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 2biw_1_D DATA FIRST_RESID 12 DATA SEQUENCE QRSYSPQDWL RGYQSQPQEW DYWVEDVEGS IPPDLQGTLY RNGPGLLEIG DATA SEQUENCE DRPLKHPFDG DGMVTAFKFP GDGRVHFQSK FVRTQGYVEE QKAGKMIYRG DATA SEQUENCE VFGSQPAGGW LKTIFDLRLK NIANTNITYW GDRLLALWEG GQPHRLEPSN DATA SEQUENCE LATIGLDDLG GILAEGQPLS AHPRIDPAST FDGGQPCYVT FSIKSSLSST DATA SEQUENCE LTLLELDPQG KLLRQKTETF PGFAFIHDFA ITPHYAIFLQ NNVTLNGLPY DATA SEQUENCE LFGLRGAGEC VQFHPDKPAQ IILVPRDGGE IKRIPVQAGF VFHHANAFEE DATA SEQUENCE NGKIILDSIC YNSLPQVDTD GDFRSTNFDN LDPGQLWRFT IDPAAATVEK DATA SEQUENCE QLMVSRCCEF PVVHPQQVGR PYRYVYMGAA HHSTGNAPLQ AILKVDLESG DATA SEQUENCE TETLRSFAPH GFAGEPIFVP RPGGVAEDDG WLLCLIYKAD LHRSELVILD DATA SEQUENCE AQDITAPAIA TLKLKHHIPY PLHGSWAQT 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 176.076 176.000 0.127 0.000 1.003 12 Q CA 0.000 55.829 55.803 0.043 0.000 1.022 12 Q CB 0.000 28.760 28.738 0.037 0.000 1.108 13 R N 0.013 120.529 120.500 0.027 0.000 2.664 13 R HA 0.507 4.848 4.340 0.001 0.000 0.286 13 R C 0.685 176.936 176.300 -0.081 0.000 0.967 13 R CA -0.312 55.760 56.100 -0.048 0.000 0.933 13 R CB 1.281 31.306 30.300 -0.458 0.000 1.146 13 R HN 0.733 nan 8.270 nan 0.000 0.468 14 S N 0.848 116.489 115.700 -0.098 0.000 2.679 14 S HA 0.093 4.564 4.470 0.001 0.000 0.233 14 S C -0.267 174.280 174.600 -0.089 0.000 0.951 14 S CA -0.363 57.723 58.200 -0.190 0.000 0.973 14 S CB -0.490 62.455 63.200 -0.426 0.000 0.778 14 S HN 0.602 nan 8.310 nan 0.000 0.477 15 Y N -1.399 118.832 120.300 -0.114 0.000 2.624 15 Y HA 0.748 5.299 4.550 0.001 0.000 0.334 15 Y C -0.796 175.160 175.900 0.094 0.000 1.155 15 Y CA -1.260 56.845 58.100 0.007 0.000 1.046 15 Y CB 0.561 39.079 38.460 0.097 0.000 1.316 15 Y HN 0.091 nan 8.280 nan 0.000 0.457 16 S N 0.625 116.445 115.700 0.199 0.000 2.565 16 S HA 0.539 5.010 4.470 0.001 0.000 0.290 16 S C -2.447 172.422 174.600 0.449 0.000 1.150 16 S CA -1.558 56.728 58.200 0.145 0.000 1.058 16 S CB 2.056 65.345 63.200 0.149 0.000 1.032 16 S HN 0.568 nan 8.310 nan 0.000 0.510 17 P HA -0.170 nan 4.420 nan 0.000 0.215 17 P C 1.523 179.085 177.300 0.436 0.000 1.157 17 P CA 1.432 64.847 63.100 0.525 0.000 0.874 17 P CB -0.024 31.897 31.700 0.368 0.000 0.790 18 Q N -0.516 119.446 119.800 0.271 0.000 2.077 18 Q HA -0.221 4.120 4.340 0.001 0.000 0.206 18 Q C 1.859 177.969 176.000 0.184 0.000 0.989 18 Q CA 1.664 57.575 55.803 0.181 0.000 0.853 18 Q CB -0.876 27.939 28.738 0.127 0.000 0.907 18 Q HN 0.305 nan 8.270 nan 0.000 0.418 19 D N -0.152 120.409 120.400 0.268 0.000 2.097 19 D HA -0.157 4.483 4.640 0.001 0.000 0.195 19 D C 1.362 177.770 176.300 0.182 0.000 0.989 19 D CA 0.820 55.003 54.000 0.306 0.000 0.827 19 D CB -0.407 40.697 40.800 0.508 0.000 0.966 19 D HN 0.337 nan 8.370 nan 0.000 0.456 20 W N 1.605 122.895 121.300 -0.016 0.000 2.333 20 W HA -0.148 4.513 4.660 0.001 0.000 0.316 20 W C 2.056 178.565 176.519 -0.017 0.000 1.215 20 W CA 1.271 58.423 57.345 -0.321 0.000 1.278 20 W CB -0.738 28.685 29.460 -0.062 0.000 1.154 20 W HN -0.061 nan 8.180 nan 0.000 0.486 21 L N 0.418 121.569 121.223 -0.119 0.000 2.043 21 L HA -0.272 4.069 4.340 0.001 0.000 0.212 21 L C 2.808 179.547 176.870 -0.218 0.000 1.075 21 L CA 1.971 56.658 54.840 -0.256 0.000 0.752 21 L CB -0.956 41.064 42.059 -0.064 0.000 0.891 21 L HN -0.003 nan 8.230 nan 0.000 0.432 22 R N 0.015 120.420 120.500 -0.159 0.000 2.154 22 R HA -0.180 4.160 4.340 0.001 0.000 0.248 22 R C 2.068 178.113 176.300 -0.426 0.000 1.155 22 R CA 1.380 57.344 56.100 -0.225 0.000 0.979 22 R CB -0.414 29.806 30.300 -0.134 0.000 0.869 22 R HN 0.456 nan 8.270 nan 0.000 0.452 23 G N -1.751 106.584 108.800 -0.774 0.000 2.650 23 G HA2 -0.198 3.762 3.960 0.001 0.000 0.214 23 G HA3 -0.198 3.762 3.960 0.001 0.000 0.214 23 G C 0.762 174.855 174.900 -1.346 0.000 1.136 23 G CA 0.121 44.144 45.100 -1.795 0.000 0.789 23 G HN 0.398 nan 8.290 nan 0.000 0.536 24 Y N 0.054 120.015 120.300 -0.565 0.000 2.466 24 Y HA 0.242 4.793 4.550 0.002 0.000 0.272 24 Y C 1.504 177.373 175.900 -0.052 0.000 1.169 24 Y CA -0.610 57.355 58.100 -0.225 0.000 1.285 24 Y CB 0.351 38.786 38.460 -0.042 0.000 1.078 24 Y HN 0.143 nan 8.280 nan 0.000 0.523 25 Q N 0.547 120.391 119.800 0.074 0.000 2.361 25 Q HA 0.065 4.406 4.340 0.001 0.000 0.276 25 Q C 0.331 176.531 176.000 0.333 0.000 1.022 25 Q CA -0.058 55.844 55.803 0.166 0.000 0.898 25 Q CB 0.698 29.476 28.738 0.067 0.000 1.246 25 Q HN 0.160 nan 8.270 nan 0.000 0.410 26 S N 2.143 117.996 115.700 0.254 0.000 2.559 26 S HA -0.056 4.415 4.470 0.001 0.000 0.282 26 S C -0.084 174.680 174.600 0.273 0.000 1.336 26 S CA -0.055 58.292 58.200 0.244 0.000 1.037 26 S CB 0.476 63.791 63.200 0.192 0.000 0.853 26 S HN 0.437 nan 8.310 nan 0.000 0.523 27 Q N 2.100 122.028 119.800 0.213 0.000 2.700 27 Q HA 0.363 4.704 4.340 0.001 0.000 0.249 27 Q C -2.273 173.929 176.000 0.338 0.000 1.033 27 Q CA -2.212 53.701 55.803 0.183 0.000 0.804 27 Q CB 0.924 29.647 28.738 -0.026 0.000 1.164 27 Q HN 0.224 nan 8.270 nan 0.000 0.500 28 P HA -0.099 nan 4.420 nan 0.000 0.221 28 P C -0.307 177.085 177.300 0.153 0.000 1.150 28 P CA 0.574 63.780 63.100 0.177 0.000 0.800 28 P CB 0.370 32.114 31.700 0.073 0.000 0.787 29 Q N 0.883 120.718 119.800 0.057 0.000 2.267 29 Q HA 0.143 4.484 4.340 0.001 0.000 0.255 29 Q C -0.444 175.390 176.000 -0.277 0.000 0.923 29 Q CA -0.065 55.595 55.803 -0.239 0.000 0.925 29 Q CB 0.339 28.718 28.738 -0.598 0.000 1.195 29 Q HN 0.136 nan 8.270 nan 0.000 0.417 30 E N 3.322 123.368 120.200 -0.257 0.000 2.249 30 E HA 0.285 4.635 4.350 0.001 0.000 0.280 30 E C -1.040 175.376 176.600 -0.307 0.000 1.016 30 E CA -0.223 56.087 56.400 -0.150 0.000 0.830 30 E CB 0.837 30.521 29.700 -0.026 0.000 1.081 30 E HN 0.510 nan 8.360 nan 0.000 0.395 31 W N 1.025 122.311 121.300 -0.023 0.000 2.799 31 W HA 0.376 5.037 4.660 0.002 0.000 0.349 31 W C -0.591 175.926 176.519 -0.004 0.000 1.100 31 W CA -0.408 56.999 57.345 0.103 0.000 1.174 31 W CB 1.549 31.239 29.460 0.382 0.000 1.427 31 W HN 0.343 nan 8.180 nan 0.000 0.547 32 D N 1.478 122.111 120.400 0.388 0.000 2.300 32 D HA 0.227 4.868 4.640 0.001 0.000 0.218 32 D C -1.670 174.763 176.300 0.223 0.000 1.326 32 D CA -0.398 53.671 54.000 0.114 0.000 0.942 32 D CB 0.107 40.980 40.800 0.121 0.000 1.495 32 D HN 0.331 nan 8.370 nan 0.000 0.545 33 Y N -0.152 119.947 120.300 -0.334 0.000 2.687 33 Y HA 0.591 5.141 4.550 -0.001 0.000 0.338 33 Y C -1.738 173.826 175.900 -0.560 0.000 1.189 33 Y CA -1.715 56.258 58.100 -0.212 0.000 1.097 33 Y CB 0.468 38.968 38.460 0.067 0.000 1.342 33 Y HN 0.069 nan 8.280 nan 0.000 0.461 34 W N 2.627 123.970 121.300 0.072 0.000 2.345 34 W HA 0.563 5.227 4.660 0.007 0.000 0.308 34 W C -0.514 176.094 176.519 0.148 0.000 1.273 34 W CA -0.704 56.672 57.345 0.052 0.000 1.243 34 W CB 1.262 30.803 29.460 0.136 0.000 1.260 34 W HN 0.426 nan 8.180 nan 0.000 0.509 35 V N 4.318 124.361 119.914 0.216 0.000 2.529 35 V HA -0.078 4.043 4.120 0.001 0.000 0.292 35 V C 0.690 176.908 176.094 0.206 0.000 1.028 35 V CA 0.400 62.831 62.300 0.217 0.000 1.074 35 V CB 0.771 32.643 31.823 0.082 0.000 0.958 35 V HN 0.700 nan 8.190 nan 0.000 0.481 36 E N 1.540 121.838 120.200 0.163 0.000 2.413 36 E HA 0.035 4.386 4.350 0.001 0.000 0.203 36 E C 0.359 176.994 176.600 0.058 0.000 0.957 36 E CA -0.017 56.447 56.400 0.106 0.000 0.950 36 E CB 0.408 30.160 29.700 0.088 0.000 0.957 36 E HN 0.725 nan 8.360 nan 0.000 0.497 37 D N 1.378 121.802 120.400 0.040 0.000 2.524 37 D HA 0.103 4.744 4.640 0.001 0.000 0.222 37 D C -1.300 175.005 176.300 0.008 0.000 1.142 37 D CA -0.154 53.851 54.000 0.009 0.000 0.973 37 D CB 0.388 41.176 40.800 -0.020 0.000 1.025 37 D HN -0.215 nan 8.370 nan 0.000 0.519 38 V N 3.582 123.508 119.914 0.019 0.000 2.357 38 V HA 0.273 4.394 4.120 0.001 0.000 0.284 38 V C 0.371 176.471 176.094 0.009 0.000 1.018 38 V CA -0.855 61.456 62.300 0.019 0.000 0.841 38 V CB 1.635 33.480 31.823 0.038 0.000 0.991 38 V HN 0.281 nan 8.190 nan 0.000 0.437 39 E N 3.073 123.274 120.200 0.002 0.000 2.301 39 E HA 0.612 4.963 4.350 0.001 0.000 0.275 39 E C 0.773 177.375 176.600 0.002 0.000 1.030 39 E CA 0.562 56.963 56.400 0.002 0.000 0.852 39 E CB 1.570 31.270 29.700 0.001 0.000 1.060 39 E HN 1.021 nan 8.360 nan 0.000 0.401 40 G N 2.029 110.831 108.800 0.004 0.000 2.553 40 G HA2 -0.240 3.721 3.960 0.001 0.000 0.242 40 G HA3 -0.240 3.721 3.960 0.001 0.000 0.242 40 G C -0.477 174.424 174.900 0.003 0.000 1.277 40 G CA -0.201 44.901 45.100 0.003 0.000 0.910 40 G HN 0.565 nan 8.290 nan 0.000 0.576 41 S N -0.728 114.970 115.700 -0.003 0.000 2.707 41 S HA 0.629 5.100 4.470 0.001 0.000 0.303 41 S C 0.092 174.676 174.600 -0.026 0.000 1.132 41 S CA -0.520 57.677 58.200 -0.004 0.000 1.046 41 S CB 0.581 63.783 63.200 0.002 0.000 1.004 41 S HN 0.795 nan 8.310 nan 0.000 0.483 42 I N 6.120 126.677 120.570 -0.022 0.000 2.587 42 I HA 0.194 4.364 4.170 0.001 0.000 0.284 42 I C -1.941 174.112 176.117 -0.107 0.000 1.134 42 I CA -1.641 59.623 61.300 -0.061 0.000 1.410 42 I CB 0.641 38.666 38.000 0.042 0.000 1.392 42 I HN 0.452 nan 8.210 nan 0.000 0.545 43 P HA 0.064 nan 4.420 nan 0.000 0.263 43 P C -2.089 175.105 177.300 -0.177 0.000 1.195 43 P CA -0.995 61.976 63.100 -0.215 0.000 0.762 43 P CB 0.136 31.566 31.700 -0.450 0.000 0.799 44 P HA -0.160 nan 4.420 nan 0.000 0.218 44 P C 0.714 178.012 177.300 -0.003 0.000 1.149 44 P CA 1.426 64.521 63.100 -0.007 0.000 0.817 44 P CB -0.088 31.626 31.700 0.024 0.000 0.785 45 D N -1.133 119.277 120.400 0.016 0.000 2.328 45 D HA -0.009 4.632 4.640 0.001 0.000 0.226 45 D C 0.404 176.724 176.300 0.033 0.000 1.066 45 D CA -0.067 53.989 54.000 0.093 0.000 0.861 45 D CB -0.722 40.201 40.800 0.204 0.000 0.912 45 D HN 0.156 nan 8.370 nan 0.000 0.521 46 L N 0.778 121.822 121.223 -0.298 0.000 2.261 46 L HA 0.339 4.679 4.340 0.001 0.000 0.289 46 L C -0.949 175.855 176.870 -0.110 0.000 1.059 46 L CA 0.137 54.649 54.840 -0.546 0.000 0.816 46 L CB 0.767 42.053 42.059 -1.289 0.000 1.191 46 L HN -0.123 nan 8.230 nan 0.000 0.431 47 Q N 4.330 124.257 119.800 0.213 0.000 2.263 47 Q HA 0.736 5.077 4.340 0.001 0.000 0.266 47 Q C -0.422 175.722 176.000 0.240 0.000 1.002 47 Q CA -0.391 55.569 55.803 0.262 0.000 0.790 47 Q CB 2.232 31.064 28.738 0.158 0.000 1.272 47 Q HN 0.988 nan 8.270 nan 0.000 0.435 48 G N 0.836 109.706 108.800 0.116 0.000 2.320 48 G HA2 0.057 4.017 3.960 0.001 0.000 0.274 48 G HA3 0.057 4.017 3.960 0.001 0.000 0.274 48 G C -1.315 173.410 174.900 -0.291 0.000 1.324 48 G CA -0.769 44.111 45.100 -0.366 0.000 0.957 48 G HN 0.373 nan 8.290 nan 0.000 0.481 49 T N 0.477 114.638 114.554 -0.655 0.000 2.848 49 T HA 0.553 4.904 4.350 0.001 0.000 0.285 49 T C -0.874 173.649 174.700 -0.296 0.000 0.995 49 T CA -0.333 61.513 62.100 -0.424 0.000 0.970 49 T CB 1.789 70.167 68.868 -0.818 0.000 0.976 49 T HN 0.912 nan 8.240 nan 0.000 0.441 50 L N 4.676 126.048 121.223 0.248 0.000 2.259 50 L HA 0.481 4.822 4.340 0.001 0.000 0.288 50 L C -1.414 175.537 176.870 0.135 0.000 1.051 50 L CA -0.398 54.689 54.840 0.412 0.000 0.824 50 L CB -0.507 41.895 42.059 0.572 0.000 1.206 50 L HN 0.554 nan 8.230 nan 0.000 0.429 51 Y N 4.765 125.200 120.300 0.225 0.000 2.310 51 Y HA 0.675 5.227 4.550 0.003 0.000 0.326 51 Y C 0.458 176.456 175.900 0.162 0.000 1.151 51 Y CA -0.319 57.865 58.100 0.139 0.000 1.195 51 Y CB 1.149 39.665 38.460 0.093 0.000 1.210 51 Y HN 0.547 nan 8.280 nan 0.000 0.483 52 R N 2.151 122.822 120.500 0.285 0.000 2.668 52 R HA 0.431 4.772 4.340 0.001 0.000 0.272 52 R C -1.832 174.549 176.300 0.134 0.000 1.019 52 R CA -0.726 55.497 56.100 0.206 0.000 0.894 52 R CB 1.506 31.918 30.300 0.186 0.000 1.228 52 R HN 0.756 nan 8.270 nan 0.000 0.460 53 N N 0.482 119.252 118.700 0.118 0.000 2.380 53 N HA 0.781 5.522 4.740 0.001 0.000 0.290 53 N C -1.403 174.155 175.510 0.081 0.000 1.236 53 N CA 0.055 53.151 53.050 0.077 0.000 0.780 53 N CB 2.371 40.915 38.487 0.095 0.000 1.438 53 N HN 0.816 nan 8.380 nan 0.000 0.491 54 G N 0.404 109.239 108.800 0.059 0.000 2.328 54 G HA2 0.266 4.227 3.960 0.001 0.000 0.295 54 G HA3 0.266 4.227 3.960 0.001 0.000 0.295 54 G C -3.271 171.673 174.900 0.072 0.000 1.413 54 G CA -0.760 44.396 45.100 0.093 0.000 0.817 54 G HN 0.409 nan 8.290 nan 0.000 0.546 55 P HA 0.307 nan 4.420 nan 0.000 0.276 55 P C 0.670 178.042 177.300 0.120 0.000 1.235 55 P CA 0.365 63.550 63.100 0.141 0.000 0.772 55 P CB 1.501 33.309 31.700 0.179 0.000 0.871 56 G N 2.892 111.789 108.800 0.163 0.000 2.781 56 G HA2 0.217 4.178 3.960 0.001 0.000 0.208 56 G HA3 0.217 4.178 3.960 0.001 0.000 0.208 56 G C 0.033 175.181 174.900 0.414 0.000 1.099 56 G CA -0.017 45.200 45.100 0.194 0.000 0.776 56 G HN 0.360 nan 8.290 nan 0.000 0.532 57 L N 0.769 122.222 121.223 0.383 0.000 2.341 57 L HA 0.527 4.867 4.340 0.001 0.000 0.278 57 L C 0.145 177.117 176.870 0.171 0.000 1.005 57 L CA -0.623 54.359 54.840 0.237 0.000 0.818 57 L CB 2.373 44.524 42.059 0.153 0.000 1.259 57 L HN -0.056 nan 8.230 nan 0.000 0.418 58 L N 2.010 123.323 121.223 0.149 0.000 2.858 58 L HA 0.254 4.595 4.340 0.001 0.000 0.251 58 L C 0.146 177.091 176.870 0.125 0.000 1.149 58 L CA 0.135 55.053 54.840 0.130 0.000 0.955 58 L CB 0.278 42.434 42.059 0.160 0.000 1.289 58 L HN 0.616 nan 8.230 nan 0.000 0.542 59 E N 0.352 120.614 120.200 0.104 0.000 2.412 59 E HA 0.500 4.851 4.350 0.001 0.000 0.279 59 E C -1.180 175.455 176.600 0.058 0.000 0.984 59 E CA -0.653 55.794 56.400 0.079 0.000 0.788 59 E CB 2.186 31.925 29.700 0.065 0.000 1.277 59 E HN -0.026 nan 8.360 nan 0.000 0.455 60 I N 1.518 122.114 120.570 0.042 0.000 2.478 60 I HA 0.529 4.699 4.170 0.001 0.000 0.287 60 I C 0.890 177.010 176.117 0.005 0.000 1.042 60 I CA 0.132 61.442 61.300 0.017 0.000 1.067 60 I CB 1.644 39.657 38.000 0.021 0.000 1.233 60 I HN 0.965 nan 8.210 nan 0.000 0.431 61 G N 5.437 114.230 108.800 -0.012 0.000 2.611 61 G HA2 -0.345 3.615 3.960 0.001 0.000 0.301 61 G HA3 -0.345 3.615 3.960 0.001 0.000 0.301 61 G C 0.269 175.168 174.900 -0.001 0.000 1.233 61 G CA 0.771 45.863 45.100 -0.013 0.000 0.993 61 G HN 0.846 nan 8.290 nan 0.000 0.553 62 D N 0.702 121.102 120.400 -0.000 0.000 2.358 62 D HA 0.223 4.864 4.640 0.001 0.000 0.224 62 D C 1.003 177.310 176.300 0.012 0.000 1.123 62 D CA 0.077 54.080 54.000 0.005 0.000 0.833 62 D CB 0.002 40.802 40.800 -0.000 0.000 0.946 62 D HN 0.553 nan 8.370 nan 0.000 0.505 63 R N 1.379 121.890 120.500 0.019 0.000 2.272 63 R HA 0.350 4.691 4.340 0.001 0.000 0.323 63 R C -2.691 173.637 176.300 0.046 0.000 1.002 63 R CA -1.751 54.367 56.100 0.029 0.000 0.900 63 R CB 1.388 31.706 30.300 0.030 0.000 1.151 63 R HN 0.050 nan 8.270 nan 0.000 0.507 64 P HA 0.016 nan 4.420 nan 0.000 0.271 64 P C 0.019 177.380 177.300 0.102 0.000 1.216 64 P CA -0.080 63.062 63.100 0.069 0.000 0.776 64 P CB 0.670 32.393 31.700 0.039 0.000 0.881 65 L N 2.842 124.148 121.223 0.140 0.000 2.461 65 L HA 0.082 4.423 4.340 0.001 0.000 0.272 65 L C 1.956 178.962 176.870 0.227 0.000 1.197 65 L CA 0.119 55.055 54.840 0.161 0.000 0.836 65 L CB 0.187 42.325 42.059 0.132 0.000 1.105 65 L HN 0.540 nan 8.230 nan 0.000 0.477 66 K N 1.038 121.565 120.400 0.212 0.000 2.217 66 K HA -0.063 4.258 4.320 0.001 0.000 0.202 66 K C 0.364 177.171 176.600 0.346 0.000 1.051 66 K CA 1.015 57.452 56.287 0.250 0.000 0.952 66 K CB 0.262 32.884 32.500 0.204 0.000 0.736 66 K HN 0.502 nan 8.250 nan 0.000 0.453 67 H N -1.401 117.701 119.070 0.053 0.000 3.086 67 H HA 0.111 4.668 4.556 0.001 0.000 0.353 67 H C -2.437 172.589 175.328 -0.502 0.000 1.134 67 H CA -1.560 54.295 56.048 -0.321 0.000 1.248 67 H CB 2.392 31.994 29.762 -0.266 0.000 1.878 67 H HN -0.177 nan 8.280 nan 0.000 0.527 68 P HA -0.158 nan 4.420 nan 0.000 0.217 68 P C 1.401 178.733 177.300 0.053 0.000 1.148 68 P CA 1.007 63.735 63.100 -0.621 0.000 0.828 68 P CB 0.009 31.134 31.700 -0.959 0.000 0.783 69 F N 0.717 120.730 119.950 0.104 0.000 2.408 69 F HA -0.082 4.446 4.527 0.001 0.000 0.300 69 F C 1.725 177.673 175.800 0.246 0.000 1.090 69 F CA 0.334 58.385 58.000 0.086 0.000 1.427 69 F CB -1.457 37.290 39.000 -0.423 0.000 1.070 69 F HN -0.013 nan 8.300 nan 0.000 0.549 70 D N -0.365 120.277 120.400 0.404 0.000 2.355 70 D HA 0.051 4.691 4.640 0.001 0.000 0.218 70 D C 1.538 177.951 176.300 0.189 0.000 1.004 70 D CA 0.299 54.497 54.000 0.331 0.000 0.880 70 D CB -0.176 40.797 40.800 0.289 0.000 0.911 70 D HN 0.124 nan 8.370 nan 0.000 0.528 71 G N 0.932 109.834 108.800 0.170 0.000 2.365 71 G HA2 0.011 3.971 3.960 0.001 0.000 0.249 71 G HA3 0.011 3.971 3.960 0.001 0.000 0.249 71 G C 0.021 174.987 174.900 0.111 0.000 1.288 71 G CA -0.416 44.764 