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 3io1_1_A DATA FIRST_RESID 2 DATA SEQUENCE LQLDEYLRQL APSXTQWRRD FHLHAESGWL EFRTASKVAD ILDGLGYQLA DATA SEQUENCE LGRDVIDADS RXGLPDEETL ARAFERAREQ GAPERWLPAF EGGFAGVVAT DATA SEQUENCE LDTGRPGPTL AFRVDXDALD LXXXXXXXXX XXXXXXXXXX XXXXXXCGHD DATA SEQUENCE GHTAIGLGLA HVLKQYAAQL NGVIKLIFQP AEEGTRGARA XVAAGVVDDV DATA SEQUENCE DYFTAIHIGT GVPAGTVVCG GDNFXATTKF DVQFSGVAAH AGGKPEDGRN DATA SEQUENCE ALLAAAQAAL GLHAIPPHSA GASRVNVGVX QAGTGRNVVP SSALLKVETR DATA SEQUENCE GESEAINQYV FERAQHVVAG AAAXYEARYE LRXXGAATAS APSPAWVDYL DATA SEQUENCE REQAARVPGV QQAVDRIAAP AGSEDATLXX ARVQARGGLA SYXIFGTELX DATA SEQUENCE XXXXXXXXXX DESVXAVAVE TLARVALNFP WQR 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.960 176.870 0.151 0.000 1.165 2 L CA 0.000 54.888 54.840 0.080 0.000 0.813 2 L CB 0.000 42.122 42.059 0.104 0.000 0.961 3 Q N 1.873 121.741 119.800 0.113 0.000 2.439 3 Q HA -0.278 4.062 4.340 0.000 0.000 0.247 3 Q C 0.908 177.041 176.000 0.221 0.000 0.899 3 Q CA 1.135 57.027 55.803 0.148 0.000 1.201 3 Q CB -0.825 28.007 28.738 0.157 0.000 1.608 3 Q HN 0.674 nan 8.270 nan 0.000 0.563 4 L N 0.972 122.272 121.223 0.128 0.000 2.046 4 L HA -0.160 4.180 4.340 0.000 0.000 0.208 4 L C 1.846 178.799 176.870 0.138 0.000 1.077 4 L CA 2.907 57.806 54.840 0.097 0.000 0.747 4 L CB -0.447 41.502 42.059 -0.183 0.000 0.896 4 L HN 0.397 nan 8.230 nan 0.000 0.432 5 D N -1.232 119.208 120.400 0.067 0.000 2.149 5 D HA -0.252 4.388 4.640 0.000 0.000 0.198 5 D C 1.773 178.111 176.300 0.062 0.000 0.990 5 D CA 1.580 55.606 54.000 0.044 0.000 0.839 5 D CB -0.023 40.789 40.800 0.020 0.000 0.948 5 D HN 0.448 nan 8.370 nan 0.000 0.460 6 E N -0.872 119.389 120.200 0.101 0.000 2.028 6 E HA -0.098 4.252 4.350 0.000 0.000 0.190 6 E C 1.749 178.429 176.600 0.133 0.000 0.984 6 E CA 0.873 57.332 56.400 0.098 0.000 0.800 6 E CB -0.823 28.942 29.700 0.108 0.000 0.758 6 E HN 0.416 nan 8.360 nan 0.000 0.448 7 Y N 1.178 121.532 120.300 0.091 0.000 2.139 7 Y HA -0.259 4.291 4.550 0.000 0.000 0.282 7 Y C 1.865 177.806 175.900 0.068 0.000 1.179 7 Y CA 1.477 59.637 58.100 0.100 0.000 1.161 7 Y CB -0.481 38.104 38.460 0.209 0.000 0.970 7 Y HN 0.022 nan 8.280 nan 0.000 0.511 8 L N -0.073 121.134 121.223 -0.026 0.000 2.013 8 L HA -0.301 4.039 4.340 0.000 0.000 0.212 8 L C 2.486 179.254 176.870 -0.170 0.000 1.073 8 L CA 1.932 56.693 54.840 -0.132 0.000 0.753 8 L CB -0.447 41.591 42.059 -0.035 0.000 0.890 8 L HN 0.204 nan 8.230 nan 0.000 0.432 9 R N -0.663 119.775 120.500 -0.104 0.000 2.316 9 R HA -0.081 4.259 4.340 0.000 0.000 0.202 9 R C 1.276 177.496 176.300 -0.134 0.000 1.029 9 R CA 0.407 56.446 56.100 -0.101 0.000 1.018 9 R CB -0.104 30.163 30.300 -0.056 0.000 0.888 9 R HN 0.412 nan 8.270 nan 0.000 0.471 10 Q N 0.283 119.975 119.800 -0.180 0.000 2.222 10 Q HA 0.104 4.444 4.340 0.000 0.000 0.206 10 Q C 0.828 176.636 176.000 -0.320 0.000 0.877 10 Q CA 0.297 55.985 55.803 -0.191 0.000 0.958 10 Q CB 0.894 29.575 28.738 -0.095 0.000 1.075 10 Q HN 0.202 nan 8.270 nan 0.000 0.483 11 L N -1.626 119.381 121.223 -0.359 0.000 2.885 11 L HA 0.333 4.673 4.340 0.000 0.000 0.251 11 L C 1.725 178.394 176.870 -0.335 0.000 1.071 11 L CA 0.981 55.583 54.840 -0.397 0.000 0.956 11 L CB -0.415 41.364 42.059 -0.465 0.000 1.483 11 L HN -0.019 nan 8.230 nan 0.000 0.525 12 A N 1.176 123.845 122.820 -0.252 0.000 1.940 12 A HA -0.175 4.145 4.320 0.000 0.000 0.221 12 A C -0.245 177.187 177.584 -0.253 0.000 1.190 12 A CA 2.511 54.422 52.037 -0.210 0.000 0.647 12 A CB -2.023 16.885 19.000 -0.153 0.000 0.821 12 A HN 0.454 nan 8.150 nan 0.000 0.457 13 P HA 0.004 nan 4.420 nan 0.000 0.222 13 P C 0.675 177.733 177.300 -0.403 0.000 1.147 13 P CA 0.896 63.835 63.100 -0.267 0.000 0.790 13 P CB 0.018 31.590 31.700 -0.213 0.000 0.780 17 Q N -0.129 119.516 119.800 -0.259 0.000 2.124 17 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 17 Q C 1.512 177.432 176.000 -0.133 0.000 0.977 17 Q CA 1.815 57.474 55.803 -0.240 0.000 0.850 17 Q CB -0.122 28.390 28.738 -0.377 0.000 0.901 17 Q HN 0.692 nan 8.270 nan 