0.343 nan 8.240 nan 0.000 0.526 442 G N 0.169 109.133 108.800 0.273 0.000 3.126 442 G HA2 0.491 4.451 3.960 0.000 0.000 0.224 442 G HA3 0.491 4.451 3.960 0.000 0.000 0.224 442 G C 0.944 176.036 174.900 0.320 0.000 1.142 442 G CA 0.032 45.296 45.100 0.273 0.000 0.759 442 G HN 0.632 nan 8.290 nan 0.000 0.550 443 A N 0.427 123.451 122.820 0.339 0.000 2.648 443 A HA 0.536 4.856 4.320 0.000 0.000 0.269 443 A C 1.589 179.393 177.584 0.367 0.000 1.392 443 A CA 0.506 52.748 52.037 0.342 0.000 1.019 443 A CB -0.918 18.251 19.000 0.281 0.000 1.009 443 A HN 1.407 nan 8.150 nan 0.000 0.565 444 G N -0.261 108.770 108.800 0.385 0.000 2.212 444 G HA2 -0.248 3.712 3.960 0.000 0.000 0.255 444 G HA3 -0.248 3.712 3.960 0.000 0.000 0.255 444 G C 0.110 175.241 174.900 0.385 0.000 1.062 444 G CA 0.291 45.695 45.100 0.505 0.000 0.815 444 G HN 0.766 nan 8.290 nan 0.000 0.497 445 M N 0.253 120.002 119.600 0.248 0.000 2.217 445 M HA 0.558 5.038 4.480 0.000 0.000 0.352 445 M C -0.064 176.331 176.300 0.159 0.000 1.376 445 M CA -0.547 54.890 55.300 0.228 0.000 1.107 445 M CB 0.494 33.223 32.600 0.216 0.000 1.723 445 M HN 0.302 nan 8.290 nan 0.000 0.461 446 L N 7.243 128.605 121.223 0.231 0.000 2.295 446 L HA 0.491 4.831 4.340 0.000 0.000 0.281 446 L C -0.360 176.659 176.870 0.247 0.000 1.018 446 L CA 0.011 55.000 54.840 0.249 0.000 0.841 446 L CB 1.258 43.552 42.059 0.391 0.000 1.218 446 L HN 0.802 nan 8.230 nan 0.000 0.424 447 T N 1.972 116.579 114.554 0.087 0.000 2.928 447 T HA 0.753 5.103 4.350 0.000 0.000 0.284 447 T C -0.616 174.068 174.700 -0.027 0.000 1.008 447 T CA -0.628 61.348 62.100 -0.207 0.000 1.057 447 T CB 1.260 69.661 68.868 -0.780 0.000 1.018 447 T HN 0.719 nan 8.240 nan 0.000 0.493 448 W N 0.081 121.151 121.300 -0.382 0.000 3.153 448 W HA 0.542 5.202 4.660 0.000 0.000 0.316 448 W C -2.428 173.877 176.519 -0.356 0.000 1.255 448 W CA -1.572 55.655 57.345 -0.196 0.000 1.192 448 W CB 0.694 30.228 29.460 0.122 0.000 1.400 448 W HN 0.644 nan 8.180 nan 0.000 0.568 449 W N 1.252 122.926 121.300 0.622 0.000 2.883 449 W HA 0.520 5.180 4.660 0.000 0.000 0.335 449 W C -0.468 176.357 176.519 0.510 0.000 1.083 449 W CA -1.294 56.302 57.345 0.419 0.000 1.233 449 W CB 2.444 32.073 29.460 0.281 0.000 1.412 449 W HN 0.618 nan 8.180 nan 0.000 0.490 450 A N 3.704 126.896 122.820 0.620 0.000 2.444 450 A HA 0.224 4.544 4.320 0.000 0.000 0.273 450 A C 0.307 178.125 177.584 0.391 0.000 1.136 450 A CA -0.219 52.087 52.037 0.447 0.000 0.799 450 A CB -0.152 19.031 19.000 0.305 0.000 1.081 450 A HN 0.545 nan 8.150 nan 0.000 0.509 451 N N 1.189 120.101 118.700 0.353 0.000 2.441 451 N HA 0.305 5.045 4.740 0.000 0.000 0.251 451 N C 1.346 176.992 175.510 0.227 0.000 1.242 451 N CA 1.426 54.664 53.050 0.314 0.000 0.898 451 N CB 0.653 39.287 38.487 0.245 0.000 1.100 451 N HN 1.180 nan 8.380 nan 0.000 0.443 452 G N -0.595 108.321 108.800 0.194 0.000 2.184 452 G HA2 -0.287 3.673 3.960 0.000 0.000 0.264 452 G HA3 -0.287 3.673 3.960 0.000 0.000 0.264 452 G C 0.288 175.261 174.900 0.122 0.000 0.975 452 G CA 1.056 46.235 45.100 0.131 0.000 0.642 452 G HN 0.927 nan 8.290 nan 0.000 0.536 453 T N -2.681 111.965 114.554 0.153 0.000 2.950 453 T HA 0.670 5.020 4.350 0.000 0.000 0.288 453 T C 0.359 175.136 174.700 0.128 0.000 1.035 453 T CA -0.034 62.138 62.100 0.120 0.000 1.028 453 T CB 1.988 70.916 68.868 0.101 0.000 1.109 453 T HN 0.670 nan 8.240 nan 0.000 0.514 454 R N 0.828 121.382 120.500 0.089 0.000 2.537 454 R HA 0.265 4.605 4.340 0.000 0.000 0.281 454 R C 0.406 176.799 176.300 0.155 0.000 0.988 454 R CA 0.239 56.391 56.100 0.085 0.000 1.077 454 R CB -0.172 30.156 30.300 0.046 0.000 0.932 454 R HN 0.840 nan 8.270 nan 0.000 0.409 455 A N 4.781 127.718 122.820 0.196 0.000 3.197 455 A HA 0.074 4.394 4.320 0.000 0.000 0.263 455 A C -0.082 177.785 177.584 0.471 0.000 1.524 455 A CA -0.303 51.957 52.037 0.372 0.000 1.176 455 A CB -0.215 18.928 19.000 0.238 0.000 1.096 455 A HN 0.874 nan 8.150 nan 0.000 0.655 456 D N -1.164 119.408 120.400 0.287 0.000 2.440 456 D HA -0.016 4.624 4.640 0.000 0.000 0.216 456 D C 1.202 177.557 176.300 0.092 0.000 1.150 456 D CA -0.054 54.073 54.000 0.213 0.000 0.832 456 D CB -0.045 40.811 40.800 0.093 0.000 0.992 456 D HN 0.313 nan 8.370 nan 0.000 0.502 457 Q N 0.791 120.579 119.800 -0.020 0.000 2.029 457 Q HA -0.247 4.093 4.340 0.000 0.000 0.209 457 Q C 0.737 176.332 176.000 -0.675 0.000 0.999 457 Q CA 1.961 57.469 55.803 -0.492 0.000 0.857 457 Q CB -0.662 27.479 28.738 -0.995 0.000 0.926 457 Q HN 0.481 nan 8.270 nan 0.000 0.415 458 Y N -0.631 119.575 120.300 -0.156 0.000 2.466 458 Y HA 0.217 4.767 4.550 0.000 0.000 0.272 458 Y C 1.731 177.668 175.900 0.061 0.000 1.169 458 Y CA 0.830 58.708 58.100 -0.370 0.000 1.285 458 Y CB 0.241 38.465 38.460 -0.392 0.000 1.078 458 Y HN 0.133 nan 8.280 nan 0.000 0.523 459 T N -1.932 112.769 114.554 0.246 0.000 3.042 459 T HA -0.052 4.298 4.350 0.000 0.000 0.245 459 T C 0.562 175.442 174.700 0.300 0.000 1.029 459 T CA 0.483 62.777 62.100 0.323 0.000 1.120 459 T CB -0.036 69.041 68.868 0.348 0.000 0.917 459 T HN 0.037 nan 8.240 nan 0.000 0.467 460 D N 0.192 120.740 120.400 0.247 0.000 2.713 460 D HA 0.101 4.741 4.640 0.000 0.000 0.229 460 D C -0.834 175.717 176.300 0.418 0.000 1.136 460 D CA -0.673 53.513 54.000 0.311 0.000 1.010 460 D CB -0.811 40.078 40.800 0.149 0.000 1.084 460 D HN 0.293 nan 8.370 nan 0.000 0.495 461 W N 1.083 122.489 121.300 0.177 0.000 4.706 461 W HA -0.299 4.362 4.660 0.000 0.000 0.366 461 W C 0.757 177.266 176.519 -0.016 0.000 1.382 461 W CA -0.034 57.342 57.345 0.051 0.000 0.832 461 W CB -2.702 26.773 29.460 0.024 0.000 2.504 461 W HN 0.395 nan 8.180 nan 0.000 1.403 462 F N -0.752 119.181 119.950 -0.028 0.000 2.094 462 F HA -0.009 4.518 4.527 0.000 0.000 0.291 462 F C 2.154 177.823 175.800 -0.218 0.000 1.109 462 F CA 2.148 60.061 58.000 -0.146 0.000 1.221 462 F CB -0.620 38.114 39.000 -0.443 0.000 1.014 462 F HN -0.074 nan 8.300 nan 0.000 0.473 463 W N 1.459 122.920 121.300 0.268 0.000 2.358 463 W HA -0.091 4.569 4.660 0.000 0.000 0.303 463 W C -0.600 175.765 176.519 -0.257 0.000 1.208 463 W CA 0.921 58.260 57.345 -0.010 0.000 1.274 463 W CB -2.144 27.448 29.460 0.220 0.000 1.138 463 W HN 0.083 nan 8.180 nan 0.000 0.515 464 P HA -0.009 nan 4.420 nan 0.000 0.241 464 P C 1.057 178.303 177.300 -0.091 0.000 1.191 464 P CA 1.809 64.723 63.100 -0.311 0.000 0.771 464 P CB 0.027 31.225 31.700 -0.836 0.000 0.929 465 T N -4.709 109.788 114.554 -0.096 0.000 2.959 465 T HA 0.137 4.487 4.350 0.000 0.000 0.254 465 T C 0.679 175.101 174.700 -0.463 0.000 1.003 465 T CA -0.131 61.925 62.100 -0.072 0.000 0.950 465 T CB -0.609 68.380 68.868 0.202 0.000 1.090 465 T HN -0.134 nan 8.240 nan 0.000 0.503 466 V N 2.819 122.248 119.914 -0.808 0.000 2.963 466 V HA 0.233 4.353 4.120 0.000 0.000 0.306 466 V C -0.033 175.411 176.094 -1.083 0.000 1.077 466 V CA -0.247 61.122 62.300 -1.551 0.000 1.124 466 V CB 0.842 31.672 31.823 -1.654 0.000 0.987 466 V HN 0.491 nan 8.190 nan 0.000 0.487 467 D N 4.827 124.631 120.400 -0.994 0.000 2.344 467 D HA 0.056 4.696 4.640 0.000 0.000 0.253 467 D C 0.408 176.516 176.300 -0.320 0.000 1.255 467 D CA 0.028 53.748 54.000 -0.467 0.000 0.894 467 D CB 0.380 40.938 40.800 -0.404 0.000 1.067 467 D HN 0.621 nan 8.370 nan 0.000 0.492 468 W N 2.672 123.903 121.300 -0.116 0.000 2.721 468 W HA -0.065 4.595 4.660 0.000 0.000 0.245 468 W C 1.023 177.537 176.519 -0.008 0.000 1.276 468 W CA -0.083 57.193 57.345 -0.114 0.000 1.342 468 W CB -0.179 29.088 29.460 -0.321 0.000 1.135 468 W HN 0.559 nan 8.180 nan 0.000 0.654 469 Y N -0.880 119.596 120.300 0.293 0.000 2.462 469 Y HA 0.195 4.745 4.550 0.000 0.000 0.261 469 Y C 1.166 177.090 175.900 0.041 0.000 1.146 469 Y CA 0.542 58.799 58.100 0.261 0.000 1.283 469 Y CB 0.114 38.645 38.460 0.119 0.000 1.090 469 Y HN -0.283 nan 8.280 nan 0.000 0.526 470 R N 0.928 121.463 120.500 0.059 0.000 2.835 470 R HA 0.318 4.658 4.340 0.000 0.000 0.290 470 R C -1.161 175.112 176.300 -0.045 0.000 1.410 470 R CA -0.185 55.879 56.100 -0.060 0.000 1.590 470 R CB 0.232 30.412 30.300 -0.201 0.000 1.288 470 R HN 0.110 nan 8.270 nan 0.000 0.637 471 L N 2.861 124.121 121.223 0.061 0.000 2.397 471 L HA 0.315 4.655 4.340 0.000 0.000 0.271 471 L C -1.778 175.185 176.870 0.154 0.000 1.148 471 L CA -2.009 52.906 54.840 0.125 0.000 0.825 471 L CB 0.572 42.772 42.059 0.234 0.000 1.117 471 L HN 0.034 nan 8.230 nan 0.000 0.456 472 P HA -0.033 nan 4.420 nan 0.000 0.262 472 P C 0.781 178.248 177.300 0.277 0.000 1.182 472 P CA 0.784 64.014 63.100 0.215 0.000 0.761 472 P CB 0.760 32.602 31.700 0.237 0.000 0.795 473 G N 2.158 111.140 108.800 0.304 0.000 2.205 473 G HA2 -0.250 3.710 3.960 0.000 0.000 0.261 473 G HA3 -0.250 3.710 3.960 0.000 0.000 0.261 473 G C 0.376 175.515 174.900 0.398 0.000 0.980 473 G CA 0.557 45.918 45.100 0.436 0.000 0.632 473 G HN 0.875 nan 8.290 nan 0.000 0.533 474 T N -1.112 113.611 114.554 0.282 0.000 2.868 474 T HA 0.581 4.931 4.350 0.000 0.000 0.292 474 T C 0.057 174.870 174.700 0.189 0.000 1.028 474 T CA 0.591 62.844 62.100 0.255 0.000 1.059 474 T CB 1.978 70.962 68.868 0.193 0.000 0.991 474 T HN 0.346 nan 8.240 nan 0.000 0.531 475 T N 2.091 116.760 114.554 0.191 0.000 2.786 475 T HA 0.610 4.960 4.350 0.000 0.000 0.283 475 T C -0.356 174.375 174.700 0.051 0.000 0.992 475 T CA -0.663 61.533 62.100 0.160 0.000 0.954 475 T CB 0.883 69.887 68.868 0.227 0.000 0.934 475 T HN 0.993 nan 8.240 nan 0.000 0.440 476 V N 0.705 120.613 119.914 -0.010 0.000 2.888 476 V HA 0.778 4.898 4.120 0.000 0.000 0.309 476 V C 0.131 176.190 176.094 -0.059 0.000 1.114 476 V CA -1.097 61.111 62.300 -0.154 0.000 0.940 476 V CB 1.807 33.361 31.823 -0.448 0.000 1.021 476 V HN 0.764 nan 8.190 nan 0.000 0.426 477 S N 2.083 117.755 115.700 -0.046 0.000 2.560 477 S HA 0.114 4.584 4.470 0.000 0.000 0.284 477 S C 1.168 175.765 174.600 -0.005 0.000 1.327 477 S CA 0.785 58.977 58.200 -0.013 0.000 1.055 477 S CB 0.910 64.106 63.200 -0.007 0.000 0.868 477 S HN 1.091 nan 8.310 nan 0.000 0.506 478 T N 3.572 118.114 114.554 -0.021 0.000 3.160 478 T HA 0.031 4.381 4.350 0.000 0.000 0.257 478 T C 0.755 175.400 174.700 -0.092 0.000 1.147 478 T CA 0.291 62.356 62.100 -0.058 0.000 1.064 478 T CB -0.363 68.448 68.868 -0.096 0.000 0.949 478 T HN 0.642 nan 8.240 nan 0.000 0.526 479 K N 2.397 122.770 120.400 -0.045 0.000 2.524 479 K HA -0.018 4.302 4.320 0.000 0.000 0.279 479 K C 0.317 176.879 176.600 -0.064 0.000 0.993 479 K CA -0.206 56.041 56.287 -0.067 0.000 1.030 479 K CB 0.368 32.837 32.500 -0.051 0.000 0.891 479 K HN 0.201 nan 8.250 nan 0.000 0.488 480 R N 4.392 124.820 120.500 -0.120 0.000 2.537 480 R HA 0.127 4.467 4.340 0.000 0.000 0.280 480 R C -0.775 175.442 176.300 -0.138 0.000 1.058 480 R CA -0.089 55.947 56.100 -0.105 0.000 1.057 480 R CB 0.340 30.572 30.300 -0.112 0.000 0.973 480 R HN 0.538 nan 8.270 nan 0.000 0.438 481 L N 3.414 124.484 121.223 -0.255 0.000 2.342 481 L HA 0.583 4.923 4.340 0.000 0.000 0.271 481 L C 0.035 176.709 176.870 -0.327 0.000 1.008 481 L CA -1.195 53.293 54.840 -0.586 0.000 0.818 481 L CB 1.956 43.123 42.059 -1.486 0.000 1.296 481 L HN 0.786 nan 8.230 nan 0.000 0.427 482 A N 0.676 123.388 122.820 -0.180 0.000 2.351 482 A HA 0.273 4.593 4.320 0.000 0.000 0.257 482 A C -0.519 177.201 177.584 0.227 0.000 