45.100 0.135 0.000 0.887 71 G HN -0.061 nan 8.290 nan 0.000 0.524 72 D N 1.239 121.713 120.400 0.123 0.000 2.586 72 D HA 0.071 4.712 4.640 0.001 0.000 0.234 72 D C 1.239 177.595 176.300 0.093 0.000 1.132 72 D CA 0.810 54.870 54.000 0.100 0.000 0.860 72 D CB 0.859 41.773 40.800 0.189 0.000 1.159 72 D HN 0.453 nan 8.370 nan 0.000 0.490 73 G N 2.710 111.496 108.800 -0.024 0.000 2.202 73 G HA2 0.167 4.128 3.960 0.001 0.000 0.251 73 G HA3 0.167 4.128 3.960 0.001 0.000 0.251 73 G C -0.017 174.777 174.900 -0.177 0.000 1.219 73 G CA -0.234 44.827 45.100 -0.065 0.000 0.943 73 G HN 0.461 nan 8.290 nan 0.000 0.465 74 M N 4.158 123.596 119.600 -0.272 0.000 2.151 74 M HA 0.422 4.903 4.480 0.001 0.000 0.290 74 M C -1.211 174.900 176.300 -0.316 0.000 0.965 74 M CA -0.610 54.345 55.300 -0.575 0.000 0.930 74 M CB 1.896 33.910 32.600 -0.977 0.000 1.560 74 M HN 0.227 nan 8.290 nan 0.000 0.438 75 V N 3.818 123.571 119.914 -0.269 0.000 2.532 75 V HA 0.673 4.793 4.120 0.001 0.000 0.295 75 V C 0.195 176.190 176.094 -0.164 0.000 1.041 75 V CA -0.226 61.993 62.300 -0.135 0.000 0.926 75 V CB 2.106 33.879 31.823 -0.084 0.000 0.992 75 V HN 0.922 nan 8.190 nan 0.000 0.457 76 T N 1.725 116.219 114.554 -0.100 0.000 2.916 76 T HA 0.892 5.243 4.350 0.001 0.000 0.292 76 T C -0.672 173.926 174.700 -0.170 0.000 1.055 76 T CA -0.622 61.348 62.100 -0.217 0.000 1.009 76 T CB 2.074 70.899 68.868 -0.072 0.000 1.118 76 T HN 1.117 nan 8.240 nan 0.000 0.497 77 A N 1.765 124.315 122.820 -0.448 0.000 2.408 77 A HA 0.713 5.033 4.320 0.001 0.000 0.295 77 A C -1.289 175.969 177.584 -0.544 0.000 1.040 77 A CA -0.855 50.951 52.037 -0.385 0.000 0.707 77 A CB 0.776 19.554 19.000 -0.371 0.000 1.235 77 A HN 0.752 nan 8.150 nan 0.000 0.418 78 F N 2.023 121.816 119.950 -0.261 0.000 2.385 78 F HA 0.443 4.969 4.527 -0.001 0.000 0.360 78 F C 0.696 176.225 175.800 -0.452 0.000 1.122 78 F CA -0.033 57.770 58.000 -0.329 0.000 1.090 78 F CB 1.742 40.641 39.000 -0.169 0.000 1.150 78 F HN 0.522 nan 8.300 nan 0.000 0.472 79 K N 5.070 125.208 120.400 -0.435 0.000 2.265 79 K HA 0.472 4.793 4.320 0.001 0.000 0.267 79 K C -1.634 174.750 176.600 -0.360 0.000 0.994 79 K CA -0.483 55.609 56.287 -0.325 0.000 0.860 79 K CB 0.677 32.997 32.500 -0.300 0.000 1.099 79 K HN 0.465 nan 8.250 nan 0.000 0.448 80 F N 6.468 126.469 119.950 0.086 0.000 2.347 80 F HA 0.311 4.836 4.527 -0.003 0.000 0.366 80 F C -1.635 174.227 175.800 0.105 0.000 1.107 80 F CA -2.233 55.845 58.000 0.129 0.000 1.058 80 F CB 1.670 40.760 39.000 0.150 0.000 1.236 80 F HN 0.513 nan 8.300 nan 0.000 0.456 81 P HA 0.064 nan 4.420 nan 0.000 0.222 81 P C 1.247 178.639 177.300 0.153 0.000 1.153 81 P CA 1.471 64.682 63.100 0.186 0.000 0.798 81 P CB 0.454 32.270 31.700 0.194 0.000 0.796 82 G N -0.155 108.747 108.800 0.170 0.000 2.184 82 G HA2 -0.190 3.771 3.960 0.001 0.000 0.206 82 G HA3 -0.190 3.771 3.960 0.001 0.000 0.206 82 G C 0.555 175.501 174.900 0.077 0.000 0.995 82 G CA 0.374 45.539 45.100 0.107 0.000 0.651 82 G HN 0.454 nan 8.290 nan 0.000 0.511 83 D N 0.357 120.805 120.400 0.081 0.000 2.340 83 D HA 0.377 5.018 4.640 0.001 0.000 0.220 83 D C 1.860 178.184 176.300 0.040 0.000 1.039 83 D CA 0.874 54.899 54.000 0.042 0.000 0.866 83 D CB -0.427 40.379 40.800 0.009 0.000 0.913 83 D HN 1.624 nan 8.370 nan 0.000 0.523 84 G N 0.072 108.915 108.800 0.072 0.000 2.194 84 G HA2 -0.272 3.689 3.960 0.001 0.000 0.236 84 G HA3 -0.272 3.689 3.960 0.001 0.000 0.236 84 G C 0.406 175.364 174.900 0.097 0.000 0.987 84 G CA -0.100 45.040 45.100 0.067 0.000 0.635 84 G HN 0.448 nan 8.290 nan 0.000 0.520 85 R N -0.827 119.747 120.500 0.123 0.000 2.608 85 R HA 0.800 5.141 4.340 0.001 0.000 0.255 85 R C -0.801 175.687 176.300 0.313 0.000 1.086 85 R CA -0.290 55.927 56.100 0.195 0.000 1.125 85 R CB 2.164 32.519 30.300 0.092 0.000 1.193 85 R HN 0.468 nan 8.270 nan 0.000 0.553 86 V N 0.905 121.051 119.914 0.387 0.000 2.752 86 V HA 0.188 4.308 4.120 0.001 0.000 0.302 86 V C -1.695 174.370 176.094 -0.049 0.000 1.133 86 V CA -0.639 61.703 62.300 0.069 0.000 0.919 86 V CB 1.678 33.381 31.823 -0.200 0.000 1.026 86 V HN 0.805 nan 8.190 nan 0.000 0.429 87 H N 5.695 124.352 119.070 -0.688 0.000 2.489 87 H HA 0.606 5.162 4.556 -0.000 0.000 0.322 87 H C -1.259 173.602 175.328 -0.779 0.000 1.091 87 H CA -0.210 55.145 56.048 -1.155 0.000 1.291 87 H CB 1.372 30.041 29.762 -1.822 0.000 1.436 87 H HN 0.644 nan 8.280 nan 0.000 0.480 88 F N 4.374 123.490 119.950 -1.391 0.000 2.443 88 F HA 0.398 4.925 4.527 0.000 0.000 0.335 88 F C -0.913 174.208 175.800 -1.132 0.000 1.104 88 F CA -0.429 56.795 58.000 -1.294 0.000 1.013 88 F CB 1.309 39.455 39.000 -1.423 0.000 1.136 88 F HN 0.630 nan 8.300 nan 0.000 0.470 89 Q N 3.603 122.377 119.800 -1.711 0.000 2.379 89 Q HA 0.649 4.990 4.340 0.001 0.000 0.278 89 Q C -1.779 173.530 176.000 -1.152 0.000 1.068 89 Q CA -0.750 54.405 55.803 -1.080 0.000 0.816 89 Q CB 2.195 30.640 28.738 -0.487 0.000 1.387 89 Q HN 0.812 nan 8.270 nan 0.000 0.413 90 S N 2.225 117.570 115.700 -0.592 0.000 2.541 90 S HA 0.771 5.242 4.470 0.001 0.000 0.271 90 S C -1.318 173.169 174.600 -0.190 0.000 1.133 90 S CA -0.913 57.076 58.200 -0.352 0.000 0.876 90 S CB 2.086 65.184 63.200 -0.169 0.000 1.105 90 S HN 0.547 nan 8.310 nan 0.000 0.470 91 K N 0.706 120.980 120.400 -0.211 0.000 2.532 91 K HA 0.450 4.770 4.320 0.001 0.000 0.265 91 K C -1.653 174.772 176.600 -0.291 0.000 0.948 91 K CA -0.606 55.590 56.287 -0.151 0.000 0.842 91 K CB 1.749 34.194 32.500 -0.091 0.000 1.392 91 K HN 0.612 nan 8.250 nan 0.000 0.436 92 F N 1.258 121.096 119.950 -0.187 0.000 2.412 92 F HA 0.116 4.644 4.527 0.002 0.000 0.348 92 F C 0.729 176.317 175.800 -0.353 0.000 1.102 92 F CA -0.409 57.374 58.000 -0.362 0.000 1.196 92 F CB 0.885 39.492 39.000 -0.654 0.000 1.144 92 F HN 0.047 nan 8.300 nan 0.000 0.541 93 V N 5.005 124.786 119.914 -0.221 0.000 2.599 93 V HA -0.001 4.119 4.120 0.001 0.000 0.300 93 V C 0.659 176.621 176.094 -0.220 0.000 1.034 93 V CA -0.212 61.962 62.300 -0.209 0.000 1.115 93 V CB 0.246 31.916 31.823 -0.255 0.000 0.934 93 V HN 0.604 nan 8.190 nan 0.000 0.485 94 R N 3.024 123.469 120.500 -0.093 0.000 4.071 94 R HA 0.171 4.511 4.340 0.001 0.000 0.220 94 R C 0.649 176.951 176.300 0.002 0.000 1.614 94 R CA -0.195 55.932 56.100 0.046 0.000 1.505 94 R CB -0.167 30.195 30.300 0.105 0.000 1.384 94 R HN 0.910 nan 8.270 nan 0.000 0.758 95 T N -2.639 111.843 114.554 -0.120 0.000 2.903 95 T HA -0.069 4.282 4.350 0.001 0.000 0.314 95 T C 1.320 176.054 174.700 0.057 0.000 1.078 95 T CA -0.398 61.627 62.100 -0.124 0.000 1.114 95 T CB 1.640 70.369 68.868 -0.232 0.000 0.987 95 T HN 0.433 nan 8.240 nan 0.000 0.548 96 Q N 1.952 121.802 119.800 0.083 0.000 2.112 96 Q HA -0.141 4.200 4.340 0.001 0.000 0.206 96 Q C 2.290 178.303 176.000 0.021 0.000 0.987 96 Q CA 2.123 57.958 55.803 0.054 0.000 0.858 96 Q CB -0.948 27.815 28.738 0.041 0.000 0.905 96 Q HN 1.018 nan 8.270 nan 0.000 0.420 97 G N -0.610 108.156 108.800 -0.057 0.000 2.394 97 G HA2 -0.296 3.665 3.960 0.001 0.000 0.214 97 G HA3 -0.296 3.665 3.960 0.001 0.000 0.214 97 G C 1.111 176.046 174.900 0.059 0.000 1.176 97 G CA 0.720 45.772 45.100 -0.081 0.000 0.786 97 G HN 0.472 nan 8.290 nan 0.000 0.533 98 Y N 1.461 121.722 120.300 -0.066 0.000 2.053 98 Y HA -0.214 4.337 4.550 0.001 0.000 0.277 98 Y C 2.900 178.776 175.900 -0.040 0.000 1.159 98 Y CA 1.946 60.012 58.100 -0.057 0.000 1.125 98 Y CB -0.596 37.822 38.460 -0.071 0.000 0.969 98 Y HN 0.032 nan 8.280 nan 0.000 0.492 99 V N 0.576 120.463 119.914 -0.045 0.000 2.252 99 V HA -0.361 3.760 4.120 0.001 0.000 0.249 99 V C 2.326 178.354 176.094 -0.112 0.000 1.056 99 V CA 2.388 64.623 62.300 -0.109 0.000 1.022 99 V CB -0.792 31.039 31.823 0.014 0.000 0.641 99 V HN 0.440 nan 8.190 nan 0.000 0.445 100 E N -0.370 119.817 120.200 -0.021 0.000 2.070 100 E HA -0.266 4.085 4.350 0.001 0.000 0.197 100 E C 2.316 178.895 176.600 -0.036 0.000 1.004 100 E CA 1.819 58.225 56.400 0.011 0.000 0.805 100 E CB -0.102 29.672 29.700 0.123 0.000 0.744 100 E HN 0.687 nan 8.360 nan 0.000 0.451 101 E N -0.184 119.989 120.200 -0.044 0.000 2.072 101 E HA -0.176 4.175 4.350 0.001 0.000 0.190 101 E C 2.218 178.715 176.600 -0.172 0.000 0.982 101 E CA 0.610 56.965 56.400 -0.076 0.000 0.803 101 E CB 0.082 29.769 29.700 -0.021 0.000 0.755 101 E HN 0.158 nan 8.360 nan 0.000 0.453 102 Q N 0.883 120.488 119.800 -0.324 0.000 2.135 102 Q HA -0.212 4.129 4.340 0.001 0.000 0.204 102 Q C 2.023 177.895 176.000 -0.212 0.000 0.981 102 Q CA 1.463 57.053 55.803 -0.355 0.000 0.856 102 Q CB -0.360 28.022 28.738 -0.592 0.000 0.902 102 Q HN 0.244 nan 8.270 nan 0.000 0.425 103 K N 0.294 120.592 120.400 -0.169 0.000 2.057 103 K HA -0.074 4.246 4.320 0.001 0.000 0.207 103 K C 1.872 178.420 176.600 -0.087 0.000 1.049 103 K CA 1.504 57.726 56.287 -0.108 0.000 0.931 103 K CB -0.126 32.327 32.500 -0.079 0.000 0.714 103 K HN 0.100 nan 8.250 nan 0.000 0.440 104 A N -0.150 122.619 122.820 -0.084 0.000 1.984 104 A HA 0.260 4.580 4.320 0.001 0.000 0.214 104 A C 1.761 179.304 177.584 -0.070 0.000 1.173 104 A CA 0.905 52.901 52.037 -0.068 0.000 0.673 104 A CB -0.402 18.561 19.000 -0.062 0.000 0.830 104 A HN 0.665 nan 8.150 nan 0.000 0.453 105 G N -0.715 108.034 108.800 -0.085 0.000 2.157 105 G HA2 -0.221 3.740 3.960 0.001 0.000 0.239 105 G HA3 -0.221 3.740 3.960 0.001 0.000 0.239 105 G C 0.045 174.909 174.900 -0.061 0.000 0.982 105 G CA 0.600 45.654 45.100 -0.077 0.000 0.650 105 G HN 1.182 nan 8.290 nan 0.000 0.527 106 K N -1.039 119.326 120.400 -0.058 0.000 2.527 106 K HA 0.710 5.031 4.320 0.001 0.000 0.260 106 K C -0.064 176.516 176.600 -0.033 0.000 0.937 106 K CA -1.394 54.867 56.287 -0.042 0.000 0.826 106 K CB 1.305 33.779 32.500 -0.043 0.000 1.359 106 K HN 0.086 nan 8.250 nan 0.000 0.434 107 M N 3.306 122.897 119.600 -0.015 0.000 2.327 107 M HA 0.017 4.498 4.480 0.001 0.000 0.353 107 M C 0.068 176.344 176.300 -0.040 0.000 1.539 107 M CA 0.475 55.777 55.300 0.004 0.000 1.039 107 M CB 0.183 32.795 32.600 0.021 0.000 1.967 107 M HN 0.717 nan 8.290 nan 0.000 0.459 108 I N 3.577 124.108 120.570 -0.064 0.000 3.194 108 I HA 0.042 4.213 4.170 0.001 0.000 0.271 108 I C -0.310 175.616 176.117 -0.319 0.000 1.150 108 I CA -0.051 61.095 61.300 -0.255 0.000 1.440 108 I CB 0.230 37.965 38.000 -0.442 0.000 1.276 108 I HN 0.496 nan 8.210 nan 0.000 0.457 109 Y N 1.579 121.894 120.300 0.025 0.000 2.310 109 Y HA 0.405 4.956 4.550 0.001 0.000 0.326 109 Y C 0.331 176.270 175.900 0.065 0.000 1.151 109 Y CA -0.728 57.399 58.100 0.045 0.000 1.195 109 Y CB 0.495 38.980 38.460 0.041 0.000 1.210 109 Y HN -0.123 nan 8.280 nan 0.000 0.483 110 R N 1.507 122.147 120.500 0.234 0.000 2.347 110 R HA 0.302 4.643 4.340 0.001 0.000 0.304 110 R C 0.415 176.846 176.300 0.219 0.000 1.072 110 R CA -0.266 55.955 56.100 0.202 0.000 0.980 110 R CB 0.381 30.805 30.300 0.207 0.000 0.986 110 R HN 0.901 nan 8.270 nan 0.000 0.448 111 G N 1.016 109.930 108.800 0.190 0.000 2.476 111 G HA2 0.167 4.128 3.960 0.001 0.000 0.269 111 G HA3 0.167 4.128 3.960 0.001 0.000 0.269 111 G C 1.123 176.098 174.900 0.126 0.000 1.195 111 G CA -0.781 44.431 45.100 0.188 0.000 0.843 111 G HN 0.429 nan 8.290 nan 0.000 0.545 112 V N 1.095 121.045 119.914 0.060 0.000 2.439 112 V HA -0.184 3.936 4.120 0.001 0.000 0.253 112 V C 1.505 177.315 176.094 -0.472 0.000 1.074 112 V CA 1.563 63.703 62.300 -0.267 0.000 1.076 112 V CB -0.630 30.957 31.823 -0.392 0.000 0.664 112 V HN 0.602 nan 8.190 nan 0.000 0.461 113 F N -0.121 119.875 119.950 0.078 0.000 2.750 113 F HA 0.564 5.092 4.527 0.001 0.000 0.297 113 F C 1.528 177.362 175.800 0.057 0.000 1.138 113 F CA 0.483 58.491 58.000 0.013 0.000 1.346 113 F CB 0.331 39.287 39.000 -0.073 0.000 0.965 113 F HN 0.170 nan 8.300 nan 0.000 0.514 114 G N -0.503 108.396 108.800 0.165 0.000 2.194 114 G HA2 -0.271 3.690 3.960 0.001 0.000 0.236 114 G HA3 -0.271 3.690 3.960 0.001 0.000 0.236 114 G C 0.364 175.359 174.900 0.159 0.000 0.987 114 G CA -0.016 45.175 45.100 0.152 0.000 0.635 114 G HN 0.226 nan 8.290 nan 0.000 0.520 115 S N 1.482 117.291 115.700 0.182 0.000 2.525 115 S HA 0.477 4.948 4.470 0.001 0.000 0.285 115 S C 0.320 175.002 174.600 0.136 0.000 1.283 115 S CA 0.814 59.108 58.200 0.157 0.000 1.072 115 S CB 0.948 64.249 63.200 0.168 0.000 0.867 115 S HN 0.920 nan 8.310 nan 0.000 0.492 116 Q N 2.326 122.191 119.800 0.108 0.000 2.416 116 Q HA 0.598 4.939 4.340 0.001 0.000 0.281 116 Q C -3.177 172.857 176.000 0.057 0.000 1.067 116 Q CA -2.507 53.349 55.803 0.087 0.000 0.809 116 Q CB 1.432 30.221 28.738 0.085 0.000 1.418 116 Q HN 0.240 nan 8.270 nan 0.000 0.411 117 P HA 0.029 nan 4.420 nan 0.000 0.271 117 P C -0.493 176.805 177.300 -0.003 0.000 1.233 117 P CA 0.031 63.132 63.100 0.002 0.000 0.789 117 P CB 0.293 31.973 31.700 -0.033 0.000 0.951 118 A N 0.513 123.324 122.820 -0.014 0.000 2.531 118 A HA 0.411 4.732 4.320 0.001 0.000 0.236 118 A C 1.332 178.894 177.584 -0.037 0.000 1.062 118 A CA 0.890 52.916 52.037 -0.019 0.000 0.760 118 A CB -1.325 17.660 19.000 -0.024 0.000 0.995 118 A HN 0.886 nan 8.150 nan 0.000 0.501 119 G N 0.415 109.192 108.800 -0.038 0.000 2.227 119 G HA2 0.387 4.348 3.960 0.001 0.000 0.168 119 G HA3 0.387 4.348 3.960 0.001 0.000 0.168 119 G C 1.516 176.362 174.900 -0.090 0.000 1.006 119 G CA 0.560 45.617 45.100 -0.070 0.000 0.684 119 G HN 2.955 nan 8.290 nan 0.000 0.489 120 G N 0.055 108.833 108.800 -0.037 0.000 2.692 120 G HA2 -0.115 3.846 3.960 0.001 0.000 0.248 120 G HA3 -0.115 3.846 3.960 0.001 0.000 0.248 120 G C 1.171 176.052 174.900 -0.032 0.000 1.340 120 G CA 0.837 45.941 45.100 0.006 0.000 0.896 120 G HN 1.688 nan 8.290 nan 0.000 0.570 121 W N -0.550 120.730 121.300 -0.034 0.000 2.387 121 W HA 0.019 4.680 4.660 0.001 0.000 0.272 121 W C 1.878 178.345 176.519 -0.087 0.000 1.224 121 W CA 1.250 58.561 57.345 -0.056 0.000 1.210 121 W CB -0.995 28.437 29.460 -0.046 0.000 1.125 121 W HN 0.424 nan 8.180 nan 0.000 0.572 122 L N 1.106 121.766 121.223 -0.939 0.000 2.093 122 L HA -0.194 4.146 4.340 0.001 0.000 0.208 122 L C 2.798 179.435 176.870 -0.389 0.000 1.085 122 L CA 1.500 55.834 54.840 -0.844 0.000 0.755 122 L CB -0.594 40.984 42.059 -0.803 0.000 0.904 122 L HN -0.155 nan 8.230 nan 0.000 0.435 123 K N -0.566 119.675 120.400 -0.265 0.000 2.062 123 K HA -0.119 4.201 4.320 0.001 0.000 0.205 123 K C 2.078 178.609 176.600 -0.115 0.000 1.051 123 K CA 1.912 58.104 56.287 -0.158 0.000 0.941 123 K CB -0.712 31.719 32.500 -0.115 0.000 0.719 123 K HN 0.356 nan 8.250 nan 0.000 0.440 124 T N -0.512 113.990 114.554 -0.087 0.000 3.054 124 T HA 0.070 4.421 4.350 0.001 0.000 0.259 124 T C 1.117 175.769 174.700 -0.079 0.000 1.092 124 T CA -0.260 61.812 62.100 -0.046 0.000 1.121 124 T CB -0.184 68.690 68.868 0.010 0.000 0.912 124 T HN 0.112 nan 8.240 nan 0.000 0.489 125 I N 2.298 122.796 120.570 -0.119 0.000 2.906 125 I HA -0.021 4.150 4.170 0.001 0.000 0.301 125 I C -0.143 175.798 176.117 -0.293 0.000 1.221 125 I CA 0.462 61.570 61.300 -0.321 0.000 1.435 125 I CB -0.265 37.468 38.000 -0.445 0.000 1.345 125 I HN 0.477 nan 8.210 nan 0.000 0.558 126 F N 3.283 123.122 119.950 -0.185 0.000 2.914 126 F HA -0.237 4.290 4.527 0.001 0.000 0.304 126 F C 0.583 176.288 175.800 -0.158 0.000 0.712 126 F CA 0.828 58.699 58.000 -0.215 0.000 1.211 126 F CB -2.546 36.347 39.000 -0.178 0.000 1.515 126 F HN 0.571 nan 8.300 nan 0.000 0.350 127 D N 1.676 122.076 120.400 0.000 0.000 2.393 127 D HA 0.386 5.026 4.640 0.001 0.000 0.232 127 D C 0.772 177.071 176.300 -0.001 0.000 1.192 127 D CA -0.034 53.971 54.000 0.007 0.000 0.882 127 D CB 0.232 41.031 40.800 -0.002 0.000 1.038 127 D HN 0.348 nan 8.370 nan 0.000 0.499 128 L N 2.960 124.209 121.223 0.044 0.000 2.628 128 L HA 0.249 4.590 4.340 0.001 0.000 0.229 128 L C 1.008 178.001 176.870 0.205 0.000 1.137 128 L CA -0.263 54.643 54.840 0.110 0.000 0.909 128 L CB -0.079 42.032 42.059 0.087 0.000 1.137 128 L HN 0.082 nan 8.230 nan 0.000 0.470 129 R N 1.541 122.164 120.500 0.207 0.000 2.489 129 R HA 0.370 4.711 4.340 0.001 0.000 0.287 129 R C -0.712 175.769 176.300 0.301 0.000 1.053 129 R CA -0.041 56.219 56.100 0.266 0.000 1.036 129 R CB 0.414 30.938 30.300 0.373 0.000 0.966 129 R HN 0.094 nan 8.270 nan 0.000 0.432 130 L N 1.769 123.125 121.223 0.221 0.000 2.331 130 L HA 0.478 4.819 4.340 0.001 0.000 0.275 130 L C 0.063 176.899 176.870 -0.056 0.000 1.022 130 L CA -0.850 54.097 54.840 0.179 0.000 0.812 130 L CB 1.148 43.372 42.059 0.276 0.000 1.257 130 L HN 0.403 nan 8.230 nan 0.000 0.435 131 K N 2.123 122.404 120.400 -0.198 0.000 2.267 131 K HA 0.140 4.461 4.320 0.001 0.000 0.282 