0.000 0.429 18 W N 1.088 122.300 121.300 -0.147 0.000 2.407 18 W HA -0.025 4.635 4.660 0.000 0.000 0.305 18 W C 2.438 178.869 176.519 -0.147 0.000 1.196 18 W CA 0.928 58.118 57.345 -0.258 0.000 1.311 18 W CB -0.960 28.449 29.460 -0.084 0.000 1.135 18 W HN 0.305 nan 8.180 nan 0.000 0.514 19 R N 1.069 121.711 120.500 0.237 0.000 2.103 19 R HA -0.179 4.161 4.340 0.000 0.000 0.242 19 R C 2.229 178.627 176.300 0.164 0.000 1.142 19 R CA 2.022 58.248 56.100 0.210 0.000 0.960 19 R CB -0.357 30.009 30.300 0.110 0.000 0.858 19 R HN 0.090 nan 8.270 nan 0.000 0.439 20 R N 0.014 120.559 120.500 0.075 0.000 2.062 20 R HA -0.105 4.235 4.340 0.000 0.000 0.229 20 R C 2.096 178.453 176.300 0.094 0.000 1.128 20 R CA 1.558 57.702 56.100 0.074 0.000 0.960 20 R CB -0.527 29.777 30.300 0.007 0.000 0.855 20 R HN 0.355 nan 8.270 nan 0.000 0.432 21 D N 0.308 120.714 120.400 0.010 0.000 2.117 21 D HA -0.168 4.472 4.640 0.000 0.000 0.197 21 D C 1.348 177.715 176.300 0.111 0.000 0.987 21 D CA 1.139 55.140 54.000 0.002 0.000 0.829 21 D CB 0.010 40.730 40.800 -0.132 0.000 0.961 21 D HN 0.051 nan 8.370 nan 0.000 0.460 22 F N -0.741 119.318 119.950 0.183 0.000 2.661 22 F HA 0.114 4.641 4.527 0.000 0.000 0.298 22 F C 2.046 177.921 175.800 0.125 0.000 1.137 22 F CA 0.599 58.685 58.000 0.143 0.000 1.454 22 F CB -0.701 38.369 39.000 0.117 0.000 1.103 22 F HN 0.197 nan 8.300 nan 0.000 0.577 23 H N -0.892 118.291 119.070 0.189 0.000 2.465 23 H HA 0.049 4.605 4.556 0.000 0.000 0.289 23 H C 2.053 177.403 175.328 0.036 0.000 1.022 23 H CA 0.846 56.950 56.048 0.094 0.000 1.340 23 H CB 0.013 29.810 29.762 0.058 0.000 1.437 23 H HN 0.144 nan 8.280 nan 0.000 0.539 24 L N -0.110 121.140 121.223 0.045 0.000 2.027 24 L HA -0.099 4.241 4.340 0.000 0.000 0.206 24 L C 0.532 177.226 176.870 -0.293 0.000 1.074 24 L CA 1.540 56.287 54.840 -0.156 0.000 0.745 24 L CB -0.166 41.773 42.059 -0.199 0.000 0.898 24 L HN 0.381 nan 8.230 nan 0.000 0.433 25 H N 0.157 119.268 119.070 0.069 0.000 2.421 25 H HA 0.460 5.016 4.556 0.000 0.000 0.241 25 H C 0.063 175.430 175.328 0.065 0.000 1.428 25 H CA 0.007 56.097 56.048 0.069 0.000 1.136 25 H CB -0.256 29.569 29.762 0.105 0.000 1.612 25 H HN 0.312 nan 8.280 nan 0.000 0.537 26 A N 1.606 124.462 122.820 0.060 0.000 2.462 26 A HA 0.256 4.576 4.320 0.000 0.000 0.243 26 A C 0.292 177.881 177.584 0.008 0.000 1.076 26 A CA -0.042 52.002 52.037 0.012 0.000 0.773 26 A CB 0.556 19.506 19.000 -0.083 0.000 1.010 26 A HN 0.565 nan 8.150 nan 0.000 0.493 27 E N 1.079 121.263 120.200 -0.027 0.000 2.288 27 E HA 0.477 4.827 4.350 0.000 0.000 0.268 27 E C -0.564 175.980 176.600 -0.093 0.000 0.885 27 E CA -0.703 55.666 56.400 -0.052 0.000 0.767 27 E CB 2.026 31.676 29.700 -0.082 0.000 1.220 27 E HN 0.623 nan 8.360 nan 0.000 0.427 28 S N 0.275 115.927 115.700 -0.080 0.000 2.661 28 S HA 0.378 4.848 4.470 0.000 0.000 0.265 28 S C 0.478 174.989 174.600 -0.148 0.000 1.225 28 S CA -0.639 57.506 58.200 -0.091 0.000 0.986 28 S CB 0.697 63.873 63.200 -0.039 0.000 1.008 28 S HN 0.642 nan 8.310 nan 0.000 0.565 29 G N -0.977 107.723 108.800 -0.168 0.000 2.265 29 G HA2 0.135 4.095 3.960 0.000 0.000 0.240 29 G HA3 0.135 4.095 3.960 0.000 0.000 0.240 29 G C -0.208 174.587 174.900 -0.174 0.000 1.270 29 G CA -0.173 44.744 45.100 -0.306 0.000 0.901 29 G HN 0.926 nan 8.290 nan 0.000 0.507 30 W N -0.385 120.797 121.300 -0.196 0.000 2.062 30 W HA -0.225 4.435 4.660 0.000 0.000 0.257 30 W C 1.153 177.413 176.519 -0.432 0.000 1.024 30 W CA 0.192 57.397 57.345 -0.234 0.000 0.471 30 W CB -1.379 27.993 29.460 -0.145 0.000 2.039 30 W HN 0.489 nan 8.180 nan 0.000 1.321 31 L N 0.001 121.026 121.223 -0.330 0.000 3.014 31 L HA 0.203 4.543 4.340 0.000 0.000 0.263 31 L C 0.790 177.164 176.870 -0.825 0.000 1.207 31 L CA -0.185 54.204 54.840 -0.752 0.000 1.017 31 L CB -0.151 41.797 42.059 -0.186 0.000 1.360 31 L HN -0.157 nan 8.230 nan 0.000 0.560 32 E N 0.318 120.144 120.200 -0.625 0.000 2.651 32 E HA -0.004 4.346 4.350 0.000 0.000 0.236 32 E C 0.848 177.226 176.600 -0.370 0.000 1.422 32 E CA 0.095 56.251 56.400 -0.408 