1.087 482 A CA -0.493 51.557 52.037 0.021 0.000 0.798 482 A CB 0.047 19.052 19.000 0.007 0.000 1.033 482 A HN 0.702 nan 8.150 nan 0.000 0.488 483 D N 0.976 121.516 120.400 0.234 0.000 2.525 483 D HA 0.175 4.815 4.640 0.000 0.000 0.235 483 D C 0.784 177.187 176.300 0.171 0.000 1.137 483 D CA 1.057 55.170 54.000 0.189 0.000 0.868 483 D CB 0.105 40.934 40.800 0.048 0.000 1.180 483 D HN 0.575 nan 8.370 nan 0.000 0.465 484 R N -0.314 120.293 120.500 0.179 0.000 4.000 484 R HA -0.212 4.128 4.340 0.000 0.000 0.362 484 R C 0.063 176.491 176.300 0.213 0.000 1.183 484 R CA 0.715 56.903 56.100 0.147 0.000 1.011 484 R CB -2.271 28.025 30.300 -0.006 0.000 1.501 484 R HN 0.483 nan 8.270 nan 0.000 0.553 485 A N 0.727 123.736 122.820 0.315 0.000 2.584 485 A HA 0.358 4.678 4.320 0.000 0.000 0.239 485 A C 1.739 179.455 177.584 0.220 0.000 1.043 485 A CA 1.345 53.481 52.037 0.164 0.000 0.756 485 A CB -0.052 18.912 19.000 -0.060 0.000 0.963 485 A HN 1.060 nan 8.150 nan 0.000 0.511 486 G N 1.056 109.916 108.800 0.099 0.000 2.241 486 G HA2 0.318 4.278 3.960 0.000 0.000 0.244 486 G HA3 0.318 4.278 3.960 0.000 0.000 0.244 486 G C 1.587 176.511 174.900 0.040 0.000 0.998 486 G CA 0.665 45.820 45.100 0.091 0.000 0.621 486 G HN 3.222 nan 8.290 nan 0.000 0.519 487 G N -1.062 107.746 108.800 0.012 0.000 2.612 487 G HA2 0.333 4.293 3.960 0.000 0.000 0.686 487 G HA3 0.333 4.293 3.960 0.000 0.000 0.686 487 G C -0.603 174.200 174.900 -0.162 0.000 1.274 487 G CA 0.263 45.337 45.100 -0.043 0.000 0.849 487 G HN 0.931 nan 8.290 nan 0.000 0.595 488 E N -0.972 119.115 120.200 -0.188 0.000 2.254 488 E HA 0.540 4.890 4.350 0.000 0.000 0.258 488 E C -0.175 176.259 176.600 -0.277 0.000 1.033 488 E CA -0.515 55.613 56.400 -0.453 0.000 0.893 488 E CB 0.819 30.110 29.700 -0.682 0.000 1.204 488 E HN 0.823 nan 8.360 nan 0.000 0.425 489 W N 0.065 121.321 121.300 -0.073 0.000 4.849 489 W HA -0.220 4.440 4.660 0.000 0.000 0.358 489 W C 1.002 177.596 176.519 0.125 0.000 1.331 489 W CA 0.179 57.527 57.345 0.006 0.000 0.844 489 W CB -1.892 27.532 29.460 -0.060 0.000 2.434 489 W HN 0.936 nan 8.180 nan 0.000 1.458 490 G N -1.475 107.405 108.800 0.133 0.000 2.143 490 G HA2 -0.109 3.851 3.960 0.000 0.000 0.248 490 G HA3 -0.109 3.851 3.960 0.000 0.000 0.248 490 G C 1.214 176.163 174.900 0.082 0.000 0.991 490 G CA 0.611 45.808 45.100 0.162 0.000 0.689 490 G HN 1.317 nan 8.290 nan 0.000 0.522 491 A N 0.351 123.198 122.820 0.046 0.000 1.917 491 A HA 0.122 4.442 4.320 0.000 0.000 0.219 491 A C -0.245 177.253 177.584 -0.143 0.000 1.182 491 A CA 2.023 54.032 52.037 -0.046 0.000 0.633 491 A CB -0.851 18.159 19.000 0.016 0.000 0.819 491 A HN 0.576 nan 8.150 nan 0.000 0.448 492 P HA 0.410 nan 4.420 nan 0.000 0.287 492 P C -1.090 176.231 177.300 0.035 0.000 1.307 492 P CA 0.119 63.251 63.100 0.054 0.000 0.777 492 P CB 1.003 32.835 31.700 0.219 0.000 0.883 493 K N 4.592 124.936 120.400 -0.093 0.000 2.471 493 K HA 0.429 4.750 4.320 0.000 0.000 0.252 493 K C -2.445 174.052 176.600 -0.172 0.000 0.938 493 K CA -2.218 53.917 56.287 -0.252 0.000 0.796 493 K CB 2.016 34.309 32.500 -0.345 0.000 1.161 493 K HN 0.327 nan 8.250 nan 0.000 0.425 494 P HA -0.047 nan 4.420 nan 0.000 0.268 494 P C -0.624 176.628 177.300 -0.081 0.000 1.205 494 P CA -0.057 63.002 63.100 -0.067 0.000 0.771 494 P CB 0.604 32.239 31.700 -0.108 0.000 0.858 495 D N 2.659 123.028 120.400 -0.051 0.000 2.688 495 D HA 0.221 4.861 4.640 0.000 0.000 0.228 495 D C -0.185 176.071 176.300 -0.073 0.000 1.116 495 D CA -0.221 53.748 54.000 -0.051 0.000 1.023 495 D CB -0.779 40.005 40.800 -0.027 0.000 1.100 495 D HN 0.150 nan 8.370 nan 0.000 0.487 496 V N -0.458 119.417 119.914 -0.066 0.000 3.159 496 V HA 0.630 4.750 4.120 0.000 0.000 0.308 496 V C 0.594 176.742 176.094 0.090 0.000 1.190 496 V CA -0.957 61.309 62.300 -0.056 0.000 1.037 496 V CB 2.094 33.791 31.823 -0.210 0.000 1.060 496 V HN 0.067 nan 8.190 nan 0.000 0.437 497 R N 0.412 121.044 120.500 0.221 0.000 2.276 497 R HA 0.306 4.646 4.340 0.000 0.000 0.195 497 R C 0.225 176.733 176.300 0.345 0.000 0.908 497 R CA 0.071 56.311 56.100 0.234 0.000 1.083 497 R CB 0.539 30.962 30.300 0.205 0.000 1.182 497 R HN 0.790 nan 8.270 nan 0.000 0.608 498 W N 2.453 123.938 121.300 0.310 0.000 2.290 498 W HA 0.333 4.993 4.660 0.000 0.000 0.408 498 W C -1.096 175.661 176.519 0.397 0.000 0.966 498 W CA -0.107 57.455 57.345 0.361 0.000 1.579 498 W CB 0.509 30.273 29.460 0.506 0.000 1.662 498 W HN -0.263 nan 8.180 nan 0.000 0.341 499 V N 5.815 126.123 119.914 0.658 0.000 2.610 499 V HA 0.856 4.976 4.120 0.000 0.000 0.298 499 V C 0.245 176.526 176.094 0.311 0.000 1.067 499 V CA -0.261 62.380 62.300 0.568 0.000 0.894 499 V CB 0.943 32.983 31.823 0.362 0.000 1.015 499 V HN 0.654 nan 8.190 nan 0.000 0.432 500 G N 2.832 111.845 108.800 0.355 0.000 2.350 500 G HA2 0.684 4.644 3.960 0.000 0.000 0.276 500 G HA3 0.684 4.644 3.960 0.000 0.000 0.276 500 G C -0.419 174.593 174.900 0.187 0.000 1.313 500 G CA 0.573 45.752 45.100 0.132 0.000 0.903 500 G HN 1.591 nan 8.290 nan 0.000 0.490 501 G N -1.821 107.005 108.800 0.044 0.000 2.342 501 G HA2 0.842 4.802 3.960 0.000 0.000 0.297 501 G HA3 0.842 4.802 3.960 0.000 0.000 0.297 501 G C -1.184 173.726 174.900 0.016 0.000 1.313 501 G CA 0.740 45.894 45.100 0.090 0.000 0.830 501 G HN 2.203 nan 8.290 nan 0.000 0.506 502 A N -0.692 122.149 122.820 0.035 0.000 2.393 502 A HA 0.936 5.256 4.320 0.000 0.000 0.306 502 A C -0.381 177.195 177.584 -0.014 0.000 1.050 502 A CA -0.007 52.033 52.037 0.005 0.000 0.724 502 A CB 2.118 21.133 19.000 0.025 0.000 1.248 502 A HN 1.649 nan 8.150 nan 0.000 0.424 503 T N -0.092 114.437 114.554 -0.041 0.000 2.900 503 T HA 0.501 4.851 4.350 0.000 0.000 0.303 503 T C -0.895 173.774 174.700 -0.052 0.000 1.142 503 T CA -0.026 62.033 62.100 -0.069 0.000 1.007 503 T CB 1.393 70.210 68.868 -0.085 0.000 1.156 503 T HN 0.702 nan 8.240 nan 0.000 0.490 504 D N 0.951 121.323 120.400 -0.048 0.000 2.388 504 D HA 0.309 4.949 4.640 0.000 0.000 0.221 504 D C 1.447 177.693 176.300 -0.090 0.000 1.133 504 D CA 0.495 54.462 54.000 -0.055 0.000 0.831 504 D CB -0.241 40.540 40.800 -0.032 0.000 0.962 504 D HN 1.057 nan 8.370 nan 0.000 0.502 505 G N 0.455 109.189 108.800 -0.109 0.000 2.241 505 G HA2 -0.375 3.585 3.960 0.000 0.000 0.244 505 G HA3 -0.375 3.585 3.960 0.000 0.000 0.244 505 G C 0.792 175.580 174.900 -0.187 0.000 0.998 505 G CA 0.488 45.488 45.100 -0.167 0.000 0.621 505 G HN 0.502 nan 8.290 nan 0.000 0.519 506 E N -1.720 118.357 120.200 -0.205 0.000 2.564 506 E HA 0.365 4.715 4.350 0.000 0.000 0.203 506 E C 0.047 176.421 176.600 -0.376 0.000 0.867 506 E CA -0.301 55.872 56.400 -0.379 0.000 1.250 506 E CB 0.584 29.922 29.700 -0.603 0.000 1.215 506 E HN 0.385 nan 8.360 nan 0.000 0.566 507 Y N -0.014 120.342 120.300 0.093 0.000 2.602 507 Y HA 0.762 5.312 4.550 0.000 0.000 0.330 507 Y C -0.146 175.694 175.900 -0.099 0.000 1.114 507 Y CA -0.871 57.286 58.100 0.095 0.000 1.182 507 Y CB 2.037 40.564 38.460 0.112 0.000 1.305 507 Y HN 0.092 nan 8.280 nan 0.000 0.502 508 A N 0.328 123.173 122.820 0.042 0.000 2.574 508 A HA 0.844 5.164 4.320 0.000 0.000 0.297 508 A C -1.713 175.953 177.584 0.137 0.000 1.062 508 A CA -0.527 51.429 52.037 -0.134 0.000 0.686 508 A CB 0.867 19.347 19.000 -0.867 0.000 1.285 508 A HN 0.967 nan 8.150 nan 0.000 0.403 509 A N 1.132 124.032 122.820 0.134 0.000 2.271 509 A HA 0.686 5.006 4.320 0.000 0.000 0.317 509 A C -0.683 176.956 177.584 0.092 0.000 1.245 509 A CA -0.408 51.700 52.037 0.118 0.000 0.857 509 A CB 0.472 19.609 19.000 0.230 0.000 1.175 509 A HN 1.400 nan 8.150 nan 0.000 0.512 510 V N 1.752 121.719 119.914 0.089 0.000 2.656 510 V HA 0.832 4.952 4.120 0.000 0.000 0.307 510 V C 0.517 176.829 176.094 0.364 0.000 1.051 510 V CA -0.132 62.358 62.300 0.316 0.000 0.893 510 V CB 2.161 34.265 31.823 0.468 0.000 0.999 510 V HN 1.201 nan 8.190 nan 0.000 0.426 511 G N 2.473 111.573 108.800 0.499 0.000 2.662 511 G HA2 0.639 4.599 3.960 0.000 0.000 0.302 511 G HA3 0.639 4.599 3.960 0.000 0.000 0.302 511 G C -1.506 173.830 174.900 0.727 0.000 1.389 511 G CA -0.449 44.906 45.100 0.425 0.000 0.998 511 G HN 0.589 nan 8.290 nan 0.000 0.502 512 Q N 0.733 120.968 119.800 0.724 0.000 2.325 512 Q HA 0.254 4.595 4.340 0.000 0.000 0.270 512 Q C -1.038 175.200 176.000 0.397 0.000 1.020 512 Q CA -0.746 55.438 55.803 0.635 0.000 0.785 512 Q CB 1.299 30.407 28.738 0.617 0.000 1.259 512 Q HN 0.821 nan 8.270 nan 0.000 0.452 513 H N 5.074 124.297 119.070 0.255 0.000 2.934 513 H HA 0.215 4.771 4.556 0.000 0.000 0.273 513 H C -1.067 174.284 175.328 0.038 0.000 1.121 513 H CA -0.597 55.396 56.048 -0.092 0.000 1.451 513 H CB 0.590 30.380 29.762 0.046 0.000 1.469 513 H HN 0.445 nan 8.280 nan 0.000 0.476 514 L N 5.763 127.056 121.223 0.118 0.000 2.289 514 L HA 0.327 4.667 4.340 0.000 0.000 0.285 514 L C -0.975 175.910 176.870 0.026 0.000 1.049 514 L CA -0.308 54.592 54.840 0.100 0.000 0.804 514 L CB 1.080 43.224 42.059 0.141 0.000 1.195 514 L HN 0.559 nan 8.230 nan 0.000 0.428 515 K N 4.141 124.566 120.400 0.042 0.000 2.358 515 K HA 0.567 4.887 4.320 0.000 0.000 0.260 515 K C -0.091 176.600 176.600 0.151 0.000 0.956 515 K CA -0.698 55.621 56.287 0.053 0.000 0.834 515 K CB 1.577 34.077 32.500 -0.000 0.000 1.102 515 K HN 0.873 nan 8.250 nan 0.000 0.431 516 G N 2.243 111.093 108.800 0.083 0.000 2.544 516 G HA2 0.096 4.056 3.960 0.000 0.000 0.242 516 G HA3 0.096 4.056 3.960 0.000 0.000 0.242 516 G C -0.316 174.558 174.900 -0.043 0.000 1.247 516 G CA -0.541 44.593 45.100 0.055 0.000 0.840 516 G HN 0.607 nan 8.290 nan 0.000 0.578 517 L N 1.670 122.748 121.223 -0.241 0.000 2.462 517 L HA 0.437 4.777 4.340 0.000 0.000 0.272 517 L C 1.370 178.141 176.870 -0.165 0.000 1.166 517 L CA 1.152 55.761 54.840 -0.385 0.000 0.880 517 L CB 0.420 42.153 42.059 -0.544 0.000 1.142 517 L HN 1.139 nan 8.230 nan 0.000 0.473 518 G N 2.732 111.469 108.800 -0.106 0.000 2.249 518 G HA2 -0.287 3.673 3.960 0.000 0.000 0.273 518 G HA3 -0.287 3.673 3.960 0.000 0.000 0.273 518 G C 0.067 174.923 174.900 -0.073 0.000 1.036 518 G CA 0.519 45.563 45.100 -0.094 0.000 0.824 518 G HN 0.959 nan 8.290 nan 0.000 0.504 519 S N -2.260 113.414 115.700 -0.042 0.000 2.618 519 S HA 0.744 5.214 4.470 0.000 0.000 0.277 519 S C 1.275 175.868 174.600 -0.013 0.000 1.138 519 S CA 0.922 59.106 58.200 -0.028 0.000 0.844 519 S CB 1.258 64.448 63.200 -0.016 0.000 1.127 519 S HN 1.111 nan 8.310 nan 0.000 0.474 520 T N 0.849 115.396 114.554 -0.012 0.000 3.081 520 T HA 0.202 4.552 4.350 0.000 0.000 0.250 520 T C 0.847 175.545 174.700 -0.004 0.000 1.100 520 T CA -0.053 62.043 62.100 -0.007 0.000 1.038 520 T CB -0.449 68.413 68.868 -0.010 0.000 0.962 520 T HN 0.462 nan 8.240 nan 0.000 0.516 521 L N 2.421 123.642 121.223 -0.003 0.000 2.653 521 L HA 0.179 4.519 4.340 0.000 0.000 0.288 521 L C 0.124 176.995 176.870 0.003 0.000 1.243 521 L CA 0.689 55.528 54.840 -0.001 0.000 0.906 521 L CB -0.243 41.819 42.059 0.006 0.000 1.154 521 L HN 0.429 nan 8.230 nan 0.000 0.498 522 E N 3.612 123.806 120.200 -0.010 0.000 2.317 522 E HA 0.837 5.187 4.350 0.000 0.000 0.270 522 E C -1.717 174.854 176.600 -0.047 0.000 0.885 522 E CA -0.594 55.803 56.400 -0.005 0.000 0.760 522 E CB 1.797 31.502 29.700 0.008 0.000 1.227 522 E HN 0.885 nan 8.360 nan 0.000 0.434 523 A N 3.001 125.784 122.820 -0.061 0.000 2.594 523 A HA 0.565 4.885 4.320 0.000 0.000 0.296 523 A C -1.675 175.739 177.584 -0.283 0.000 1.056 523 A CA -0.873 51.069 52.037 -0.158 0.000 0.693 523 A CB 1.517 20.468 19.000 -0.081 0.000 1.278 523 A HN 0.459 nan 8.150 nan 0.000 0.408 524 R N 1.512 121.719 120.500 -0.488 0.000 2.343 524 R HA 0.524 4.864 4.340 0.000 0.000 0.320 524 R C -1.047 174.987 176.300 -0.443 0.000 0.956 524 R CA -0.272 55.355 56.100 -0.787 0.000 0.836 524 R CB 1.474 30.957 30.300 -1.362 0.000 1.151 524 R HN 0.691 nan 8.270 nan 0.000 0.450 525 K N 1.059 121.295 120.400 -0.274 0.000 2.270 525 K HA 0.486 4.806 4.320 0.000 0.000 0.255 525 K C -0.543 175.787 176.600 -0.449 0.000 0.936 525 K CA -0.425 55.629 56.287 -0.389 0.000 0.809 525 K CB 2.316 34.616 32.500 -0.335 0.000 1.131 525 K HN 0.365 nan 8.250 nan 0.000 0.427 526 S N 1.377 116.663 115.700 -0.689 0.000 2.548 526 S HA 0.554 5.024 4.470 0.000 0.000 0.286 526 S C -1.484 172.557 174.600 -0.933 0.000 1.098 526 S CA -0.849 56.975 58.200 -0.627 0.000 0.930 526 S CB 1.080 64.009 63.200 -0.453 0.000 1.070 526 S HN 0.426 nan 8.310 nan 0.000 0.480 527 W N 2.006 122.953 121.300 -0.589 0.000 2.839 527 W HA 0.477 5.137 4.660 0.000 0.000 0.334 527 W C -1.931 174.047 176.519 -0.902 0.000 1.064 527 W CA -0.721 56.251 57.345 -0.622 0.000 1.236 527 W CB 1.364 30.530 29.460 -0.489 0.000 1.405 527 W HN 0.520 nan 8.180 nan 0.000 0.478 528 F N 2.657 122.520 119.950 -0.145 0.000 2.403 528 F HA 0.373 4.900 4.527 0.000 0.000 0.355 528 F C -0.369 175.334 175.800 -0.161 0.000 1.119 528 F CA -0.774 57.173 58.000 -0.089 0.000 1.007 528 F CB 0.591 39.542 39.000 -0.083 0.000 1.194 528 F HN -0.007 nan 8.300 nan 0.000 0.443 529 F N 4.775 124.786 119.950 0.102 0.000 2.390 529 F HA 0.498 5.025 4.527 0.000 0.000 0.361 529 F C 0.221 176.082 175.800 0.101 0.000 1.124 529 F CA -0.304 57.627 58.000 -0.114 0.000 1.149 529 F CB 0.398 39.032 39.000 -0.611 0.000 1.160 529 F HN 0.289 nan 8.300 nan 0.000 0.501 530 L N 2.135 123.597 121.223 0.398 0.000 2.670 530 L HA 0.367 4.707 4.340 0.000 0.000 0.251 530 L C 1.404 178.606 176.870 0.553 0.000 1.548 530 L CA -0.812 54.215 54.840 0.311 0.000 1.643 530 L CB 0.544 42.711 42.059 0.179 0.000 2.174 530 L HN 0.411 nan 8.230 nan 0.000 0.585 531 D N -0.605 119.970 120.400 0.292 0.000 2.213 531 D HA -0.132 4.508 4.640 0.000 0.000 0.205 531 D C 0.314 176.796 176.300 0.303 0.000 0.961 531 D CA 1.160 55.372 54.000 0.353 0.000 0.853 531 D CB 0.009 40.935 40.800 0.211 0.000 0.967 531 D HN 0.692 nan 8.370 nan 0.000 0.496 532 D N -0.146 120.435 120.400 0.302 0.000 2.651 532 D HA 0.443 5.083 4.640 0.000 0.000 0.280 532 D C -0.241 176.252 176.300 0.322 0.000 1.496 532 D CA -0.624 53.584 54.000 0.347 0.000 0.792 532 D CB 0.371 41.246 40.800 0.125 0.000 1.144 532 D HN 0.293 nan 8.370 nan 0.000 0.470 533 A N -0.593 122.459 122.820 0.387 0.000 2.601 533 A HA 0.660 4.980 4.320 0.000 0.000 0.291 533 A C -1.757 175.982 177.584 0.260 0.000 1.075 533 A CA -0.739 51.396 52.037 0.164 0.000 0.671 533 A CB 1.657 20.733 19.000 0.127 0.000 1.277 533 A HN 0.150 nan 8.150 nan 0.000 0.417 534 V N 1.058 121.013 119.914 0.068 0.000 2.378 534 V HA 0.476 4.596 4.120 0.000 0.000 0.288 534 V C -0.340 175.752 176.094 -0.002 0.000 1.016 534 V CA -0.638 61.645 62.300 -0.028 0.000 0.840 534 V CB 1.345 33.077 31.823 -0.151 0.000 0.994 534 V HN 0.683 nan 8.190 nan 0.000 0.431 535 V N 4.136 124.074 119.914 0.041 0.000 2.406 535 V HA 0.287 4.407 4.120 0.000 0.000 0.272 535 V C 0.026 176.097 176.094 -0.038 0.000 1.043 535 V CA -0.187 62.144 62.300 0.051 0.000 0.915 535 V CB 1.225 33.099 31.823 0.085 0.000 0.988 535 V HN 1.019 nan 8.190 nan 0.000 0.466 536 C N 7.019 126.169 119.300 -0.249 0.000 2.298 536 C HA 0.713 5.173 4.460 0.000 0.000 0.323 536 C C -0.260 174.621 174.990 -0.182 0.000 1.284 536 C CA -0.884 57.882 59.018 -0.419 0.000 1.577 536 C CB 0.388 27.603 27.740 -0.875 0.000 2.249 536 C HN 0.601 nan 8.230 nan 0.000 0.497 537 L N 3.077 124.173 121.223 -0.212 0.000 2.346 537 L HA 0.843 5.183 4.340 0.000 0.000 0.276 537 L C 0.499 176.962 176.870 -0.680 0.000 1.006 537 L CA 0.271 54.941 54.840 -0.283 0.000 0.817 537 L CB 1.646 43.643 42.059 -0.104 0.000 1.272 537 L HN 0.895 nan 8.230 nan 0.000 0.421 538 G N 1.419 109.422 108.800 -1.328 0.000 2.591 538 G HA2 0.882 4.842 3.960 0.000 0.000 0.306 538 G HA3 0.882 4.842 3.960 0.000 0.000 0.306 538 G C -1.656 172.782 174.900 -0.769 0.000 1.334 538 G CA -0.104 44.184 45.100 -1.353 0.000 0.981 538 G HN 0.861 nan 8.290 nan 0.000 0.491 539 A N -0.119 122.393 122.820 -0.513 0.000 2.599 539 A HA 0.876 5.196 4.320 0.000 0.000 0.290 539 A C 0.644 178.019 177.584 -0.349 0.000 1.101 539 A CA 0.194 52.010 52.037 -0.369 0.000 0.674 539 A CB 0.874 19.708 19.000 -0.277 0.000 1.277 539 A HN 2.594 nan 8.150 nan 0.000 0.419 540 G N -0.485 108.152 108.800 -0.272 0.000 2.221 540 G HA2 -0.171 3.789 3.960 0.000 0.000 0.265 540 G HA3 -0.171 3.789 3.960 0.000 0.000 0.265 540 G C -0.037 174.732 174.900 -0.219 0.000 1.041 540 G CA 0.506 45.459 45.100 -0.245 0.000 0.807 540 G HN 1.002 nan 8.290 nan 0.000 0.502 541 I N 1.434 121.870 120.570 -0.223 0.000 2.379 541 I HA 0.382 4.552 4.170 0.000 0.000 0.290 541 I C 0.316 176.348 176.117 -0.141 0.000 1.063 541 I CA 0.297 61.474 61.300 -0.205 0.000 1.351 541 I CB 1.074 38.882 38.000 -0.320 0.000 1.410 541 I HN 0.063 nan 8.210 nan 0.000 0.505 542 T N 5.068 119.565 114.554 -0.096 0.000 2.971 542 T HA 0.393 4.743 4.350 0.000 0.000 0.304 542 T C -1.247 173.430 174.700 -0.038 0.000 1.038 542 T CA -0.433 61.630 62.100 -0.062 0.000 1.007 542 T CB 1.705 70.536 68.868 -0.061 0.000 1.055 542 T HN 0.621 nan 8.240 nan 0.000 0.451 543 C N 2.167 121.453 119.300 -0.025 0.000 3.086 543 C HA 0.833 5.293 4.460 0.000 0.000 0.311 543 C C -0.079 174.904 174.990 -0.012 0.000 1.260 543 C CA -0.253 58.756 59.018 -0.014 0.000 1.426 543 C CB 0.864 28.600 27.740 -0.006 0.000 1.826 543 C HN 1.056 nan 8.230 nan 0.000 0.474 544 A N 2.559 125.371 122.820 -0.012 0.000 2.610 544 A HA 0.328 4.648 4.320 0.000 0.000 0.290 544 A C 0.494 178.069 177.584 -0.014 0.000 1.001 544 A CA 0.076 52.106 52.037 -0.012 0.000 1.004 544 A CB -0.190 18.803 19.000 -0.011 0.000 1.220 544 A HN 0.834 nan 8.150 nan 0.000 0.507 545 D N 0.027 120.418 120.400 -0.015 0.000 2.323 545 D HA 0.170 4.810 4.640 0.000 0.000 0.209 545 D C 1.649 177.936 176.300 -0.023 0.000 0.973 545 D CA 1.677 55.664 54.000 -0.021 0.000 0.874 545 D CB 0.302 41.088 40.800 -0.024 0.000 0.930 545 D HN 0.768 nan 8.370 nan 0.000 0.521 546 G N 0.250 109.039 108.800 -0.018 0.000 2.157 546 G HA2 -0.217 3.743 3.960 0.000 0.000 0.248 546 G HA3 -0.217 3.743 3.960 0.000 0.000 0.248 546 G C 0.416 175.302 174.900 -0.022 0.000 0.979 546 G CA 0.642 45.730 45.100 -0.019 0.000 0.650 546 G HN 0.517 nan 8.290 nan 0.000 0.529 547 V N -4.018 115.882 119.914 -0.023 0.000 3.141 547 V HA 0.954 5.074 4.120 0.000 0.000 0.312 547 V C -2.573 173.512 176.094 -0.014 0.000 1.157 547 V CA -2.755 59.528 62.300 -0.028 0.000 1.041 547 V CB 1.854 33.649 31.823 -0.047 0.000 1.071 547 V HN 0.012 nan 8.190 nan 0.000 0.441 548 P HA 0.298 nan 4.420 nan 0.000 0.267 548 P C -0.844 176.465 177.300 0.015 0.000 1.200 548 P CA 0.085 63.189 63.100 0.007 0.000 0.772 548 P CB 0.638 32.337 31.700 -0.002 0.000 0.855 549 V N 3.241 123.194 119.914 0.065 0.000 2.448 549 V HA 0.327 4.447 4.120 0.000 0.000 0.295 549 V C 0.166 176.366 176.094 0.177 0.000 1.025 549 V CA -0.354 62.010 62.300 0.106 0.000 0.859 549 V CB 1.438 33.337 31.823 0.126 0.000 0.988 549 V HN 0.509 nan 8.190 nan 0.000 0.431 550 E N 1.849 122.129 120.200 0.134 0.000 2.256 550 E HA 0.598 4.948 4.350 0.000 0.000 0.267 550 E C -1.053 175.635 176.600 0.146 0.000 0.892 550 E CA -0.737 55.716 56.400 0.088 0.000 0.775 550 E CB 2.439 32.136 29.700 -0.005 0.000 1.207 550 E HN 0.586 nan 8.360 nan 0.000 0.420 551 T N 1.240 115.835 114.554 0.067 0.000 2.779 551 T HA 0.273 4.623 4.350 0.000 0.000 0.280 551 T C -0.471 174.207 174.700 -0.036 0.000 0.987 551 T CA -0.581 61.553 62.100 0.057 0.000 0.966 551 T CB 1.003 69.891 68.868 0.033 0.000 0.933 551 T HN 0.104 nan 8.240 nan 0.000 0.442 552 V N 5.159 125.068 119.914 -0.009 0.000 2.334 552 V HA 0.109 4.229 4.120 0.000 0.000 0.267 552 V C 1.410 177.429 176.094 -0.124 0.000 1.040 552 V CA -0.163 62.127 62.300 -0.017 0.000 0.866 552 V CB 0.845 32.681 31.823 0.022 0.000 1.019 552 V HN 0.834 nan 8.190 nan 0.000 0.468 553 V N 2.971 122.696 119.914 -0.315 0.000 2.427 553 V HA -0.031 4.089 4.120 0.000 0.000 0.248 553 V C 0.795 176.661 176.094 -0.379 0.000 1.051 553 V CA 1.810 63.714 62.300 -0.661 0.000 1.048 553 V CB -0.197 31.124 31.823 -0.837 0.000 0.666 553 V HN 0.968 nan 8.190 nan 0.000 0.456 554 D N -2.113 118.091 120.400 -0.327 0.000 2.710 554 D HA 0.276 4.916 4.640 0.000 0.000 0.276 554 D C -1.752 174.504 176.300 -0.073 0.000 1.267 554 D CA -0.480 53.460 54.000 -0.100 0.000 0.772 554 D CB 1.812 42.578 40.800 -0.056 0.000 1.299 554 D HN 0.050 nan 8.370 nan 0.000 0.421 555 N N 1.147 119.880 118.700 0.055 0.000 2.549 555 N HA 0.300 5.040 4.740 0.000 0.000 0.290 555 N C -1.594 174.034 175.510 0.197 0.000 1.122 555 N CA -0.390 52.718 53.050 0.098 0.000 0.885 555 N CB 1.297 39.820 38.487 0.060 0.000 1.455 555 N HN 0.191 nan 8.380 nan 0.000 0.521 556 R N 1.935 122.501 120.500 0.109 0.000 2.480 556 R HA 0.342 4.682 4.340 0.000 0.000 0.306 556 R C -0.429 175.647 176.300 -0.373 0.000 0.958 556 R CA -0.841 55.204 56.100 -0.091 0.000 0.861 556 R CB 0.996 31.202 30.300 -0.156 0.000 1.171 556 R HN 0.551 nan 8.270 nan 0.000 0.445 557 N N 3.112 121.366 118.700 -0.743 0.000 2.470 557 N HA 0.057 4.797 4.740 0.000 0.000 0.268 557 N C 0.441 175.580 175.510 -0.618 0.000 1.136 557 N CA 0.010 52.276 53.050 -1.306 0.000 0.961 557 N CB 0.706 38.506 38.487 -1.145 0.000 1.067 557 N HN 0.617 nan 8.380 nan 0.000 0.468 558 L N 2.355 123.236 121.223 -0.571 0.000 2.607 558 L HA 0.347 4.687 4.340 0.000 0.000 0.228 558 L C 1.231 177.978 176.870 -0.205 0.000 1.123 558 L CA 0.105 54.769 54.840 -0.294 0.000 0.890 558 L CB -0.970 40.938 42.059 -0.251 0.000 1.103 558 L HN 0.850 nan 8.230 nan 0.000 0.468 559 G N 1.140 109.780 108.800 -0.266 0.000 2.756 559 G HA2 -0.240 3.720 3.960 0.000 0.000 0.678 559 G HA3 -0.240 3.720 3.960 0.000 0.000 0.678 559 G C -0.446 174.361 174.900 -0.154 0.000 1.349 559 G CA -0.665 44.337 45.100 -0.164 0.000 0.847 559 G HN 0.213 nan 8.290 nan 0.000 0.548 560 E N 0.631 120.763 120.200 -0.113 0.000 2.376 560 E HA 0.414 4.764 4.350 0.000 0.000 0.266 560 E C 1.420 177.973 176.600 -0.078 0.000 1.009 560 E CA 0.902 57.242 56.400 -0.100 0.000 0.902 560 E CB -0.074 29.568 29.700 -0.097 0.000 0.972 560 E HN 2.376 nan 8.360 nan 0.000 0.439 561 G N 3.321 112.079 108.800 -0.070 0.000 2.179 561 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 561 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 561 G C 0.494 175.366 174.900 -0.047 0.000 1.010 561 G CA 0.021 45.092 45.100 -0.050 0.000 0.736 561 G HN 0.826 nan 8.290 nan 0.000 0.513 562 G N -0.360 108.400 108.800 -0.067 0.000 2.265 562 G HA2 0.485 4.445 3.960 0.000 0.000 0.240 562 G HA3 0.485 4.445 3.960 0.000 0.000 0.240 562 G C 1.026 175.904 174.900 -0.037 0.000 1.270 562 G CA 1.024 46.088 45.100 -0.059 0.000 0.901 562 G HN 1.419 nan 8.290 nan 0.000 0.507 563 T N -0.687 113.858 114.554 -0.016 0.000 