131 K C -0.220 176.046 176.600 -0.557 0.000 1.078 131 K CA -0.484 55.534 56.287 -0.448 0.000 0.903 131 K CB 0.451 32.702 32.500 -0.414 0.000 1.111 131 K HN 0.556 nan 8.250 nan 0.000 0.475 132 N N 5.479 123.905 118.700 -0.457 0.000 2.427 132 N HA -0.030 4.711 4.740 0.001 0.000 0.269 132 N C 0.640 175.782 175.510 -0.615 0.000 1.235 132 N CA 0.055 52.743 53.050 -0.603 0.000 0.934 132 N CB 0.337 38.872 38.487 0.080 0.000 1.121 132 N HN 0.681 nan 8.380 nan 0.000 0.480 133 I N 1.035 120.961 120.570 -1.074 0.000 3.968 133 I HA 0.306 4.476 4.170 0.001 0.000 0.328 133 I C 0.889 176.797 176.117 -0.348 0.000 1.290 133 I CA -0.272 60.667 61.300 -0.602 0.000 1.163 133 I CB -0.187 37.503 38.000 -0.517 0.000 1.024 133 I HN 0.401 nan 8.210 nan 0.000 0.413 134 A N 3.932 126.629 122.820 -0.204 0.000 2.745 134 A HA -0.261 4.059 4.320 0.001 0.000 0.296 134 A C 0.904 178.529 177.584 0.068 0.000 1.500 134 A CA 1.433 53.510 52.037 0.067 0.000 0.766 134 A CB -2.696 16.255 19.000 -0.082 0.000 1.030 134 A HN 0.909 nan 8.150 nan 0.000 0.489 135 N N -2.102 116.677 118.700 0.133 0.000 2.184 135 N HA 0.087 4.828 4.740 0.001 0.000 0.206 135 N C 0.807 176.439 175.510 0.203 0.000 1.151 135 N CA 1.056 54.185 53.050 0.132 0.000 0.878 135 N CB -0.337 38.219 38.487 0.116 0.000 1.014 135 N HN 0.316 nan 8.380 nan 0.000 0.512 136 T N -0.659 114.055 114.554 0.267 0.000 3.021 136 T HA 0.144 4.494 4.350 0.001 0.000 0.245 136 T C 0.311 175.159 174.700 0.245 0.000 1.028 136 T CA 0.464 62.730 62.100 0.276 0.000 1.139 136 T CB 0.036 69.089 68.868 0.308 0.000 0.884 136 T HN 0.251 nan 8.240 nan 0.000 0.457 137 N N -0.385 118.416 118.700 0.169 0.000 2.972 137 N HA 0.593 5.334 4.740 0.001 0.000 0.262 137 N C -2.074 173.506 175.510 0.117 0.000 1.478 137 N CA -0.838 52.295 53.050 0.137 0.000 0.841 137 N CB 2.081 40.569 38.487 0.001 0.000 1.512 137 N HN 0.198 nan 8.380 nan 0.000 0.548 138 I N 0.615 121.257 120.570 0.121 0.000 2.667 138 I HA 0.397 4.568 4.170 0.001 0.000 0.288 138 I C -1.379 174.798 176.117 0.099 0.000 1.267 138 I CA -0.162 61.190 61.300 0.087 0.000 1.055 138 I CB 1.470 39.514 38.000 0.073 0.000 1.294 138 I HN 0.634 nan 8.210 nan 0.000 0.429 139 T N 3.012 117.620 114.554 0.091 0.000 2.893 139 T HA 0.495 4.846 4.350 0.001 0.000 0.291 139 T C -1.323 173.455 174.700 0.130 0.000 1.028 139 T CA -0.597 61.605 62.100 0.170 0.000 0.995 139 T CB 1.687 70.739 68.868 0.307 0.000 1.051 139 T HN 0.462 nan 8.240 nan 0.000 0.470 140 Y N 2.902 123.224 120.300 0.037 0.000 2.356 140 Y HA 0.606 5.158 4.550 0.002 0.000 0.334 140 Y C -1.279 174.746 175.900 0.208 0.000 0.958 140 Y CA -1.631 56.472 58.100 0.005 0.000 1.196 140 Y CB 0.895 39.313 38.460 -0.071 0.000 1.137 140 Y HN 0.829 nan 8.280 nan 0.000 0.485 141 W N 6.462 127.435 121.300 -0.545 0.000 3.274 141 W HA 0.444 5.104 4.660 0.001 0.000 0.327 141 W C 0.184 176.379 176.519 -0.540 0.000 1.172 141 W CA -0.577 56.480 57.345 -0.479 0.000 1.217 141 W CB 2.072 31.291 29.460 -0.402 0.000 1.376 141 W HN 0.879 nan 8.180 nan 0.000 0.507 142 G N 4.750 112.955 108.800 -0.992 0.000 2.356 142 G HA2 -0.370 3.590 3.960 0.001 0.000 0.296 142 G HA3 -0.370 3.590 3.960 0.001 0.000 0.296 142 G C 0.316 174.943 174.900 -0.454 0.000 1.022 142 G CA 1.222 45.925 45.100 -0.661 0.000 0.961 142 G HN 0.930 nan 8.290 nan 0.000 0.510 143 D N -2.158 117.870 120.400 -0.620 0.000 2.945 143 D HA -0.183 4.458 4.640 0.001 0.000 0.225 143 D C 0.634 176.835 176.300 -0.165 0.000 1.158 143 D CA 1.723 55.528 54.000 -0.325 0.000 0.805 143 D CB -0.642 40.090 40.800 -0.114 0.000 1.098 143 D HN 0.869 nan 8.370 nan 0.000 0.426 144 R N 0.170 120.488 120.500 -0.304 0.000 2.337 144 R HA 0.461 4.802 4.340 0.001 0.000 0.319 144 R C -0.673 175.626 176.300 -0.001 0.000 0.954 144 R CA -1.028 55.011 56.100 -0.101 0.000 0.840 144 R CB 1.265 31.494 30.300 -0.117 0.000 1.164 144 R HN 0.065 nan 8.270 nan 0.000 0.472 145 L N 5.529 126.834 121.223 0.136 0.000 2.257 145 L HA 0.409 4.750 4.340 0.001 0.000 0.290 145 L C -1.258 175.611 176.870 -0.001 0.000 1.044 145 L CA -0.011 54.880 54.840 0.086 0.000 0.810 145 L CB 0.715 42.759 42.059 -0.025 0.000 1.193 145 L HN 0.505 nan 8.230 nan 0.000 0.425 146 L N 5.578 126.796 121.223 -0.007 0.000 2.356 146 L HA 0.722 5.063 4.340 0.001 0.000 0.277 146 L C 0.003 176.896 176.870 0.038 0.000 0.996 146 L CA -0.822 54.032 54.840 0.023 0.000 0.822 146 L CB 1.771 43.847 42.059 0.029 0.000 1.256 146 L HN 0.724 nan 8.230 nan 0.000 0.413 147 A N 5.191 128.053 122.820 0.069 0.000 2.301 147 A HA 0.756 5.076 4.320 0.001 0.000 0.298 147 A C -0.562 177.108 177.584 0.144 0.000 1.185 147 A CA -0.325 51.765 52.037 0.089 0.000 0.830 147 A CB 0.415 19.456 19.000 0.068 0.000 1.112 147 A HN 0.672 nan 8.150 nan 0.000 0.508 148 L N 1.640 122.950 121.223 0.145 0.000 2.329 148 L HA 0.653 4.994 4.340 0.001 0.000 0.279 148 L C -0.835 176.196 176.870 0.269 0.000 1.014 148 L CA -0.423 54.513 54.840 0.161 0.000 0.814 148 L CB 1.865 43.968 42.059 0.074 0.000 1.257 148 L HN 0.885 nan 8.230 nan 0.000 0.424 149 W N 3.180 124.519 121.300 0.063 0.000 3.326 149 W HA 0.270 4.930 4.660 0.001 0.000 0.333 149 W C 0.739 177.300 176.519 0.070 0.000 1.108 149 W CA -0.630 56.767 57.345 0.088 0.000 1.245 149 W CB 1.307 30.834 29.460 0.111 0.000 1.331 149 W HN 0.701 nan 8.180 nan 0.000 0.464 150 E N 2.209 122.127 120.200 -0.470 0.000 2.418 150 E HA -0.006 4.345 4.350 0.001 0.000 0.197 150 E C 1.430 177.687 176.600 -0.571 0.000 1.026 150 E CA 1.135 57.282 56.400 -0.421 0.000 0.862 150 E CB 0.053 29.594 29.700 -0.264 0.000 0.799 150 E HN 0.658 nan 8.360 nan 0.000 0.518 151 G N 0.784 108.851 108.800 -1.222 0.000 2.920 151 G HA2 0.272 4.233 3.960 0.001 0.000 0.208 151 G HA3 0.272 4.233 3.960 0.001 0.000 0.208 151 G C 0.440 175.118 174.900 -0.369 0.000 1.159 151 G CA 0.298 44.817 45.100 -0.968 0.000 0.784 151 G HN 0.459 nan 8.290 nan 0.000 0.535 152 G N -1.383 107.341 108.800 -0.127 0.000 2.619 152 G HA2 0.470 4.430 3.960 0.001 0.000 0.305 152 G HA3 0.470 4.430 3.960 0.001 0.000 0.305 152 G C -0.959 174.014 174.900 0.121 0.000 1.330 152 G CA -0.834 44.364 45.100 0.164 0.000 0.789 152 G HN 0.187 nan 8.290 nan 0.000 0.487 153 Q N 0.831 120.688 119.800 0.095 0.000 2.454 153 Q HA 0.263 4.604 4.340 0.001 0.000 0.247 153 Q C -2.005 174.025 176.000 0.050 0.000 1.028 153 Q CA -1.078 54.739 55.803 0.023 0.000 0.910 153 Q CB 0.980 29.692 28.738 -0.043 0.000 1.276 153 Q HN 0.313 nan 8.270 nan 0.000 0.489 154 P HA 0.049 nan 4.420 nan 0.000 0.274 154 P C -1.242 176.045 177.300 -0.021 0.000 1.237 154 P CA -0.066 63.075 63.100 0.069 0.000 0.793 154 P CB 0.648 32.375 31.700 0.045 0.000 0.977 155 H N 0.150 119.249 119.070 0.049 0.000 2.517 155 H HA 0.347 4.904 4.556 0.001 0.000 0.317 155 H C 0.681 176.016 175.328 0.012 0.000 1.080 155 H CA -0.276 55.788 56.048 0.027 0.000 1.301 155 H CB 0.706 30.481 29.762 0.022 0.000 1.425 155 H HN 0.254 nan 8.280 nan 0.000 0.471 156 R N 3.831 124.382 120.500 0.087 0.000 2.340 156 R HA 0.317 4.658 4.340 0.001 0.000 0.300 156 R C -0.953 175.380 176.300 0.055 0.000 1.069 156 R CA -0.365 55.764 56.100 0.049 0.000 0.984 156 R CB 0.349 30.660 30.300 0.018 0.000 1.003 156 R HN 0.573 nan 8.270 nan 0.000 0.459 157 L N 2.060 123.300 121.223 0.028 0.000 2.313 157 L HA 0.396 4.737 4.340 0.001 0.000 0.268 157 L C -0.252 176.620 176.870 0.005 0.000 1.010 157 L CA -1.086 53.760 54.840 0.010 0.000 0.814 157 L CB 1.585 43.633 42.059 -0.017 0.000 1.304 157 L HN 0.540 nan 8.230 nan 0.000 0.441 158 E N 2.935 123.134 120.200 -0.002 0.000 2.105 158 E HA 0.182 4.533 4.350 0.001 0.000 0.285 158 E C -1.928 174.660 176.600 -0.020 0.000 1.055 158 E CA -2.308 54.089 56.400 -0.005 0.000 0.843 158 E CB 1.019 30.714 29.700 -0.007 0.000 1.067 158 E HN 0.159 nan 8.360 nan 0.000 0.398 159 P HA -0.198 nan 4.420 nan 0.000 0.219 159 P C 0.981 178.255 177.300 -0.044 0.000 1.146 159 P CA 1.222 64.296 63.100 -0.044 0.000 0.808 159 P CB 0.137 31.753 31.700 -0.140 0.000 0.779 160 S N 0.221 115.888 115.700 -0.056 0.000 2.447 160 S HA -0.104 4.367 4.470 0.001 0.000 0.233 160 S C 1.418 175.965 174.600 -0.088 0.000 1.006 160 S CA 1.270 59.424 58.200 -0.077 0.000 0.957 160 S CB -0.965 62.198 63.200 -0.062 0.000 0.773 160 S HN 0.259 nan 8.310 nan 0.000 0.507 161 N N 0.106 118.766 118.700 -0.066 0.000 1.986 161 N HA 0.164 4.905 4.740 0.001 0.000 0.227 161 N C 0.518 175.989 175.510 -0.065 0.000 1.387 161 N CA 0.395 53.403 53.050 -0.071 0.000 0.810 161 N CB -0.522 37.934 38.487 -0.052 0.000 1.140 161 N HN 0.384 nan 8.380 nan 0.000 0.504 162 L N -1.369 119.824 121.223 -0.049 0.000 4.937 162 L HA -0.224 4.117 4.340 0.001 0.000 0.422 162 L C 0.532 177.379 176.870 -0.037 0.000 1.059 162 L CA 0.499 55.312 54.840 -0.045 0.000 1.111 162 L CB -2.261 39.754 42.059 -0.074 0.000 2.033 162 L HN 0.371 nan 8.230 nan 0.000 0.708 163 A N 0.092 122.896 122.820 -0.026 0.000 2.507 163 A HA 0.419 4.740 4.320 0.001 0.000 0.235 163 A C 0.822 178.407 177.584 0.003 0.000 1.070 163 A CA 1.068 53.100 52.037 -0.009 0.000 0.768 163 A CB 0.071 19.069 19.000 -0.004 0.000 1.011 163 A HN 0.198 nan 8.150 nan 0.000 0.502 164 T N 2.966 117.531 114.554 0.017 0.000 2.771 164 T HA 0.340 4.691 4.350 0.001 0.000 0.291 164 T C 1.354 176.084 174.700 0.049 0.000 0.954 164 T CA -0.463 61.660 62.100 0.038 0.000 1.045 164 T CB 0.464 69.360 68.868 0.046 0.000 0.917 164 T HN 0.409 nan 8.240 nan 0.000 0.484 165 I N 1.617 122.218 120.570 0.052 0.000 2.339 165 I HA 0.260 4.431 4.170 0.001 0.000 0.245 165 I C 1.555 177.707 176.117 0.058 0.000 1.096 165 I CA 0.962 62.288 61.300 0.043 0.000 1.408 165 I CB -1.525 36.492 38.000 0.028 0.000 1.092 165 I HN 0.858 nan 8.210 nan 0.000 0.423 166 G N 0.221 109.074 108.800 0.087 0.000 2.362 166 G HA2 0.099 4.060 3.960 0.001 0.000 0.288 166 G HA3 0.099 4.060 3.960 0.001 0.000 0.288 166 G C -1.129 173.757 174.900 -0.022 0.000 1.305 166 G CA -0.969 44.186 45.100 0.092 0.000 0.910 166 G HN 0.043 nan 8.290 nan 0.000 0.518 167 L N 1.064 122.188 121.223 -0.164 0.000 2.584 167 L HA 0.280 4.621 4.340 0.001 0.000 0.272 167 L C 0.324 177.100 176.870 -0.157 0.000 1.195 167 L CA 0.284 54.923 54.840 -0.336 0.000 0.920 167 L CB 0.430 42.340 42.059 -0.248 0.000 1.173 167 L HN 0.651 nan 8.230 nan 0.000 0.489 168 D N 1.442 121.757 120.400 -0.141 0.000 2.185 168 D HA 0.181 4.822 4.640 0.001 0.000 0.247 168 D C -0.089 176.175 176.300 -0.061 0.000 1.027 168 D CA -0.552 53.406 54.000 -0.071 0.000 0.861 168 D CB 1.253 42.026 40.800 -0.045 0.000 1.202 168 D HN 0.534 nan 8.370 nan 0.000 0.453 169 D N 3.780 124.154 120.400 -0.043 0.000 2.462 169 D HA 0.072 4.712 4.640 0.001 0.000 0.221 169 D C 0.765 177.048 176.300 -0.029 0.000 1.173 169 D CA -0.263 53.716 54.000 -0.034 0.000 0.831 169 D CB -0.422 40.361 40.800 -0.028 0.000 1.001 169 D HN 0.552 nan 8.370 nan 0.000 0.499 170 L N -0.017 121.185 121.223 -0.035 0.000 4.040 170 L HA -0.199 4.142 4.340 0.001 0.000 0.410 170 L C 0.864 177.716 176.870 -0.030 0.000 1.187 170 L CA 0.259 55.076 54.840 -0.037 0.000 0.956 170 L CB -1.919 40.121 42.059 -0.033 0.000 2.022 170 L HN 0.478 nan 8.230 nan 0.000 0.897 171 G N -0.688 108.095 108.800 -0.028 0.000 2.374 171 G HA2 0.130 4.091 3.960 0.001 0.000 0.289 171 G HA3 0.130 4.091 3.960 0.001 0.000 0.289 171 G C 1.136 176.026 174.900 -0.017 0.000 1.004 171 G CA 0.763 45.849 45.100 -0.023 0.000 1.292 171 G HN 1.741 nan 8.290 nan 0.000 0.502 172 G N -0.880 107.910 108.800 -0.016 0.000 2.234 172 G HA2 -0.262 3.699 3.960 0.001 0.000 0.235 172 G HA3 -0.262 3.699 3.960 0.001 0.000 0.235 172 G C 1.301 176.195 174.900 -0.010 0.000 0.997 172 G CA 0.512 45.605 45.100 -0.011 0.000 0.623 172 G HN 1.012 nan 8.290 nan 0.000 0.514 173 I N 1.253 121.817 120.570 -0.010 0.000 2.110 173 I HA 0.130 4.301 4.170 0.001 0.000 0.236 173 I C 1.936 178.048 176.117 -0.009 0.000 1.068 173 I CA 1.035 62.331 61.300 -0.006 0.000 1.333 173 I CB -1.486 36.513 38.000 -0.003 0.000 1.054 173 I HN 0.205 nan 8.210 nan 0.000 0.402 174 L N 0.965 122.180 121.223 -0.013 0.000 2.417 174 L HA 0.333 4.674 4.340 0.001 0.000 0.268 174 L C 0.609 177.470 176.870 -0.014 0.000 1.158 174 L CA -0.460 54.371 54.840 -0.015 0.000 0.819 174 L CB 0.399 42.445 42.059 -0.021 0.000 1.112 174 L HN 0.149 nan 8.230 nan 0.000 0.458 175 A N 2.298 125.111 122.820 -0.012 0.000 2.313 175 A HA 0.149 4.470 4.320 0.001 0.000 0.261 175 A C 0.220 177.799 177.584 -0.009 0.000 1.090 175 A CA -0.426 51.606 52.037 -0.009 0.000 0.807 175 A CB 0.342 19.339 19.000 -0.006 0.000 1.055 175 A HN 0.738 nan 8.150 nan 0.000 0.492 176 E N 0.079 120.276 120.200 -0.005 0.000 2.480 176 E HA 0.229 4.580 4.350 0.001 0.000 0.258 176 E C 1.258 177.861 176.600 0.005 0.000 0.984 176 E CA 1.438 57.836 56.400 -0.003 0.000 0.930 176 E CB 0.159 29.859 29.700 0.000 0.000 0.936 176 E HN 1.430 nan 8.360 nan 0.000 0.466 177 G N 3.998 112.803 108.800 0.008 0.000 2.212 177 G HA2 -0.359 3.602 3.960 0.001 0.000 0.266 177 G HA3 -0.359 3.602 3.960 0.001 0.000 0.266 177 G C 0.405 175.317 174.900 0.020 0.000 0.978 177 G CA 0.671 45.786 45.100 0.026 0.000 0.632 177 G HN 0.602 nan 8.290 nan 0.000 0.537 178 Q N 1.443 121.244 119.800 0.002 0.000 2.297 178 Q HA 0.418 4.759 4.340 0.001 0.000 0.267 178 Q C -2.180 173.806 176.000 -0.024 0.000 1.006 178 Q CA -1.509 54.287 55.803 -0.012 0.000 0.896 178 Q CB 0.845 29.573 28.738 -0.017 0.000 1.186 178 Q HN 0.273 nan 8.270 nan 0.000 0.392 179 P HA 0.078 nan 4.420 nan 0.000 0.272 179 P C -1.357 175.878 177.300 -0.108 0.000 1.223 179 P CA -0.316 62.735 63.100 -0.081 0.000 0.784 179 P CB 0.585 32.210 31.700 -0.126 0.000 0.923 180 L N 1.469 122.616 121.223 -0.126 0.000 2.385 180 L HA 0.482 4.823 4.340 0.001 0.000 0.273 180 L C 0.069 176.779 176.870 -0.266 0.000 0.990 180 L CA -0.552 54.187 54.840 -0.168 0.000 0.821 180 L CB 1.789 43.800 42.059 -0.081 0.000 1.279 180 L HN 0.284 nan 8.230 nan 0.000 0.412 181 S N 3.098 118.505 115.700 -0.488 0.000 2.559 181 S HA 0.308 4.779 4.470 0.001 0.000 0.282 181 S C 1.145 175.541 174.600 -0.341 0.000 1.336 181 S CA 0.374 58.184 58.200 -0.649 0.000 1.037 181 S CB 0.813 63.170 63.200 -1.406 0.000 0.853 181 S HN 0.917 nan 8.310 nan 0.000 0.523 182 A N 3.647 126.291 122.820 -0.293 0.000 2.307 182 A HA 0.225 4.545 4.320 0.001 0.000 0.218 182 A C 0.570 177.890 177.584 -0.440 0.000 1.228 182 A CA 0.033 51.914 52.037 -0.259 0.000 0.857 182 A CB -0.138 18.755 19.000 -0.178 0.000 0.897 182 A HN 0.866 nan 8.150 nan 0.000 0.495 183 H N 0.568 119.535 119.070 -0.171 0.000 2.471 183 H HA 0.228 4.785 4.556 0.001 0.000 0.234 183 H C -2.805 172.592 175.328 0.116 0.000 1.388 183 H CA -1.774 54.242 56.048 -0.054 0.000 1.198 183 H CB 0.388 30.133 29.762 -0.028 0.000 1.714 183 H HN 0.365 nan 8.280 nan 0.000 0.536 184 P HA 0.088 nan 4.420 nan 0.000 0.272 184 P C 0.157 177.442 177.300 -0.025 0.000 1.240 184 P CA -0.319 62.748 63.100 -0.055 0.000 0.791 184 P CB 1.502 32.836 31.700 -0.610 0.000 0.978 185 R N 1.269 121.711 120.500 -0.097 0.000 2.621 185 R HA 0.509 4.850 4.340 0.001 0.000 0.292 185 R C -0.328 175.785 176.300 -0.311 0.000 0.969 185 R CA -0.954 55.017 56.100 -0.214 0.000 0.887 185 R CB 1.542 31.629 30.300 -0.356 0.000 1.180 185 R HN 0.460 nan 8.270 nan 0.000 0.450 186 I N 2.369 122.790 120.570 -0.248 0.000 2.287 186 I HA 0.082 4.253 4.170 0.001 0.000 0.290 186 I C 0.389 176.446 176.117 -0.100 0.000 1.069 186 I CA -0.659 60.500 61.300 -0.234 0.000 1.237 186 I CB 0.684 38.617 38.000 -0.111 0.000 1.418 186 I HN 0.334 nan 8.210 nan 0.000 0.481 187 D N 10.387 130.736 120.400 -0.085 0.000 2.389 187 D HA 0.061 4.702 4.640 0.001 0.000 0.263 187 D C -1.245 175.087 176.300 0.053 0.000 1.255 187 D CA -1.681 52.310 54.000 -0.015 0.000 0.914 187 D CB 1.407 42.212 40.800 0.009 0.000 1.116 187 D HN 0.297 nan 8.370 nan 0.000 0.502 188 P HA -0.038 nan 4.420 nan 0.000 0.220 188 P C -0.275 177.089 177.300 0.105 0.000 1.148 188 P CA 0.603 63.772 63.100 0.114 0.000 0.803 188 P CB 0.427 32.190 31.700 0.105 0.000 0.782 189 A N -0.429 122.429 122.820 0.063 0.000 2.768 189 A HA 0.393 4.713 4.320 0.001 0.000 0.298 189 A C -0.116 177.473 177.584 0.007 0.000 1.159 189 A CA -0.373 51.691 52.037 0.044 0.000 0.783 189 A CB 0.276 19.291 19.000 0.025 0.000 1.333 189 A HN 0.009 nan 8.150 nan 0.000 0.412 190 S N 1.446 117.168 115.700 0.037 0.000 2.510 190 S HA 0.185 4.655 4.470 0.001 0.000 0.279 190 S C 1.377 175.926 174.600 -0.086 0.000 1.284 190 S CA 0.867 59.077 58.200 0.016 0.000 1.059 190 S CB 0.750 64.036 63.200 0.143 0.000 0.901 190 S HN 0.841 nan 8.310 nan 0.000 0.491 191 T N 4.371 118.740 114.554 -0.309 0.000 2.946 191 T HA -0.052 4.299 4.350 0.001 0.000 0.271 191 T C 0.800 