0.000 1.534 32 E CB -0.403 29.091 29.700 -0.344 0.000 1.381 32 E HN 0.239 nan 8.360 nan 0.000 0.435 33 F N 0.402 120.353 119.950 0.002 0.000 2.069 33 F HA -0.177 4.350 4.527 0.000 0.000 0.298 33 F C 2.445 178.230 175.800 -0.025 0.000 1.113 33 F CA 1.314 59.342 58.000 0.046 0.000 1.214 33 F CB -0.559 38.565 39.000 0.208 0.000 0.978 33 F HN 0.175 nan 8.300 nan 0.000 0.474 34 R N 0.163 120.761 120.500 0.163 0.000 2.073 34 R HA -0.154 4.186 4.340 0.000 0.000 0.234 34 R C 2.115 178.433 176.300 0.030 0.000 1.134 34 R CA 2.191 58.348 56.100 0.094 0.000 0.952 34 R CB -0.673 29.669 30.300 0.071 0.000 0.850 34 R HN 0.258 nan 8.270 nan 0.000 0.433 35 T N 0.723 115.235 114.554 -0.070 0.000 2.665 35 T HA -0.184 4.166 4.350 0.000 0.000 0.268 35 T C 1.858 176.349 174.700 -0.349 0.000 1.035 35 T CA 1.585 63.528 62.100 -0.262 0.000 1.151 35 T CB -0.403 68.197 68.868 -0.446 0.000 0.862 35 T HN 0.493 nan 8.240 nan 0.000 0.438 36 A N 1.286 123.850 122.820 -0.426 0.000 1.933 36 A HA -0.077 4.243 4.320 0.000 0.000 0.218 36 A C 2.620 179.998 177.584 -0.344 0.000 1.175 36 A CA 1.874 53.528 52.037 -0.638 0.000 0.628 36 A CB -0.800 17.383 19.000 -1.362 0.000 0.814 36 A HN 0.448 nan 8.150 nan 0.000 0.444 37 S N -0.024 115.651 115.700 -0.041 0.000 2.368 37 S HA -0.121 4.349 4.470 0.000 0.000 0.225 37 S C 2.007 176.643 174.600 0.060 0.000 1.030 37 S CA 1.368 59.742 58.200 0.290 0.000 0.999 37 S CB -0.164 63.246 63.200 0.350 0.000 0.844 37 S HN 0.498 nan 8.310 nan 0.000 0.459 38 K N 1.113 121.534 120.400 0.036 0.000 2.057 38 K HA 0.056 4.377 4.320 0.000 0.000 0.206 38 K C 2.171 178.714 176.600 -0.095 0.000 1.050 38 K CA 0.746 57.067 56.287 0.057 0.000 0.935 38 K CB -0.993 31.672 32.500 0.275 0.000 0.715 38 K HN 0.267 nan 8.250 nan 0.000 0.439 39 V N 1.793 121.564 119.914 -0.238 0.000 2.261 39 V HA -0.238 3.882 4.120 0.000 0.000 0.246 39 V C 2.527 178.291 176.094 -0.549 0.000 1.047 39 V CA 1.993 64.001 62.300 -0.486 0.000 1.015 39 V CB -0.862 30.460 31.823 -0.836 0.000 0.642 39 V HN 0.291 nan 8.190 nan 0.000 0.446 40 A N 0.097 122.588 122.820 -0.549 0.000 1.883 40 A HA -0.345 3.975 4.320 0.000 0.000 0.217 40 A C 2.022 178.989 177.584 -1.030 0.000 1.186 40 A CA 2.443 54.021 52.037 -0.765 0.000 0.624 40 A CB -0.853 17.709 19.000 -0.729 0.000 0.822 40 A HN 0.627 nan 8.150 nan 0.000 0.444 41 D N -0.105 119.757 120.400 -0.898 0.000 2.103 41 D HA -0.180 4.460 4.640 0.000 0.000 0.190 41 D C 1.725 177.910 176.300 -0.191 0.000 0.997 41 D CA 2.013 55.756 54.000 -0.428 0.000 0.833 41 D CB -0.284 40.502 40.800 -0.023 0.000 0.961 41 D HN 0.483 nan 8.370 nan 0.000 0.447 42 I N 0.001 120.469 120.570 -0.170 0.000 2.226 42 I HA -0.242 3.928 4.170 0.000 0.000 0.245 42 I C 2.490 178.539 176.117 -0.113 0.000 1.100 42 I CA 0.682 61.930 61.300 -0.087 0.000 1.374 42 I CB -0.284 37.645 38.000 -0.118 0.000 1.057 42 I HN 0.150 nan 8.210 nan 0.000 0.413 43 L N 0.290 121.377 121.223 -0.226 0.000 2.083 43 L HA -0.242 4.098 4.340 0.000 0.000 0.209 43 L C 2.203 179.081 176.870 0.013 0.000 1.083 43 L CA 1.589 56.349 54.840 -0.133 0.000 0.752 43 L CB -0.641 41.227 42.059 -0.318 0.000 0.899 43 L HN 0.312 nan 8.230 nan 0.000 0.433 44 D N 0.046 120.377 120.400 -0.114 0.000 2.144 44 D HA -0.127 4.513 4.640 0.000 0.000 0.200 44 D C 2.160 178.508 176.300 0.081 0.000 0.978 44 D CA 1.211 55.215 54.000 0.006 0.000 0.833 44 D CB 0.001 40.806 40.800 0.008 0.000 0.961 44 D HN 0.178 nan 8.370 nan 0.000 0.470 45 G N 0.079 108.918 108.800 0.066 0.000 2.448 45 G HA2 -0.161 3.799 3.960 0.000 0.000 0.219 45 G HA3 -0.161 3.799 3.960 0.000 0.000 0.219 45 G C 1.473 176.412 174.900 0.065 0.000 1.127 45 G CA 0.380 45.533 45.100 0.088 0.000 0.766 45 G HN 0.367 nan 8.290 nan 0.000 0.552 46 L N 0.121 121.372 121.223 0.047 0.000 2.591 46 L HA 0.271 4.611 4.340 0.000 0.000 0.228 46 L C 1.840 178.655 176.870 -0.091 0.000 1.133 46 L CA 0.393 55.232 54.840 -0.002 0.000 0.880 46 L CB 0.006 42.062 42.059 -0.004 0.000 1.033 46 L HN 0.352 nan 8.230 nan 0.000 0.450 47 G N -0.909 107.871 108.800 -0.033 0.000 2.132 47 G HA2 -0.300 3.660 3.960 