3.132 563 T HA 0.212 4.563 4.350 0.000 0.000 0.274 563 T C 0.608 175.316 174.700 0.013 0.000 1.011 563 T CA -0.358 61.740 62.100 -0.002 0.000 0.899 563 T CB 0.140 69.010 68.868 0.004 0.000 1.089 563 T HN 0.433 nan 8.240 nan 0.000 0.543 564 Q N 2.162 121.970 119.800 0.014 0.000 2.304 564 Q HA 0.478 4.818 4.340 0.000 0.000 0.315 564 Q C 0.271 176.299 176.000 0.047 0.000 1.075 564 Q CA 0.336 56.165 55.803 0.044 0.000 0.988 564 Q CB 0.162 28.926 28.738 0.043 0.000 1.146 564 Q HN 0.621 nan 8.270 nan 0.000 0.383 565 A N 2.820 125.689 122.820 0.081 0.000 2.401 565 A HA 0.401 4.721 4.320 0.000 0.000 0.259 565 A C -0.755 176.898 177.584 0.115 0.000 1.103 565 A CA -0.486 51.605 52.037 0.089 0.000 0.789 565 A CB 0.212 19.274 19.000 0.103 0.000 1.035 565 A HN 0.646 nan 8.150 nan 0.000 0.491 566 L N 4.198 125.476 121.223 0.092 0.000 2.265 566 L HA 0.615 4.955 4.340 0.000 0.000 0.289 566 L C -0.737 176.206 176.870 0.121 0.000 1.033 566 L CA -0.023 54.888 54.840 0.118 0.000 0.814 566 L CB 1.351 43.450 42.059 0.068 0.000 1.203 566 L HN 0.412 nan 8.230 nan 0.000 0.423 567 V N 5.788 125.821 119.914 0.199 0.000 2.628 567 V HA 0.629 4.749 4.120 0.000 0.000 0.306 567 V C -0.100 176.008 176.094 0.024 0.000 1.045 567 V CA -0.711 61.669 62.300 0.134 0.000 0.905 567 V CB 2.047 34.015 31.823 0.241 0.000 0.997 567 V HN 0.726 nan 8.190 nan 0.000 0.436 568 R N 1.516 121.856 120.500 -0.266 0.000 2.740 568 R HA 0.798 5.138 4.340 0.000 0.000 0.282 568 R C 0.019 175.653 176.300 -1.110 0.000 0.969 568 R CA -0.429 55.315 56.100 -0.593 0.000 0.918 568 R CB 2.355 32.455 30.300 -0.334 0.000 1.175 568 R HN 0.916 nan 8.270 nan 0.000 0.464 569 G N 0.505 108.160 108.800 -1.909 0.000 3.222 569 G HA2 0.310 4.270 3.960 0.000 0.000 0.263 569 G HA3 0.310 4.270 3.960 0.000 0.000 0.263 569 G C -1.225 173.090 174.900 -0.975 0.000 1.312 569 G CA -0.802 43.341 45.100 -1.595 0.000 0.934 569 G HN 0.391 nan 8.290 nan 0.000 0.577 570 R N 0.032 120.245 120.500 -0.478 0.000 2.291 570 R HA 0.291 4.631 4.340 0.000 0.000 0.333 570 R C -0.096 176.138 176.300 -0.109 0.000 1.082 570 R CA -0.029 55.882 56.100 -0.314 0.000 0.948 570 R CB -0.350 29.782 30.300 -0.279 0.000 1.009 570 R HN 0.721 nan 8.270 nan 0.000 0.460 571 H N 1.149 120.219 119.070 -0.001 0.000 3.237 571 H HA -0.181 4.375 4.556 0.000 0.000 0.231 571 H C -1.021 174.475 175.328 0.279 0.000 1.148 571 H CA 1.486 57.608 56.048 0.123 0.000 1.155 571 H CB -1.668 28.202 29.762 0.180 0.000 1.210 571 H HN 0.728 nan 8.280 nan 0.000 0.317 572 W N -0.997 120.413 121.300 0.184 0.000 3.083 572 W HA 0.830 5.490 4.660 0.000 0.000 0.333 572 W C -1.136 175.493 176.519 0.183 0.000 1.217 572 W CA -0.822 56.635 57.345 0.185 0.000 1.170 572 W CB 1.329 30.883 29.460 0.157 0.000 1.437 572 W HN 0.215 nan 8.180 nan 0.000 0.557 573 A N 1.916 125.149 122.820 0.688 0.000 2.498 573 A HA 0.662 4.982 4.320 0.000 0.000 0.298 573 A C -1.966 176.106 177.584 0.813 0.000 1.075 573 A CA -0.584 51.816 52.037 0.604 0.000 0.714 573 A CB 2.230 21.460 19.000 0.384 0.000 1.299 573 A HN 0.851 nan 8.150 nan 0.000 0.407 574 H N 1.387 120.813 119.070 0.594 0.000 2.771 574 H HA 0.606 5.162 4.556 0.000 0.000 0.361 574 H C -2.293 173.243 175.328 0.347 0.000 1.108 574 H CA -0.532 55.749 56.048 0.389 0.000 1.201 574 H CB 1.782 31.734 29.762 0.317 0.000 1.681 574 H HN 0.607 nan 8.280 nan 0.000 0.534 575 L N 4.852 125.887 121.223 -0.314 0.000 2.316 575 L HA 0.272 4.612 4.340 0.000 0.000 0.280 575 L C 0.140 176.931 176.870 -0.131 0.000 1.006 575 L CA -0.365 54.454 54.840 -0.035 0.000 0.836 575 L CB 1.204 43.374 42.059 0.184 0.000 1.221 575 L HN 0.709 nan 8.230 nan 0.000 0.418 576 E N 4.174 124.448 120.200 0.123 0.000 2.529 576 E HA 0.241 4.591 4.350 0.000 0.000 0.259 576 E C 1.091 177.845 176.600 0.257 0.000 0.966 576 E CA 1.150 57.693 56.400 0.238 0.000 0.937 576 E CB 0.297 30.118 29.700 0.201 0.000 0.923 576 E HN 0.998 nan 8.360 nan 0.000 0.468 577 G N 3.806 112.751 108.800 0.242 0.000 2.179 577 G HA2 -0.321 3.639 3.960 0.000 0.000 0.260 577 G HA3 -0.321 3.639 3.960 0.000 0.000 0.260 577 G C 0.413 175.379 174.900 0.110 0.000 0.977 577 G CA 0.825 46.036 45.100 0.185 0.000 0.641 577 G HN 0.758 nan 8.290 nan 0.000 0.533 578 H N -0.810 118.307 119.070 0.079 0.000 2.269 578 H HA 0.551 5.107 4.556 0.000 0.000 0.216 578 H C 1.445 176.876 175.328 0.171 0.000 0.985 578 H CA 1.641 57.797 56.048 0.182 0.000 1.274 578 H CB 0.594 30.456 29.762 0.166 0.000 1.283 578 H HN 1.187 nan 8.280 nan 0.000 0.491 579 G N -1.578 107.168 108.800 -0.089 0.000 2.333 579 G HA2 0.439 4.399 3.960 0.000 0.000 0.288 579 G HA3 0.439 4.399 3.960 0.000 0.000 0.288 579 G C -0.881 173.510 174.900 -0.850 0.000 1.286 579 G CA -0.189 44.667 45.100 -0.407 0.000 0.865 579 G HN 0.657 nan 8.290 nan 0.000 0.506 580 G N -1.868 106.421 108.800 -0.851 0.000 2.866 580 G HA2 0.706 4.666 3.960 0.000 0.000 0.289 580 G HA3 0.706 4.666 3.960 0.000 0.000 0.289 580 G C -1.710 172.666 174.900 -0.874 0.000 1.396 580 G CA -0.633 43.982 45.100 -0.808 0.000 0.848 580 G HN 0.708 nan 8.290 nan 0.000 0.515 581 W N -0.236 121.165 121.300 0.169 0.000 3.138 581 W HA 0.561 5.221 4.660 0.000 0.000 0.331 581 W C -1.261 175.396 176.519 0.230 0.000 1.166 581 W CA -0.689 56.760 57.345 0.174 0.000 1.212 581 W CB 2.195 31.732 29.460 0.129 0.000 1.399 581 W HN 0.239 nan 8.180 nan 0.000 0.514 582 I N 2.660 123.489 120.570 0.432 0.000 2.406 582 I HA 0.390 4.560 4.170 0.000 0.000 0.290 582 I C -0.392 175.940 176.117 0.358 0.000 0.999 582 I CA -0.966 60.564 61.300 0.384 0.000 1.124 582 I CB 1.883 40.062 38.000 0.298 0.000 1.289 582 I HN -0.053 nan 8.210 nan 0.000 0.441 583 V N 7.573 127.661 119.914 0.290 0.000 2.380 583 V HA 0.309 4.430 4.120 0.000 0.000 0.272 583 V C -2.282 173.828 176.094 0.026 0.000 1.011 583 V CA -1.391 61.018 62.300 0.182 0.000 0.826 583 V CB 1.031 32.920 31.823 0.110 0.000 1.040 583 V HN 0.548 nan 8.190 nan 0.000 0.441 584 P HA 0.318 nan 4.420 nan 0.000 0.276 584 P C 0.905 178.003 177.300 -0.336 0.000 1.244 584 P CA 0.622 63.536 63.100 -0.310 0.000 0.801 584 P CB 1.276 32.910 31.700 -0.109 0.000 1.006 585 G N 0.332 108.802 108.800 -0.551 0.000 2.179 585 G HA2 -0.070 3.890 3.960 0.000 0.000 0.257 585 G HA3 -0.070 3.890 3.960 0.000 0.000 0.257 585 G C 0.710 175.525 174.900 -0.142 0.000 1.010 585 G CA 0.690 45.645 45.100 -0.242 0.000 0.736 585 G HN 0.957 nan 8.290 nan 0.000 0.513 586 G N 0.000 108.702 108.800 -0.163 0.000 2.574 586 G HA2 0.320 4.280 3.960 0.000 0.000 0.295 586 G HA3 0.320 4.280 3.960 0.000 0.000 0.295 586 G C 1.206 176.072 174.900 -0.055 0.000 1.300 586 G CA 2.529 47.628 45.100 -0.002 0.000 0.944 586 G HN 2.488 nan 8.290 nan 0.000 0.551 587 A N -3.316 119.460 122.820 -0.073 0.000 3.201 587 A HA -0.001 4.319 4.320 0.000 0.000 0.260 587 A C 0.982 178.437 177.584 -0.214 0.000 1.222 587 A CA 1.702 53.663 52.037 -0.126 0.000 1.124 587 A CB -1.824 17.119 19.000 -0.095 0.000 1.155 587 A HN 2.426 nan 8.150 nan 0.000 0.924 588 L N 1.889 122.987 121.223 -0.208 0.000 2.455 588 L HA 0.476 4.816 4.340 0.000 0.000 0.272 588 L C 0.633 177.229 176.870 -0.457 0.000 1.174 588 L CA 0.315 54.969 54.840 -0.310 0.000 0.869 588 L CB 0.253 42.182 42.059 -0.217 0.000 1.130 588 L HN 0.352 nan 8.230 nan 0.000 0.474 589 R N 3.109 123.144 120.500 -0.776 0.000 2.604 589 R HA 0.673 5.013 4.340 0.000 0.000 0.287 589 R C -0.452 175.226 176.300 -1.037 0.000 0.970 589 R CA -0.429 55.014 56.100 -1.095 0.000 0.946 589 R CB 1.450 30.510 30.300 -2.067 0.000 1.127 589 R HN 0.777 nan 8.270 nan 0.000 0.473 590 T N -1.250 112.895 114.554 -0.682 0.000 2.909 590 T HA 0.662 5.012 4.350 0.000 0.000 0.299 590 T C -0.865 173.833 174.700 -0.004 0.000 1.073 590 T CA -0.909 61.024 62.100 -0.278 0.000 0.999 590 T CB 1.626 70.381 68.868 -0.189 0.000 1.098 590 T HN 0.401 nan 8.240 nan 0.000 0.477 591 L N 0.994 122.338 121.223 0.203 0.000 2.455 591 L HA 0.777 5.117 4.340 0.000 0.000 0.264 591 L C -0.852 176.073 176.870 0.092 0.000 0.968 591 L CA -0.713 54.239 54.840 0.187 0.000 0.827 591 L CB 2.228 44.463 42.059 0.294 0.000 1.317 591 L HN 0.976 nan 8.230 nan 0.000 0.407 592 R N 3.650 124.181 120.500 0.051 0.000 2.494 592 R HA 0.768 5.108 4.340 0.000 0.000 0.305 592 R C -1.417 174.905 176.300 0.036 0.000 0.959 592 R CA -0.221 55.901 56.100 0.037 0.000 0.864 592 R CB 1.344 31.650 30.300 0.011 0.000 1.159 592 R HN 0.882 nan 8.270 nan 0.000 0.446 593 E N 2.262 122.495 120.200 0.054 0.000 2.401 593 E HA 0.228 4.578 4.350 0.000 0.000 0.280 593 E C -1.644 175.003 176.600 0.079 0.000 1.039 593 E CA -1.083 55.342 56.400 0.042 0.000 0.814 593 E CB 1.240 30.948 29.700 0.013 0.000 1.275 593 E HN 0.335 nan 8.360 nan 0.000 0.448 594 D N 1.151 121.581 120.400 0.050 0.000 2.256 594 D HA 0.358 4.998 4.640 0.000 0.000 0.250 594 D C -0.567 175.770 176.300 0.062 0.000 1.093 594 D CA -0.157 53.881 54.000 0.064 0.000 0.882 594 D CB 1.082 41.894 40.800 0.020 0.000 1.185 594 D HN 0.274 nan 8.370 nan 0.000 0.437 595 R N 0.830 121.396 120.500 0.109 0.000 2.686 595 R HA 0.562 4.902 4.340 0.000 0.000 0.283 595 R C -0.596 175.738 176.300 0.057 0.000 0.978 595 R CA -0.761 55.363 56.100 0.040 0.000 0.897 595 R CB 2.169 32.434 30.300 -0.057 0.000 1.192 595 R HN 0.226 nan 8.270 nan 0.000 0.457 596 T N 0.505 115.075 114.554 0.026 0.000 2.863 596 T HA 0.775 5.125 4.350 0.000 0.000 0.285 596 T C -0.361 174.370 174.700 0.052 0.000 1.009 596 T CA -0.687 61.434 62.100 0.035 0.000 0.989 596 T CB 2.024 70.903 68.868 0.018 0.000 1.004 596 T HN 0.798 nan 8.240 nan 0.000 0.455 597 G N 0.308 109.165 108.800 0.095 0.000 2.550 597 G HA2 0.732 4.692 3.960 0.000 0.000 0.293 597 G HA3 0.732 4.692 3.960 0.000 0.000 0.293 597 G C -2.064 172.957 174.900 0.202 0.000 1.402 597 G CA -0.323 44.843 45.100 0.110 0.000 0.784 597 G HN 0.935 nan 8.290 nan 0.000 0.482 598 A N -1.433 121.488 122.820 0.169 0.000 2.498 598 A HA 0.638 4.958 4.320 0.000 0.000 0.298 598 A C -0.018 177.632 177.584 0.111 0.000 1.075 598 A CA -0.645 51.549 52.037 0.263 0.000 0.714 598 A CB 0.810 19.965 19.000 0.260 0.000 1.299 598 A HN 0.842 nan 8.150 nan 0.000 0.407 599 W N 1.092 122.457 121.300 0.109 0.000 2.364 599 W HA -0.187 4.473 4.660 0.000 0.000 0.281 599 W C 2.506 179.058 176.519 0.056 0.000 1.219 599 W CA 2.028 59.379 57.345 0.011 0.000 1.220 599 W CB -0.128 29.270 29.460 -0.102 0.000 1.127 599 W HN 0.846 nan 8.180 nan 0.000 0.556 600 S N -0.448 115.416 115.700 0.274 0.000 2.440 600 S HA -0.215 4.255 4.470 0.000 0.000 0.238 600 S C 1.306 175.976 174.600 0.116 0.000 1.010 600 S CA 1.591 59.896 58.200 0.174 0.000 0.972 600 S CB -0.514 62.778 63.200 0.154 0.000 0.774 600 S HN 0.211 nan 8.310 nan 0.000 0.501 601 D N 2.193 122.659 120.400 0.110 0.000 2.219 601 D HA 0.002 4.642 4.640 0.000 0.000 0.205 601 D C 1.669 177.982 176.300 0.022 0.000 0.970 601 D CA 1.320 55.360 54.000 0.066 0.000 0.851 601 D CB -0.208 40.639 40.800 0.079 0.000 0.943 601 D HN 0.808 nan 8.370 nan 0.000 0.488 602 I N -3.839 116.762 120.570 0.051 0.000 4.081 602 I HA 0.297 4.467 4.170 0.000 0.000 0.333 602 I C -0.115 176.005 176.117 0.005 0.000 1.413 602 I CA -0.364 60.926 61.300 -0.018 0.000 1.110 602 I CB 0.467 38.488 38.000 0.034 0.000 1.082 602 I HN -0.277 nan 8.210 nan 0.000 0.402 603 N N 1.631 120.363 118.700 0.054 0.000 2.537 603 N HA 0.064 4.804 4.740 0.000 0.000 0.281 603 N C 0.637 176.174 175.510 0.045 