175.235 174.700 -0.441 0.000 1.104 191 T CA 1.455 63.279 62.100 -0.460 0.000 1.114 191 T CB -0.538 67.890 68.868 -0.734 0.000 0.867 191 T HN 0.703 nan 8.240 nan 0.000 0.513 192 F N 0.902 120.824 119.950 -0.047 0.000 2.754 192 F HA 0.292 4.819 4.527 0.001 0.000 0.297 192 F C 0.939 176.740 175.800 0.001 0.000 1.122 192 F CA -0.118 57.868 58.000 -0.023 0.000 1.400 192 F CB 0.367 39.354 39.000 -0.023 0.000 1.117 192 F HN 0.119 nan 8.300 nan 0.000 0.587 193 D N -0.157 120.331 120.400 0.147 0.000 2.963 193 D HA 0.198 4.839 4.640 0.001 0.000 0.361 193 D C 1.220 177.560 176.300 0.067 0.000 1.317 193 D CA 0.104 54.173 54.000 0.115 0.000 0.832 193 D CB 0.361 41.242 40.800 0.136 0.000 1.135 193 D HN 0.207 nan 8.370 nan 0.000 0.476 194 G N 1.028 109.852 108.800 0.040 0.000 2.416 194 G HA2 -0.200 3.761 3.960 0.001 0.000 0.301 194 G HA3 -0.200 3.761 3.960 0.001 0.000 0.301 194 G C 1.202 176.113 174.900 0.018 0.000 0.985 194 G CA 0.821 45.933 45.100 0.021 0.000 0.934 194 G HN 0.949 nan 8.290 nan 0.000 0.513 195 G N -2.004 106.803 108.800 0.011 0.000 2.143 195 G HA2 -0.196 3.765 3.960 0.001 0.000 0.249 195 G HA3 -0.196 3.765 3.960 0.001 0.000 0.249 195 G C 0.279 175.208 174.900 0.049 0.000 0.981 195 G CA 1.075 46.184 45.100 0.015 0.000 0.665 195 G HN 1.358 nan 8.290 nan 0.000 0.528 196 Q N 1.358 121.199 119.800 0.069 0.000 2.314 196 Q HA 0.495 4.836 4.340 0.001 0.000 0.258 196 Q C -1.677 174.410 176.000 0.146 0.000 0.954 196 Q CA -1.551 54.312 55.803 0.100 0.000 0.890 196 Q CB 1.073 29.872 28.738 0.101 0.000 1.210 196 Q HN 0.308 nan 8.270 nan 0.000 0.410 197 P HA 0.030 nan 4.420 nan 0.000 0.270 197 P C -0.810 176.722 177.300 0.387 0.000 1.223 197 P CA -0.253 63.015 63.100 0.280 0.000 0.785 197 P CB 0.515 32.438 31.700 0.373 0.000 0.923 198 C N 0.807 120.281 119.300 0.290 0.000 3.285 198 C HA 0.549 5.010 4.460 0.001 0.000 0.325 198 C C -1.399 173.471 174.990 -0.200 0.000 1.304 198 C CA -1.024 58.127 59.018 0.222 0.000 1.319 198 C CB 0.602 28.463 27.740 0.203 0.000 1.640 198 C HN 0.592 nan 8.230 nan 0.000 0.477 199 Y N 2.197 122.162 120.300 -0.559 0.000 2.434 199 Y HA 0.638 5.189 4.550 0.001 0.000 0.341 199 Y C -0.308 175.421 175.900 -0.285 0.000 0.965 199 Y CA -0.371 57.249 58.100 -0.800 0.000 1.205 199 Y CB 1.000 38.617 38.460 -1.405 0.000 1.121 199 Y HN 0.743 nan 8.280 nan 0.000 0.507 200 V N 6.271 126.031 119.914 -0.257 0.000 2.370 200 V HA 0.532 4.653 4.120 0.001 0.000 0.279 200 V C 0.081 176.222 176.094 0.077 0.000 1.029 200 V CA -0.298 62.015 62.300 0.022 0.000 0.870 200 V CB 1.197 33.103 31.823 0.139 0.000 0.984 200 V HN 0.859 nan 8.190 nan 0.000 0.451 201 T N 4.317 118.927 114.554 0.092 0.000 2.754 201 T HA 0.854 5.205 4.350 0.001 0.000 0.296 201 T C -1.488 173.220 174.700 0.014 0.000 1.205 201 T CA -0.411 61.686 62.100 -0.004 0.000 1.009 201 T CB 1.655 70.516 68.868 -0.011 0.000 1.368 201 T HN 0.643 nan 8.240 nan 0.000 0.509 202 F N -0.661 119.127 119.950 -0.271 0.000 2.745 202 F HA 0.859 5.386 4.527 0.001 0.000 0.316 202 F C -0.881 174.822 175.800 -0.162 0.000 1.155 202 F CA -0.976 56.888 58.000 -0.226 0.000 0.937 202 F CB 1.553 40.374 39.000 -0.298 0.000 1.361 202 F HN 0.526 nan 8.300 nan 0.000 0.472 203 S N 1.685 117.376 115.700 -0.014 0.000 2.619 203 S HA 0.745 5.216 4.470 0.001 0.000 0.280 203 S C -1.758 172.844 174.600 0.004 0.000 1.150 203 S CA -0.488 57.651 58.200 -0.103 0.000 0.978 203 S CB 1.242 64.399 63.200 -0.072 0.000 1.041 203 S HN 0.925 nan 8.310 nan 0.000 0.485 204 I N 3.825 124.379 120.570 -0.028 0.000 2.533 204 I HA 0.600 4.771 4.170 0.001 0.000 0.290 204 I C -1.254 174.832 176.117 -0.051 0.000 1.056 204 I CA -0.504 60.794 61.300 -0.003 0.000 1.057 204 I CB 1.624 39.664 38.000 0.066 0.000 1.240 204 I HN 0.630 nan 8.210 nan 0.000 0.423 205 K N 4.417 124.778 120.400 -0.065 0.000 2.345 205 K HA 0.620 4.941 4.320 0.001 0.000 0.255 205 K C -1.319 175.214 176.600 -0.111 0.000 0.934 205 K CA -0.550 55.699 56.287 -0.063 0.000 0.801 205 K CB 2.064 34.537 32.500 -0.045 0.000 1.137 205 K HN 0.451 nan 8.250 nan 0.000 0.424 206 S N 1.182 116.844 115.700 -0.065 0.000 2.619 206 S HA 0.537 5.008 4.470 0.001 0.000 0.280 206 S C -1.014 173.703 174.600 0.195 0.000 1.150 206 S CA -0.332 57.821 58.200 -0.079 0.000 0.978 206 S CB 1.607 64.596 63.200 -0.352 0.000 1.041 206 S HN 0.606 nan 8.310 nan 0.000 0.485 207 S N 2.789 118.603 115.700 0.190 0.000 4.274 207 S HA 0.364 4.834 4.470 0.001 0.000 0.171 207 S C 0.649 175.351 174.600 0.170 0.000 1.154 207 S CA -0.160 58.172 58.200 0.219 0.000 1.145 207 S CB -0.820 62.445 63.200 0.108 0.000 1.986 207 S HN 0.483 nan 8.310 nan 0.000 0.795 208 L N 2.528 123.797 121.223 0.077 0.000 2.217 208 L HA 0.277 4.617 4.340 0.001 0.000 0.211 208 L C 0.871 177.754 176.870 0.022 0.000 1.107 208 L CA 1.028 55.898 54.840 0.051 0.000 0.783 208 L CB -0.249 41.829 42.059 0.031 0.000 0.919 208 L HN 0.497 nan 8.230 nan 0.000 0.442 209 S N -3.515 112.169 115.700 -0.027 0.000 2.651 209 S HA 0.713 5.184 4.470 0.001 0.000 0.279 209 S C -0.474 173.958 174.600 -0.280 0.000 1.148 209 S CA -0.835 57.283 58.200 -0.136 0.000 0.837 209 S CB 1.985 65.117 63.200 -0.114 0.000 1.138 209 S HN -0.116 nan 8.310 nan 0.000 0.478 210 S N 0.473 115.789 115.700 -0.640 0.000 2.503 210 S HA 0.829 5.300 4.470 0.001 0.000 0.301 210 S C -0.989 173.095 174.600 -0.859 0.000 1.087 210 S CA -0.567 57.042 58.200 -0.985 0.000 1.042 210 S CB 1.717 63.779 63.200 -1.897 0.000 1.043 210 S HN 0.785 nan 8.310 nan 0.000 0.489 211 T N 2.602 116.937 114.554 -0.365 0.000 2.921 211 T HA 0.536 4.887 4.350 0.001 0.000 0.297 211 T C -1.340 173.378 174.700 0.030 0.000 1.013 211 T CA -0.402 61.657 62.100 -0.069 0.000 0.990 211 T CB 1.054 69.889 68.868 -0.056 0.000 1.023 211 T HN 0.480 nan 8.240 nan 0.000 0.447 212 L N 3.076 124.357 121.223 0.097 0.000 2.376 212 L HA 0.617 4.957 4.340 0.001 0.000 0.275 212 L C -0.567 176.270 176.870 -0.054 0.000 0.987 212 L CA -0.291 54.533 54.840 -0.026 0.000 0.828 212 L CB 1.543 43.478 42.059 -0.207 0.000 1.249 212 L HN 0.590 nan 8.230 nan 0.000 0.409 213 T N 5.486 120.025 114.554 -0.024 0.000 2.767 213 T HA 0.448 4.798 4.350 0.001 0.000 0.284 213 T C -0.668 174.045 174.700 0.021 0.000 0.973 213 T CA -0.256 61.839 62.100 -0.009 0.000 0.996 213 T CB 1.309 70.175 68.868 -0.002 0.000 0.927 213 T HN 0.347 nan 8.240 nan 0.000 0.456 214 L N 6.125 127.363 121.223 0.024 0.000 2.296 214 L HA 0.790 5.130 4.340 0.001 0.000 0.286 214 L C -1.029 175.877 176.870 0.060 0.000 1.023 214 L CA -0.559 54.330 54.840 0.081 0.000 0.812 214 L CB 0.579 42.708 42.059 0.117 0.000 1.223 214 L HN 0.662 nan 8.230 nan 0.000 0.421 215 L N 1.704 122.972 121.223 0.075 0.000 2.393 215 L HA 0.821 5.161 4.340 0.001 0.000 0.260 215 L C -1.169 175.750 176.870 0.082 0.000 1.002 215 L CA -0.693 54.182 54.840 0.059 0.000 0.818 215 L CB 2.323 44.410 42.059 0.047 0.000 1.369 215 L HN 0.581 nan 8.230 nan 0.000 0.412 216 E N 2.727 122.967 120.200 0.067 0.000 2.275 216 E HA 0.639 4.990 4.350 0.001 0.000 0.270 216 E C -1.607 175.056 176.600 0.106 0.000 0.882 216 E CA -0.632 55.818 56.400 0.083 0.000 0.758 216 E CB 2.975 32.704 29.700 0.047 0.000 1.195 216 E HN 0.529 nan 8.360 nan 0.000 0.419 217 L N 2.676 123.994 121.223 0.158 0.000 2.346 217 L HA 0.363 4.704 4.340 0.001 0.000 0.276 217 L C 0.061 177.145 176.870 0.358 0.000 1.006 217 L CA -1.174 53.800 54.840 0.222 0.000 0.817 217 L CB 1.150 43.344 42.059 0.226 0.000 1.272 217 L HN 0.589 nan 8.230 nan 0.000 0.421 218 D N 2.671 123.242 120.400 0.285 0.000 2.384 218 D HA 0.120 4.761 4.640 0.001 0.000 0.244 218 D C -2.099 174.396 176.300 0.326 0.000 1.251 218 D CA -1.876 52.291 54.000 0.279 0.000 0.961 218 D CB 0.361 41.245 40.800 0.140 0.000 1.116 218 D HN 0.167 nan 8.370 nan 0.000 0.484 219 P HA -0.081 nan 4.420 nan 0.000 0.225 219 P C 0.715 177.736 177.300 -0.465 0.000 1.148 219 P CA 1.142 64.051 63.100 -0.318 0.000 0.779 219 P CB 0.134 31.690 31.700 -0.239 0.000 0.780 220 Q N -1.473 118.210 119.800 -0.196 0.000 2.403 220 Q HA 0.274 4.615 4.340 0.001 0.000 0.203 220 Q C 1.483 177.395 176.000 -0.147 0.000 0.932 220 Q CA 0.811 56.504 55.803 -0.184 0.000 0.945 220 Q CB -0.778 27.904 28.738 -0.094 0.000 1.045 220 Q HN 0.210 nan 8.270 nan 0.000 0.511 221 G N -0.228 108.531 108.800 -0.068 0.000 2.157 221 G HA2 -0.244 3.716 3.960 0.001 0.000 0.248 221 G HA3 -0.244 3.716 3.960 0.001 0.000 0.248 221 G C -0.089 174.843 174.900 0.054 0.000 0.979 221 G CA -0.058 45.067 45.100 0.041 0.000 0.650 221 G HN 0.125 nan 8.290 nan 0.000 0.529 222 K N -0.094 120.335 120.400 0.049 0.000 2.202 222 K HA 0.497 4.817 4.320 0.001 0.000 0.264 222 K C 0.239 176.878 176.600 0.066 0.000 1.010 222 K CA -0.889 55.422 56.287 0.041 0.000 0.940 222 K CB 1.607 34.123 32.500 0.027 0.000 0.983 222 K HN 0.283 nan 8.250 nan 0.000 0.475 223 L N 3.282 124.532 121.223 0.044 0.000 2.313 223 L HA 0.098 4.438 4.340 0.001 0.000 0.282 223 L C 0.663 177.556 176.870 0.038 0.000 1.092 223 L CA 0.440 55.306 54.840 0.043 0.000 0.831 223 L CB 0.108 42.182 42.059 0.025 0.000 1.159 223 L HN 0.638 nan 8.230 nan 0.000 0.442 224 L N 4.100 125.349 121.223 0.044 0.000 2.269 224 L HA 0.316 4.657 4.340 0.001 0.000 0.200 224 L C 0.667 177.532 176.870 -0.008 0.000 1.069 224 L CA 0.245 55.102 54.840 0.028 0.000 0.804 224 L CB -0.047 42.041 42.059 0.048 0.000 0.987 224 L HN 0.549 nan 8.230 nan 0.000 0.468 225 R N -0.390 120.099 120.500 -0.018 0.000 2.651 225 R HA 0.505 4.846 4.340 0.001 0.000 0.278 225 R C -1.186 175.097 176.300 -0.028 0.000 1.010 225 R CA -0.448 55.619 56.100 -0.054 0.000 0.896 225 R CB 2.436 32.659 30.300 -0.129 0.000 1.211 225 R HN -0.062 nan 8.270 nan 0.000 0.456 226 Q N 2.050 121.832 119.800 -0.030 0.000 2.315 226 Q HA 0.417 4.758 4.340 0.001 0.000 0.273 226 Q C -1.612 174.375 176.000 -0.021 0.000 1.053 226 Q CA -0.718 55.076 55.803 -0.014 0.000 0.817 226 Q CB 2.374 31.109 28.738 -0.006 0.000 1.326 226 Q HN 0.401 nan 8.270 nan 0.000 0.423 227 K N 1.670 122.063 120.400 -0.012 0.000 2.468 227 K HA 0.545 4.866 4.320 0.001 0.000 0.252 227 K C -1.473 175.120 176.600 -0.013 0.000 0.932 227 K CA -0.627 55.652 56.287 -0.015 0.000 0.794 227 K CB 2.474 34.966 32.500 -0.014 0.000 1.241 227 K HN 0.475 nan 8.250 nan 0.000 0.428 228 T N 1.657 116.203 114.554 -0.013 0.000 2.824 228 T HA 0.270 4.620 4.350 0.001 0.000 0.282 228 T C -1.210 173.485 174.700 -0.008 0.000 0.993 228 T CA -0.646 61.448 62.100 -0.011 0.000 0.967 228 T CB 1.420 70.285 68.868 -0.004 0.000 0.960 228 T HN 0.402 nan 8.240 nan 0.000 0.441 229 E N 1.801 121.999 120.200 -0.003 0.000 2.272 229 E HA 0.442 4.793 4.350 0.001 0.000 0.269 229 E C -1.220 175.471 176.600 0.150 0.000 0.877 229 E CA -0.516 55.901 56.400 0.028 0.000 0.755 229 E CB 2.132 31.802 29.700 -0.050 0.000 1.192 229 E HN 0.504 nan 8.360 nan 0.000 0.422 230 T N 4.306 118.961 114.554 0.169 0.000 2.823 230 T HA 0.679 5.029 4.350 0.001 0.000 0.279 230 T C -0.882 174.011 174.700 0.321 0.000 0.998 230 T CA -0.460 61.753 62.100 0.189 0.000 0.994 230 T CB 0.151 69.054 68.868 0.058 0.000 0.960 230 T HN 0.365 nan 8.240 nan 0.000 0.448 231 F N 1.300 121.224 119.950 -0.044 0.000 2.628 231 F HA 0.655 5.183 4.527 0.001 0.000 0.309 231 F C -3.231 172.561 175.800 -0.014 0.000 1.108 231 F CA -2.951 55.028 58.000 -0.035 0.000 0.971 231 F CB 0.603 39.571 39.000 -0.053 0.000 1.279 231 F HN 0.252 nan 8.300 nan 0.000 0.441 232 P HA 0.321 nan 4.420 nan 0.000 0.266 232 P C 0.583 177.884 177.300 0.000 0.000 1.195 232 P CA 1.460 64.568 63.100 0.013 0.000 0.768 232 P CB 0.746 32.479 31.700 0.055 0.000 0.838 233 G N 1.559 110.357 108.800 -0.004 0.000 2.593 233 G HA2 -0.212 3.749 3.960 0.001 0.000 0.237 233 G HA3 -0.212 3.749 3.960 0.001 0.000 0.237 233 G C -1.136 173.810 174.900 0.076 0.000 1.312 233 G CA -0.486 44.654 45.100 0.068 0.000 0.896 233 G HN 0.527 nan 8.290 nan 0.000 0.574 234 F N 1.242 121.197 119.950 0.008 0.000 2.507 234 F HA 0.793 5.321 4.527 0.001 0.000 0.327 234 F C 0.448 176.313 175.800 0.110 0.000 1.068 234 F CA 0.190 58.209 58.000 0.031 0.000 0.965 234 F CB 1.921 40.963 39.000 0.070 0.000 1.192 234 F HN 1.400 nan 8.300 nan 0.000 0.476 235 A N 4.186 126.564 122.820 -0.736 0.000 2.549 235 A HA 0.663 4.984 4.320 0.001 0.000 0.297 235 A C -2.329 174.882 177.584 -0.621 0.000 1.061 235 A CA -0.469 51.336 52.037 -0.386 0.000 0.690 235 A CB 0.962 19.939 19.000 -0.038 0.000 1.287 235 A HN 0.678 nan 8.150 nan 0.000 0.402 236 F N 2.587 122.372 119.950 -0.275 0.000 2.434 236 F HA 0.686 5.214 4.527 0.001 0.000 0.355 236 F C -1.044 174.793 175.800 0.062 0.000 1.115 236 F CA -1.118 56.841 58.000 -0.068 0.000 1.010 236 F CB 0.859 39.977 39.000 0.197 0.000 1.234 236 F HN 0.366 nan 8.300 nan 0.000 0.439 237 I N 6.716 127.012 120.570 -0.457 0.000 2.428 237 I HA 0.136 4.307 4.170 0.001 0.000 0.279 237 I C 0.397 176.379 176.117 -0.225 0.000 1.040 237 I CA -0.460 60.683 61.300 -0.262 0.000 1.171 237 I CB 1.099 39.061 38.000 -0.064 0.000 1.312 237 I HN 0.644 nan 8.210 nan 0.000 0.470 238 H N 3.564 122.397 119.070 -0.395 0.000 2.482 238 H HA 0.150 4.707 4.556 0.001 0.000 0.286 238 H C 0.012 175.488 175.328 0.246 0.000 1.017 238 H CA 1.087 57.039 56.048 -0.160 0.000 1.322 238 H CB 0.407 30.183 29.762 0.022 0.000 1.426 238 H HN 0.586 nan 8.280 nan 0.000 0.546 239 D N -1.753 118.758 120.400 0.184 0.000 2.643 239 D HA 0.266 4.907 4.640 0.001 0.000 0.283 239 D C -1.352 175.229 176.300 0.468 0.000 1.242 239 D CA -0.390 53.765 54.000 0.259 0.000 0.863 239 D CB 1.171 41.928 40.800 -0.070 0.000 1.382 239 D HN 0.037 nan 8.370 nan 0.000 0.444 240 F N -0.590 119.434 119.950 0.124 0.000 2.779 240 F HA 0.889 5.417 4.527 0.001 0.000 0.316 240 F C -1.917 173.727 175.800 -0.261 0.000 1.164 240 F CA -1.250 56.603 58.000 -0.246 0.000 0.924 240 F CB 0.723 39.233 39.000 -0.816 0.000 1.348 240 F HN 0.406 nan 8.300 nan 0.000 0.467 241 A N 1.332 123.637 122.820 -0.859 0.000 2.380 241 A HA 0.894 5.214 4.320 0.001 0.000 0.315 241 A C -0.986 176.079 177.584 -0.865 0.000 1.101 241 A CA -0.640 50.900 52.037 -0.827 0.000 0.771 241 A CB 1.333 19.980 19.000 -0.589 0.000 1.287 241 A HN 1.257 nan 8.150 nan 0.000 0.436 242 I N -0.882 119.304 120.570 -0.639 0.000 2.603 242 I HA 0.878 5.048 4.170 0.001 0.000 0.300 242 I C 0.037 176.041 176.117 -0.188 0.000 1.017 242 I CA -0.487 60.583 61.300 -0.382 0.000 1.098 242 I CB 2.365 40.171 38.000 -0.325 0.000 1.279 242 I HN 0.678 nan 8.210 nan 0.000 0.437 243 T N 0.263 114.780 114.554 -0.063 0.000 2.910 243 T HA 0.577 4.928 4.350 0.001 0.000 0.287 243 T C -2.268 172.438 174.700 0.010 0.000 1.050 243 T CA -1.985 60.129 62.100 0.024 0.000 1.011 243 T CB 1.626 70.567 68.868 0.121 0.000 1.195 243 T HN 0.412 nan 8.240 nan 0.000 0.540 244 P HA -0.084 nan 4.420 nan 0.000 0.218 244 P C 0.991 178.056 177.300 -0.392 0.000 1.146 244 P CA 1.251 64.212 63.100 -0.232 0.000 0.813 244 P CB -0.023 31.492 31.700 -0.308 0.000 0.778 245 H N -4.655 114.396 119.070 -0.033 0.000 2.855 245 H HA 0.219 4.775 4.556 0.001 0.000 0.259 245 H C 0.069 175.226 175.328 -0.287 0.000 0.972 245 H CA 0.282 56.239 56.048 -0.153 0.000 1.213 245 H CB 0.432 29.988 29.762 -0.345 0.000 1.451 245 H HN 0.174 nan 8.280 nan 0.000 0.484 246 Y N 0.435 120.811 120.300 0.127 0.000 2.499 246 Y HA 0.558 5.109 4.550 0.001 0.000 0.347 246 Y C -0.106 175.766 175.900 -0.047 0.000 0.987 246 Y CA -1.137 56.986 58.100 0.039 0.000 1.044 246 Y CB 1.697 40.150 38.460 -0.011 0.000 1.245 246 Y HN -0.029 nan 8.280 nan 0.000 0.461 247 A N 3.529 126.427 122.820 0.131 0.000 2.305 247 A HA 0.818 5.139 4.320 0.001 0.000 0.322 247 A C -0.933 176.500 177.584 -0.252 0.000 1.187 247 A CA -0.567 51.427 52.037 -0.073 0.000 0.825 247 A CB 0.167 19.210 19.000 0.073 0.000 1.164 247 A HN 0.707 nan 8.150 nan 0.000 0.498 248 I N 1.908 122.135 120.570 -0.572 0.000 2.410 248 I HA 0.379 4.549 4.170 0.001 0.000 0.286 248 I C -1.469 174.159 176.117 -0.816 0.000 1.009 248 I CA -0.075 60.892 61.300 -0.554 0.000 1.111 248 I CB 1.363 39.078 38.000 -0.475 0.000 1.262 248 I HN 0.511 nan 8.210 nan 0.000 0.443 249 F N 6.439 126.256 119.950 -0.221 0.000 2.427 249 F HA 0.461 4.989 4.527 0.001 0.000 0.348 249 F C -0.141 175.520 175.800 -0.231 0.000 1.125 249 F CA -0.631 57.229 58.000 -0.234 0.000 0.989 249 F CB 1.528 40.344 39.000 -0.307 0.000 1.165 249 F HN 0.301 nan 8.300 nan 0.000 0.442 250 L N 4.257 125.452 121.223 -0.047 0.000 2.260 250 L HA 0.367 4.708 4.340 0.001 0.000 0.289 250 L C -0.280 176.508 176.870 -0.137 0.000 1.057 250 L CA -0.184 54.579 54.840 -0.129 0.000 0.811 250 L CB 0.786 42.766 42.059 -0.132 0.000 1.184 250 L HN 0.661 nan 8.230 nan 0.000 0.429 251 Q N 4.414 124.131 