0.000 0.000 0.228 47 G HA3 -0.300 3.660 3.960 0.000 0.000 0.228 47 G C -0.166 174.662 174.900 -0.121 0.000 1.000 47 G CA -0.480 44.576 45.100 -0.073 0.000 0.693 47 G HN 0.209 nan 8.290 nan 0.000 0.515 48 Y N -0.092 120.201 120.300 -0.011 0.000 2.304 48 Y HA 0.533 5.083 4.550 0.000 0.000 0.327 48 Y C 0.977 176.884 175.900 0.011 0.000 1.209 48 Y CA -0.294 57.804 58.100 -0.003 0.000 1.299 48 Y CB 0.962 39.407 38.460 -0.024 0.000 1.249 48 Y HN 0.145 nan 8.280 nan 0.000 0.519 49 Q N 3.015 122.938 119.800 0.206 0.000 2.389 49 Q HA 0.318 4.658 4.340 0.000 0.000 0.244 49 Q C -0.939 175.142 176.000 0.134 0.000 1.056 49 Q CA 0.134 56.019 55.803 0.138 0.000 0.908 49 Q CB 0.022 28.823 28.738 0.105 0.000 1.273 49 Q HN 0.480 nan 8.270 nan 0.000 0.471 50 L N 0.995 122.286 121.223 0.113 0.000 2.418 50 L HA 0.759 5.099 4.340 0.000 0.000 0.265 50 L C 0.048 176.977 176.870 0.097 0.000 1.143 50 L CA -0.996 53.893 54.840 0.081 0.000 0.809 50 L CB 0.958 43.036 42.059 0.033 0.000 1.124 50 L HN 0.513 nan 8.230 nan 0.000 0.456 51 A N 3.586 126.463 122.820 0.094 0.000 2.381 51 A HA 0.817 5.137 4.320 0.000 0.000 0.299 51 A C -0.932 176.728 177.584 0.126 0.000 1.049 51 A CA -0.436 51.661 52.037 0.100 0.000 0.715 51 A CB 1.157 20.213 19.000 0.093 0.000 1.222 51 A HN 0.599 nan 8.150 nan 0.000 0.428 52 L N 1.703 123.002 121.223 0.126 0.000 2.283 52 L HA 0.813 5.153 4.340 0.000 0.000 0.259 52 L C 1.457 178.431 176.870 0.173 0.000 1.027 52 L CA -0.308 54.639 54.840 0.178 0.000 0.828 52 L CB 1.406 43.518 42.059 0.089 0.000 1.380 52 L HN 1.180 nan 8.230 nan 0.000 0.425 53 G N 0.610 109.604 108.800 0.323 0.000 2.698 53 G HA2 -0.403 3.558 3.960 0.000 0.000 0.337 53 G HA3 -0.403 3.558 3.960 0.000 0.000 0.337 53 G C 0.911 175.989 174.900 0.297 0.000 1.286 53 G CA 1.199 46.520 45.100 0.369 0.000 1.000 53 G HN 0.748 nan 8.290 nan 0.000 0.547 54 R N 0.973 121.489 120.500 0.026 0.000 2.241 54 R HA 0.029 4.369 4.340 0.000 0.000 0.224 54 R C 1.924 178.256 176.300 0.054 0.000 1.101 54 R CA 1.340 57.406 56.100 -0.057 0.000 0.995 54 R CB -0.187 29.861 30.300 -0.419 0.000 0.870 54 R HN 0.519 nan 8.270 nan 0.000 0.463 55 D N -0.346 120.091 120.400 0.062 0.000 2.317 55 D HA -0.067 4.573 4.640 0.000 0.000 0.211 55 D C 1.490 177.852 176.300 0.104 0.000 0.966 55 D CA 1.092 55.131 54.000 0.065 0.000 0.876 55 D CB 0.508 41.339 40.800 0.053 0.000 0.927 55 D HN 0.267 nan 8.370 nan 0.000 0.519 56 V N -2.362 117.645 119.914 0.155 0.000 3.451 56 V HA 0.344 4.464 4.120 0.000 0.000 0.288 56 V C 0.541 176.753 176.094 0.198 0.000 1.502 56 V CA -0.283 62.113 62.300 0.162 0.000 1.026 56 V CB 0.389 32.313 31.823 0.167 0.000 0.840 56 V HN -0.112 nan 8.190 nan 0.000 0.437 57 I N 2.223 122.955 120.570 0.270 0.000 2.466 57 I HA 0.403 4.573 4.170 0.000 0.000 0.279 57 I C -0.751 175.559 176.117 0.321 0.000 1.033 57 I CA -0.424 61.065 61.300 0.314 0.000 1.123 57 I CB 1.503 39.758 38.000 0.426 0.000 1.237 57 I HN 0.045 nan 8.210 nan 0.000 0.460 58 D N 4.907 125.429 120.400 0.203 0.000 2.412 58 D HA 0.144 4.784 4.640 0.000 0.000 0.257 58 D C 1.247 177.647 176.300 0.167 0.000 1.217 58 D CA 0.379 54.478 54.000 0.166 0.000 0.897 58 D CB 1.447 42.306 40.800 0.097 0.000 1.132 58 D HN 0.636 nan 8.370 nan 0.000 0.493 59 A N 4.424 127.400 122.820 0.260 0.000 1.873 59 A HA -0.270 4.050 4.320 0.000 0.000 0.218 59 A C 1.855 179.450 177.584 0.018 0.000 1.193 59 A CA 1.841 54.013 52.037 0.225 0.000 0.629 59 A CB -0.520 18.676 19.000 0.326 0.000 0.826 59 A HN 0.714 nan 8.150 nan 0.000 0.447 60 D N 0.229 120.649 120.400 0.033 0.000 2.104 60 D HA -0.116 4.524 4.640 0.000 0.000 0.194 60 D C 2.171 178.457 176.300 -0.025 0.000 0.994 60 D CA 1.901 55.898 54.000 -0.004 0.000 0.830 60 D CB -0.585 40.221 40.800 0.009 0.000 0.959 60 D HN 0.563 nan 8.370 nan 0.000 0.452 61 S N 0.225 115.924 115.700 -0.002 0.000 2.803 61 S HA 0.064 4.534 4.470 0.000 0.000 0.226 61 S C 0.898 175.504 174.600 0.009 0.000 0.962 61 S CA -0.148 58.056 58.200 0.005 0.000 0.968 61 S CB 0.030 63.246 63.200 0.026 0.000 0.786 61 S HN 0.103 nan 8.310 nan 0.000 0.527 65 L N 1.667 