0.000 1.097 603 N CA 0.409 53.484 53.050 0.042 0.000 0.964 603 N CB 1.966 40.504 38.487 0.085 0.000 1.588 603 N HN 0.185 nan 8.380 nan 0.000 0.511 604 T N -1.275 113.289 114.554 0.017 0.000 3.025 604 T HA -0.123 4.227 4.350 0.000 0.000 0.270 604 T C 1.357 176.078 174.700 0.035 0.000 1.126 604 T CA 1.844 63.959 62.100 0.025 0.000 1.105 604 T CB -0.412 68.462 68.868 0.010 0.000 0.884 604 T HN 0.547 nan 8.240 nan 0.000 0.522 605 T N -1.606 112.969 114.554 0.035 0.000 3.105 605 T HA 0.419 4.769 4.350 0.000 0.000 0.253 605 T C 0.484 175.211 174.700 0.045 0.000 1.047 605 T CA -0.612 61.508 62.100 0.033 0.000 0.944 605 T CB 0.038 68.918 68.868 0.019 0.000 1.016 605 T HN 0.238 nan 8.240 nan 0.000 0.544 606 S N 1.960 117.704 115.700 0.073 0.000 2.681 606 S HA 0.651 5.121 4.470 0.000 0.000 0.299 606 S C 0.404 175.096 174.600 0.153 0.000 1.113 606 S CA -0.735 57.528 58.200 0.105 0.000 1.013 606 S CB 1.672 64.965 63.200 0.154 0.000 1.076 606 S HN 0.690 nan 8.310 nan 0.000 0.534 607 T N -1.229 113.447 114.554 0.204 0.000 2.788 607 T HA 0.301 4.651 4.350 0.000 0.000 0.287 607 T C 1.090 175.945 174.700 0.258 0.000 1.007 607 T CA -0.031 62.198 62.100 0.215 0.000 1.005 607 T CB 0.534 69.546 68.868 0.240 0.000 1.012 607 T HN 0.658 nan 8.240 nan 0.000 0.530 608 T N -2.748 111.934 114.554 0.213 0.000 3.105 608 T HA 0.211 4.561 4.350 0.000 0.000 0.253 608 T C 0.472 175.313 174.700 0.235 0.000 1.047 608 T CA -0.432 61.788 62.100 0.199 0.000 0.944 608 T CB -0.309 68.637 68.868 0.130 0.000 1.016 608 T HN 0.826 nan 8.240 nan 0.000 0.544 609 E N 1.732 122.115 120.200 0.305 0.000 2.413 609 E HA 0.093 4.443 4.350 0.000 0.000 0.263 609 E C -0.431 176.403 176.600 0.389 0.000 1.015 609 E CA -0.236 56.350 56.400 0.309 0.000 0.916 609 E CB 0.570 30.478 29.700 0.347 0.000 0.947 609 E HN 0.419 nan 8.360 nan 0.000 0.440 610 R N 3.253 123.869 120.500 0.194 0.000 2.664 610 R HA 0.536 4.876 4.340 0.000 0.000 0.286 610 R C -0.201 176.031 176.300 -0.113 0.000 0.967 610 R CA -0.930 55.251 56.100 0.136 0.000 0.933 610 R CB 1.603 31.949 30.300 0.076 0.000 1.146 610 R HN 0.478 nan 8.270 nan 0.000 0.468 611 R N 0.404 120.781 120.500 -0.204 0.000 2.836 611 R HA 0.456 4.796 4.340 0.000 0.000 0.269 611 R C -0.878 175.334 176.300 -0.147 0.000 1.010 611 R CA -0.833 55.039 56.100 -0.380 0.000 0.930 611 R CB 2.425 32.160 30.300 -0.943 0.000 1.218 611 R HN 0.536 nan 8.270 nan 0.000 0.473 612 T N 2.231 116.702 114.554 -0.137 0.000 2.797 612 T HA 0.531 4.881 4.350 0.000 0.000 0.279 612 T C -0.329 174.338 174.700 -0.054 0.000 0.991 612 T CA -0.773 61.296 62.100 -0.051 0.000 0.979 612 T CB 1.312 70.153 68.868 -0.044 0.000 0.943 612 T HN 0.070 nan 8.240 nan 0.000 0.444 613 R N 1.980 122.488 120.500 0.012 0.000 2.621 613 R HA 0.477 4.817 4.340 0.000 0.000 0.292 613 R C -0.377 175.887 176.300 -0.060 0.000 0.969 613 R CA -0.887 55.171 56.100 -0.071 0.000 0.887 613 R CB 2.429 32.673 30.300 -0.093 0.000 1.180 613 R HN 0.558 nan 8.270 nan 0.000 0.450 614 R N 1.315 121.708 120.500 -0.179 0.000 2.459 614 R HA 0.364 4.704 4.340 0.000 0.000 0.281 614 R C -0.915 175.175 176.300 -0.351 0.000 1.050 614 R CA -0.124 55.906 56.100 -0.116 0.000 1.055 614 R CB 0.859 31.098 30.300 -0.103 0.000 1.045 614 R HN 0.469 nan 8.270 nan 0.000 0.495 615 W N 1.733 122.948 121.300 -0.141 0.000 2.819 615 W HA 0.280 4.940 4.660 0.000 0.000 0.337 615 W C -0.675 175.758 176.519 -0.144 0.000 1.077 615 W CA -0.501 56.739 57.345 -0.174 0.000 1.226 615 W CB 1.919 31.253 29.460 -0.211 0.000 1.419 615 W HN 0.367 nan 8.180 nan 0.000 0.502 616 Q N 1.982 121.802 119.800 0.033 0.000 2.341 616 Q HA 0.566 4.906 4.340 0.000 0.000 0.268 616 Q C -0.863 175.145 176.000 0.013 0.000 1.013 616 Q CA -0.069 55.733 55.803 -0.002 0.000 0.798 616 Q CB 1.384 30.073 28.738 -0.081 0.000 1.253 616 Q HN 0.370 nan 8.270 nan 0.000 0.457 617 T N 4.793 119.369 114.554 0.037 0.000 2.856 617 T HA 0.666 5.016 4.350 0.000 0.000 0.283 617 T C -0.938 173.811 174.700 0.081 0.000 1.008 617 T CA -0.690 61.438 62.100 0.047 0.000 0.997 617 T CB 0.654 69.548 68.868 0.044 0.000 0.992 617 T HN 0.456 nan 8.240 nan 0.000 0.454 618 L N 3.002 124.216 121.223 -0.014 0.000 2.431 618 L HA 0.752 5.092 4.340 0.000 0.000 0.266 618 L C -1.039 175.844 176.870 0.022 0.000 0.978 618 L CA -0.787 53.984 54.840 -0.116 0.000 0.822 618 L CB 1.754 43.505 42.059 -0.513 0.000 1.310 618 L HN 1.022 nan 8.230 nan 0.000 0.409 619 W N 2.758 123.881 121.300 -0.295 0.000 3.005 619 W HA 0.746 5.406 4.660 0.000 0.000 0.343 619 W C -2.480 173.874 176.519 -0.276 0.000 1.243 619 W CA -0.979 56.197 57.345 -0.283 0.000 1.186 619 W CB 1.051 30.382 29.460 -0.215 0.000 1.453 619 W HN 0.242 nan 8.180 nan 0.000 0.575 620 L N 2.733 123.861 121.223 -0.159 0.000 2.333 620 L HA 0.298 4.638 4.340 0.000 0.000 0.280 620 L C -0.539 176.174 176.870 -0.262 0.000 1.004 620 L CA -0.753 53.900 54.840 -0.311 0.000 0.820 620 L CB 1.493 43.345 42.059 -0.344 0.000 1.247 620 L HN 0.453 nan 8.230 nan 0.000 0.416 621 D N 2.110 122.391 120.400 -0.199 0.000 2.347 621 D HA 0.102 4.742 4.640 0.000 0.000 0.235 621 D C 0.574 176.780 176.300 -0.157 0.000 1.149 621 D CA -0.187 53.779 54.000 -0.058 0.000 0.850 621 D CB 0.795 41.629 40.800 0.058 0.000 1.061 621 D HN 0.462 nan 8.370 nan 0.000 0.487 622 H N 2.976 122.093 119.070 0.078 0.000 2.533 622 H HA 0.233 4.789 4.556 0.000 0.000 0.271 622 H C 1.392 176.741 175.328 0.034 0.000 1.000 622 H CA 0.597 56.678 56.048 0.055 0.000 1.149 622 H CB 0.152 29.952 29.762 0.062 0.000 1.375 622 H HN 0.693 nan 8.280 nan 0.000 0.582 623 G N 0.680 109.544 108.800 0.107 0.000 2.796 623 G HA2 -0.260 3.700 3.960 0.000 0.000 0.226 623 G HA3 -0.260 3.700 3.960 0.000 0.000 0.226 623 G C -0.251 174.685 174.900 0.061 0.000 1.381 623 G CA -0.226 44.915 45.100 0.067 0.000 0.867 623 G HN 0.287 nan 8.290 nan 0.000 0.552 624 T N 1.240 115.814 114.554 0.033 0.000 2.869 624 T HA 0.478 4.828 4.350 0.000 0.000 0.295 624 T C 0.196 174.906 174.700 0.017 0.000 0.987 624 T CA 1.027 63.139 62.100 0.019 0.000 1.109 624 T CB 0.729 69.599 68.868 0.004 0.000 0.932 624 T HN 0.927 nan 8.240 nan 0.000 0.518 625 D N 2.085 122.492 120.400 0.011 0.000 2.737 625 D HA -0.103 4.537 4.640 0.000 0.000 0.238 625 D C -2.235 174.067 176.300 0.004 0.000 1.157 625 D CA 0.130 54.132 54.000 0.003 0.000 0.694 625 D CB -0.836 39.962 40.800 -0.003 0.000 1.021 625 D HN 0.378 nan 8.370 nan 0.000 0.420 626 P HA 0.380 nan 4.420 nan 0.000 0.272 626 P C -0.787 176.499 177.300 -0.023 0.000 1.223 626 P CA -0.332 62.769 63.100 0.002 0.000 0.784 626 P CB 1.215 32.915 31.700 0.001 0.000 0.923 627 A N 1.471 124.273 122.820 -0.029 0.000 2.363 627 A HA 0.598 4.918 4.320 0.000 0.000 0.296 627 A C 0.852 178.403 177.584 -0.056 0.000 1.237 627 A CA -0.098 51.915 52.037 -0.040 0.000 0.773 627 A CB 0.044 19.027 19.000 -0.029 0.000 1.153 627 A HN 0.800 nan 8.150 nan 0.000 0.473 628 G N 1.078 109.829 108.800 -0.082 0.000 2.176 628 G HA2 0.149 4.109 3.960 0.000 0.000 0.252 628 G HA3 0.149 4.109 3.960 0.000 0.000 0.252 628 G C 0.650 175.484 174.900 -0.110 0.000 1.024 628 G CA 0.476 45.516 45.100 -0.101 0.000 0.755 628 G HN 2.095 nan 8.290 nan 0.000 0.507 629 A N -0.321 122.426 122.820 -0.122 0.000 2.366 629 A HA 0.623 4.944 4.320 0.000 0.000 0.250 629 A C 0.502 177.970 177.584 -0.193 0.000 1.099 629 A CA 0.924 52.886 52.037 -0.125 0.000 0.794 629 A CB 0.389 19.309 19.000 -0.133 0.000 1.056 629 A HN 1.406 nan 8.150 nan 0.000 0.499 630 D N -2.735 117.587 120.400 -0.131 0.000 2.596 630 D HA 0.600 5.240 4.640 0.000 0.000 0.262 630 D C -0.960 175.354 176.300 0.023 0.000 1.210 630 D CA -0.418 53.479 54.000 -0.172 0.000 0.873 630 D CB 0.649 41.351 40.800 -0.163 0.000 1.408 630 D HN 0.748 nan 8.370 nan 0.000 0.441 631 Y N -2.443 117.877 120.300 0.033 0.000 2.597 631 Y HA 0.760 5.310 4.550 0.000 0.000 0.340 631 Y C -1.899 174.036 175.900 0.058 0.000 1.097 631 Y CA -1.479 56.688 58.100 0.111 0.000 1.037 631 Y CB 1.177 39.784 38.460 0.245 0.000 1.305 631 Y HN 0.331 nan 8.280 nan 0.000 0.463 632 V N 3.419 123.558 119.914 0.376 0.000 2.577 632 V HA 0.629 4.749 4.120 0.000 0.000 0.303 632 V C -1.283 175.029 176.094 0.363 0.000 1.042 632 V CA -0.795 61.666 62.300 0.268 0.000 0.872 632 V CB 1.124 33.003 31.823 0.094 0.000 0.998 632 V HN 0.939 nan 8.190 nan 0.000 0.423 633 Y N 1.287 121.725 120.300 0.229 0.000 2.625 633 Y HA 0.860 5.410 4.550 0.000 0.000 0.338 633 Y C -0.658 175.357 175.900 0.192 0.000 1.123 633 Y CA -1.014 57.193 58.100 0.178 0.000 1.046 633 Y CB 1.912 40.457 38.460 0.140 0.000 1.299 633 Y HN 0.367 nan 8.280 nan 0.000 0.464 634 T N 2.564 117.319 114.554 0.335 0.000 2.812 634 T HA 0.511 4.861 4.350 0.000 0.000 0.282 634 T C -1.350 173.540 174.700 0.317 0.000 0.990 634 T CA -0.678 61.568 62.100 0.244 0.000 0.960 634 T CB 1.438 70.482 68.868 0.295 0.000 0.948 634 T HN 0.787 nan 8.240 nan 0.000 0.438 635 V N 5.146 125.177 119.914 0.195 0.000 2.532 635 V HA 0.654 4.774 4.120 0.000 0.000 0.295 635 V C -0.708 175.195 176.094 -0.319 0.000 1.041 635 V CA -0.888 61.419 62.300 0.011 0.000 0.926 635 V CB 1.348 33.264 31.823 0.155 0.000 0.992 635 V HN 0.947 nan 8.190 nan 0.000 0.457 636 M N 8.285 127.564 119.600 -0.536 0.000 2.182 636 M HA 0.403 4.883 4.480 0.000 0.000 0.285 636 M C -2.686 173.120 176.300 -0.823 0.000 0.956 636 M CA -1.554 53.410 55.300 -0.560 0.000 0.878 636 M CB 1.437 33.831 32.600 -0.343 0.000 1.373 636 M HN 0.443 nan 8.290 nan 0.000 0.393 637 P HA 0.150 nan 4.420 nan 0.000 0.268 637 P C 0.954 177.901 177.300 -0.588 0.000 1.204 637 P CA 0.870 63.062 63.100 -1.513 0.000 0.768 637 P CB 0.757 31.305 31.700 -1.920 0.000 0.842 638 G N 1.438 110.090 108.800 -0.247 0.000 2.184 638 G HA2 -0.206 3.754 3.960 0.000 0.000 0.264 638 G HA3 -0.206 3.754 3.960 0.000 0.000 0.264 638 G C 0.457 175.374 174.900 0.028 0.000 0.975 638 G CA 0.110 45.236 45.100 0.044 0.000 0.642 638 G HN 0.852 nan 8.290 nan 0.000 0.536 639 A N 0.134 122.919 122.820 -0.058 0.000 2.322 639 A HA 0.790 5.110 4.320 0.000 0.000 0.269 639 A C 0.995 178.628 177.584 0.083 0.000 1.094 639 A CA 0.895 52.916 52.037 -0.027 0.000 0.807 639 A CB 0.549 19.478 19.000 -0.119 0.000 1.047 639 A HN 1.931 nan 8.150 nan 0.000 0.487 640 S N 0.744 116.423 115.700 -0.035 0.000 2.632 640 S HA 0.267 4.737 4.470 0.000 0.000 0.267 640 S C 1.188 175.509 174.600 -0.465 0.000 1.276 640 S CA 0.031 58.152 58.200 -0.131 0.000 0.998 640 S CB 0.843 63.968 63.200 -0.126 0.000 0.953 640 S HN 0.831 nan 8.310 nan 0.000 0.547 641 R N 0.708 120.702 120.500 -0.844 0.000 2.083 641 R HA -0.152 4.188 4.340 0.000 0.000 0.237 641 R C 2.326 178.310 176.300 -0.528 0.000 1.137 641 R CA 1.689 57.248 56.100 -0.900 0.000 0.951 641 R CB -1.164 28.795 30.300 -0.567 0.000 0.851 641 R HN 0.861 nan 8.270 nan 0.000 0.434 642 A N 0.564 123.180 122.820 -0.340 0.000 1.933 642 A HA -0.107 4.213 4.320 0.000 0.000 0.218 642 A C 2.337 179.743 177.584 -0.297 0.000 1.175 642 A CA 1.695 53.572 52.037 -0.266 0.000 0.628 642 A CB -0.696 18.207 19.000 -0.163 0.000 0.814 642 A HN 0.571 nan 8.150 nan 0.000 0.444 643 A N -0.667 121.985 122.820 -0.280 0.000 1.930 643 A HA 0.010 4.330 4.320 0.000 0.000 0.217 643 A C 2.150 179.532 177.584 -0.337 0.000 1.175 643 A CA 1.609 53.492 52.037 -0.256 0.000 0.627 643 A CB -0.536 18.345 19.000 -0.198 0.000 0.815 643 A HN 0.609 nan 8.150 nan 0.000 0.443 644 L N -0.438 