119.800 -0.138 0.000 2.430 251 Q HA 0.271 4.612 4.340 0.001 0.000 0.245 251 Q C -0.716 175.223 176.000 -0.102 0.000 1.021 251 Q CA -0.523 55.214 55.803 -0.109 0.000 0.867 251 Q CB 0.630 29.324 28.738 -0.073 0.000 1.210 251 Q HN 0.715 nan 8.270 nan 0.000 0.487 252 N N 2.202 120.798 118.700 -0.174 0.000 2.453 252 N HA 0.020 4.761 4.740 0.001 0.000 0.253 252 N C -0.354 175.266 175.510 0.182 0.000 1.252 252 N CA -0.132 52.884 53.050 -0.056 0.000 0.917 252 N CB 0.480 38.725 38.487 -0.403 0.000 1.117 252 N HN 0.482 nan 8.380 nan 0.000 0.442 253 N N 1.422 120.314 118.700 0.320 0.000 2.420 253 N HA 0.160 4.900 4.740 0.001 0.000 0.262 253 N C -1.416 174.433 175.510 0.565 0.000 1.144 253 N CA -0.114 53.136 53.050 0.333 0.000 0.952 253 N CB 0.331 38.947 38.487 0.215 0.000 1.081 253 N HN 0.341 nan 8.380 nan 0.000 0.480 254 V N 0.450 120.678 119.914 0.523 0.000 2.888 254 V HA 0.661 4.782 4.120 0.001 0.000 0.309 254 V C -0.024 176.395 176.094 0.543 0.000 1.114 254 V CA -0.950 61.720 62.300 0.616 0.000 0.940 254 V CB 1.249 33.456 31.823 0.641 0.000 1.021 254 V HN 0.601 nan 8.190 nan 0.000 0.426 255 T N 2.011 116.854 114.554 0.483 0.000 2.918 255 T HA 0.824 5.175 4.350 0.001 0.000 0.286 255 T C -0.796 173.925 174.700 0.035 0.000 1.026 255 T CA -0.661 61.615 62.100 0.294 0.000 1.031 255 T CB 1.926 70.975 68.868 0.301 0.000 1.046 255 T HN 1.132 nan 8.240 nan 0.000 0.479 256 L N 1.965 123.096 121.223 -0.154 0.000 2.329 256 L HA 0.719 5.060 4.340 0.001 0.000 0.279 256 L C -0.840 175.934 176.870 -0.160 0.000 1.014 256 L CA -0.483 54.118 54.840 -0.398 0.000 0.814 256 L CB 1.636 43.193 42.059 -0.837 0.000 1.257 256 L HN 0.834 nan 8.230 nan 0.000 0.424 257 N N 2.718 121.342 118.700 -0.126 0.000 2.623 257 N HA 0.403 5.143 4.740 0.001 0.000 0.256 257 N C 0.425 175.926 175.510 -0.015 0.000 1.045 257 N CA -0.025 53.000 53.050 -0.042 0.000 0.863 257 N CB 1.626 40.106 38.487 -0.012 0.000 1.182 257 N HN 0.761 nan 8.380 nan 0.000 0.523 258 G N 2.071 110.884 108.800 0.022 0.000 2.985 258 G HA2 0.015 3.976 3.960 0.001 0.000 0.209 258 G HA3 0.015 3.976 3.960 0.001 0.000 0.209 258 G C 1.332 176.350 174.900 0.197 0.000 1.165 258 G CA 0.098 45.266 45.100 0.114 0.000 0.776 258 G HN 0.553 nan 8.290 nan 0.000 0.541 259 L N 0.762 122.080 121.223 0.158 0.000 1.989 259 L HA -0.075 4.265 4.340 0.001 0.000 0.211 259 L C 0.142 177.169 176.870 0.262 0.000 1.071 259 L CA 1.423 56.400 54.840 0.229 0.000 0.749 259 L CB -1.104 41.045 42.059 0.150 0.000 0.890 259 L HN 0.120 nan 8.230 nan 0.000 0.431 260 P HA -0.232 nan 4.420 nan 0.000 0.216 260 P C 1.303 178.718 177.300 0.192 0.000 1.150 260 P CA 1.381 64.563 63.100 0.138 0.000 0.837 260 P CB -0.104 31.644 31.700 0.080 0.000 0.786 261 Y N 0.925 121.270 120.300 0.075 0.000 2.114 261 Y HA -0.168 4.383 4.550 0.001 0.000 0.284 261 Y C 2.166 178.121 175.900 0.093 0.000 1.143 261 Y CA 1.204 59.343 58.100 0.064 0.000 1.135 261 Y CB -1.252 37.224 38.460 0.027 0.000 0.980 261 Y HN -0.215 nan 8.280 nan 0.000 0.499 262 L N -0.405 120.744 121.223 -0.123 0.000 2.042 262 L HA -0.191 4.150 4.340 0.001 0.000 0.210 262 L C 1.656 178.411 176.870 -0.191 0.000 1.076 262 L CA 1.894 56.607 54.840 -0.211 0.000 0.749 262 L CB -1.050 41.012 42.059 0.004 0.000 0.893 262 L HN 0.222 nan 8.230 nan 0.000 0.432 263 F N 0.341 120.253 119.950 -0.063 0.000 2.804 263 F HA 0.292 4.819 4.527 0.001 0.000 0.303 263 F C 1.827 177.554 175.800 -0.122 0.000 1.154 263 F CA 0.614 58.529 58.000 -0.142 0.000 1.401 263 F CB -0.367 38.565 39.000 -0.114 0.000 1.106 263 F HN 0.278 nan 8.300 nan 0.000 0.568 264 G N 0.193 108.992 108.800 -0.002 0.000 2.148 264 G HA2 -0.311 3.650 3.960 0.001 0.000 0.254 264 G HA3 -0.311 3.650 3.960 0.001 0.000 0.254 264 G C 1.059 176.030 174.900 0.118 0.000 0.981 264 G CA 0.534 45.656 45.100 0.036 0.000 0.670 264 G HN 0.436 nan 8.290 nan 0.000 0.528 265 L N -1.225 120.069 121.223 0.117 0.000 2.209 265 L HA 0.293 4.633 4.340 0.001 0.000 0.207 265 L C 1.790 178.724 176.870 0.105 0.000 1.094 265 L CA 1.173 56.073 54.840 0.100 0.000 0.790 265 L CB -0.178 41.910 42.059 0.049 0.000 0.932 265 L HN 0.365 nan 8.230 nan 0.000 0.447 266 R N -1.307 119.274 120.500 0.134 0.000 2.781 266 R HA 0.525 4.866 4.340 0.001 0.000 0.269 266 R C -0.435 175.986 176.300 0.201 0.000 1.025 266 R CA -0.674 55.505 56.100 0.133 0.000 0.914 266 R CB 0.681 31.037 30.300 0.093 0.000 1.236 266 R HN -0.087 nan 8.270 nan 0.000 0.465 267 G N -0.444 108.439 108.800 0.139 0.000 2.572 267 G HA2 0.372 4.333 3.960 0.001 0.000 0.261 267 G HA3 0.372 4.333 3.960 0.001 0.000 0.261 267 G C 0.774 175.626 174.900 -0.079 0.000 1.197 267 G CA -0.012 45.147 45.100 0.099 0.000 0.870 267 G HN 0.626 nan 8.290 nan 0.000 0.548 268 A N 0.550 123.121 122.820 -0.415 0.000 1.902 268 A HA 0.058 4.379 4.320 0.001 0.000 0.217 268 A C 2.477 179.803 177.584 -0.429 0.000 1.181 268 A CA 2.142 53.751 52.037 -0.713 0.000 0.623 268 A CB -0.816 17.572 19.000 -1.021 0.000 0.818 268 A HN 1.127 nan 8.150 nan 0.000 0.443 269 G N -0.790 107.725 108.800 -0.475 0.000 2.776 269 G HA2 0.022 3.983 3.960 0.001 0.000 0.209 269 G HA3 0.022 3.983 3.960 0.001 0.000 0.209 269 G C 0.916 175.660 174.900 -0.259 0.000 1.145 269 G CA 0.584 45.385 45.100 -0.498 0.000 0.791 269 G HN 0.692 nan 8.290 nan 0.000 0.530 270 E N -0.822 119.277 120.200 -0.169 0.000 2.465 270 E HA 0.125 4.476 4.350 0.001 0.000 0.195 270 E C 0.547 177.107 176.600 -0.066 0.000 1.028 270 E CA -0.332 56.029 56.400 -0.065 0.000 0.899 270 E CB 0.398 30.096 29.700 -0.004 0.000 1.032 270 E HN 0.324 nan 8.360 nan 0.000 0.468 271 C N 1.054 120.283 119.300 -0.118 0.000 3.000 271 C HA 0.259 4.720 4.460 0.001 0.000 0.286 271 C C 0.448 175.343 174.990 -0.158 0.000 1.343 271 C CA -0.364 58.588 59.018 -0.110 0.000 1.742 271 C CB -0.240 27.435 27.740 -0.109 0.000 2.200 271 C HN 0.023 nan 8.230 nan 0.000 0.621 272 V N 1.708 121.537 119.914 -0.142 0.000 2.384 272 V HA 0.344 4.465 4.120 0.001 0.000 0.287 272 V C -0.220 175.856 176.094 -0.029 0.000 1.020 272 V CA -0.240 61.992 62.300 -0.113 0.000 0.850 272 V CB 1.530 33.318 31.823 -0.059 0.000 0.987 272 V HN 0.418 nan 8.190 nan 0.000 0.436 273 Q N 3.661 123.459 119.800 -0.004 0.000 2.278 273 Q HA 0.420 4.761 4.340 0.001 0.000 0.257 273 Q C -1.245 174.733 176.000 -0.036 0.000 0.928 273 Q CA -0.654 55.104 55.803 -0.076 0.000 0.932 273 Q CB 1.284 29.910 28.738 -0.186 0.000 1.221 273 Q HN 0.649 nan 8.270 nan 0.000 0.434 274 F N 4.738 124.581 119.950 -0.179 0.000 2.396 274 F HA 0.247 4.775 4.527 0.002 0.000 0.343 274 F C -0.746 174.918 175.800 -0.226 0.000 1.104 274 F CA -0.410 57.558 58.000 -0.053 0.000 1.161 274 F CB 0.645 39.656 39.000 0.018 0.000 1.146 274 F HN 0.557 nan 8.300 nan 0.000 0.522 275 H N 7.876 126.806 119.070 -0.233 0.000 2.632 275 H HA 0.210 4.766 4.556 0.001 0.000 0.258 275 H C -1.961 172.972 175.328 -0.658 0.000 1.278 275 H CA -1.546 54.280 56.048 -0.370 0.000 1.352 275 H CB 0.810 30.514 29.762 -0.097 0.000 1.418 275 H HN 0.470 nan 8.280 nan 0.000 0.513 276 P HA -0.131 nan 4.420 nan 0.000 0.226 276 P C 0.982 178.159 177.300 -0.205 0.000 1.153 276 P CA 0.834 63.541 63.100 -0.655 0.000 0.777 276 P CB 0.396 31.784 31.700 -0.520 0.000 0.794 277 D N -0.467 119.846 120.400 -0.145 0.000 2.312 277 D HA -0.067 4.574 4.640 0.001 0.000 0.211 277 D C 0.513 176.795 176.300 -0.030 0.000 0.964 277 D CA 0.705 54.671 54.000 -0.058 0.000 0.877 277 D CB -0.166 40.613 40.800 -0.035 0.000 0.924 277 D HN 0.211 nan 8.370 nan 0.000 0.515 278 K N 1.169 121.555 120.400 -0.022 0.000 2.118 278 K HA 0.417 4.737 4.320 0.001 0.000 0.254 278 K C -2.630 173.977 176.600 0.011 0.000 0.961 278 K CA -2.035 54.248 56.287 -0.007 0.000 0.876 278 K CB 1.327 33.818 32.500 -0.015 0.000 1.077 278 K HN -0.075 nan 8.250 nan 0.000 0.440 279 P HA 0.019 nan 4.420 nan 0.000 0.271 279 P C -0.818 176.489 177.300 0.012 0.000 1.216 279 P CA -0.145 62.955 63.100 0.000 0.000 0.776 279 P CB 0.625 32.315 31.700 -0.016 0.000 0.881 280 A N 3.275 126.093 122.820 -0.003 0.000 2.346 280 A HA 0.319 4.640 4.320 0.001 0.000 0.252 280 A C -0.038 177.498 177.584 -0.080 0.000 1.089 280 A CA -0.092 51.921 52.037 -0.040 0.000 0.797 280 A CB 0.027 18.968 19.000 -0.098 0.000 1.047 280 A HN 0.494 nan 8.150 nan 0.000 0.494 281 Q N 0.548 120.287 119.800 -0.102 0.000 2.325 281 Q HA 0.414 4.755 4.340 0.001 0.000 0.270 281 Q C -1.138 174.765 176.000 -0.162 0.000 1.020 281 Q CA -0.083 55.648 55.803 -0.119 0.000 0.785 281 Q CB 1.786 30.465 28.738 -0.099 0.000 1.259 281 Q HN 0.656 nan 8.270 nan 0.000 0.452 282 I N 3.784 124.240 120.570 -0.190 0.000 2.337 282 I HA 0.192 4.363 4.170 0.001 0.000 0.291 282 I C 0.100 176.111 176.117 -0.177 0.000 1.046 282 I CA -0.369 60.796 61.300 -0.224 0.000 1.324 282 I CB 0.586 38.419 38.000 -0.277 0.000 1.409 282 I HN 0.324 nan 8.210 nan 0.000 0.494 283 I N 8.169 128.654 120.570 -0.142 0.000 2.297 283 I HA 0.254 4.425 4.170 0.001 0.000 0.291 283 I C -0.074 176.002 176.117 -0.068 0.000 1.033 283 I CA -0.344 60.900 61.300 -0.093 0.000 1.253 283 I CB 0.875 38.840 38.000 -0.059 0.000 1.396 283 I HN 0.392 nan 8.210 nan 0.000 0.476 284 L N 7.240 128.401 121.223 -0.103 0.000 2.259 284 L HA 0.386 4.727 4.340 0.001 0.000 0.288 284 L C -0.163 176.774 176.870 0.112 0.000 1.051 284 L CA -0.639 54.132 54.840 -0.115 0.000 0.824 284 L CB 1.151 42.969 42.059 -0.402 0.000 1.206 284 L HN 0.236 nan 8.230 nan 0.000 0.429 285 V N 5.057 125.102 119.914 0.218 0.000 2.318 285 V HA 0.259 4.380 4.120 0.001 0.000 0.271 285 V C -2.043 174.216 176.094 0.276 0.000 1.030 285 V CA -1.875 60.565 62.300 0.234 0.000 0.844 285 V CB 1.040 33.012 31.823 0.247 0.000 1.015 285 V HN 0.539 nan 8.190 nan 0.000 0.460 286 P HA 0.175 nan 4.420 nan 0.000 0.264 286 P C 0.598 177.886 177.300 -0.019 0.000 1.193 286 P CA 0.116 63.197 63.100 -0.032 0.000 0.763 286 P CB 0.570 32.246 31.700 -0.039 0.000 0.810 287 R N 2.336 122.811 120.500 -0.042 0.000 2.148 287 R HA -0.080 4.261 4.340 0.001 0.000 0.223 287 R C 1.049 177.143 176.300 -0.343 0.000 1.088 287 R CA 1.332 57.362 56.100 -0.117 0.000 0.985 287 R CB -0.215 30.062 30.300 -0.038 0.000 0.880 287 R HN 0.596 nan 8.270 nan 0.000 0.451 288 D N -0.369 119.861 120.400 -0.282 0.000 2.358 288 D HA 0.108 4.749 4.640 0.001 0.000 0.224 288 D C 0.607 176.838 176.300 -0.116 0.000 1.123 288 D CA 0.385 54.213 54.000 -0.288 0.000 0.833 288 D CB 0.044 40.798 40.800 -0.076 0.000 0.946 288 D HN 0.172 nan 8.370 nan 0.000 0.505 289 G N -0.957 107.794 108.800 -0.082 0.000 2.787 289 G HA2 0.397 4.358 3.960 0.001 0.000 0.685 289 G HA3 0.397 4.358 3.960 0.001 0.000 0.685 289 G C 0.232 175.124 174.900 -0.013 0.000 1.437 289 G CA -0.182 44.896 45.100 -0.037 0.000 0.872 289 G HN 1.341 nan 8.290 nan 0.000 0.566 290 G N -0.650 108.150 108.800 -0.000 0.000 2.381 290 G HA2 0.476 4.437 3.960 0.001 0.000 0.672 290 G HA3 0.476 4.437 3.960 0.001 0.000 0.672 290 G C -0.434 174.481 174.900 0.024 0.000 1.324 290 G CA 0.561 45.668 45.100 0.013 0.000 0.975 290 G HN 1.684 nan 8.290 nan 0.000 0.593 291 E N -0.323 119.895 120.200 0.031 0.000 2.417 291 E HA 0.361 4.712 4.350 0.001 0.000 0.261 291 E C 0.960 177.589 176.600 0.048 0.000 1.000 291 E CA -0.042 56.376 56.400 0.029 0.000 0.919 291 E CB 0.253 29.968 29.700 0.024 0.000 0.955 291 E HN 0.443 nan 8.360 nan 0.000 0.455 292 I N 4.388 124.972 120.570 0.024 0.000 2.517 292 I HA -0.001 4.170 4.170 0.001 0.000 0.285 292 I C 0.540 176.655 176.117 -0.004 0.000 1.106 292 I CA 0.116 61.427 61.300 0.018 0.000 1.402 292 I CB 0.489 38.472 38.000 -0.028 0.000 1.399 292 I HN 0.337 nan 8.210 nan 0.000 0.535 293 K N 7.123 127.520 120.400 -0.005 0.000 2.211 293 K HA 0.389 4.709 4.320 0.001 0.000 0.275 293 K C -0.733 175.815 176.600 -0.087 0.000 1.024 293 K CA -0.451 55.807 56.287 -0.049 0.000 0.887 293 K CB 0.755 33.217 32.500 -0.063 0.000 1.084 293 K HN 0.430 nan 8.250 nan 0.000 0.463 294 R N 4.758 125.206 120.500 -0.088 0.000 2.310 294 R HA 0.429 4.769 4.340 0.001 0.000 0.324 294 R C -0.680 175.561 176.300 -0.098 0.000 0.955 294 R CA -0.624 55.413 56.100 -0.104 0.000 0.830 294 R CB 0.894 31.134 30.300 -0.101 0.000 1.154 294 R HN 0.506 nan 8.270 nan 0.000 0.458 295 I N 5.142 125.642 120.570 -0.116 0.000 2.389 295 I HA 0.310 4.480 4.170 0.001 0.000 0.288 295 I C -2.041 174.013 176.117 -0.106 0.000 0.999 295 I CA -2.457 58.780 61.300 -0.106 0.000 1.129 295 I CB 2.235 40.164 38.000 -0.118 0.000 1.288 295 I HN 0.329 nan 8.210 nan 0.000 0.444 296 P HA 0.193 nan 4.420 nan 0.000 0.274 296 P C -0.947 176.314 177.300 -0.065 0.000 1.231 296 P CA -0.196 62.863 63.100 -0.068 0.000 0.790 296 P CB 2.152 33.825 31.700 -0.045 0.000 0.951 297 V N 2.056 121.933 119.914 -0.063 0.000 2.950 297 V HA 0.140 4.260 4.120 0.001 0.000 0.295 297 V C -1.243 174.838 176.094 -0.021 0.000 1.297 297 V CA -0.708 61.570 62.300 -0.037 0.000 0.962 297 V CB 2.342 34.126 31.823 -0.066 0.000 1.081 297 V HN 0.375 nan 8.190 nan 0.000 0.432 298 Q N 3.486 123.288 119.800 0.003 0.000 2.293 298 Q HA 0.588 4.929 4.340 0.001 0.000 0.263 298 Q C 0.479 176.475 176.000 -0.006 0.000 1.002 298 Q CA 0.626 56.429 55.803 -0.001 0.000 0.910 298 Q CB 1.649 30.384 28.738 -0.005 0.000 1.185 298 Q HN 0.971 nan 8.270 nan 0.000 0.401 299 A N 1.962 124.783 122.820 0.001 0.000 1.937 299 A HA 0.514 4.835 4.320 0.001 0.000 0.198 299 A C 0.675 178.238 177.584 -0.035 0.000 1.635 299 A CA 0.667 52.690 52.037 -0.024 0.000 1.111 299 A CB 0.268 19.271 19.000 0.004 0.000 1.165 299 A HN 0.887 nan 8.150 nan 0.000 0.460 300 G N -0.780 108.124 108.800 0.173 0.000 2.767 300 G HA2 0.004 3.964 3.960 0.001 0.000 0.686 300 G HA3 0.004 3.964 3.960 0.001 0.000 0.686 300 G C -0.455 174.554 174.900 0.182 0.000 1.213 300 G CA -0.255 45.018 45.100 0.289 0.000 0.803 300 G HN 1.009 nan 8.290 nan 0.000 0.603 301 F N 1.381 121.301 119.950 -0.051 0.000 2.538 301 F HA 0.458 4.985 4.527 0.001 0.000 0.371 301 F C 0.962 176.635 175.800 -0.211 0.000 1.087 301 F CA 0.248 57.959 58.000 -0.481 0.000 1.250 301 F CB 0.971 39.379 39.000 -0.987 0.000 1.110 301 F HN 0.387 nan 8.300 nan 0.000 0.570 302 V N 8.239 127.709 119.914 -0.739 0.000 2.378 302 V HA 0.152 4.272 4.120 0.001 0.000 0.288 302 V C 0.067 175.867 176.094 -0.491 0.000 1.016 302 V CA -0.311 61.761 62.300 -0.381 0.000 0.840 302 V CB 1.058 32.679 31.823 -0.336 0.000 0.994 302 V HN 0.795 nan 8.190 nan 0.000 0.431 303 F N 1.790 121.764 119.950 0.040 0.000 2.317 303 F HA 0.258 4.786 4.527 0.001 0.000 0.290 303 F C 1.127 176.777 175.800 -0.250 0.000 1.075 303 F CA 0.417 58.370 58.000 -0.080 0.000 1.380 303 F CB 0.155 39.011 39.000 -0.239 0.000 1.093 303 F HN 0.480 nan 8.300 nan 0.000 0.524 304 H N -1.165 117.984 119.070 0.131 0.000 2.538 304 H HA 0.350 4.907 4.556 0.002 0.000 0.353 304 H C -0.724 174.478 175.328 -0.210 0.000 1.109 304 H CA -0.894 55.127 56.048 -0.044 0.000 1.192 304 H CB 1.028 30.877 29.762 0.145 0.000 1.555 304 H HN -0.057 nan 8.280 nan 0.000 0.518 305 H N 1.137 120.308 119.070 0.168 0.000 2.463 305 H HA 0.270 4.827 4.556 0.001 0.000 0.332 305 H C 0.441 175.828 175.328 0.098 0.000 1.127 305 H CA -0.128 55.983 56.048 0.106 0.000 1.238 305 H CB 2.083 31.843 29.762 -0.003 0.000 1.478 305 H HN 0.849 nan 8.280 nan 0.000 0.499 306 A N 2.708 125.671 122.820 0.238 0.000 1.854 306 A HA -0.087 4.234 4.320 0.001 0.000 0.214 306 A C 0.814 178.425 177.584 0.045 0.000 1.192 306 A CA 1.446 53.586 52.037 0.172 0.000 0.611 306 A CB 0.015 19.156 19.000 0.235 0.000 0.832 306 A HN 0.714 nan 8.150 nan 0.000 0.442 307 N N -4.327 114.386 118.700 0.023 0.000 3.533 307 N HA 0.537 5.278 4.740 0.001 0.000 0.229 307 N C -1.504 173.981 175.510 -0.041 0.000 1.418 307 N CA 0.373 53.342 53.050 -0.134 0.000 0.880 307 N CB 0.785 38.951 38.487 -0.535 0.000 1.415 307 N HN 0.625 nan 8.380 nan 0.000 0.491 308 A N 0.157 122.939 122.820 -0.064 0.000 2.569 308 A HA 0.912 5.233 4.320 0.001 0.000 0.290 308 A C -1.688 175.972 177.584 0.127 0.000 1.136 308 A CA -0.481 51.523 52.037 -0.055 0.000 0.710 308 A CB 0.824 19.715 19.000 -0.182 0.000 1.303 308 A HN 0.865 nan 8.150 nan 0.000 0.413 309 F N -1.892 118.054 119.950 -0.008 0.000 2.773 309 F HA 0.743 5.271 4.527 0.002 0.000 0.314 309 F C -0.837 174.983 175.800 0.035 0.000 1.160 309 F CA -0.861 57.148 58.000 0.015 0.000 0.920 309 F CB 0.843 39.871 39.000 0.047 0.000 1.323 309 F HN 0.539 nan 8.300 nan 0.000 0.457 310 E N 0.389 120.752 120.200 0.273 0.000 2.242 310 E HA 0.564 4.915 4.350 0.001 0.000 0.275 310 E C -1.376 175.382 176.600 0.263 0.000 1.002 310 E CA -0.857 55.652 56.400 0.181 0.000 0.841 310 E CB 2.026 31.840 29.700 0.191 0.000 1.109 310 E HN 0.622 nan 8.360 nan 0.000 0.394 311 E N 2.252 122.545 