122.845 121.223 -0.075 0.000 2.426 65 L HA 0.605 4.945 4.340 0.000 0.000 0.271 65 L C -1.709 175.126 176.870 -0.060 0.000 1.169 65 L CA -1.169 53.514 54.840 -0.262 0.000 0.836 65 L CB 0.436 42.189 42.059 -0.510 0.000 1.112 65 L HN -0.020 nan 8.230 nan 0.000 0.465 66 P HA 0.165 nan 4.420 nan 0.000 0.272 66 P C -1.562 175.745 177.300 0.012 0.000 1.240 66 P CA -0.448 62.680 63.100 0.047 0.000 0.791 66 P CB 0.301 32.061 31.700 0.100 0.000 0.978 67 D N -0.648 119.767 120.400 0.025 0.000 2.368 67 D HA -0.026 4.614 4.640 0.000 0.000 0.240 67 D C 0.949 177.262 176.300 0.021 0.000 1.169 67 D CA -0.227 53.781 54.000 0.014 0.000 0.906 67 D CB 0.376 41.188 40.800 0.019 0.000 1.187 67 D HN 0.218 nan 8.370 nan 0.000 0.435 68 E N -0.165 120.039 120.200 0.007 0.000 2.187 68 E HA -0.292 4.058 4.350 0.000 0.000 0.199 68 E C 1.561 178.176 176.600 0.024 0.000 1.004 68 E CA 1.733 58.138 56.400 0.008 0.000 0.813 68 E CB -0.051 29.647 29.700 -0.002 0.000 0.736 68 E HN 0.730 nan 8.360 nan 0.000 0.468 69 E N -1.302 118.917 120.200 0.032 0.000 2.051 69 E HA -0.118 4.232 4.350 0.000 0.000 0.189 69 E C 1.767 178.408 176.600 0.067 0.000 0.979 69 E CA 1.529 57.954 56.400 0.042 0.000 0.803 69 E CB -0.050 29.672 29.700 0.036 0.000 0.761 69 E HN 0.190 nan 8.360 nan 0.000 0.451 70 T N 1.587 116.186 114.554 0.076 0.000 2.759 70 T HA -0.144 4.206 4.350 0.000 0.000 0.269 70 T C 1.843 176.641 174.700 0.164 0.000 1.042 70 T CA 1.115 63.279 62.100 0.107 0.000 1.140 70 T CB -0.188 68.738 68.868 0.097 0.000 0.864 70 T HN 0.149 nan 8.240 nan 0.000 0.455 71 L N 0.497 121.818 121.223 0.162 0.000 2.131 71 L HA -0.085 4.255 4.340 0.000 0.000 0.210 71 L C 2.915 179.899 176.870 0.191 0.000 1.092 71 L CA 1.019 56.009 54.840 0.249 0.000 0.759 71 L CB -0.583 41.580 42.059 0.173 0.000 0.903 71 L HN 0.252 nan 8.230 nan 0.000 0.435 72 A N 1.134 124.020 122.820 0.109 0.000 1.841 72 A HA -0.206 4.114 4.320 0.000 0.000 0.214 72 A C 2.373 180.048 177.584 0.152 0.000 1.195 72 A CA 1.645 53.735 52.037 0.088 0.000 0.611 72 A CB -0.539 18.492 19.000 0.053 0.000 0.835 72 A HN 0.488 nan 8.150 nan 0.000 0.443 73 R N -0.266 120.317 120.500 0.138 0.000 2.081 73 R HA 0.021 4.361 4.340 0.000 0.000 0.235 73 R C 2.162 178.566 176.300 0.173 0.000 1.131 73 R CA 1.583 57.762 56.100 0.132 0.000 0.960 73 R CB -0.771 29.592 30.300 0.105 0.000 0.856 73 R HN 0.310 nan 8.270 nan 0.000 0.436 74 A N 1.123 124.093 122.820 0.250 0.000 1.908 74 A HA -0.174 4.146 4.320 0.000 0.000 0.218 74 A C 2.028 179.851 177.584 0.397 0.000 1.181 74 A CA 1.317 53.567 52.037 0.356 0.000 0.627 74 A CB -0.741 18.565 19.000 0.510 0.000 0.818 74 A HN 0.477 nan 8.150 nan 0.000 0.445 75 F N 0.948 120.921 119.950 0.039 0.000 2.075 75 F HA -0.152 4.375 4.527 0.000 0.000 0.297 75 F C 2.304 178.062 175.800 -0.070 0.000 1.113 75 F CA 2.131 59.951 58.000 -0.301 0.000 1.218 75 F CB -0.142 38.556 39.000 -0.504 0.000 0.984 75 F HN 0.211 nan 8.300 nan 0.000 0.472 76 E N 0.315 120.533 120.200 0.029 0.000 2.077 76 E HA -0.166 4.184 4.350 0.000 0.000 0.193 76 E C 2.325 178.898 176.600 -0.045 0.000 0.989 76 E CA 0.869 57.245 56.400 -0.040 0.000 0.800 76 E CB -0.501 29.230 29.700 0.053 0.000 0.746 76 E HN 0.332 nan 8.360 nan 0.000 0.452 77 R N 0.563 121.080 120.500 0.028 0.000 2.127 77 R HA -0.027 4.313 4.340 0.000 0.000 0.238 77 R C 2.113 178.423 176.300 0.017 0.000 1.134 77 R CA 1.092 57.217 56.100 0.042 0.000 0.975 77 R CB -0.755 29.599 30.300 0.089 0.000 0.865 77 R HN 0.180 nan 8.270 nan 0.000 0.447 78 A N 0.710 123.531 122.820 0.002 0.000 1.898 78 A HA -0.146 4.174 4.320 0.000 0.000 0.216 78 A C 2.266 179.793 177.584 -0.095 0.000 1.181 78 A CA 1.358 53.387 52.037 -0.014 0.000 0.620 78 A CB -0.364 18.665 19.000 0.049 0.000 0.819 78 A HN 0.175 nan 8.150 nan 0.000 0.442 79 R N 0.303 120.689 120.500 -0.191 0.000 2.152 79 R HA -0.085 4.255 4.340 0.000 0.000 0.232 79 R C 1.032 177.280 176.300 -0.087 0.000 1.117 79 R CA 1.588 57.585 56.100 -0.172 0.000 0.981 79 R CB -0.166 29.990 30.300 -0.239 0.000 0.870 79 R HN 0.657 nan 8.270 nan 0.000 0.451 80 E N -0.996 119.167 