120.539 121.223 -0.411 0.000 2.027 644 L HA -0.001 4.339 4.340 0.000 0.000 0.206 644 L C 2.740 179.164 176.870 -0.742 0.000 1.074 644 L CA 1.956 56.505 54.840 -0.485 0.000 0.745 644 L CB -0.549 41.259 42.059 -0.419 0.000 0.898 644 L HN 0.327 nan 8.230 nan 0.000 0.433 645 A N -0.376 121.852 122.820 -0.987 0.000 1.908 645 A HA -0.234 4.086 4.320 0.000 0.000 0.218 645 A C 2.418 179.733 177.584 -0.448 0.000 1.181 645 A CA 1.921 53.361 52.037 -0.995 0.000 0.627 645 A CB -0.575 18.039 19.000 -0.643 0.000 0.818 645 A HN 0.498 nan 8.150 nan 0.000 0.445 646 R N -1.445 118.855 120.500 -0.333 0.000 2.075 646 R HA -0.083 4.257 4.340 0.000 0.000 0.232 646 R C 2.470 178.645 176.300 -0.208 0.000 1.126 646 R CA 1.472 57.448 56.100 -0.206 0.000 0.963 646 R CB -0.256 29.936 30.300 -0.180 0.000 0.858 646 R HN 0.437 nan 8.270 nan 0.000 0.435 647 R N 1.104 121.430 120.500 -0.291 0.000 2.092 647 R HA -0.036 4.304 4.340 0.000 0.000 0.231 647 R C 1.965 178.182 176.300 -0.138 0.000 1.119 647 R CA 1.610 57.513 56.100 -0.329 0.000 0.970 647 R CB -0.494 29.520 30.300 -0.476 0.000 0.864 647 R HN 0.228 nan 8.270 nan 0.000 0.440 648 A N 0.101 122.845 122.820 -0.128 0.000 1.933 648 A HA -0.029 4.291 4.320 0.000 0.000 0.218 648 A C 2.220 179.879 177.584 0.124 0.000 1.175 648 A CA 1.627 53.703 52.037 0.066 0.000 0.628 648 A CB -0.857 18.205 19.000 0.104 0.000 0.814 648 A HN 0.445 nan 8.150 nan 0.000 0.444 649 A N -0.744 122.107 122.820 0.052 0.000 2.206 649 A HA 0.087 4.407 4.320 0.000 0.000 0.211 649 A C 0.801 178.430 177.584 0.074 0.000 1.158 649 A CA 0.774 52.856 52.037 0.075 0.000 0.761 649 A CB -0.273 18.757 19.000 0.049 0.000 0.801 649 A HN 0.412 nan 8.150 nan 0.000 0.473 650 D N 0.233 120.682 120.400 0.082 0.000 2.347 650 D HA 0.208 4.848 4.640 0.000 0.000 0.235 650 D C 0.763 177.178 176.300 0.191 0.000 1.149 650 D CA -0.337 53.739 54.000 0.128 0.000 0.850 650 D CB 0.513 41.366 40.800 0.089 0.000 1.061 650 D HN 0.222 nan 8.370 nan 0.000 0.487 651 R N 2.766 123.267 120.500 0.002 0.000 2.359 651 R HA 0.091 4.431 4.340 0.000 0.000 0.231 651 R C 0.503 176.585 176.300 -0.363 0.000 0.913 651 R CA -0.030 55.964 56.100 -0.177 0.000 1.075 651 R CB 0.507 30.619 30.300 -0.313 0.000 1.087 651 R HN 0.555 nan 8.270 nan 0.000 0.515 652 H N -0.700 118.453 119.070 0.138 0.000 2.885 652 H HA 0.001 4.557 4.556 0.000 0.000 0.260 652 H C 1.772 177.158 175.328 0.096 0.000 0.985 652 H CA -0.065 56.030 56.048 0.078 0.000 1.210 652 H CB 0.119 29.923 29.762 0.070 0.000 1.466 652 H HN 0.347 nan 8.280 nan 0.000 0.493 653 W N 1.887 123.220 121.300 0.054 0.000 2.374 653 W HA 0.019 4.679 4.660 0.000 0.000 0.288 653 W C -0.391 176.122 176.519 -0.009 0.000 1.218 653 W CA 0.307 57.666 57.345 0.023 0.000 1.245 653 W CB -0.507 28.956 29.460 0.005 0.000 1.126 653 W HN -0.019 nan 8.180 nan 0.000 0.545 654 L N 1.590 122.298 121.223 -0.859 0.000 2.436 654 L HA 0.553 4.893 4.340 0.000 0.000 0.268 654 L C -0.984 175.571 176.870 -0.525 0.000 0.974 654 L CA -0.237 54.013 54.840 -0.982 0.000 0.826 654 L CB 2.399 43.428 42.059 -1.717 0.000 1.291 654 L HN -0.220 nan 8.230 nan 0.000 0.406 655 T N 4.177 118.503 114.554 -0.380 0.000 2.786 655 T HA 0.407 4.757 4.350 0.000 0.000 0.283 655 T C -0.568 173.962 174.700 -0.283 0.000 0.992 655 T CA -0.341 61.602 62.100 -0.261 0.000 0.954 655 T CB 1.361 70.134 68.868 -0.159 0.000 0.934 655 T HN 0.369 nan 8.240 nan 0.000 0.440 656 V N 6.329 126.093 119.914 -0.248 0.000 2.390 656 V HA 0.060 4.180 4.120 0.000 0.000 0.260 656 V C 1.507 177.490 176.094 -0.184 0.000 1.043 656 V CA 0.321 62.483 62.300 -0.231 0.000 1.047 656 V CB -0.436 31.282 31.823 -0.174 0.000 1.066 656 V HN 0.863 nan 8.190 nan 0.000 0.481 657 L N 3.975 125.077 121.223 -0.202 0.000 2.156 657 L HA 0.230 4.570 4.340 0.000 0.000 0.208 657 L C 1.076 177.873 176.870 -0.120 0.000 1.095 657 L CA 1.270 56.023 54.840 -0.145 0.000 0.770 657 L CB -0.083 41.889 42.059 -0.145 0.000 0.914 657 L HN 0.750 nan 8.230 nan 0.000 0.439 658 A N -0.442 122.292 122.820 -0.144 0.000 2.547 658 A HA 0.614 4.934 4.320 0.000 0.000 0.297 658 A C -1.209 176.307 177.584 -0.113 0.000 1.056 658 A CA -0.413 51.556 52.037 -0.113 0.000 0.688 658 A CB 1.207 20.136 19.000 -0.119 0.000 1.282 658 A HN 0.030 nan 8.150 nan 0.000 0.400 659 N N 1.348 119.994 118.700 -0.090 0.000 2.751 659 N HA 0.390 5.130 4.740 0.000 0.000 0.234 659 N C -1.504 173.950 175.510 -0.093 0.000 1.403 659 N CA -0.078 52.916 53.050 -0.095 0.000 0.747 659 N CB 0.794 39.213 38.487 -0.114 0.000 1.326 659 N HN 0.837 nan 8.380 nan 0.000 0.532 660 D N -1.143 119.217 120.400 -0.066 0.000 2.798 660 D HA 0.237 4.877 4.640 0.000 0.000 0.308 660 D C 0.196 176.449 176.300 -0.078 0.000 1.187 660 D CA -0.458 53.494 54.000 -0.081 0.000 1.033 660 D CB 0.076 40.843 40.800 -0.056 0.000 1.445 660 D HN 0.062 nan 8.370 nan 0.000 0.550 661 D N -1.332 118.993 120.400 -0.126 0.000 2.336 661 D HA 0.026 4.666 4.640 0.000 0.000 0.229 661 D C 0.933 177.189 176.300 -0.074 0.000 1.061 661 D CA 0.269 54.130 54.000 -0.232 0.000 0.875 661 D CB 0.022 40.650 40.800 -0.286 0.000 0.904 661 D HN 0.353 nan 8.370 nan 0.000 0.525 662 R N -0.184 120.363 120.500 0.077 0.000 2.195 662 R HA 0.222 4.562 4.340 0.000 0.000 0.197 662 R C 0.523 176.979 176.300 0.260 0.000 0.990 662 R CA 0.220 56.423 56.100 0.172 0.000 1.048 662 R CB 0.404 30.768 30.300 0.108 0.000 0.997 662 R HN 0.097 nan 8.270 nan 0.000 0.502 663 R N 0.656 121.267 120.500 0.184 0.000 2.687 663 R HA 0.284 4.624 4.340 0.000 0.000 0.265 663 R C -1.901 174.360 176.300 -0.065 0.000 1.048 663 R CA -0.636 55.448 56.100 -0.026 0.000 0.884 663 R CB 1.123 31.296 30.300 -0.211 0.000 1.258 663 R HN -0.071 nan 8.270 nan 0.000 0.469 664 Q N 0.693 120.395 119.800 -0.162 0.000 2.323 664 Q HA 0.827 5.167 4.340 0.000 0.000 0.271 664 Q C -1.385 174.561 176.000 -0.089 0.000 1.048 664 Q CA -0.809 54.960 55.803 -0.057 0.000 0.792 664 Q CB 2.805 31.595 28.738 0.086 0.000 1.280 664 Q HN 0.860 nan 8.270 nan 0.000 0.441 665 A N 1.258 123.955 122.820 -0.206 0.000 2.589 665 A HA 0.780 5.101 4.320 0.000 0.000 0.296 665 A C -1.343 175.919 177.584 -0.536 0.000 1.062 665 A CA -0.631 51.165 52.037 -0.401 0.000 0.686 665 A CB 1.397 20.181 19.000 -0.361 0.000 1.282 665 A HN 0.590 nan 8.150 nan 0.000 0.404 666 V N -0.995 118.467 119.914 -0.753 0.000 2.962 666 V HA 0.969 5.089 4.120 0.000 0.000 0.313 666 V C -0.256 175.581 176.094 -0.428 0.000 1.099 666 V CA -0.280 61.636 62.300 -0.641 0.000 0.971 666 V CB 1.675 32.986 31.823 -0.854 0.000 1.028 666 V HN 1.640 nan 8.190 nan 0.000 0.430 667 S N 1.911 117.413 115.700 -0.330 0.000 2.519 667 S HA 0.774 5.244 4.470 0.000 0.000 0.309 667 S C -0.983 173.471 174.600 -0.244 0.000 1.100 667 S CA -0.442 57.624 58.200 -0.224 0.000 1.059 667 S CB 1.491 64.606 63.200 -0.142 0.000 1.008 667 S HN 1.228 nan 8.310 nan 0.000 0.478 668 V N 7.930 127.733 119.914 -0.186 0.000 2.327 668 V HA 0.356 4.476 4.120 0.000 0.000 0.272 668 V C -1.949 174.120 176.094 -0.041 0.000 1.019 668 V CA -1.503 60.711 62.300 -0.143 0.000 0.814 668 V CB 1.059 32.804 31.823 -0.130 0.000 1.040 668 V HN 0.660 nan 8.190 nan 0.000 0.440 669 P HA -0.126 nan 4.420 nan 0.000 0.220 669 P C 1.815 179.142 177.300 0.046 0.000 1.148 669 P CA 1.507 64.622 63.100 0.026 0.000 0.803 669 P CB 0.216 31.940 31.700 0.039 0.000 0.782 670 S N -1.238 114.505 115.700 0.072 0.000 2.474 670 S HA -0.053 4.417 4.470 0.000 0.000 0.235 670 S C 1.548 176.177 174.600 0.048 0.000 0.997 670 S CA 0.885 59.130 58.200 0.076 0.000 0.949 670 S CB -1.220 62.050 63.200 0.116 0.000 0.766 670 S HN 0.130 nan 8.310 nan 0.000 0.517 671 L N 0.462 121.695 121.223 0.016 0.000 2.766 671 L HA 0.385 4.725 4.340 0.000 0.000 0.242 671 L C 1.559 178.431 176.870 0.004 0.000 1.136 671 L CA 0.174 55.002 54.840 -0.021 0.000 0.933 671 L CB -0.143 41.823 42.059 -0.154 0.000 1.241 671 L HN 0.508 nan 8.230 nan 0.000 0.522 672 G N 1.789 110.598 108.800 0.016 0.000 2.225 672 G HA2 -0.318 3.642 3.960 0.000 0.000 0.267 672 G HA3 -0.318 3.642 3.960 0.000 0.000 0.267 672 G C -0.132 174.769 174.900 0.002 0.000 1.024 672 G CA 0.604 45.719 45.100 0.024 0.000 0.784 672 G HN 0.322 nan 8.290 nan 0.000 0.507 673 L N 0.476 121.683 121.223 -0.027 0.000 2.322 673 L HA 0.802 5.142 4.340 0.000 0.000 0.281 673 L C -0.268 176.558 176.870 -0.074 0.000 1.014 673 L CA -0.604 54.203 54.840 -0.055 0.000 0.815 673 L CB 1.919 43.926 42.059 -0.086 0.000 1.247 673 L HN 0.057 nan 8.230 nan 0.000 0.421 674 T N 4.066 118.574 114.554 -0.077 0.000 2.824 674 T HA 0.784 5.134 4.350 0.000 0.000 0.282 674 T C -0.750 173.889 174.700 -0.102 0.000 0.993 674 T CA -0.475 61.571 62.100 -0.090 0.000 0.967 674 T CB 1.645 70.501 68.868 -0.021 0.000 0.960 674 T HN 0.707 nan 8.240 nan 0.000 0.441 675 A N 2.105 124.829 122.820 -0.161 0.000 2.398 675 A HA 0.925 5.245 4.320 0.000 0.000 0.301 675 A C -0.866 176.642 177.584 -0.128 0.000 1.041 675 A CA -0.884 51.105 52.037 -0.079 0.000 0.711 675 A CB 1.347 20.362 19.000 0.026 0.000 1.240 675 A HN 1.122 nan 8.150 nan 0.000 0.420 676 A N 2.550 125.372 122.820 0.004 0.000 2.408 676 A HA 0.696 5.016 4.320 0.000 0.000 0.295 676 A C -1.237 176.282 177.584 -0.108 0.000 1.040 676 A CA -0.717 51.203 52.037 -0.195 0.000 0.707 676 A CB 1.018 19.723 19.000 -0.492 0.000 1.235 676 A HN 0.653 nan 8.150 nan 0.000 0.418 677 N N 1.683 120.281 118.700 -0.170 0.000 2.439 677 N HA 0.432 5.172 4.740 0.000 0.000 0.249 677 N C -1.502 173.629 175.510 -0.631 0.000 1.003 677 N CA 0.195 53.056 53.050 -0.314 0.000 0.942 677 N CB 0.511 38.644 38.487 -0.589 0.000 1.115 677 N HN 0.493 nan 8.380 nan 0.000 0.505 678 F N 1.135 120.975 119.950 -0.184 0.000 2.390 678 F HA 0.229 4.756 4.527 0.000 0.000 0.361 678 F C 0.951 176.660 175.800 -0.152 0.000 1.124 678 F CA -0.881 57.032 58.000 -0.146 0.000 1.149 678 F CB 0.475 39.498 39.000 0.039 0.000 1.160 678 F HN 0.546 nan 8.300 nan 0.000 0.501 679 W N 1.484 122.806 121.300 0.037 0.000 2.465 679 W HA -0.020 4.641 4.660 0.000 0.000 0.268 679 W C 0.668 177.274 176.519 0.146 0.000 1.242 679 W CA 0.264 57.522 57.345 -0.145 0.000 1.248 679 W CB -0.115 29.145 29.460 -0.333 0.000 1.118 679 W HN 0.422 nan 8.180 nan 0.000 0.587 680 Q N -1.405 118.604 119.800 0.348 0.000 2.685 680 Q HA 0.641 4.981 4.340 0.000 0.000 0.301 680 Q C -0.809 175.317 176.000 0.210 0.000 0.924 680 Q CA -1.179 54.778 55.803 0.256 0.000 0.755 680 Q CB 1.022 29.873 28.738 0.189 0.000 1.470 680 Q HN -0.161 nan 8.270 nan 0.000 0.434 681 A N -0.066 122.822 122.820 0.113 0.000 2.561 681 A HA 0.549 4.869 4.320 0.000 0.000 0.234 681 A C 0.562 178.185 177.584 0.065 0.000 1.055 681 A CA 1.281 53.334 52.037 0.025 0.000 0.756 681 A CB -0.596 18.410 19.000 0.011 0.000 0.986 681 A HN 1.203 nan 8.150 nan 0.000 0.505 682 G N -0.125 108.673 108.800 -0.003 0.000 2.336 682 G HA2 0.533 4.493 3.960 0.000 0.000 0.286 682 G HA3 0.533 4.493 3.960 0.000 0.000 0.286 682 G C -0.919 174.060 174.900 0.132 0.000 1.269 682 G CA 0.109 45.281 45.100 0.120 0.000 0.873 682 G HN 1.080 nan 8.290 nan 0.000 0.494 683 T N -0.004 114.739 114.554 0.315 0.000 2.952 683 T HA 0.767 5.117 4.350 0.000 0.000 0.305 683 T C -0.656 174.251 174.700 0.345 0.000 1.064 683 T CA 0.368 62.662 62.100 0.323 0.000 1.008 683 T CB 1.623 70.574 68.868 0.138 0.000 1.078 683 T HN 1.774 nan 8.240 nan 0.000 0.459 684 A N 1.972 125.004 122.820 0.353 0.000 2.375 684 