120.200 0.154 0.000 2.506 311 E HA 0.072 4.423 4.350 0.001 0.000 0.308 311 E C -1.231 175.413 176.600 0.072 0.000 0.931 311 E CA -0.507 55.986 56.400 0.154 0.000 0.800 311 E CB 0.537 30.389 29.700 0.253 0.000 1.292 311 E HN 0.551 nan 8.360 nan 0.000 0.401 312 N N 2.846 121.578 118.700 0.053 0.000 2.714 312 N HA -0.259 4.482 4.740 0.001 0.000 0.252 312 N C 0.649 176.166 175.510 0.013 0.000 1.014 312 N CA 1.497 54.563 53.050 0.026 0.000 0.735 312 N CB -1.089 37.411 38.487 0.023 0.000 0.924 312 N HN 1.019 nan 8.380 nan 0.000 0.540 313 G N -1.632 107.176 108.800 0.013 0.000 2.186 313 G HA2 -0.383 3.577 3.960 0.001 0.000 0.266 313 G HA3 -0.383 3.577 3.960 0.001 0.000 0.266 313 G C 0.250 175.142 174.900 -0.014 0.000 0.982 313 G CA 1.277 46.377 45.100 0.001 0.000 0.670 313 G HN 0.446 nan 8.290 nan 0.000 0.533 314 K N 0.030 120.420 120.400 -0.018 0.000 2.130 314 K HA 0.736 5.057 4.320 0.001 0.000 0.268 314 K C 0.569 177.120 176.600 -0.081 0.000 0.983 314 K CA -0.743 55.513 56.287 -0.051 0.000 0.893 314 K CB 1.029 33.502 32.500 -0.045 0.000 1.066 314 K HN 0.231 nan 8.250 nan 0.000 0.450 315 I N 4.332 124.821 120.570 -0.136 0.000 2.336 315 I HA 0.343 4.513 4.170 0.001 0.000 0.292 315 I C -0.177 175.787 176.117 -0.255 0.000 0.991 315 I CA -1.212 59.971 61.300 -0.194 0.000 1.227 315 I CB 1.086 38.943 38.000 -0.239 0.000 1.366 315 I HN 0.517 nan 8.210 nan 0.000 0.466 316 I N 6.939 127.244 120.570 -0.442 0.000 2.474 316 I HA 0.679 4.850 4.170 0.001 0.000 0.294 316 I C -1.572 174.315 176.117 -0.383 0.000 1.005 316 I CA -0.565 60.452 61.300 -0.470 0.000 1.113 316 I CB 1.868 39.493 38.000 -0.625 0.000 1.289 316 I HN 0.501 nan 8.210 nan 0.000 0.436 317 L N 6.195 127.352 121.223 -0.110 0.000 2.439 317 L HA 0.666 5.007 4.340 0.001 0.000 0.270 317 L C -1.842 175.163 176.870 0.224 0.000 0.972 317 L CA 0.016 54.868 54.840 0.021 0.000 0.836 317 L CB 1.697 43.748 42.059 -0.013 0.000 1.255 317 L HN 0.626 nan 8.230 nan 0.000 0.404 318 D N 3.324 123.856 120.400 0.221 0.000 2.344 318 D HA 0.691 5.332 4.640 0.001 0.000 0.239 318 D C -1.017 175.486 176.300 0.337 0.000 1.064 318 D CA -0.020 54.141 54.000 0.269 0.000 0.829 318 D CB 2.007 42.985 40.800 0.297 0.000 1.129 318 D HN 0.533 nan 8.370 nan 0.000 0.506 319 S N 1.256 117.178 115.700 0.370 0.000 2.546 319 S HA 0.473 4.944 4.470 0.001 0.000 0.274 319 S C -0.313 174.469 174.600 0.303 0.000 1.121 319 S CA -0.818 57.609 58.200 0.378 0.000 0.887 319 S CB 1.608 65.129 63.200 0.535 0.000 1.094 319 S HN 0.258 nan 8.310 nan 0.000 0.474 320 I N 2.151 122.862 120.570 0.234 0.000 2.337 320 I HA 0.280 4.451 4.170 0.001 0.000 0.291 320 I C -0.222 176.006 176.117 0.185 0.000 1.046 320 I CA -0.195 61.227 61.300 0.204 0.000 1.324 320 I CB -0.228 37.895 38.000 0.205 0.000 1.409 320 I HN 0.581 nan 8.210 nan 0.000 0.494 321 C N 6.576 125.984 119.300 0.180 0.000 2.435 321 C HA 0.578 5.039 4.460 0.001 0.000 0.333 321 C C -0.228 174.781 174.990 0.031 0.000 1.202 321 C CA -0.823 58.280 59.018 0.141 0.000 1.830 321 C CB 0.986 28.718 27.740 -0.015 0.000 2.326 321 C HN 0.568 nan 8.230 nan 0.000 0.507 322 Y N 1.385 121.814 120.300 0.214 0.000 2.328 322 Y HA 0.295 4.846 4.550 0.001 0.000 0.336 322 Y C 1.536 177.582 175.900 0.244 0.000 0.960 322 Y CA -0.173 58.073 58.100 0.243 0.000 1.134 322 Y CB 0.721 39.332 38.460 0.252 0.000 1.166 322 Y HN 0.748 nan 8.280 nan 0.000 0.464 323 N N 1.439 120.348 118.700 0.349 0.000 2.149 323 N HA -0.164 4.576 4.740 0.001 0.000 0.188 323 N C 0.083 175.796 175.510 0.338 0.000 1.019 323 N CA 1.471 54.694 53.050 0.289 0.000 0.857 323 N CB 0.327 38.955 38.487 0.236 0.000 0.997 323 N HN 0.672 nan 8.380 nan 0.000 0.426 324 S N -1.113 114.805 115.700 0.363 0.000 2.656 324 S HA 0.626 5.096 4.470 0.001 0.000 0.273 324 S C -1.057 173.728 174.600 0.308 0.000 1.168 324 S CA -1.025 57.387 58.200 0.354 0.000 0.817 324 S CB 2.042 65.368 63.200 0.210 0.000 1.146 324 S HN 0.035 nan 8.310 nan 0.000 0.475 325 L N 1.485 122.856 121.223 0.247 0.000 2.370 325 L HA 0.637 4.978 4.340 0.001 0.000 0.266 325 L C -2.248 174.663 176.870 0.068 0.000 1.002 325 L CA -2.082 52.813 54.840 0.092 0.000 0.818 325 L CB 2.166 44.213 42.059 -0.020 0.000 1.325 325 L HN 0.655 nan 8.230 nan 0.000 0.418 326 P HA 0.132 nan 4.420 nan 0.000 0.272 326 P C -0.967 176.338 177.300 0.008 0.000 1.223 326 P CA -0.588 62.521 63.100 0.014 0.000 0.784 326 P CB 0.633 32.327 31.700 -0.009 0.000 0.923 327 Q N 0.289 120.095 119.800 0.009 0.000 2.428 327 Q HA 0.079 4.420 4.340 0.001 0.000 0.276 327 Q C 0.245 176.247 176.000 0.004 0.000 1.059 327 Q CA -0.042 55.763 55.803 0.003 0.000 0.923 327 Q CB 0.413 29.154 28.738 0.004 0.000 1.283 327 Q HN 0.453 nan 8.270 nan 0.000 0.447 328 V N 0.230 120.146 119.914 0.004 0.000 2.508 328 V HA 0.102 4.222 4.120 0.001 0.000 0.281 328 V C -0.052 176.053 176.094 0.019 0.000 1.041 328 V CA -0.649 61.660 62.300 0.014 0.000 1.016 328 V CB 1.181 33.014 31.823 0.017 0.000 0.984 328 V HN 0.572 nan 8.190 nan 0.000 0.478 329 D N 4.500 124.916 120.400 0.027 0.000 2.352 329 D HA 0.190 4.830 4.640 0.001 0.000 0.245 329 D C 1.472 177.794 176.300 0.036 0.000 1.224 329 D CA 0.576 54.593 54.000 0.028 0.000 0.879 329 D CB 1.645 42.463 40.800 0.030 0.000 1.057 329 D HN 0.939 nan 8.370 nan 0.000 0.491 330 T N 0.463 115.035 114.554 0.029 0.000 2.995 330 T HA -0.100 4.250 4.350 0.001 0.000 0.269 330 T C 0.702 175.424 174.700 0.037 0.000 1.091 330 T CA 0.387 62.507 62.100 0.033 0.000 1.128 330 T CB 0.164 69.045 68.868 0.022 0.000 0.891 330 T HN 0.213 nan 8.240 nan 0.000 0.492 331 D N 0.819 121.238 120.400 0.032 0.000 2.513 331 D HA 0.569 5.210 4.640 0.001 0.000 0.295 331 D C -0.154 176.163 176.300 0.028 0.000 1.202 331 D CA -0.157 53.862 54.000 0.031 0.000 0.849 331 D CB 0.529 41.343 40.800 0.024 0.000 1.116 331 D HN 0.587 nan 8.370 nan 0.000 0.502 332 G N 0.532 109.353 108.800 0.034 0.000 2.523 332 G HA2 0.418 4.379 3.960 0.001 0.000 0.291 332 G HA3 0.418 4.379 3.960 0.001 0.000 0.291 332 G C -1.663 173.259 174.900 0.036 0.000 1.450 332 G CA -0.695 44.421 45.100 0.026 0.000 0.790 332 G HN 0.034 nan 8.290 nan 0.000 0.496 333 D N -0.682 119.722 120.400 0.006 0.000 2.490 333 D HA 0.381 5.022 4.640 0.001 0.000 0.232 333 D C 1.357 177.647 176.300 -0.018 0.000 1.053 333 D CA -0.568 53.431 54.000 -0.002 0.000 0.914 333 D CB 1.835 42.561 40.800 -0.123 0.000 1.431 333 D HN 0.341 nan 8.370 nan 0.000 0.483 334 F N 0.906 120.818 119.950 -0.064 0.000 2.192 334 F HA -0.150 4.378 4.527 0.001 0.000 0.301 334 F C 1.828 177.663 175.800 0.058 0.000 1.079 334 F CA 1.048 58.995 58.000 -0.089 0.000 1.303 334 F CB -0.349 38.444 39.000 -0.344 0.000 1.024 334 F HN 0.122 nan 8.300 nan 0.000 0.494 335 R N 0.877 120.860 120.500 -0.860 0.000 2.159 335 R HA -0.112 4.229 4.340 0.001 0.000 0.237 335 R C 1.988 178.260 176.300 -0.048 0.000 1.131 335 R CA 1.436 57.206 56.100 -0.550 0.000 0.982 335 R CB -0.603 29.315 30.300 -0.637 0.000 0.868 335 R HN 0.559 nan 8.270 nan 0.000 0.453 336 S N -0.660 115.023 115.700 -0.029 0.000 2.614 336 S HA 0.078 4.549 4.470 0.001 0.000 0.230 336 S C 0.294 174.942 174.600 0.079 0.000 0.952 336 S CA -0.559 57.669 58.200 0.047 0.000 0.949 336 S CB 0.287 63.495 63.200 0.012 0.000 0.786 336 S HN -0.060 nan 8.310 nan 0.000 0.478 337 T N 4.444 119.065 114.554 0.111 0.000 2.871 337 T HA 0.081 4.432 4.350 0.001 0.000 0.296 337 T C -0.013 174.699 174.700 0.020 0.000 0.998 337 T CA 0.162 62.261 62.100 -0.001 0.000 1.162 337 T CB 0.008 68.799 68.868 -0.128 0.000 0.947 337 T HN 0.404 nan 8.240 nan 0.000 0.536 338 N N 2.523 121.218 118.700 -0.008 0.000 2.527 338 N HA 0.194 4.935 4.740 0.001 0.000 0.236 338 N C 0.528 176.057 175.510 0.031 0.000 0.999 338 N CA -0.852 52.240 53.050 0.071 0.000 0.935 338 N CB -0.085 38.448 38.487 0.076 0.000 1.132 338 N HN 0.467 nan 8.380 nan 0.000 0.511 339 F N 1.041 120.992 119.950 0.001 0.000 2.192 339 F HA -0.187 4.341 4.527 0.002 0.000 0.301 339 F C 1.662 177.495 175.800 0.055 0.000 1.079 339 F CA 1.001 58.996 58.000 -0.009 0.000 1.303 339 F CB 0.225 39.175 39.000 -0.083 0.000 1.024 339 F HN 0.435 nan 8.300 nan 0.000 0.494 340 D N -0.383 120.160 120.400 0.238 0.000 2.263 340 D HA -0.125 4.516 4.640 0.001 0.000 0.208 340 D C 1.497 177.867 176.300 0.116 0.000 0.971 340 D CA 0.831 54.933 54.000 0.170 0.000 0.867 340 D CB -0.381 40.506 40.800 0.145 0.000 0.929 340 D HN 0.296 nan 8.370 nan 0.000 0.492 341 N N -0.153 118.598 118.700 0.084 0.000 2.336 341 N HA 0.083 4.824 4.740 0.001 0.000 0.189 341 N C 0.349 175.894 175.510 0.058 0.000 1.113 341 N CA 0.105 53.192 53.050 0.061 0.000 0.858 341 N CB 0.928 39.438 38.487 0.039 0.000 0.970 341 N HN 0.230 nan 8.380 nan 0.000 0.471 342 L N 0.240 121.501 121.223 0.063 0.000 2.334 342 L HA 0.378 4.719 4.340 0.001 0.000 0.272 342 L C -0.172 176.788 176.870 0.149 0.000 1.020 342 L CA -0.895 53.990 54.840 0.076 0.000 0.812 342 L CB 1.289 43.346 42.059 -0.003 0.000 1.264 342 L HN -0.198 nan 8.230 nan 0.000 0.439 343 D N 1.773 122.295 120.400 0.202 0.000 2.193 343 D HA 0.355 4.996 4.640 0.001 0.000 0.249 343 D C -2.298 174.187 176.300 0.309 0.000 1.034 343 D CA -1.118 53.025 54.000 0.239 0.000 0.902 343 D CB 1.598 42.551 40.800 0.255 0.000 1.182 343 D HN 0.211 nan 8.370 nan 0.000 0.436 344 P HA 0.206 nan 4.420 nan 0.000 0.277 344 P C 0.070 177.313 177.300 -0.095 0.000 1.240 344 P CA -0.550 62.641 63.100 0.152 0.000 0.798 344 P CB 0.713 32.478 31.700 0.108 0.000 0.979 345 G N 2.143 110.751 108.800 -0.320 0.000 2.340 345 G HA2 0.243 4.204 3.960 0.001 0.000 0.245 345 G HA3 0.243 4.204 3.960 0.001 0.000 0.245 345 G C -0.557 174.227 174.900 -0.193 0.000 1.294 345 G CA -0.188 44.511 45.100 -0.669 0.000 0.896 345 G HN 0.505 nan 8.290 nan 0.000 0.522 346 Q N 0.325 120.063 119.800 -0.104 0.000 2.359 346 Q HA 0.378 4.719 4.340 0.001 0.000 0.274 346 Q C -1.206 174.851 176.000 0.095 0.000 1.074 346 Q CA -1.031 54.775 55.803 0.005 0.000 0.810 346 Q CB 2.842 31.589 28.738 0.015 0.000 1.342 346 Q HN 0.452 nan 8.270 nan 0.000 0.427 347 L N 2.119 123.336 121.223 -0.011 0.000 2.281 347 L HA 0.414 4.755 4.340 0.001 0.000 0.285 347 L C -1.664 175.145 176.870 -0.102 0.000 1.074 347 L CA 0.314 55.177 54.840 0.039 0.000 0.817 347 L CB 0.200 42.276 42.059 0.029 0.000 1.168 347 L HN 0.538 nan 8.230 nan 0.000 0.434 348 W N 4.727 125.973 121.300 -0.090 0.000 2.719 348 W HA 0.636 5.296 4.660 0.001 0.000 0.352 348 W C -0.327 176.027 176.519 -0.275 0.000 1.085 348 W CA -0.742 56.457 57.345 -0.244 0.000 1.187 348 W CB 1.150 30.350 29.460 -0.433 0.000 1.417 348 W HN 0.346 nan 8.180 nan 0.000 0.557 349 R N 1.997 122.430 120.500 -0.111 0.000 2.360 349 R HA 0.543 4.883 4.340 0.001 0.000 0.318 349 R C -1.657 174.488 176.300 -0.259 0.000 0.950 349 R CA -0.495 55.538 56.100 -0.111 0.000 0.837 349 R CB 0.424 30.695 30.300 -0.049 0.000 1.165 349 R HN 0.364 nan 8.270 nan 0.000 0.458 350 F N 2.376 122.357 119.950 0.052 0.000 2.410 350 F HA 0.309 4.837 4.527 0.001 0.000 0.349 350 F C 0.362 176.121 175.800 -0.068 0.000 1.117 350 F CA -0.461 57.537 58.000 -0.003 0.000 1.104 350 F CB 2.170 41.149 39.000 -0.035 0.000 1.122 350 F HN 0.327 nan 8.300 nan 0.000 0.483 351 T N 5.467 120.075 114.554 0.089 0.000 2.770 351 T HA 0.582 4.933 4.350 0.001 0.000 0.297 351 T C -0.127 174.576 174.700 0.004 0.000 0.997 351 T CA -0.339 61.762 62.100 0.001 0.000 0.949 351 T CB 0.214 69.074 68.868 -0.013 0.000 0.941 351 T HN 0.293 nan 8.240 nan 0.000 0.457 352 I N 2.671 123.212 120.570 -0.047 0.000 2.441 352 I HA 0.356 4.526 4.170 0.001 0.000 0.295 352 I C -0.116 175.948 176.117 -0.089 0.000 0.994 352 I CA -0.752 60.504 61.300 -0.073 0.000 1.144 352 I CB 1.654 39.576 38.000 -0.130 0.000 1.314 352 I HN 0.425 nan 8.210 nan 0.000 0.445 353 D N 7.911 128.266 120.400 -0.075 0.000 2.460 353 D HA 0.299 4.940 4.640 0.001 0.000 0.232 353 D C -1.979 174.271 176.300 -0.084 0.000 1.079 353 D CA -2.108 51.851 54.000 -0.068 0.000 0.864 353 D CB 1.985 42.759 40.800 -0.043 0.000 1.048 353 D HN 0.137 nan 8.370 nan 0.000 0.523 354 P HA -0.062 nan 4.420 nan 0.000 0.217 354 P C 0.904 178.165 177.300 -0.064 0.000 1.150 354 P CA 0.928 63.957 63.100 -0.118 0.000 0.832 354 P CB 0.437 32.053 31.700 -0.141 0.000 0.787 355 A N 0.155 122.950 122.820 -0.042 0.000 1.855 355 A HA 0.096 4.416 4.320 0.001 0.000 0.213 355 A C 2.281 179.849 177.584 -0.028 0.000 1.195 355 A CA 1.621 53.642 52.037 -0.026 0.000 0.610 355 A CB -1.534 17.456 19.000 -0.018 0.000 0.837 355 A HN 0.163 nan 8.150 nan 0.000 0.444 356 A N -1.063 121.739 122.820 -0.030 0.000 2.168 356 A HA 0.413 4.734 4.320 0.001 0.000 0.215 356 A C 1.444 179.009 177.584 -0.032 0.000 1.152 356 A CA 1.229 53.250 52.037 -0.026 0.000 0.716 356 A CB -1.126 17.860 19.000 -0.023 0.000 0.794 356 A HN 2.083 nan 8.150 nan 0.000 0.465 357 A N -0.910 121.884 122.820 -0.043 0.000 2.362 357 A HA -0.067 4.254 4.320 0.001 0.000 0.290 357 A C 0.415 177.973 177.584 -0.044 0.000 1.441 357 A CA 1.154 53.160 52.037 -0.052 0.000 0.743 357 A CB -2.338 16.634 19.000 -0.046 0.000 1.125 357 A HN 0.734 nan 8.150 nan 0.000 0.378 358 T N -0.814 113.715 114.554 -0.043 0.000 2.896 358 T HA 0.747 5.098 4.350 0.001 0.000 0.297 358 T C -0.485 174.200 174.700 -0.025 0.000 1.108 358 T CA 0.065 62.148 62.100 -0.028 0.000 1.004 358 T CB 2.191 71.048 68.868 -0.019 0.000 1.159 358 T HN 1.783 nan 8.240 nan 0.000 0.499 359 V N 1.646 121.559 119.914 -0.001 0.000 2.817 359 V HA 0.586 4.707 4.120 0.001 0.000 0.303 359 V C -1.770 174.363 176.094 0.065 0.000 1.151 359 V CA -0.621 61.699 62.300 0.032 0.000 0.929 359 V CB 2.006 33.851 31.823 0.037 0.000 1.030 359 V HN 0.848 nan 8.190 nan 0.000 0.427 360 E N 4.826 125.068 120.200 0.071 0.000 2.235 360 E HA 0.570 4.921 4.350 0.001 0.000 0.265 360 E C -1.088 175.563 176.600 0.086 0.000 0.940 360 E CA -0.780 55.662 56.400 0.070 0.000 0.819 360 E CB 2.419 32.142 29.700 0.038 0.000 1.206 360 E HN 0.845 nan 8.360 nan 0.000 0.409 361 K N 0.429 120.871 120.400 0.070 0.000 2.328 361 K HA 0.593 4.913 4.320 0.001 0.000 0.246 361 K C -0.503 176.156 176.600 0.098 0.000 0.955 361 K CA -0.899 55.394 56.287 0.009 0.000 0.817 361 K CB 1.984 34.421 32.500 -0.105 0.000 1.208 361 K HN 0.258 nan 8.250 nan 0.000 0.432 362 Q N 1.500 121.341 119.800 0.068 0.000 2.305 362 Q HA 0.279 4.619 4.340 0.001 0.000 0.271 362 Q C -1.608 174.270 176.000 -0.204 0.000 1.046 362 Q CA -1.203 54.586 55.803 -0.022 0.000 0.798 362 Q CB 2.450 31.141 28.738 -0.077 0.000 1.286 362 Q HN 0.532 nan 8.270 nan 0.000 0.435 363 L N 3.156 124.006 121.223 -0.622 0.000 2.313 363 L HA 0.198 4.539 4.340 0.001 0.000 0.282 363 L C 0.416 176.961 176.870 -0.541 0.000 1.092 363 L CA 0.624 54.803 54.840 -1.101 0.000 0.831 363 L CB 0.471 41.654 42.059 -1.461 0.000 1.159 363 L HN 0.827 nan 8.230 nan 0.000 0.442 364 M N 4.182 123.529 119.600 -0.422 0.000 2.556 364 M HA 0.208 4.689 4.480 0.001 0.000 0.264 364 M C -0.041 176.130 176.300 -0.214 0.000 1.163 364 M CA 0.606 55.759 55.300 -0.244 0.000 1.186 364 M CB 0.093 32.599 32.600 -0.157 0.000 1.321 364 M HN 0.346 nan 8.290 nan 0.000 0.485 365 V N 1.531 121.308 119.914 -0.229 0.000 2.443 365 V HA 0.203 4.323 4.120 0.001 0.000 0.293 365 V C 0.796 176.782 176.094 -0.180 0.000 1.021 365 V CA -0.341 61.867 62.300 -0.154 0.000 0.848 365 V CB 1.531 33.307 31.823 -0.078 0.000 0.998 365 V HN 0.410 nan 8.190 nan 0.000 0.424 366 S N 3.305 118.914 115.700 -0.152 0.000 2.503 366 S HA 0.099 4.569 4.470 0.001 0.000 0.217 366 S C 0.977 175.545 174.600 -0.052 0.000 0.999 366 S CA -0.141 57.983 58.200 -0.127 0.000 0.914 366 S CB 0.058 63.184 63.200 -0.123 0.000 0.782 366 S HN 0.687 nan 8.310 nan 0.000 0.520 367 R N 1.317 121.795 120.500 -0.038 0.000 2.585 367 R HA 0.093 4.434 4.340 0.001 0.000 0.275 367 R C -0.051 176.259 176.300 0.016 0.000 1.018 367 R CA -0.102 55.997 56.100 -0.001 0.000 1.072 367 R CB -0.094 30.207 30.300 0.002 0.000 0.953 367 R HN 0.434 nan 8.270 nan 0.000 0.419 368 C N 7.150 126.476 119.300 0.043 0.000 2.519 368 C HA 0.191 4.652 4.460 0.001 0.000 0.402 368 C C 0.489 175.521 174.990 0.070 0.000 1.475 368 C CA -0.526 58.528 59.018 0.060 0.000 1.504 368 C CB -2.284 25.509 27.740 0.089 0.000 2.454 368 C HN 0.775 nan 8.230 nan 0.000 0.615 369 C N 6.164 125.504 119.300 0.067 0.000 3.241 369 C HA 0.969 5.430 4.460 0.001 0.000 0.312 369 C C -0.885 174.178 174.990 0.121 0.000 1.350 369 C CA -0.549 58.533 59.018 0.106 0.000 1.415 369 C CB 1.815 29.614 27.740 0.098 0.000 1.770 369 C HN 0.879 nan 8.230 nan 0.000 0.466 370 E N -0.764 119.540 120.200 0.173 0.000 2.449 370 E HA 0.515 4.866 4.350 0.001 0.000 0.278 370 E C -1.163 175.603 176.600 0.276 0.000 1.059 370 E CA -0.513 55.967 56.400 0.134 0.000 0.854 370 E CB 1.234 30.883 29.700 -0.086 0.000 1.465 370 E HN 0.886 nan 8.360 nan 0.000 0.462 371 F N -0.999 119.106 119.950 0.259 0.000 2.985 371 F HA -0.157 4.371 4.527 0.002 0.000 0.303 371 F C -2.119 173.796 175.800 0.193 0.000 0.976 371 F CA 0.256 58.363 58.000 0.177 0.000 1.013 371 F CB -1.686 37.415 39.000 0.169 0.000 1.060 371 F HN 0.045 nan 8.300 nan 0.000 0.780 372 P HA 0.415 nan 4.420 nan 0.000 0.271 372 P C -0.164 177.302 177.300 0.277 0.000 1.216 372 P CA 0.076 63.347 63.100 0.285 0.000 0.776 372 P CB 2.245 34.089 31.700 0.240 0.000 0.881 373 V N 3.389 123.486 119.914 0.304 0.000 2.971 373 V HA 0.437 4.558 4.120 0.001 0.000 0.309 373 V C -0.275 176.025 176.094 0.344 0.000 1.130 373 V CA -0.750 61.733 62.300 0.304 0.000 0.964 373 V CB 2.902 34.917 31.823 0.321 0.000 1.029 373 V HN 0.304 nan 8.190 nan 0.000 0.427 374 V N 2.542 122.592 119.914 0.227 0.000 3.007 374 V HA 0.462 4.583 4.120 0.001 0.000 0.311 374 V C -0.500 175.623 176.094 0.049 0.000 1.120 374 V CA -0.825 61.560 62.300 0.143 0.000 0.980 374 V CB 2.186 33.981 31.823 -0.047 0.000 1.033 374 V HN 0.942 nan 8.190 nan 0.000 0.429 375 H N 6.509 125.442 119.070 -0.228 0.000 3.157 375 H HA 0.057 4.614 4.556 0.001 0.000 0.299 375 H C -1.662 173.652 175.328 -0.023 0.000 0.961 375 H CA -0.928 54.923 56.048 -0.328 0.000 1.428 375 H CB 1.640 31.189 29.762 -0.354 0.000 1.459 375 H HN 0.336 nan 8.280 nan 0.000 0.566 376 P HA -0.183 nan 4.420 nan 0.000 0.218 376 P C 1.057 178.513 177.300 0.260 0.000 1.146 376 P CA 1.193 64.433 63.100 0.233 0.000 0.813 376 P CB 0.406 32.248 31.700 0.238 0.000 0.778 377 Q N -1.026 119.039 119.800 0.441 0.000 2.432 377 Q HA -0.007 4.334 4.340 0.001 0.000 0.205 377 Q C 1.706 177.744 176.000 0.063 0.000 0.945 377 Q CA 0.820 56.750 55.803 0.211 0.000 0.924 377 Q CB 0.019 28.857 28.738 0.167 0.000 1.016 377 Q HN 0.435 nan 8.270 nan 0.000 0.503 378 Q N -0.013 119.821 119.800 0.057 0.000 2.319 378 Q HA 0.109 4.450 4.340 0.001 0.000 0.202 378 Q C 0.244 176.191 176.000 -0.088 0.000 0.896 378 Q CA -0.056 55.724 55.803 -0.037 0.000 0.942 378 Q CB 0.550 29.273 28.738 -0.025 0.000 1.083 378 Q HN 0.076 nan 8.270 nan 0.000 0.510 379 V N 1.643 121.527 119.914 -0.050 0.000 2.452 379 V HA 0.134 4.254 4.120 0.001 0.000 0.286 379 V C 1.373 177.418 176.094 -0.083 0.000 0.995 379 V CA 1.371 63.614 62.300 -0.094 0.000 1.116 379 V CB -0.185 31.602 31.823 -0.059 0.000 0.954 379 V HN 0.675 nan 8.190 nan 0.000 0.473 380 G N 4.358 113.103 108.800 -0.092 0.000 2.157 380 G HA2 -0.188 3.773 3.960 0.001 0.000 0.248 380 G HA3 -0.188 3.773 3.960 0.001 0.000 0.248 380 G C 0.145 175.080 174.900 0.058 0.000 0.979 380 G CA -0.213 44.873 45.100 -0.023 0.000 0.650 380 G HN 0.550 nan 8.290 nan 0.000 0.529 381 R N -0.276 120.232 120.500 0.013 0.000 2.854 381 R HA 0.592 4.933 4.340 0.001 0.000 0.271 381 R C -2.816 173.360 176.300 -0.207 0.000 0.996 381 R CA -2.752 53.332 56.100 -0.026 0.000 0.961 381 R CB 0.303 30.562 30.300 -0.068 0.000 1.182 381 R HN -0.008 nan 8.270 nan 0.000 0.479 382 P HA -0.010 nan 4.420 nan 0.000 0.264 382 P C -1.110 175.917 177.300 -0.454 0.000 1.183 382 P CA 0.594 63.069 63.100 -1.042 0.000 0.763 382 P CB 0.056 31.398 31.700 -0.597 0.000 0.807 383 Y N 0.596 120.482 120.300 -0.691 0.000 2.670 383 Y HA 0.623 5.173 4.550 0.001 0.000 0.334 383 Y C 0.501 176.189 175.900 -0.353 0.000 1.185 383 Y CA -1.128 56.744 58.100 -0.381 0.000 1.053 383 Y CB 1.535 39.855 38.460 -0.234 0.000 1.298 383 Y HN 0.155 nan 8.280 nan 0.000 0.459 384 R N -0.269 119.908 120.500 -0.538 0.000 2.412 384 R HA 0.317 4.657 4.340 0.001 0.000 0.212 384 R C -1.328 174.462 176.300 -0.849 0.000 0.878 384 R CA 0.086 55.708 56.100 -0.797 0.000 1.022 384 R CB 0.621 30.365 30.300 -0.926 0.000 1.265 384 R HN 0.701 nan 8.270 nan 0.000 0.620 385 Y N -0.452 119.710 120.300 -0.230 0.000 2.425 385 Y HA 0.546 5.097 4.550 0.002 0.000 0.344 385 Y C -0.746 175.040 175.900 -0.191 0.000 0.969 385 Y CA -1.083 56.857 58.100 -0.266 0.000 1.052 385 Y CB 2.229 40.525 38.460 -0.274 0.000 1.215 385 Y HN -0.290 nan 8.280 nan 0.000 0.451 386 V N 4.432 124.237 119.914 -0.182 0.000 2.789 386 V HA 0.614 4.735 4.120 0.001 0.000 0.311 386 V C -1.888 173.979 176.094 -0.378 0.000 1.073 386 V CA -0.948 61.289 62.300 -0.104 0.000 0.921 386 V CB 1.612 33.539 31.823 0.173 0.000 1.009 386 V HN 0.659 nan 8.190 nan 0.000 0.426 387 Y N 5.790 126.202 120.300 0.187 0.000 2.429 387 Y HA 0.817 5.368 4.550 0.002 0.000 0.342 387 Y C 0.241 176.256 175.900 0.191 0.000 1.004 387 Y CA -0.747 57.457 58.100 0.172 0.000 1.075 387 Y CB 2.112 40.677 38.460 0.174 0.000 1.214 387 Y HN 0.481 nan 8.280 nan 0.000 0.455 388 M N 0.984 120.774 119.600 0.317 0.000 2.575 388 M HA 0.544 5.025 4.480 0.001 0.000 0.284 388 M C -0.010 176.462 176.300 0.286 0.000 1.253 388 M CA -0.858 54.618 55.300 0.294 0.000 0.861 388 M CB 2.569 35.306 32.600 0.229 0.000 1.733 388 M HN 0.869 nan 8.290 nan 0.000 0.462 389 G N 0.846 109.850 108.800 0.341 0.000 2.483 389 G HA2 0.668 4.629 3.960 0.001 0.000 0.248 389 G HA3 0.668 4.629 3.960 0.001 0.000 0.248 389 G C -1.095 173.956 174.900 0.252 0.000 1.248 389 G CA -0.181 45.112 45.100 0.322 0.000 0.838 389 G HN 0.838 nan 8.290 nan 0.000 0.566 390 A N 0.368 123.306 122.820 0.197 0.000 2.606 390 A HA 0.877 5.198 4.320 0.001 0.000 0.293 390 A C 0.071 177.717 177.584 0.104 0.000 1.082 390 A CA -0.073 52.048 52.037 0.139 0.000 0.685 390 A CB 1.059 20.127 19.000 0.113 0.000 1.284 390 A HN 1.979 nan 8.150 nan 0.000 0.408 391 A N -0.404 122.458 122.820 0.070 0.000 2.366 391 A HA 0.462 4.782 4.320 0.001 0.000 0.249 391 A C 0.820 178.432 177.584 0.048 0.000 1.084 391 A CA 0.716 52.774 52.037 0.035 0.000 0.794 391 A CB -0.185 18.837 19.000 0.035 0.000 1.034 391 A HN 1.465 nan 8.150 nan 0.000 0.491 392 H N 0.580 119.597 119.070 -0.088 0.000 2.307 392 H HA -0.038 4.518 4.556 0.001 0.000 0.303 392 H C 0.398 175.716 175.328 -0.018 0.000 1.073 392 H CA 1.772 57.756 56.048 -0.106 0.000 1.338 392 H CB -0.137 29.492 29.762 -0.222 0.000 1.389 392 H HN 0.716 nan 8.280 nan 0.000 0.503 393 H N 0.047 119.098 119.070 -0.031 0.000 2.732 393 H HA 0.033 4.590 4.556 0.001 0.000 0.351 393 H C 1.582 176.875 175.328 -0.058 0.000 1.090 393 H CA 0.565 56.572 56.048 -0.068 0.000 1.431 393 H CB 1.152 30.937 29.762 0.038 0.000 1.447 393 H HN 0.487 nan 8.280 nan 0.000 0.582 394 S N 0.813 116.546 115.700 0.055 0.000 2.515 394 S HA -0.091 4.379 4.470 0.001 0.000 0.231 394 S C 1.394 176.009 174.600 0.024 0.000 0.987 394 S CA 1.296 59.502 58.200 0.009 0.000 0.936 394 S CB 0.123 63.308 63.200 -0.025 0.000 0.766 394 S HN 0.583 nan 8.310 nan 0.000 0.528 395 T N 0.224 114.811 114.554 0.055 0.000 3.138 395 T HA 0.429 4.780 4.350 0.001 0.000 0.245 395 T C 1.188 175.934 174.700 0.077 0.000 0.982 395 T CA 0.486 62.611 62.100 0.042 0.000 1.134 395 T CB -0.098 68.773 68.868 0.005 0.000 1.032 395 T HN 0.527 nan 8.240 nan 0.000 0.442 396 G N 1.144 110.018 108.800 0.123 0.000 2.975 396 G HA2 0.427 4.387 3.960 0.001 0.000 0.159 396 G HA3 0.427 4.387 3.960 0.001 0.000 0.159 396 G C -0.499 174.487 174.900 0.145 0.000 1.525 396 G CA -0.277 44.901 45.100 0.131 0.000 1.075 396 G HN 0.386 nan 8.290 nan 0.000 0.574 397 N N -0.958 117.848 118.700 0.177 0.000 2.284 397 N HA 0.639 5.380 4.740 0.001 0.000 0.300 397 N C -0.688 174.946 175.510 0.205 0.000 1.047 397 N CA 0.070 53.243 53.050 0.205 0.000 0.821 397 N CB 1.935 40.568 38.487 0.244 0.000 1.337 397 N HN 0.795 nan 8.380 nan 0.000 0.482 398 A N 2.844 125.703 122.820 0.065 0.000 2.601 398 A HA 0.615 4.936 4.320 0.001 0.000 0.291 398 A C -2.946 174.187 177.584 -0.753 0.000 1.075 398 A CA -1.073 50.730 52.037 -0.391 0.000 0.671 398 A CB 0.607 19.487 19.000 -0.200 0.000 1.277 398 A HN 0.547 nan 8.150 nan 0.000 0.417 399 P HA 0.263 nan 4.420 nan 0.000 0.266 399 P C -0.563 176.540 177.300 -0.327 0.000 1.195 399 P CA 0.153 62.698 63.100 -0.925 0.000 0.768 399 P CB 0.183 31.294 31.700 -0.982 0.000 0.838 400 L N 3.303 124.494 121.223 -0.053 0.000 2.513 400 L HA -0.002 4.339 4.340 0.001 0.000 0.272 400 L C 1.360 178.268 176.870 0.063 0.000 1.187 400 L CA 0.773 55.653 54.840 0.066 0.000 0.895 400 L CB -0.316 41.864 42.059 0.202 0.000 1.147 400 L HN 0.480 nan 8.230 nan 0.000 0.483 401 Q N 2.427 122.242 119.800 0.024 0.000 2.140 401 Q HA 0.397 4.738 4.340 0.001 0.000 0.227 401 Q C -0.275 175.823 176.000 0.163 0.000 0.798 401 Q CA -0.189 55.602 55.803 -0.021 0.000 0.987 401 Q CB 1.713 30.328 28.738 -0.205 0.000 1.161 401 Q HN 0.815 nan 8.270 nan 0.000 0.480 402 A N 0.538 123.481 122.820 0.204 0.000 2.566 402 A HA 0.684 5.005 4.320 0.001 0.000 0.292 402 A C -1.395 176.345 177.584 0.260 0.000 1.112 402 A CA -0.572 51.612 52.037 0.246 0.000 0.707 402 A CB 1.377 20.454 19.000 0.130 0.000 1.302 402 A HN 0.085 nan 8.150 nan 0.000 0.409 403 I N 1.084 121.819 120.570 0.274 0.000 2.412 403 I HA 0.535 4.706 4.170 0.001 0.000 0.296 403 I C -0.771 175.455 176.117 0.182 0.000 0.987 403 I CA -0.524 60.921 61.300 0.243 0.000 1.180 403 I CB 1.274 39.438 38.000 0.274 0.000 1.340 403 I HN 0.612 nan 8.210 nan 0.000 0.455 404 L N 6.700 128.036 121.223 0.188 0.000 2.385 404 L HA 0.523 4.863 4.340 0.001 0.000 0.273 404 L C -0.656 176.304 176.870 0.149 0.000 0.990 404 L CA -0.363 54.559 54.840 0.137 0.000 0.821 404 L CB 1.520 43.643 42.059 0.107 0.000 1.279 404 L HN 0.588 nan 8.230 nan 0.000 0.412 405 K N 4.174 124.635 120.400 0.102 0.000 2.182 405 K HA 0.764 5.085 4.320 0.001 0.000 0.262 405 K C -1.799 174.790 176.600 -0.019 0.000 0.957 405 K CA -0.680 55.621 56.287 0.023 0.000 0.842 405 K CB 1.704 34.247 32.500 0.070 0.000 1.099 405 K HN 0.565 nan 8.250 nan 0.000 0.438 406 V N 3.352 123.224 119.914 -0.071 0.000 2.531 406 V HA 0.153 4.274 4.120 0.001 0.000 0.301 406 V C -0.759 175.335 176.094 0.001 0.000 1.034 406 V CA -0.934 61.345 62.300 -0.035 0.000 0.865 406 V CB 1.638 33.431 31.823 -0.048 0.000 0.995 406 V HN 0.803 nan 8.190 nan 0.000 0.424 407 D N 4.166 124.574 120.400 0.014 0.000 2.428 407 D HA 0.295 4.935 4.640 0.001 0.000 0.221 407 D C 0.927 177.117 176.300 -0.182 0.000 1.123 407 D CA -0.158 53.808 54.000 -0.056 0.000 0.869 407 D CB 1.378 42.200 40.800 0.036 0.000 1.032 407 D HN 0.473 nan 8.370 nan 0.000 0.506 408 L N 2.586 123.630 121.223 -0.300 0.000 2.362 408 L HA -0.078 4.263 4.340 0.001 0.000 0.219 408 L C 2.052 178.776 176.870 -0.243 0.000 1.134 408 L CA 0.753 55.425 54.840 -0.280 0.000 0.807 408 L CB 0.025 41.846 42.059 -0.398 0.000 0.927 408 L HN 0.398 nan 8.230 nan 0.000 0.447 409 E N -0.099 119.937 120.200 -0.273 0.000 2.021 409 E HA -0.146 4.205 4.350 0.001 0.000 0.189 409 E C 2.297 178.814 176.600 -0.139 0.000 0.980 409 E CA 1.416 57.693 56.400 -0.204 0.000 0.803 409 E CB 0.025 29.588 29.700 -0.228 0.000 0.766 409 E HN 0.433 nan 8.360 nan 0.000 0.449 410 S N -0.850 114.776 115.700 -0.123 0.000 2.489 410 S HA 0.064 4.535 4.470 0.001 0.000 0.228 410 S C 1.738 176.294 174.600 -0.073 0.000 0.995 410 S CA 0.704 58.856 58.200 -0.080 0.000 0.934 410 S CB 0.359 63.527 63.200 -0.053 0.000 0.771 410 S HN 0.444 nan 8.310 nan 0.000 0.522 411 G N 0.554 109.302 108.800 -0.087 0.000 2.179 411 G HA2 -0.254 3.706 3.960 0.001 0.000 0.260 411 G HA3 -0.254 3.706 3.960 0.001 0.000 0.260 411 G C 0.215 175.081 174.900 -0.058 0.000 0.977 411 G CA 0.364 45.417 45.100 -0.077 0.000 0.641 411 G HN 0.651 nan 8.290 nan 0.000 0.533 412 T N 1.771 116.300 114.554 -0.041 0.000 2.888 412 T HA 0.437 4.788 4.350 0.001 0.000 0.301 412 T C 0.210 174.902 174.700 -0.014 0.000 1.001 412 T CA 0.505 62.592 62.100 -0.021 0.000 1.147 412 T CB 1.097 69.964 68.868 -0.002 0.000 0.931 412 T HN 0.438 nan 8.240 nan 0.000 0.541 413 E N 1.871 122.061 120.200 -0.017 0.000 2.183 413 E HA 0.484 4.834 4.350 0.001 0.000 0.271 413 E C -0.398 176.201 176.600 -0.003 0.000 0.919 413 E CA -0.870 55.523 56.400 -0.011 0.000 0.781 413 E CB 1.560 31.248 29.700 -0.021 0.000 1.140 413 E HN 0.657 nan 8.360 nan 0.000 0.402 414 T N 0.391 114.950 114.554 0.010 0.000 2.876 414 T HA 0.632 4.983 4.350 0.001 0.000 0.289 414 T C -0.776 173.936 174.700 0.021 0.000 1.014 414 T CA -0.832 61.275 62.100 0.011 0.000 0.986 414 T CB 1.328 70.206 68.868 0.016 0.000 1.021 414 T HN 0.227 nan 8.240 nan 0.000 0.458 415 L N 1.743 122.968 121.223 0.004 0.000 2.386 415 L HA 0.837 5.178 4.340 0.001 0.000 0.271 415 L C -0.758 176.098 176.870 -0.024 0.000 0.993 415 L CA -0.828 54.014 54.840 0.003 0.000 0.819 415 L CB 2.069 44.117 42.059 -0.018 0.000 1.294 415 L HN 0.740 nan 8.230 nan 0.000 0.414 416 R N 2.931 123.414 120.500 -0.029 0.000 2.358 416 R HA 0.528 4.869 4.340 0.001 0.000 0.309 416 R C -1.240 174.917 176.300 -0.238 0.000 1.026 416 R CA -0.163 55.851 56.100 -0.144 0.000 0.909 416 R CB 1.147 31.385 30.300 -0.104 0.000 1.153 416 R HN 0.630 nan 8.270 nan 0.000 0.515 417 S N 3.261 118.813 115.700 -0.246 0.000 2.586 417 S HA 0.399 4.870 4.470 0.001 0.000 0.274 417 S C -0.086 174.222 174.600 -0.487 0.000 1.281 417 S CA -0.464 57.638 58.200 -0.164 0.000 1.035 417 S CB 0.339 63.612 63.200 0.121 0.000 0.962 417 S HN 0.579 nan 8.310 nan 0.000 0.512 418 F N 2.116 122.043 119.950 -0.038 0.000 2.661 418 F HA 0.426 4.953 4.527 -0.000 0.000 0.306 418 F C 1.284 176.973 175.800 -0.184 0.000 1.094 418 F CA -0.272 57.678 58.000 -0.083 0.000 1.254 418 F CB -0.236 38.729 39.000 -0.058 0.000 1.040 418 F HN 0.616 nan 8.300 nan 0.000 0.562 419 A N 1.719 124.442 122.820 -0.161 0.000 2.507 419 A HA 0.241 4.562 4.320 0.001 0.000 0.235 419 A C -1.179 176.220 177.584 -0.309 0.000 1.070 419 A CA -0.646 51.170 52.037 -0.368 0.000 0.768 419 A CB -0.230 18.357 19.000 -0.690 0.000 1.011 419 A HN 0.134 nan 8.150 nan 0.000 0.502 420 P HA 0.095 nan 4.420 nan 0.000 0.245 420 P C 0.450 177.503 177.300 -0.412 0.000 1.199 420 P CA 1.151 63.992 63.100 -0.431 0.000 0.807 420 P CB 0.046 31.471 31.700 -0.458 0.000 1.002 421 H N -0.888 118.137 119.070 -0.075 0.000 2.563 421 H HA 0.307 4.863 4.556 0.001 0.000 0.264 421 H C 1.284 176.623 175.328 0.020 0.000 0.957 421 H CA 0.175 56.250 56.048 0.044 0.000 1.173 421 H CB 0.044 29.832 29.762 0.043 0.000 1.420 421 H HN 0.109 nan 8.280 nan 0.000 0.551 422 G N -0.201 108.561 108.800 -0.062 0.000 2.400 422 G HA2 0.456 4.417 3.960 0.001 0.000 0.301 422 G HA3 0.456 4.417 3.960 0.001 0.000 0.301 422 G C -1.119 173.553 174.900 -0.380 0.000 1.154 422 G CA -0.313 44.769 45.100 -0.030 0.000 0.852 422 G HN 0.112 nan 8.290 nan 0.000 0.511 423 F N 0.291 120.356 119.950 0.192 0.000 2.574 423 F HA 0.628 5.156 4.527 0.001 0.000 0.313 423 F C 0.443 176.345 175.800 0.170 0.000 1.130 423 F CA -0.673 57.467 58.000 0.233 0.000 0.936 423 F CB 2.368 41.635 39.000 0.445 0.000 1.219 423 F HN 0.717 nan 8.300 nan 0.000 0.445 424 A N 1.392 124.361 122.820 0.250 0.000 2.288 424 A HA 0.981 5.302 4.320 0.001 0.000 0.328 424 A C -0.024 177.667 177.584 0.179 0.000 1.123 424 A CA 0.009 52.136 52.037 0.150 0.000 0.861 424 A CB 1.157 20.249 19.000 0.154 0.000 1.272 424 A HN 0.951 nan 8.150 nan 0.000 0.490 425 G N -1.071 107.775 108.800 0.078 0.000 3.253 425 G HA2 0.480 4.440 3.960 0.001 0.000 0.175 425 G HA3 0.480 4.440 3.960 0.001 0.000 0.175 425 G C -0.801 173.977 174.900 -0.202 0.000 1.098 425 G CA -0.123 44.926 45.100 -0.084 0.000 0.790 425 G HN 0.794 nan 8.290 nan 0.000 0.648 426 E N 2.181 122.071 120.200 -0.517 0.000 2.152 426 E HA 0.349 4.700 4.350 0.001 0.000 0.285 426 E C -2.162 174.412 176.600 -0.043 0.000 1.043 426 E CA -1.871 54.338 56.400 -0.318 0.000 0.839 426 E CB 1.259 30.664 29.700 -0.491 0.000 1.069 426 E HN 0.106 nan 8.360 nan 0.000 0.399 427 P HA 0.103 nan 4.420 nan 0.000 0.271 427 P C -0.558 176.792 177.300 0.083 0.000 1.218 427 P CA -0.076 63.070 63.100 0.076 0.000 0.780 427 P CB 0.846 32.636 31.700 0.149 0.000 0.901 428 I N 3.090 123.674 120.570 0.024 0.000 2.436 428 I HA 0.264 4.435 4.170 0.001 0.000 0.289 428 I C -0.045 176.048 176.117 -0.040 0.000 1.010 428 I CA -0.829 60.505 61.300 0.057 0.000 1.098 428 I CB 1.139 39.195 38.000 0.093 0.000 1.266 428 I HN 0.305 nan 8.210 nan 0.000 0.434 429 F N 7.243 127.110 119.950 -0.139 0.000 2.420 429 F HA 0.388 4.917 4.527 0.004 0.000 0.352 429 F C -0.219 175.429 175.800 -0.253 0.000 1.108 429 F CA -0.195 57.650 58.000 -0.259 0.000 1.162 429 F CB 0.933 39.789 39.000 -0.240 0.000 1.118 429 F HN 0.112 nan 8.300 nan 0.000 0.510 430 V N 8.610 127.971 119.914 -0.922 0.000 2.357 430 V HA 0.323 4.444 4.120 0.001 0.000 0.284 430 V C -2.129 173.480 176.094 -0.810 0.000 1.018 430 V CA -2.068 59.705 62.300 -0.879 0.000 0.841 430 V CB 1.205 32.333 31.823 -1.159 0.000 0.991 430 V HN 0.631 nan 8.190 nan 