120.200 -0.062 0.000 2.419 80 E HA -0.017 4.333 4.350 0.000 0.000 0.190 80 E C 0.592 177.180 176.600 -0.021 0.000 1.040 80 E CA -0.040 56.344 56.400 -0.027 0.000 0.900 80 E CB 0.696 30.392 29.700 -0.007 0.000 1.054 80 E HN 0.152 nan 8.360 nan 0.000 0.462 81 Q N -0.599 119.170 119.800 -0.051 0.000 2.164 81 Q HA 0.186 4.526 4.340 0.000 0.000 0.226 81 Q C 0.820 176.716 176.000 -0.172 0.000 0.813 81 Q CA 0.537 56.276 55.803 -0.107 0.000 0.978 81 Q CB 1.443 30.110 28.738 -0.119 0.000 1.149 81 Q HN 0.317 nan 8.270 nan 0.000 0.489 82 G N -0.680 108.067 108.800 -0.088 0.000 2.168 82 G HA2 -0.174 3.786 3.960 0.000 0.000 0.197 82 G HA3 -0.174 3.786 3.960 0.000 0.000 0.197 82 G C 0.169 175.057 174.900 -0.021 0.000 0.997 82 G CA -0.155 44.910 45.100 -0.058 0.000 0.658 82 G HN 0.541 nan 8.290 nan 0.000 0.513 83 A N 0.937 123.746 122.820 -0.017 0.000 2.488 83 A HA 0.610 4.930 4.320 0.000 0.000 0.249 83 A C -1.363 176.268 177.584 0.079 0.000 1.083 83 A CA -0.464 51.601 52.037 0.046 0.000 0.768 83 A CB -0.030 18.996 19.000 0.044 0.000 1.017 83 A HN 0.176 nan 8.150 nan 0.000 0.496 84 P HA 0.013 nan 4.420 nan 0.000 0.264 84 P C 0.630 178.012 177.300 0.138 0.000 1.183 84 P CA 0.055 63.270 63.100 0.191 0.000 0.763 84 P CB 0.591 32.527 31.700 0.393 0.000 0.807 85 E N 3.005 123.229 120.200 0.039 0.000 2.107 85 E HA -0.134 4.216 4.350 0.000 0.000 0.191 85 E C 1.689 178.231 176.600 -0.096 0.000 0.982 85 E CA 1.152 57.540 56.400 -0.021 0.000 0.809 85 E CB -0.110 29.565 29.700 -0.040 0.000 0.756 85 E HN 0.430 nan 8.360 nan 0.000 0.459 86 R N -0.671 119.693 120.500 -0.227 0.000 2.159 86 R HA -0.159 4.181 4.340 0.000 0.000 0.237 86 R C 1.735 177.617 176.300 -0.697 0.000 1.131 86 R CA 1.679 57.443 56.100 -0.560 0.000 0.982 86 R CB -0.143 29.629 30.300 -0.880 0.000 0.868 86 R HN 0.270 nan 8.270 nan 0.000 0.453 87 W N -1.321 119.985 121.300 0.010 0.000 2.952 87 W HA 0.179 4.839 4.660 0.000 0.000 0.251 87 W C 1.599 178.093 176.519 -0.042 0.000 1.144 87 W CA -0.778 56.552 57.345 -0.025 0.000 1.551 87 W CB -0.780 28.738 29.460 0.096 0.000 0.978 87 W HN -0.117 nan 8.180 nan 0.000 0.648 88 L N 2.511 123.938 121.223 0.339 0.000 2.058 88 L HA -0.219 4.121 4.340 0.000 0.000 0.226 88 L C -0.829 176.242 176.870 0.335 0.000 1.089 88 L CA 2.503 57.558 54.840 0.359 0.000 0.799 88 L CB -1.922 40.205 42.059 0.113 0.000 0.900 88 L HN -0.204 nan 8.230 nan 0.000 0.442 89 P HA -0.158 nan 4.420 nan 0.000 0.218 89 P C 1.387 178.694 177.300 0.012 0.000 1.146 89 P CA 1.945 65.150 63.100 0.175 0.000 0.813 89 P CB -0.269 31.463 31.700 0.054 0.000 0.778 90 A N -2.161 120.546 122.820 -0.188 0.000 2.172 90 A HA -0.074 4.246 4.320 0.000 0.000 0.216 90 A C 1.146 178.533 177.584 -0.328 0.000 1.154 90 A CA 1.065 52.886 52.037 -0.360 0.000 0.701 90 A CB -1.285 17.397 19.000 -0.529 0.000 0.789 90 A HN 0.153 nan 8.150 nan 0.000 0.465 91 F N -0.407 119.724 119.950 0.301 0.000 2.682 91 F HA 0.268 4.795 4.527 0.000 0.000 0.308 91 F C 0.774 176.820 175.800 0.410 0.000 1.093 91 F CA -0.944 57.312 58.000 0.426 0.000 1.244 91 F CB -0.142 39.185 39.000 0.545 0.000 1.052 91 F HN 0.188 nan 8.300 nan 0.000 0.573 92 E N 0.729 121.060 120.200 0.218 0.000 2.452 92 E HA 0.295 4.645 4.350 0.000 0.000 0.261 92 E C 1.244 177.834 176.600 -0.017 0.000 0.987 92 E CA 1.060 57.243 56.400 -0.362 0.000 0.926 92 E CB 0.234 29.438 29.700 -0.827 0.000 0.934 92 E HN 0.515 nan 8.360 nan 0.000 0.452 93 G N 2.622 111.396 108.800 -0.044 0.000 2.159 93 G HA2 -0.204 3.756 3.960 0.000 0.000 0.227 93 G HA3 -0.204 3.756 3.960 0.000 0.000 0.227 93 G C 0.658 175.720 174.900 0.271 0.000 0.986 93 G CA 0.003 45.208 45.100 0.176 0.000 0.651 93 G HN 1.447 nan 8.290 nan 0.000 0.523 94 G N -1.386 107.694 108.800 0.467 0.000 2.270 94 G HA2 -0.004 3.956 3.960 0.000 0.000 0.224 94 G HA3 -0.004 3.956 3.960 0.000 0.000 0.224 94 G C 0.102 174.994 174.900 -0.012 0.000 1.079 94 G CA 0.353 45.610 45.100 0.260 0.000 0.807 94 G HN 1.173 nan 8.290 nan 0.000 0.492 95 F N 0.313 120.518 119.950 0.424 0.000 2.835 95 F HA 0.598 5.125 4.527 0.000 0.000 0.342 95 F C 1.247 177.352 