A HA 0.840 5.160 4.320 0.000 0.000 0.295 684 A C 0.870 178.514 177.584 0.101 0.000 1.066 684 A CA 0.038 52.132 52.037 0.096 0.000 0.722 684 A CB 0.749 19.653 19.000 -0.159 0.000 1.206 684 A HN 1.389 nan 8.150 nan 0.000 0.435 685 G N 3.519 112.350 108.800 0.053 0.000 2.698 685 G HA2 -0.304 3.656 3.960 0.000 0.000 0.346 685 G HA3 -0.304 3.656 3.960 0.000 0.000 0.346 685 G C -0.615 174.355 174.900 0.116 0.000 1.287 685 G CA 0.917 46.054 45.100 0.063 0.000 0.990 685 G HN 0.853 nan 8.290 nan 0.000 0.545 686 P HA 0.282 nan 4.420 nan 0.000 0.249 686 P C 0.362 177.836 177.300 0.289 0.000 1.229 686 P CA 0.482 63.703 63.100 0.202 0.000 0.788 686 P CB 0.084 31.955 31.700 0.285 0.000 1.072 687 L N -0.461 120.945 121.223 0.303 0.000 2.329 687 L HA 0.462 4.802 4.340 0.000 0.000 0.279 687 L C 0.097 177.113 176.870 0.243 0.000 1.014 687 L CA -0.260 54.777 54.840 0.328 0.000 0.814 687 L CB 2.081 44.385 42.059 0.409 0.000 1.257 687 L HN -0.304 nan 8.230 nan 0.000 0.424 688 T N 0.646 115.222 114.554 0.036 0.000 2.824 688 T HA 0.472 4.822 4.350 0.000 0.000 0.282 688 T C -0.455 174.033 174.700 -0.352 0.000 0.993 688 T CA -0.428 61.582 62.100 -0.149 0.000 0.967 688 T CB 1.926 70.747 68.868 -0.078 0.000 0.960 688 T HN 0.573 nan 8.240 nan 0.000 0.441 689 T N 0.261 114.445 114.554 -0.616 0.000 2.907 689 T HA 0.482 4.832 4.350 0.000 0.000 0.292 689 T C 1.322 175.863 174.700 -0.265 0.000 1.043 689 T CA -0.431 61.375 62.100 -0.490 0.000 1.003 689 T CB 1.333 69.766 68.868 -0.726 0.000 1.084 689 T HN 0.657 nan 8.240 nan 0.000 0.483 690 T N 0.767 115.237 114.554 -0.140 0.000 3.100 690 T HA 0.592 4.942 4.350 0.000 0.000 0.253 690 T C 0.598 175.279 174.700 -0.032 0.000 1.118 690 T CA 0.273 62.334 62.100 -0.066 0.000 1.058 690 T CB -0.052 68.802 68.868 -0.025 0.000 0.953 690 T HN 0.915 nan 8.240 nan 0.000 0.515 691 A N -0.038 122.759 122.820 -0.037 0.000 2.601 691 A HA 0.737 5.057 4.320 0.000 0.000 0.291 691 A C 0.187 177.825 177.584 0.090 0.000 1.075 691 A CA -0.537 51.521 52.037 0.036 0.000 0.671 691 A CB 0.247 19.265 19.000 0.029 0.000 1.277 691 A HN 0.497 nan 8.150 nan 0.000 0.417 692 G N -0.337 108.583 108.800 0.199 0.000 2.224 692 G HA2 0.595 4.555 3.960 0.000 0.000 0.239 692 G HA3 0.595 4.555 3.960 0.000 0.000 0.239 692 G C 0.177 175.178 174.900 0.167 0.000 1.240 692 G CA 1.051 46.368 45.100 0.361 0.000 0.896 692 G HN 2.192 nan 8.290 nan 0.000 0.496 693 A N 1.507 124.504 122.820 0.295 0.000 2.599 693 A HA 0.732 5.052 4.320 0.000 0.000 0.294 693 A C -0.442 177.325 177.584 0.304 0.000 1.055 693 A CA -0.201 51.917 52.037 0.135 0.000 0.683 693 A CB 1.462 20.522 19.000 0.100 0.000 1.278 693 A HN 1.402 nan 8.150 nan 0.000 0.412 694 S N 0.123 115.907 115.700 0.140 0.000 2.473 694 S HA 0.715 5.185 4.470 0.000 0.000 0.307 694 S C -1.063 173.631 174.600 0.158 0.000 1.094 694 S CA -0.376 57.947 58.200 0.205 0.000 1.070 694 S CB 0.894 64.182 63.200 0.146 0.000 1.019 694 S HN 1.266 nan 8.310 nan 0.000 0.480 695 V N 5.467 125.493 119.914 0.186 0.000 2.588 695 V HA 0.650 4.770 4.120 0.000 0.000 0.304 695 V C -0.960 175.181 176.094 0.077 0.000 1.042 695 V CA -0.807 61.573 62.300 0.133 0.000 0.877 695 V CB 1.591 33.537 31.823 0.205 0.000 0.996 695 V HN 0.783 nan 8.190 nan 0.000 0.425 696 L N 5.593 126.826 121.223 0.018 0.000 2.381 696 L HA 0.798 5.138 4.340 0.000 0.000 0.274 696 L C -0.851 175.954 176.870 -0.109 0.000 0.988 696 L CA -0.182 54.651 54.840 -0.011 0.000 0.824 696 L CB 2.056 44.130 42.059 0.026 0.000 1.263 696 L HN 0.457 nan 8.230 nan 0.000 0.410 697 V N 5.634 125.443 119.914 -0.174 0.000 2.448 697 V HA 0.592 4.712 4.120 0.000 0.000 0.295 697 V C -0.132 175.834 176.094 -0.213 0.000 1.025 697 V CA -0.601 61.494 62.300 -0.342 0.000 0.859 697 V CB 1.709 33.156 31.823 -0.627 0.000 0.988 697 V HN 0.676 nan 8.190 nan 0.000 0.431 698 R N 3.850 124.240 120.500 -0.183 0.000 2.360 698 R HA 0.542 4.882 4.340 0.000 0.000 0.318 698 R C -0.540 175.716 176.300 -0.073 0.000 0.950 698 R CA -0.690 55.365 56.100 -0.074 0.000 0.837 698 R CB 1.700 32.003 30.300 0.006 0.000 1.165 698 R HN 0.643 nan 8.270 nan 0.000 0.458 699 R N 2.837 123.321 120.500 -0.027 0.000 2.265 699 R HA 0.315 4.655 4.340 0.000 0.000 0.319 699 R C -0.448 175.875 176.300 0.039 0.000 1.006 699 R CA -0.542 55.570 56.100 0.019 0.000 0.880 699 R CB 1.270 31.602 30.300 0.054 0.000 1.077 699 R HN 0.282 nan 8.270 nan 0.000 0.454 700 R N 2.066 122.592 120.500 0.043 0.000 2.487 700 R HA 0.285 4.625 4.340 0.000 0.000 0.288 700 R C 0.505 176.835 176.300 0.051 0.000 1.394 700 R CA 0.123 56.252 56.100 0.048 0.000 1.155 700 R CB 1.488 31.815 30.300 0.044 0.000 1.156 700 R HN 0.922 nan 8.270 nan 0.000 0.553 701 G N 2.085 110.918 108.800 0.055 0.000 2.677 701 G HA2 -0.407 3.553 3.960 0.000 0.000 0.321 701 G HA3 -0.407 3.553 3.960 0.000 0.000 0.321 701 G C 0.961 175.901 174.900 0.065 0.000 1.181 701 G CA 0.245 45.379 45.100 0.056 0.000 0.965 701 G HN 0.490 nan 8.290 nan 0.000 0.548 702 R N 1.388 121.923 120.500 0.059 0.000 2.275 702 R HA 0.165 4.505 4.340 0.000 0.000 0.199 702 R C 0.731 177.075 176.300 0.073 0.000 0.989 702 R CA 1.217 57.355 56.100 0.064 0.000 1.016 702 R CB -0.144 30.186 30.300 0.050 0.000 0.918 702 R HN 0.470 nan 8.270 nan 0.000 0.473 703 T N 0.011 114.606 114.554 0.068 0.000 2.924 703 T HA 0.695 5.045 4.350 0.000 0.000 0.291 703 T C -1.148 173.591 174.700 0.066 0.000 1.045 703 T CA -0.537 61.602 62.100 0.066 0.000 1.015 703 T CB 2.313 71.209 68.868 0.047 0.000 1.103 703 T HN 0.161 nan 8.240 nan 0.000 0.496 704 A N 1.593 124.449 122.820 0.061 0.000 2.520 704 A HA 0.763 5.083 4.320 0.000 0.000 0.298 704 A C -0.221 177.335 177.584 -0.047 0.000 1.051 704 A CA -0.903 51.134 52.037 0.000 0.000 0.690 704 A CB 1.318 20.327 19.000 0.015 0.000 1.281 704 A HN 0.823 nan 8.150 nan 0.000 0.402 705 T N 0.061 114.558 114.554 -0.094 0.000 2.794 705 T HA 0.647 4.997 4.350 0.000 0.000 0.280 705 T C -0.522 174.062 174.700 -0.193 0.000 0.987 705 T CA -0.467 61.575 62.100 -0.098 0.000 0.993 705 T CB 0.980 69.817 68.868 -0.052 0.000 0.939 705 T HN 0.757 nan 8.240 nan 0.000 0.449 706 L N 3.405 124.519 121.223 -0.182 0.000 2.305 706 L HA 0.626 4.966 4.340 0.000 0.000 0.284 706 L C -0.426 176.388 176.870 -0.093 0.000 1.013 706 L CA -0.850 53.862 54.840 -0.213 0.000 0.819 706 L CB 0.879 42.791 42.059 -0.246 0.000 1.227 706 L HN 0.580 nan 8.230 nan 0.000 0.417 707 R N 4.423 124.880 120.500 -0.072 0.000 2.387 707 R HA 0.605 4.945 4.340 0.000 0.000 0.314 707 R C -1.334 174.971 176.300 0.008 0.000 0.958 707 R CA -0.637 55.450 56.100 -0.021 0.000 0.846 707 R CB 1.943 32.229 30.300 -0.023 0.000 1.147 707 R HN 0.420 nan 8.270 nan 0.000 0.447 708 V N 2.065 122.007 119.914 0.046 0.000 2.686 708 V HA 0.611 4.731 4.120 0.000 0.000 0.306 708 V C -0.555 175.603 176.094 0.106 0.000 1.065 708 V CA -0.331 62.011 62.300 0.072 0.000 0.894 708 V CB 2.078 33.941 31.823 0.068 0.000 1.004 708 V HN 0.990 nan 8.190 nan 0.000 0.424 709 S N 4.300 120.034 115.700 0.057 0.000 2.715 709 S HA 0.684 5.154 4.470 0.000 0.000 0.307 709 S C -0.662 173.919 174.600 -0.032 0.000 1.119 709 S CA -0.658 57.564 58.200 0.038 0.000 0.937 709 S CB 2.147 65.317 63.200 -0.050 0.000 1.150 709 S HN 0.863 nan 8.310 nan 0.000 0.521 710 E N 0.892 121.047 120.200 -0.075 0.000 2.593 710 E HA 0.327 4.677 4.350 0.000 0.000 0.232 710 E C -2.368 174.051 176.600 -0.301 0.000 1.026 710 E CA -2.152 54.148 56.400 -0.167 0.000 0.772 710 E CB 1.270 30.929 29.700 -0.070 0.000 1.310 710 E HN 0.334 nan 8.360 nan 0.000 0.413 711 P HA -0.050 nan 4.420 nan 0.000 0.218 711 P C -1.842 175.215 177.300 -0.405 0.000 1.149 711 P CA 0.645 63.357 63.100 -0.647 0.000 0.817 711 P CB -0.311 30.603 31.700 -1.311 0.000 0.785 712 P HA -0.059 nan 4.420 nan 0.000 0.222 712 P C -0.116 177.164 177.300 -0.034 0.000 1.147 712 P CA 0.977 64.024 63.100 -0.088 0.000 0.790 712 P CB -0.373 31.326 31.700 -0.001 0.000 0.780 713 R N -2.062 118.398 120.500 -0.067 0.000 3.531 713 R HA -0.143 4.197 4.340 0.000 0.000 0.280 713 R C 1.033 177.343 176.300 0.016 0.000 1.130 713 R CA 0.860 56.951 56.100 -0.015 0.000 0.757 713 R CB -2.961 27.342 30.300 0.005 0.000 1.218 713 R HN 0.367 nan 8.270 nan 0.000 0.454 714 T N -4.223 110.339 114.554 0.014 0.000 3.023 714 T HA 0.113 4.463 4.350 0.000 0.000 0.266 714 T C 1.706 176.420 174.700 0.023 0.000 1.093 714 T CA 0.987 63.104 62.100 0.028 0.000 1.129 714 T CB 0.373 69.260 68.868 0.032 0.000 0.899 714 T HN 0.828 nan 8.240 nan 0.000 0.491 715 G N 0.978 109.786 108.800 0.015 0.000 2.184 715 G HA2 -0.221 3.739 3.960 0.000 0.000 0.264 715 G HA3 -0.221 3.739 3.960 0.000 0.000 0.264 715 G C -0.127 174.775 174.900 0.003 0.000 0.975 715 G CA 0.138 45.246 45.100 0.013 0.000 0.642 715 G HN 0.597 nan 8.290 nan 0.000 0.536 716 E N 0.743 120.945 120.200 0.004 0.000 2.313 716 E HA 0.587 4.937 4.350 0.000 0.000 0.276 716 E C 0.864 177.456 176.600 -0.013 0.000 1.031 716 E CA 0.367 56.768 56.400 0.001 0.000 0.857 716 E CB 1.146 30.853 29.700 0.011 0.000 1.040 716 E HN 0.802 nan 8.360 nan 0.000 0.408 717 A N 3.487 126.296 122.820 -0.018 0.000 2.540 717 A HA 0.313 4.633 4.320 0.000 0.000 0.239 717 A C 0.023 177.593 177.584 -0.023 0.000 1.061 717 A CA 0.009 52.027 52.037 -0.032 0.000 0.758 717 A CB -0.306 18.677 19.000 -0.028 0.000 0.991 717 A HN 0.496 nan 8.150 nan 0.000 0.502 718 L N -0.475 120.729 121.223 -0.031 0.000 2.333 718 L HA 0.890 5.230 4.340 0.000 0.000 0.263 718 L C -0.430 176.434 176.870 -0.010 0.000 1.014 718 L CA -0.711 54.116 54.840 -0.020 0.000 0.820 718 L CB 1.849 43.891 42.059 -0.027 0.000 1.352 718 L HN 0.635 nan 8.230 nan 0.000 0.421 719 E N 1.896 122.101 120.200 0.009 0.000 2.222 719 E HA 0.640 4.990 4.350 0.000 0.000 0.267 719 E C -1.307 175.312 176.600 0.032 0.000 0.884 719 E CA -0.818 55.620 56.400 0.063 0.000 0.764 719 E CB 2.626 32.422 29.700 0.160 0.000 1.169 719 E HN 0.399 nan 8.360 nan 0.000 0.413 720 I N 2.399 123.016 120.570 0.077 0.000 2.509 720 I HA 0.387 4.557 4.170 0.000 0.000 0.293 720 I C -0.451 175.723 176.117 0.096 0.000 1.020 720 I CA -0.950 60.370 61.300 0.032 0.000 1.088 720 I CB 1.650 39.677 38.000 0.046 0.000 1.267 720 I HN 0.258 nan 8.210 nan 0.000 0.430 721 V N 4.934 124.867 119.914 0.032 0.000 2.444 721 V HA 0.335 4.455 4.120 0.000 0.000 0.294 721 V C -1.176 175.028 176.094 0.184 0.000 1.022 721 V CA -0.569 61.757 62.300 0.044 0.000 0.850 721 V CB 2.298 34.033 31.823 -0.147 0.000 0.992 721 V HN 0.777 nan 8.190 nan 0.000 0.426 722 W N 4.996 126.311 121.300 0.026 0.000 2.361 722 W HA 0.528 5.188 4.660 0.000 0.000 0.314 722 W C -0.065 176.494 176.519 0.067 0.000 1.041 722 W CA -1.277 56.099 57.345 0.053 0.000 1.241 722 W CB 1.298 30.796 29.460 0.062 0.000 1.279 722 W HN 0.654 nan 8.180 nan 0.000 0.436 723 D N 5.044 125.380 120.400 -0.106 0.000 2.551 723 D HA 0.043 4.683 4.640 0.000 0.000 0.223 723 D C -0.869 175.162 176.300 -0.448 0.000 1.144 723 D CA 0.768 54.643 54.000 -0.209 0.000 1.025 723 D CB -0.476 40.270 40.800 -0.090 0.000 1.085 723 D HN 0.389 nan 8.370 nan 0.000 0.506 724 H N 1.833 120.437 119.070 -0.777 0.000 3.086 724 H HA 0.292 4.848 4.556 0.000 0.000 0.353 724 H C -2.928 172.055 175.328 -0.576 0.000 1.134 724 H CA -1.623 53.911 56.048 -0.857 0.000 1.248 724 H CB 2.039 30.789 29.762 -1.686 0.000 1.878 724 H HN 0.073 nan 8.280 nan 0.000 0.527 725 P HA 0.054 nan 4.420 nan 0.000 