0.000 0.437 431 P HA 0.118 nan 4.420 nan 0.000 0.268 431 P C -0.400 176.801 177.300 -0.165 0.000 1.205 431 P CA -0.246 62.721 63.100 -0.223 0.000 0.771 431 P CB 0.484 32.227 31.700 0.071 0.000 0.858 432 R N 4.684 124.944 120.500 -0.401 0.000 2.267 432 R HA 0.254 4.595 4.340 0.001 0.000 0.319 432 R C -2.239 174.037 176.300 -0.042 0.000 1.067 432 R CA -1.802 54.050 56.100 -0.413 0.000 0.936 432 R CB -0.221 29.630 30.300 -0.747 0.000 1.006 432 R HN 0.337 nan 8.270 nan 0.000 0.452 433 P HA 0.057 nan 4.420 nan 0.000 0.263 433 P C 0.051 177.395 177.300 0.073 0.000 1.195 433 P CA 0.728 63.897 63.100 0.115 0.000 0.762 433 P CB 0.919 32.709 31.700 0.150 0.000 0.799 434 G N 2.176 111.017 108.800 0.068 0.000 2.137 434 G HA2 -0.120 3.840 3.960 0.001 0.000 0.237 434 G HA3 -0.120 3.840 3.960 0.001 0.000 0.237 434 G C 0.508 175.425 174.900 0.028 0.000 1.002 434 G CA -0.338 44.791 45.100 0.047 0.000 0.702 434 G HN 0.873 nan 8.290 nan 0.000 0.515 435 G N -1.361 107.458 108.800 0.032 0.000 2.448 435 G HA2 0.678 4.639 3.960 0.001 0.000 0.285 435 G HA3 0.678 4.639 3.960 0.001 0.000 0.285 435 G C 1.090 176.015 174.900 0.042 0.000 1.176 435 G CA 0.486 45.597 45.100 0.018 0.000 0.852 435 G HN 1.260 nan 8.290 nan 0.000 0.530 436 V N -0.794 119.137 119.914 0.027 0.000 2.948 436 V HA 0.580 4.701 4.120 0.001 0.000 0.234 436 V C 1.550 177.660 176.094 0.027 0.000 1.205 436 V CA 0.828 63.142 62.300 0.023 0.000 1.234 436 V CB -1.026 30.804 31.823 0.012 0.000 1.020 436 V HN 0.966 nan 8.190 nan 0.000 0.491 437 A N 1.021 123.864 122.820 0.038 0.000 2.483 437 A HA 0.152 4.473 4.320 0.001 0.000 0.238 437 A C 1.369 179.017 177.584 0.107 0.000 1.070 437 A CA 0.680 52.757 52.037 0.067 0.000 0.770 437 A CB 0.059 19.098 19.000 0.064 0.000 1.008 437 A HN 0.628 nan 8.150 nan 0.000 0.497 438 E N 0.592 120.877 120.200 0.142 0.000 2.153 438 E HA -0.216 4.135 4.350 0.001 0.000 0.194 438 E C 0.385 177.158 176.600 0.289 0.000 0.988 438 E CA 1.507 57.994 56.400 0.145 0.000 0.811 438 E CB 0.030 29.827 29.700 0.162 0.000 0.746 438 E HN 0.822 nan 8.360 nan 0.000 0.466 439 D N -0.020 120.509 120.400 0.215 0.000 2.358 439 D HA -0.057 4.583 4.640 0.001 0.000 0.224 439 D C -0.116 176.288 176.300 0.173 0.000 1.123 439 D CA -0.144 53.947 54.000 0.152 0.000 0.833 439 D CB -0.148 40.438 40.800 -0.356 0.000 0.946 439 D HN -0.072 nan 8.370 nan 0.000 0.505 440 D N 0.727 121.221 120.400 0.156 0.000 2.508 440 D HA 0.403 5.044 4.640 0.001 0.000 0.224 440 D C 0.175 176.373 176.300 -0.169 0.000 1.171 440 D CA 0.094 54.069 54.000 -0.041 0.000 1.006 440 D CB -0.090 40.684 40.800 -0.043 0.000 1.073 440 D HN 0.321 nan 8.370 nan 0.000 0.513 441 G N 1.674 110.200 108.800 -0.457 0.000 2.554 441 G HA2 0.382 4.343 3.960 0.001 0.000 0.306 441 G HA3 0.382 4.343 3.960 0.001 0.000 0.306 441 G C -1.437 172.788 174.900 -1.125 0.000 1.320 441 G CA -0.827 43.635 45.100 -1.063 0.000 0.800 441 G HN 0.177 nan 8.290 nan 0.000 0.481 442 W N -0.051 120.752 121.300 -0.829 0.000 2.706 442 W HA 0.634 5.294 4.660 0.000 0.000 0.346 442 W C -0.792 175.299 176.519 -0.714 0.000 1.071 442 W CA -0.769 56.195 57.345 -0.635 0.000 1.206 442 W CB 1.941 31.070 29.460 -0.551 0.000 1.413 442 W HN 0.198 nan 8.180 nan 0.000 0.542 443 L N 3.574 124.656 121.223 -0.236 0.000 2.265 443 L HA 0.388 4.729 4.340 0.001 0.000 0.289 443 L C -0.335 176.419 176.870 -0.194 0.000 1.033 443 L CA -0.788 53.910 54.840 -0.237 0.000 0.814 443 L CB 0.864 42.823 42.059 -0.166 0.000 1.203 443 L HN 0.175 nan 8.230 nan 0.000 0.423 444 L N 3.844 124.924 121.223 -0.239 0.000 2.255 444 L HA 0.386 4.727 4.340 0.001 0.000 0.289 444 L C -0.710 176.061 176.870 -0.164 0.000 1.046 444 L CA -0.374 54.317 54.840 -0.248 0.000 0.816 444 L CB 1.024 42.887 42.059 -0.327 0.000 1.197 444 L HN 0.597 nan 8.230 nan 0.000 0.427 445 C N 4.640 123.844 119.300 -0.159 0.000 2.316 445 C HA 0.368 4.829 4.460 0.001 0.000 0.324 445 C C 0.203 175.084 174.990 -0.182 0.000 1.226 445 C CA -0.816 58.126 59.018 -0.127 0.000 1.450 445 C CB 0.932 28.626 27.740 -0.077 0.000 2.123 445 C HN 0.573 nan 8.230 nan 0.000 0.454 446 L N 5.865 127.004 121.223 -0.140 0.000 2.385 446 L HA 0.429 4.769 4.340 0.001 0.000 0.281 446 L C -0.341 176.466 176.870 -0.104 0.000 1.106 446 L CA 0.718 55.492 54.840 -0.109 0.000 0.856 446 L CB -0.209 41.841 42.059 -0.015 0.000 1.186 446 L HN 0.459 nan 8.230 nan 0.000 0.453 447 I N 5.763 126.232 120.570 -0.168 0.000 2.404 447 I HA 0.181 4.352 4.170 0.001 0.000 0.293 447 I C -0.563 175.554 176.117 0.000 0.000 0.992 447 I CA -0.701 60.490 61.300 -0.182 0.000 1.149 447 I CB 1.227 38.889 38.000 -0.564 0.000 1.315 447 I HN 0.501 nan 8.210 nan 0.000 0.446 448 Y N 6.857 127.195 120.300 0.063 0.000 2.320 448 Y HA 0.374 4.925 4.550 0.001 0.000 0.334 448 Y C -0.341 175.690 175.900 0.218 0.000 1.055 448 Y CA -0.551 57.622 58.100 0.122 0.000 1.143 448 Y CB 0.860 39.418 38.460 0.164 0.000 1.193 448 Y HN 0.332 nan 8.280 nan 0.000 0.477 449 K N 6.105 126.046 120.400 -0.764 0.000 2.389 449 K HA 0.440 4.761 4.320 0.001 0.000 0.261 449 K C 0.306 176.467 176.600 -0.732 0.000 1.014 449 K CA -0.017 55.965 56.287 -0.507 0.000 0.920 449 K CB 1.594 33.955 32.500 -0.231 0.000 1.149 449 K HN 0.863 nan 8.250 nan 0.000 0.444 450 A N 2.653 125.246 122.820 -0.379 0.000 2.067 450 A HA -0.172 4.148 4.320 0.001 0.000 0.219 450 A C 1.514 179.086 177.584 -0.021 0.000 1.158 450 A CA 1.586 53.580 52.037 -0.072 0.000 0.661 450 A CB -0.173 19.059 19.000 0.387 0.000 0.801 450 A HN 0.719 nan 8.150 nan 0.000 0.452 451 D N 0.423 120.757 120.400 -0.111 0.000 2.123 451 D HA -0.055 4.586 4.640 0.001 0.000 0.200 451 D C 1.416 177.631 176.300 -0.141 0.000 0.976 451 D CA 0.820 54.669 54.000 -0.252 0.000 0.831 451 D CB -0.658 39.783 40.800 -0.597 0.000 0.974 451 D HN 0.460 nan 8.370 nan 0.000 0.469 452 L N -1.069 120.084 121.223 -0.118 0.000 2.606 452 L HA 0.232 4.572 4.340 0.001 0.000 0.148 452 L C 1.179 178.067 176.870 0.030 0.000 1.534 452 L CA -0.129 54.678 54.840 -0.055 0.000 2.847 452 L CB -0.318 41.695 42.059 -0.076 0.000 2.929 452 L HN 0.193 nan 8.230 nan 0.000 0.814 453 H N -0.270 118.743 119.070 -0.094 0.000 3.410 453 H HA 0.344 4.901 4.556 0.002 0.000 0.245 453 H C -1.146 174.219 175.328 0.062 0.000 1.269 453 H CA -0.402 55.639 56.048 -0.013 0.000 1.402 453 H CB 0.373 30.140 29.762 0.008 0.000 2.429 453 H HN 0.435 nan 8.280 nan 0.000 0.604 454 R N 0.693 121.160 120.500 -0.054 0.000 2.771 454 R HA 0.487 4.827 4.340 0.001 0.000 0.274 454 R C -0.896 175.361 176.300 -0.072 0.000 0.987 454 R CA -0.789 55.249 56.100 -0.104 0.000 0.908 454 R CB 2.541 32.748 30.300 -0.156 0.000 1.213 454 R HN 0.141 nan 8.270 nan 0.000 0.468 455 S N 1.335 116.977 115.700 -0.097 0.000 2.565 455 S HA 0.318 4.788 4.470 0.001 0.000 0.290 455 S C -0.856 173.645 174.600 -0.165 0.000 1.150 455 S CA -0.887 57.270 58.200 -0.072 0.000 1.058 455 S CB 1.392 64.575 63.200 -0.029 0.000 1.032 455 S HN 0.556 nan 8.310 nan 0.000 0.510 456 E N 1.010 121.131 120.200 -0.132 0.000 2.293 456 E HA 0.554 4.905 4.350 0.001 0.000 0.270 456 E C -1.505 175.001 176.600 -0.157 0.000 0.879 456 E CA -1.016 55.300 56.400 -0.140 0.000 0.756 456 E CB 1.326 30.950 29.700 -0.127 0.000 1.208 456 E HN 0.311 nan 8.360 nan 0.000 0.428 457 L N 2.854 123.966 121.223 -0.185 0.000 2.260 457 L HA 0.244 4.585 4.340 0.001 0.000 0.289 457 L C -1.148 175.590 176.870 -0.221 0.000 1.057 457 L CA -0.517 54.136 54.840 -0.311 0.000 0.811 457 L CB 1.278 42.920 42.059 -0.695 0.000 1.184 457 L HN 0.501 nan 8.230 nan 0.000 0.429 458 V N 7.106 126.903 119.914 -0.194 0.000 2.383 458 V HA 0.325 4.446 4.120 0.001 0.000 0.275 458 V C 0.360 176.388 176.094 -0.110 0.000 1.036 458 V CA -0.365 61.871 62.300 -0.107 0.000 0.889 458 V CB 1.128 32.925 31.823 -0.044 0.000 0.985 458 V HN 0.542 nan 8.190 nan 0.000 0.459 459 I N 6.642 127.151 120.570 -0.103 0.000 2.287 459 I HA 0.332 4.503 4.170 0.001 0.000 0.290 459 I C -0.205 175.887 176.117 -0.041 0.000 1.069 459 I CA 0.002 61.220 61.300 -0.136 0.000 1.237 459 I CB 0.550 38.408 38.000 -0.237 0.000 1.418 459 I HN 0.383 nan 8.210 nan 0.000 0.481 460 L N 4.739 125.954 121.223 -0.013 0.000 2.343 460 L HA 0.355 4.696 4.340 0.001 0.000 0.275 460 L C 0.259 177.157 176.870 0.047 0.000 1.056 460 L CA -0.753 54.105 54.840 0.030 0.000 0.804 460 L CB 1.039 43.123 42.059 0.042 0.000 1.203 460 L HN 0.449 nan 8.230 nan 0.000 0.440 461 D N 1.547 121.971 120.400 0.040 0.000 2.346 461 D HA 0.146 4.786 4.640 0.001 0.000 0.260 461 D C 0.788 177.050 176.300 -0.064 0.000 1.252 461 D CA 0.074 54.056 54.000 -0.029 0.000 0.895 461 D CB 1.707 42.492 40.800 -0.026 0.000 1.097 461 D HN 0.597 nan 8.370 nan 0.000 0.489 462 A N 4.154 126.894 122.820 -0.132 0.000 2.125 462 A HA -0.181 4.140 4.320 0.001 0.000 0.219 462 A C 1.852 179.433 177.584 -0.006 0.000 1.156 462 A CA 1.092 53.099 52.037 -0.050 0.000 0.671 462 A CB -0.262 18.707 19.000 -0.051 0.000 0.794 462 A HN 0.721 nan 8.150 nan 0.000 0.459 463 Q N -1.337 118.419 119.800 -0.075 0.000 2.369 463 Q HA -0.060 4.281 4.340 0.001 0.000 0.206 463 Q C -0.403 175.565 176.000 -0.052 0.000 0.963 463 Q CA 0.979 56.733 55.803 -0.081 0.000 0.894 463 Q CB 0.237 28.922 28.738 -0.088 0.000 0.965 463 Q HN 0.584 nan 8.270 nan 0.000 0.475 464 D N -0.541 119.842 120.400 -0.029 0.000 2.474 464 D HA 0.045 4.686 4.640 0.001 0.000 0.234 464 D C 0.288 176.590 176.300 0.003 0.000 1.323 464 D CA -0.178 53.814 54.000 -0.012 0.000 0.915 464 D CB 0.188 40.979 40.800 -0.016 0.000 1.487 464 D HN 0.146 nan 8.370 nan 0.000 0.524 465 I N 0.351 120.935 120.570 0.024 0.000 3.001 465 I HA 0.018 4.189 4.170 0.001 0.000 0.268 465 I C 1.393 177.517 176.117 0.013 0.000 1.267 465 I CA 1.287 62.611 61.300 0.039 0.000 1.472 465 I CB -0.198 37.856 38.000 0.089 0.000 1.089 465 I HN 0.254 nan 8.210 nan 0.000 0.468 466 T N -1.332 113.220 114.554 -0.004 0.000 3.107 466 T HA 0.527 4.877 4.350 0.001 0.000 0.249 466 T C 0.916 175.601 174.700 -0.026 0.000 1.096 466 T CA 0.086 62.169 62.100 -0.028 0.000 1.012 466 T CB -0.274 68.577 68.868 -0.028 0.000 0.977 466 T HN 0.397 nan 8.240 nan 0.000 0.527 467 A N 3.127 125.940 122.820 -0.013 0.000 2.346 467 A HA 0.583 4.904 4.320 0.001 0.000 0.252 467 A C -1.986 175.594 177.584 -0.007 0.000 1.089 467 A CA -1.560 50.471 52.037 -0.009 0.000 0.797 467 A CB -0.228 18.769 19.000 -0.004 0.000 1.047 467 A HN 0.362 nan 8.150 nan 0.000 0.494 468 P HA 0.230 nan 4.420 nan 0.000 0.266 468 P C -0.076 177.232 177.300 0.014 0.000 1.195 468 P CA 0.310 63.411 63.100 0.001 0.000 0.768 468 P CB 0.359 32.060 31.700 0.002 0.000 0.838 469 A N 3.925 126.760 122.820 0.025 0.000 2.565 469 A HA -0.020 4.301 4.320 0.001 0.000 0.237 469 A C 1.780 179.378 177.584 0.022 0.000 1.053 469 A CA -0.123 51.935 52.037 0.034 0.000 0.755 469 A CB -0.481 18.548 19.000 0.049 0.000 0.980 469 A HN 0.483 nan 8.150 nan 0.000 0.506 470 I N 0.755 121.339 120.570 0.024 0.000 2.361 470 I HA -0.025 4.146 4.170 0.001 0.000 0.251 470 I C 1.299 177.408 176.117 -0.012 0.000 1.133 470 I CA 2.137 63.448 61.300 0.019 0.000 1.413 470 I CB -1.854 36.177 38.000 0.052 0.000 1.073 470 I HN 0.800 nan 8.210 nan 0.000 0.424 471 A N -0.452 122.352 122.820 -0.026 0.000 2.586 471 A HA 0.594 4.915 4.320 0.001 0.000 0.296 471 A C -0.568 176.997 177.584 -0.031 0.000 1.040 471 A CA -0.487 51.533 52.037 -0.028 0.000 0.701 471 A CB 0.688 19.663 19.000 -0.042 0.000 1.277 471 A HN 0.021 nan 8.150 nan 0.000 0.413 472 T N 1.942 116.484 114.554 -0.020 0.000 2.812 472 T HA 0.577 4.928 4.350 0.001 0.000 0.282 472 T C -1.068 173.614 174.700 -0.030 0.000 0.990 472 T CA -0.338 61.743 62.100 -0.031 0.000 0.960 472 T CB 0.852 69.713 68.868 -0.012 0.000 0.948 472 T HN 0.431 nan 8.240 nan 0.000 0.438 473 L N 3.957 125.152 121.223 -0.047 0.000 2.276 473 L HA 0.442 4.782 4.340 0.001 0.000 0.286 473 L C 0.300 177.138 176.870 -0.054 0.000 1.024 473 L CA -0.518 54.309 54.840 -0.021 0.000 0.826 473 L CB 0.621 42.692 42.059 0.021 0.000 1.211 473 L HN 0.483 nan 8.230 nan 0.000 0.422 474 K N 4.954 125.316 120.400 -0.063 0.000 2.263 474 K HA 0.579 4.899 4.320 0.001 0.000 0.272 474 K C -0.608 175.889 176.600 -0.172 0.000 1.033 474 K CA -0.568 55.651 56.287 -0.113 0.000 0.884 474 K CB 1.470 33.917 32.500 -0.089 0.000 1.107 474 K HN 0.405 nan 8.250 nan 0.000 0.460 475 L N 2.715 123.757 121.223 -0.303 0.000 2.439 475 L HA 0.187 4.528 4.340 0.001 0.000 0.261 475 L C 1.260 177.812 176.870 -0.529 0.000 1.153 475 L CA -0.443 54.084 54.840 -0.522 0.000 0.808 475 L CB 0.454 41.927 42.059 -0.977 0.000 1.126 475 L HN 0.564 nan 8.230 nan 0.000 0.460 476 K N 0.322 120.353 120.400 -0.615 0.000 2.515 476 K HA -0.040 4.281 4.320 0.001 0.000 0.196 476 K C 0.039 176.396 176.600 -0.405 0.000 1.038 476 K CA 0.672 56.681 56.287 -0.463 0.000 0.967 476 K CB -0.186 32.013 32.500 -0.502 0.000 0.780 476 K HN 0.581 nan 8.250 nan 0.000 0.483 477 H N -2.459 116.319 119.070 -0.485 0.000 2.902 477 H HA 0.157 4.714 4.556 0.002 0.000 0.297 477 H C -1.003 174.153 175.328 -0.288 0.000 1.406 477 H CA -1.052 54.773 56.048 -0.372 0.000 1.134 477 H CB 0.548 29.969 29.762 -0.568 0.000 1.833 477 H HN 0.004 nan 8.280 nan 0.000 0.527 478 H N 0.708 119.670 119.070 -0.179 0.000 2.508 478 H HA 0.564 5.120 4.556 0.001 0.000 0.344 478 H C -0.887 174.448 175.328 0.010 0.000 1.192 478 H CA -0.865 55.096 56.048 -0.145 0.000 1.290 478 H CB 1.607 31.231 29.762 -0.230 0.000 1.571 478 H HN 0.476 nan 8.280 nan 0.000 0.555 479 I N 2.891 123.316 120.570 -0.241 0.000 2.389 479 I HA 0.237 4.408 4.170 0.001 0.000 0.288 479 I C -2.388 173.522 176.117 -0.345 0.000 0.999 479 I CA -2.321 58.805 61.300 -0.290 0.000 1.129 479 I CB 2.023 39.984 38.000 -0.066 0.000 1.288 479 I HN 0.379 nan 8.210 nan 0.000 0.444 480 P HA -0.026 nan 4.420 nan 0.000 0.269 480 P C -1.008 176.121 177.300 -0.285 0.000 1.209 480 P CA -0.141 62.761 63.100 -0.331 0.000 0.776 480 P CB 0.119 31.776 31.700 -0.071 0.000 0.876 481 Y N 2.327 122.449 120.300 -0.297 0.000 2.831 481 Y HA -0.060 4.490 4.550 0.001 0.000 0.378 481 Y C -1.397 174.506 175.900 0.005 0.000 1.332 481 Y CA -0.694 57.285 58.100 -0.203 0.000 1.693 481 Y CB -1.689 36.531 38.460 -0.401 0.000 1.191 481 Y HN 0.368 nan 8.280 nan 0.000 0.516 482 P HA 0.252 nan 4.420 nan 0.000 0.279 482 P C 0.135 177.505 177.300 0.117 0.000 1.282 482 P CA -0.387 62.777 63.100 0.107 0.000 0.788 482 P CB 1.434 33.164 31.700 0.049 0.000 1.139 483 L N -0.780 120.500 121.223 0.095 0.000 2.617 483 L HA 0.299 4.640 4.340 0.001 0.000 0.193 483 L C 1.090 177.876 176.870 -0.140 0.000 1.655 483 L CA -0.586 54.276 54.840 0.037 0.000 3.079 483 L CB -0.429 41.727 42.059 0.161 0.000 2.896 483 L HN 0.326 nan 8.230 nan 0.000 0.876 484 H N -0.561 118.602 119.070 0.155 0.000 2.482 484 H HA 0.496 5.053 4.556 0.001 0.000 0.344 484 H C -0.458 174.936 175.328 0.111 0.000 1.151 484 H CA -0.078 56.042 56.048 0.120 0.000 1.300 484 H CB 1.540 31.385 29.762 0.137 0.000 1.494 484 H HN 0.516 nan 8.280 nan 0.000 0.542 485 G N -0.212 108.744 108.800 0.260 0.000 2.949 485 G HA2 0.520 4.481 3.960 0.001 0.000 0.285 485 G HA3 0.520 4.481 3.960 0.001 0.000 0.285 485 G C -1.182 173.887 174.900 0.280 0.000 1.395 485 G CA -0.636 44.614 45.100 0.251 0.000 0.901 485 G HN 0.668 nan 8.290 nan 0.000 0.519 486 S N -1.480 114.419 115.700 0.332 0.000 2.550 486 S HA 0.549 5.020 4.470 0.001 0.000 0.270 486 S C -1.524 173.348 174.600 0.452 0.000 1.145 486 S CA -0.811 57.606 58.200 0.362 0.000 0.852 486 S CB 1.860 65.255 63.200 0.326 0.000 1.119 486 S HN 0.921 nan 8.310 nan 0.000 0.465 487 W N 2.535 123.965 121.300 0.217 0.000 2.335 487 W HA 0.615 5.274 4.660 -0.000 0.000 0.307 487 W C -0.749 175.912 176.519 0.237 0.000 1.117 487 W CA -0.731 56.721 57.345 0.179 0.000 1.228 487 W CB 1.398 30.920 29.460 0.103 0.000 1.240 487 W HN 0.974 nan 8.180 nan 0.000 0.468 488 A N 6.184 128.756 122.820 -0.414 0.000 2.540 488 A HA 0.209 4.529 4.320 0.001 0.000 0.340 488 A C -0.215 176.902 177.584 -0.779 0.000 1.424 488 A CA -0.496 51.358 52.037 -0.305 0.000 0.940 488 A CB 0.517 19.592 19.000 0.126 0.000 1.149 488 A HN 0.760 nan 8.150 nan 0.000 0.505 489 Q N 1.383 120.776 119.800 -0.679 0.000 2.364 489 Q HA 0.281 4.622 4.340 0.001 0.000 0.267 489 Q C 0.366 176.267 176.000 -0.164 0.000 0.999 489 Q CA 0.518 56.072 55.803 -0.414 0.000 0.886 489 Q CB 0.573 29.336 28.738 0.043 0.000 1.243 489 Q HN 0.654 nan 8.270 nan 0.000 0.415 490 T N 0.000 114.504 114.554 -0.083 0.000 3.816 490 T HA 0.000 4.351 4.350 0.001 0.000 0.228 490 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 490 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 490 T HN 0.000 nan 8.240 nan 0.000 0.658