175.800 0.509 0.000 1.202 95 F CA -0.377 57.857 58.000 0.389 0.000 1.240 95 F CB 0.824 39.990 39.000 0.278 0.000 1.005 95 F HN 0.458 nan 8.300 nan 0.000 0.507 96 A N 1.311 124.428 122.820 0.494 0.000 2.655 96 A HA 0.576 4.896 4.320 0.000 0.000 0.297 96 A C 0.708 178.280 177.584 -0.020 0.000 1.461 96 A CA 0.573 52.654 52.037 0.073 0.000 1.146 96 A CB -0.928 17.953 19.000 -0.199 0.000 1.108 96 A HN 0.475 nan 8.150 nan 0.000 0.550 97 G N -0.290 108.589 108.800 0.131 0.000 2.720 97 G HA2 0.612 4.572 3.960 0.000 0.000 0.295 97 G HA3 0.612 4.572 3.960 0.000 0.000 0.295 97 G C -1.443 173.596 174.900 0.232 0.000 1.437 97 G CA 0.022 45.203 45.100 0.135 0.000 0.886 97 G HN 1.614 nan 8.290 nan 0.000 0.509 98 V N 0.505 120.510 119.914 0.152 0.000 2.891 98 V HA 0.770 4.890 4.120 0.000 0.000 0.304 98 V C -1.540 174.651 176.094 0.162 0.000 1.171 98 V CA -0.604 61.779 62.300 0.138 0.000 0.943 98 V CB 1.953 33.758 31.823 -0.030 0.000 1.037 98 V HN 0.850 nan 8.190 nan 0.000 0.427 99 V N 6.256 126.248 119.914 0.131 0.000 2.443 99 V HA 0.854 4.974 4.120 0.000 0.000 0.293 99 V C 0.450 176.592 176.094 0.081 0.000 1.021 99 V CA 0.035 62.413 62.300 0.130 0.000 0.848 99 V CB 1.404 33.298 31.823 0.119 0.000 0.998 99 V HN 1.289 nan 8.190 nan 0.000 0.424 100 A N 3.538 126.387 122.820 0.049 0.000 2.301 100 A HA 0.834 5.154 4.320 0.000 0.000 0.312 100 A C 0.097 177.732 177.584 0.085 0.000 1.182 100 A CA -0.350 51.680 52.037 -0.011 0.000 0.826 100 A CB 0.932 19.748 19.000 -0.307 0.000 1.134 100 A HN 0.684 nan 8.150 nan 0.000 0.501 101 T N 2.555 117.230 114.554 0.201 0.000 2.824 101 T HA 0.521 4.871 4.350 0.000 0.000 0.282 101 T C -0.831 174.058 174.700 0.315 0.000 0.993 101 T CA -0.185 62.050 62.100 0.225 0.000 0.967 101 T CB 0.900 69.851 68.868 0.139 0.000 0.960 101 T HN 0.562 nan 8.240 nan 0.000 0.441 102 L N 3.626 125.024 121.223 0.292 0.000 2.316 102 L HA 0.525 4.865 4.340 0.000 0.000 0.280 102 L C -1.059 175.874 176.870 0.104 0.000 1.006 102 L CA -0.617 54.329 54.840 0.176 0.000 0.836 102 L CB 0.913 43.102 42.059 0.217 0.000 1.221 102 L HN 0.502 nan 8.230 nan 0.000 0.418 103 D N 2.551 122.981 120.400 0.050 0.000 2.303 103 D HA 0.168 4.808 4.640 0.000 0.000 0.236 103 D C 0.914 177.212 176.300 -0.003 0.000 1.068 103 D CA -0.196 53.821 54.000 0.028 0.000 0.830 103 D CB 2.119 42.934 40.800 0.024 0.000 1.109 103 D HN 0.660 nan 8.370 nan 0.000 0.496 104 T N 0.461 115.003 114.554 -0.019 0.000 3.129 104 T HA 0.242 4.592 4.350 0.000 0.000 0.251 104 T C 1.511 176.178 174.700 -0.055 0.000 1.117 104 T CA 0.666 62.737 62.100 -0.049 0.000 1.034 104 T CB 0.153 68.967 68.868 -0.089 0.000 0.968 104 T HN 0.590 nan 8.240 nan 0.000 0.526 105 G N 2.201 110.977 108.800 -0.040 0.000 2.480 105 G HA2 -0.351 3.609 3.960 0.000 0.000 0.246 105 G HA3 -0.351 3.609 3.960 0.000 0.000 0.246 105 G C 0.365 175.235 174.900 -0.049 0.000 1.073 105 G CA 0.147 45.225 45.100 -0.036 0.000 0.643 105 G HN 0.676 nan 8.290 nan 0.000 0.525 106 R N 2.566 123.019 120.500 -0.080 0.000 2.351 106 R HA 0.368 4.708 4.340 0.000 0.000 0.318 106 R C -1.961 174.280 176.300 -0.099 0.000 1.055 106 R CA -1.016 55.022 56.100 -0.104 0.000 0.968 106 R CB 0.478 30.676 30.300 -0.170 0.000 0.974 106 R HN 0.305 nan 8.270 nan 0.000 0.439 107 P HA -0.013 nan 4.420 nan 0.000 0.264 107 P C -0.003 177.286 177.300 -0.019 0.000 1.179 107 P CA 0.325 63.411 63.100 -0.022 0.000 0.763 107 P CB 0.939 32.639 31.700 0.001 0.000 0.806 108 G N 2.142 110.962 108.800 0.033 0.000 2.321 108 G HA2 0.332 4.292 3.960 0.000 0.000 0.298 108 G HA3 0.332 4.292 3.960 0.000 0.000 0.298 108 G C -3.352 171.632 174.900 0.140 0.000 1.385 108 G CA -0.896 44.276 45.100 0.119 0.000 0.856 108 G HN 0.445 nan 8.290 nan 0.000 0.584 109 P HA 0.352 nan 4.420 nan 0.000 0.272 109 P C -0.379 176.958 177.300 0.061 0.000 1.240 109 P CA 0.188 63.362 63.100 0.125 0.000 0.791 109 P CB 0.789 32.586 31.700 0.160 0.000 0.978 110 T N 2.100 116.659 114.554 0.009 0.000 2.756 110 T HA 0.408 4.758 4.350 0.000 0.000 0.290 110 T C -0.051 174.614 174.700 -0.058 0.000 0.985 110 T CA -0.296 61.798 