0.268 725 P C -0.789 176.510 177.300 -0.003 0.000 1.204 725 P CA 0.086 63.076 63.100 -0.184 0.000 0.768 725 P CB 0.722 32.293 31.700 -0.216 0.000 0.842 726 V N 0.332 120.260 119.914 0.024 0.000 2.971 726 V HA 0.813 4.933 4.120 0.000 0.000 0.309 726 V C 0.628 176.763 176.094 0.068 0.000 1.130 726 V CA -0.150 62.206 62.300 0.093 0.000 0.964 726 V CB 1.784 33.705 31.823 0.163 0.000 1.029 726 V HN 0.560 nan 8.190 nan 0.000 0.427 727 G N 1.870 110.715 108.800 0.076 0.000 2.497 727 G HA2 0.680 4.640 3.960 0.000 0.000 0.210 727 G HA3 0.680 4.640 3.960 0.000 0.000 0.210 727 G C 0.427 175.359 174.900 0.053 0.000 1.177 727 G CA 0.471 45.603 45.100 0.054 0.000 0.822 727 G HN 1.839 nan 8.290 nan 0.000 0.550 728 A N -0.941 121.917 122.820 0.063 0.000 2.589 728 A HA 0.575 4.895 4.320 0.000 0.000 0.296 728 A C -1.303 176.319 177.584 0.062 0.000 1.062 728 A CA -0.450 51.620 52.037 0.054 0.000 0.686 728 A CB 1.364 20.389 19.000 0.041 0.000 1.282 728 A HN 0.430 nan 8.150 nan 0.000 0.404 729 V N 3.746 123.694 119.914 0.055 0.000 2.470 729 V HA 0.120 4.240 4.120 0.000 0.000 0.276 729 V C 1.346 177.466 176.094 0.043 0.000 1.040 729 V CA 0.127 62.459 62.300 0.054 0.000 1.008 729 V CB 0.600 32.452 31.823 0.048 0.000 0.990 729 V HN 0.836 nan 8.190 nan 0.000 0.477 730 L N 4.578 125.827 121.223 0.043 0.000 2.049 730 L HA 0.153 4.493 4.340 0.000 0.000 0.203 730 L C 1.137 178.024 176.870 0.028 0.000 1.074 730 L CA 1.147 56.007 54.840 0.033 0.000 0.749 730 L CB -0.168 41.910 42.059 0.033 0.000 0.907 730 L HN 0.773 nan 8.230 nan 0.000 0.439 731 R N -0.300 120.217 120.500 0.028 0.000 2.680 731 R HA 0.758 5.098 4.340 0.000 0.000 0.269 731 R C -1.845 174.470 176.300 0.026 0.000 1.026 731 R CA -0.585 55.529 56.100 0.024 0.000 0.889 731 R CB 1.945 32.257 30.300 0.019 0.000 1.241 731 R HN -0.106 nan 8.270 nan 0.000 0.463 732 A N 1.904 124.740 122.820 0.025 0.000 2.547 732 A HA 0.465 4.785 4.320 0.000 0.000 0.297 732 A C -1.463 176.140 177.584 0.032 0.000 1.056 732 A CA -0.924 51.130 52.037 0.029 0.000 0.688 732 A CB 1.680 20.697 19.000 0.027 0.000 1.282 732 A HN 0.769 nan 8.150 nan 0.000 0.400 733 D N 0.621 121.048 120.400 0.045 0.000 2.378 733 D HA 0.105 4.745 4.640 0.000 0.000 0.238 733 D C 1.213 177.539 176.300 0.043 0.000 1.180 733 D CA 0.287 54.321 54.000 0.057 0.000 0.895 733 D CB 0.819 41.683 40.800 0.106 0.000 1.192 733 D HN 0.766 nan 8.370 nan 0.000 0.438 734 E N -0.353 119.873 120.200 0.042 0.000 2.204 734 E HA -0.164 4.186 4.350 0.000 0.000 0.195 734 E C 1.259 177.866 176.600 0.011 0.000 0.990 734 E CA 1.276 57.692 56.400 0.026 0.000 0.821 734 E CB 0.138 29.856 29.700 0.031 0.000 0.750 734 E HN 0.554 nan 8.360 nan 0.000 0.477 735 T N -2.275 112.288 114.554 0.015 0.000 3.148 735 T HA 0.104 4.454 4.350 0.000 0.000 0.253 735 T C 0.457 175.098 174.700 -0.098 0.000 1.134 735 T CA -0.075 61.992 62.100 -0.056 0.000 1.051 735 T CB 0.349 69.156 68.868 -0.101 0.000 0.959 735 T HN -0.102 nan 8.240 nan 0.000 0.525 736 V N 1.956 121.845 119.914 -0.041 0.000 2.313 736 V HA 0.382 4.502 4.120 0.000 0.000 0.278 736 V C -0.111 175.969 176.094 -0.024 0.000 1.017 736 V CA -1.209 61.070 62.300 -0.036 0.000 0.823 736 V CB 1.292 33.116 31.823 0.001 0.000 1.010 736 V HN 0.441 nan 8.190 nan 0.000 0.443 737 E N 4.970 125.147 120.200 -0.039 0.000 2.283 737 E HA 0.341 4.691 4.350 0.000 0.000 0.278 737 E C -0.851 175.725 176.600 -0.041 0.000 1.027 737 E CA -0.776 55.601 56.400 -0.039 0.000 0.843 737 E CB 1.022 30.690 29.700 -0.054 0.000 1.062 737 E HN 0.472 nan 8.360 nan 0.000 0.401 738 I N 6.864 127.416 120.570 -0.029 0.000 2.301 738 I HA 0.037 4.207 4.170 0.000 0.000 0.292 738 I C 0.919 177.001 176.117 -0.060 0.000 1.046 738 I CA 0.152 61.440 61.300 -0.020 0.000 1.282 738 I CB 0.707 38.712 38.000 0.008 0.000 1.409 738 I HN 0.769 nan 8.210 nan 0.000 0.484 739 L N 5.037 126.185 121.223 -0.124 0.000 2.298 739 L HA 0.332 4.672 4.340 0.000 0.000 0.209 739 L C 0.876 177.701 176.870 -0.076 0.000 1.084 739 L CA 0.437 55.157 54.840 -0.199 0.000 0.816 739 L CB 0.036 41.745 42.059 -0.583 0.000 0.967 739 L HN 0.741 nan 8.230 nan 0.000 0.460 740 A N -0.799 122.029 122.820 0.014 0.000 2.604 740 A HA 0.657 4.977 4.320 0.000 0.000 0.295 740 A C -0.460 177.177 177.584 0.089 0.000 1.067 740 A CA -0.103 51.976 52.037 0.070 0.000 0.683 740 A CB 1.235 20.309 19.000 0.124 0.000 1.281 740 A HN 0.042 nan 8.150 nan 0.000 0.407 741 T N -2.031 112.563 114.554 0.067 0.000 2.669 741 T HA 0.949 5.300 4.350 0.000 0.000 0.283 741 T C 0.857 175.582 174.700 0.042 0.000 1.019 741 T CA 0.321 62.460 62.100 0.066 0.000 1.039 741 T CB 0.990 69.895 68.868 0.061 0.000 1.374 741 T HN 2.707 nan 8.240 nan 0.000 0.523 742 G N 0.952 109.769 108.800 0.029 0.000 2.848 742 G HA2 -0.231 3.729 3.960 0.000 0.000 0.246 742 G HA3 -0.231 3.729 3.960 0.000 0.000 0.246 742 G C 0.787 175.677 174.900 -0.017 0.000 1.374 742 G CA 0.214 45.318 45.100 0.007 0.000 0.982 742 G HN 0.838 nan 8.290 nan 0.000 0.563 743 R N 0.840 121.324 120.500 -0.027 0.000 2.237 743 R HA 0.180 4.520 4.340 0.000 0.000 0.219 743 R C 1.298 177.549 176.300 -0.082 0.000 1.080 743 R CA 1.213 57.277 56.100 -0.060 0.000 0.995 743 R CB 0.005 30.273 30.300 -0.052 0.000 0.875 743 R HN 0.410 nan 8.270 nan 0.000 0.462 744 R N -0.550 119.926 120.500 -0.040 0.000 2.680 744 R HA 0.269 4.609 4.340 0.000 0.000 0.269 744 R C -1.896 174.436 176.300 0.052 0.000 1.026 744 R CA -0.911 55.170 56.100 -0.031 0.000 0.889 744 R CB 1.533 31.826 30.300 -0.012 0.000 1.241 744 R HN -0.123 nan 8.270 nan 0.000 0.463 745 L N 2.188 123.486 121.223 0.124 0.000 2.264 745 L HA 0.389 4.729 4.340 0.000 0.000 0.289 745 L C -0.916 176.109 176.870 0.258 0.000 1.044 745 L CA 0.114 55.094 54.840 0.233 0.000 0.807 745 L CB 0.805 43.099 42.059 0.392 0.000 1.192 745 L HN 0.588 nan 8.230 nan 0.000 0.425 746 H N 5.883 125.010 119.070 0.094 0.000 2.646 746 H HA 0.550 5.106 4.556 0.000 0.000 0.328 746 H C -1.434 173.925 175.328 0.052 0.000 0.998 746 H CA -0.919 55.169 56.048 0.066 0.000 1.225 746 H CB 1.000 30.785 29.762 0.039 0.000 1.457 746 H HN 0.601 nan 8.280 nan 0.000 0.505 747 L N 4.513 125.875 121.223 0.230 0.000 2.333 747 L HA 0.527 4.867 4.340 0.000 0.000 0.269 747 L C -0.229 176.656 176.870 0.024 0.000 1.010 747 L CA -0.986 53.894 54.840 0.067 0.000 0.818 747 L CB 2.306 44.410 42.059 0.074 0.000 1.306 747 L HN 0.518 nan 8.230 nan 0.000 0.430 748 R N 1.433 121.904 120.500 -0.048 0.000 2.439 748 R HA 0.671 5.011 4.340 0.000 0.000 0.310 748 R C -1.816 174.448 176.300 -0.060 0.000 0.955 748 R CA -0.461 55.610 56.100 -0.049 0.000 0.853 748 R CB 1.786 32.037 30.300 -0.081 0.000 1.171 748 R HN 0.452 nan 8.270 nan 0.000 0.449 749 V N 3.586 123.458 119.914 -0.071 0.000 2.448 749 V HA 0.338 4.458 4.120 0.000 0.000 0.295 749 V C -0.182 175.816 176.094 -0.160 0.000 1.025 749 V CA -0.696 61.522 62.300 -0.138 0.000 0.859 749 V CB 1.983 33.717 31.823 -0.149 0.000 0.988 749 V HN 0.790 nan 8.190 nan 0.000 0.431 750 T N 7.934 122.370 114.554 -0.197 0.000 2.891 750 T HA 0.266 4.616 4.350 0.000 0.000 0.315 750 T C -1.562 172.996 174.700 -0.236 0.000 1.054 750 T CA -0.794 61.213 62.100 -0.155 0.000 0.958 750 T CB 1.085 69.893 68.868 -0.100 0.000 1.008 750 T HN 0.620 nan 8.240 nan 0.000 0.521 751 P HA 0.206 nan 4.420 nan 0.000 0.255 751 P C 0.833 178.199 177.300 0.110 0.000 1.248 751 P CA 0.133 63.128 63.100 -0.175 0.000 0.807 751 P CB 0.068 31.735 31.700 -0.055 0.000 1.150 752 G N 0.675 109.509 108.800 0.055 0.000 2.855 752 G HA2 -0.186 3.774 3.960 0.000 0.000 0.352 752 G HA3 -0.186 3.774 3.960 0.000 0.000 0.352 752 G C 0.171 175.112 174.900 0.070 0.000 1.415 752 G CA -0.169 44.983 45.100 0.087 0.000 0.871 752 G HN 0.320 nan 8.290 nan 0.000 0.543 753 V N -2.777 117.175 119.914 0.064 0.000 2.988 753 V HA 0.597 4.717 4.120 0.000 0.000 0.356 753 V C 1.208 177.332 176.094 0.050 0.000 1.380 753 V CA 1.024 63.354 62.300 0.050 0.000 1.184 753 V CB 0.216 32.071 31.823 0.053 0.000 1.204 753 V HN 2.250 nan 8.190 nan 0.000 0.530 754 V N -4.165 115.777 119.914 0.047 0.000 3.172 754 V HA 0.406 4.526 4.120 0.000 0.000 0.343 754 V C 0.844 176.938 176.094 0.000 0.000 1.429 754 V CA 0.122 62.444 62.300 0.036 0.000 1.149 754 V CB -0.828 31.036 31.823 0.067 0.000 1.106 754 V HN 0.654 nan 8.190 nan 0.000 0.526 755 C N 1.540 120.833 119.300 -0.012 0.000 4.365 755 C HA -0.186 4.274 4.460 0.000 0.000 0.299 755 C C 1.015 175.958 174.990 -0.077 0.000 1.409 755 C CA 1.251 60.236 59.018 -0.054 0.000 2.007 755 C CB -2.786 24.907 27.740 -0.078 0.000 1.264 755 C HN 0.904 nan 8.230 nan 0.000 0.777 756 T N 2.809 117.303 114.554 -0.100 0.000 2.928 756 T HA 0.241 4.591 4.350 0.000 0.000 0.305 756 T C 0.735 175.205 174.700 -0.383 0.000 1.035 756 T CA 0.941 62.898 62.100 -0.238 0.000 1.145 756 T CB 0.744 69.439 68.868 -0.288 0.000 0.963 756 T HN 0.617 nan 8.240 nan 0.000 0.545 757 T N 5.213 119.587 114.554 -0.301 0.000 2.737 757 T HA 0.152 4.502 4.350 0.000 0.000 0.296 757 T C 0.197 174.688 174.700 -0.348 0.000 0.922 757 T CA -0.353 61.601 62.100 -0.242 0.000 1.079 757 T CB -0.077 68.720 68.868 -0.119 0.000 0.892 757 T HN 0.469 nan 8.240 nan 0.000 0.514 758 H N 2.690 121.750 119.070 -0.017 0.000 2.472 758 H HA 0.470 5.026 4.556 0.000 0.000 0.335 758 H C 0.064 175.382 175.328 -0.016 0.000 1.136 758 H CA -0.551 55.489 56.048 -0.013 0.000 1.264 758 H CB 1.522 31.277 29.762 -0.010 0.000 1.486 758 H HN 0.638 nan 8.280 nan 0.000 0.517 759 E N 0.827 121.084 120.200 0.095 0.000 2.312 759 E HA 0.488 4.838 4.350 0.000 0.000 0.267 759 E C -1.092 175.530 176.600 0.036 0.000 0.894 759 E CA -0.792 55.631 56.400 0.038 0.000 0.773 759 E CB 2.931 32.638 29.700 0.011 0.000 1.241 759 E HN 0.401 nan 8.360 nan 0.000 0.432 760 C N 1.797 121.106 119.300 0.015 0.000 2.811 760 C HA 0.421 4.881 4.460 0.000 0.000 0.352 760 C C -1.393 173.601 174.990 0.006 0.000 1.098 760 C CA -0.298 58.732 59.018 0.019 0.000 1.295 760 C CB 0.915 28.670 27.740 0.025 0.000 1.758 760 C HN 0.969 nan 8.230 nan 0.000 0.488 761 E N 3.714 123.926 120.200 0.019 0.000 2.222 761 E HA 0.791 5.141 4.350 0.000 0.000 0.267 761 E C -1.000 175.628 176.600 0.048 0.000 0.884 761 E CA -0.525 55.887 56.400 0.020 0.000 0.764 761 E CB 2.041 31.749 29.700 0.014 0.000 1.169 761 E HN 0.897 nan 8.360 nan 0.000 0.413 762 V N 0.140 120.096 119.914 0.070 0.000 3.130 762 V HA 0.676 4.796 4.120 0.000 0.000 0.310 762 V C -0.123 176.034 176.094 0.105 0.000 1.158 762 V CA -0.638 61.724 62.300 0.102 0.000 1.029 762 V CB 1.273 33.197 31.823 0.168 0.000 1.057 762 V HN 0.797 nan 8.190 nan 0.000 0.436 763 T N 0.845 115.458 114.554 0.099 0.000 2.909 763 T HA 0.707 5.057 4.350 0.000 0.000 0.286 763 T C -0.276 174.495 174.700 0.118 0.000 1.002 763 T CA -0.593 61.562 62.100 0.092 0.000 1.074 763 T CB 1.040 69.948 68.868 0.067 0.000 0.984 763 T HN 0.727 nan 8.240 nan 0.000 0.495 764 L N 2.799 124.094 121.223 0.121 0.000 2.325 764 L HA 0.622 4.962 4.340 0.000 0.000 0.279 764 L C 0.744 177.681 176.870 0.111 0.000 1.054 764 L CA -0.691 54.239 54.840 0.150 0.000 0.804 764 L CB 1.669 43.834 42.059 0.177 0.000 1.200 764 L HN 0.998 nan 8.230 nan 0.000 0.436 765 S N 0.000 115.760 115.700 0.100 0.000 2.498 765 S HA 0.000 4.470 4.470 0.000 0.000 0.327 765 S CA 0.000 58.224 58.200 0.040 0.000 1.107 765 S CB 0.000 63.214 63.200 0.023 0.000 0.593 765 S HN 0.000 nan 8.310 nan 0.000 0.517