62.100 -0.009 0.000 0.955 110 T CB 0.158 69.016 68.868 -0.018 0.000 0.930 110 T HN 0.123 nan 8.240 nan 0.000 0.451 111 L N 3.283 124.463 121.223 -0.072 0.000 2.282 111 L HA 0.720 5.060 4.340 0.000 0.000 0.288 111 L C 0.241 176.914 176.870 -0.330 0.000 1.033 111 L CA -0.428 54.284 54.840 -0.214 0.000 0.807 111 L CB 1.150 43.099 42.059 -0.183 0.000 1.209 111 L HN 0.781 nan 8.230 nan 0.000 0.423 112 A N 3.692 126.229 122.820 -0.471 0.000 2.342 112 A HA 0.865 5.185 4.320 0.000 0.000 0.323 112 A C -1.249 175.850 177.584 -0.809 0.000 1.125 112 A CA -0.336 51.450 52.037 -0.419 0.000 0.785 112 A CB 0.524 19.475 19.000 -0.081 0.000 1.221 112 A HN 0.424 nan 8.150 nan 0.000 0.463 113 F N 1.944 121.775 119.950 -0.199 0.000 2.507 113 F HA 0.667 5.194 4.527 0.000 0.000 0.325 113 F C 0.497 176.098 175.800 -0.332 0.000 1.116 113 F CA -0.554 57.270 58.000 -0.294 0.000 0.930 113 F CB 1.831 40.734 39.000 -0.161 0.000 1.146 113 F HN 0.590 nan 8.300 nan 0.000 0.447 114 R N 2.759 123.107 120.500 -0.255 0.000 2.740 114 R HA 0.880 5.221 4.340 0.000 0.000 0.282 114 R C -1.903 174.274 176.300 -0.205 0.000 0.969 114 R CA -0.684 55.298 56.100 -0.197 0.000 0.918 114 R CB 1.992 32.265 30.300 -0.044 0.000 1.175 114 R HN 0.674 nan 8.270 nan 0.000 0.464 115 V N 0.416 120.176 119.914 -0.257 0.000 3.012 115 V HA 0.542 4.662 4.120 0.000 0.000 0.307 115 V C -0.517 175.489 176.094 -0.146 0.000 1.166 115 V CA -1.018 61.160 62.300 -0.205 0.000 0.974 115 V CB 2.251 33.884 31.823 -0.317 0.000 1.040 115 V HN 0.891 nan 8.190 nan 0.000 0.428 119 A N 0.548 123.291 122.820 -0.128 0.000 2.580 119 A HA 0.802 5.122 4.320 0.000 0.000 0.275 119 A C -0.583 176.959 177.584 -0.070 0.000 1.321 119 A CA -0.836 51.151 52.037 -0.082 0.000 0.924 119 A CB 0.717 19.682 19.000 -0.059 0.000 1.512 119 A HN 0.540 nan 8.150 nan 0.000 0.492 120 L N -0.112 121.099 121.223 -0.020 0.000 2.330 120 L HA 0.403 4.743 4.340 0.000 0.000 0.271 120 L C -1.056 175.814 176.870 -0.001 0.000 1.013 120 L CA -0.785 54.056 54.840 0.001 0.000 0.816 120 L CB 1.817 43.918 42.059 0.070 0.000 1.287 120 L HN 0.641 nan 8.230 nan 0.000 0.435 121 D N 1.870 122.270 120.400 0.001 0.000 2.225 121 D HA 0.373 5.013 4.640 0.000 0.000 0.249 121 D C -0.328 175.980 176.300 0.013 0.000 1.052 121 D CA -0.173 53.830 54.000 0.005 0.000 0.909 121 D CB 1.957 42.761 40.800 0.007 0.000 1.186 121 D HN 0.288 nan 8.370 nan 0.000 0.431 149 G N 0.272 109.176 108.800 0.175 0.000 2.389 149 G HA2 0.483 4.443 3.960 0.000 0.000 0.287 149 G HA3 0.483 4.443 3.960 0.000 0.000 0.287 149 G C 0.133 175.123 174.900 0.151 0.000 1.126 149 G CA 1.010 46.218 45.100 0.180 0.000 1.073 149 G HN 1.009 nan 8.290 nan 0.000 0.429 150 H N 0.705 119.783 119.070 0.014 0.000 1.811 150 H HA -0.024 4.532 4.556 0.000 0.000 0.116 150 H C -0.695 174.513 175.328 -0.199 0.000 0.940 150 H CA -0.310 55.720 56.048 -0.030 0.000 0.424 150 H CB 0.725 30.489 29.762 0.003 0.000 0.324 150 H HN 0.508 nan 8.280 nan 0.000 0.220 151 D N 0.616 120.939 120.400 -0.128 0.000 2.502 151 D HA 0.244 4.884 4.640 0.000 0.000 0.301 151 D C 0.841 176.973 176.300 -0.279 0.000 1.202 151 D CA 0.226 53.926 54.000 -0.500 0.000 0.878 151 D CB 0.836 41.413 40.800 -0.371 0.000 1.062 151 D HN 0.496 nan 8.370 nan 0.000 0.499 152 G N -0.572 108.131 108.800 -0.162 0.000 3.181 152 G HA2 -0.076 3.884 3.960 0.000 0.000 0.219 152 G HA3 -0.076 3.884 3.960 0.000 0.000 0.219 152 G C 0.888 175.876 174.900 0.146 0.000 1.182 152 G CA -0.050 45.083 45.100 0.055 0.000 0.791 152 G HN 0.472 nan 8.290 nan 0.000 0.537 153 H N -0.380 118.691 119.070 0.001 0.000 2.489 153 H HA -0.058 4.498 4.556 0.000 0.000 0.293 153 H C 2.479 177.780 175.328 -0.045 0.000 1.066 153 H CA 1.021 57.045 56.048 -0.041 0.000 1.305 153 H CB 0.279 30.002 29.762 -0.065 0.000 1.386 153 H HN 0.253 nan 8.280 nan 0.000 0.551 154 T N 0.593 115.207 114.554 0.100 0.000 2.821 154 T HA -0.119 4.231 4.350 0.000 0.000 0.267 154 T C 2.411 177.238 174.700 0.213 0.000 1.046 154 T CA 0.890 63.042 62.100 0.088 0.000 1.139 154 T CB -0.250 68.565 68.868 -0.088 0.000 0.871 154 T HN 0.496 nan 8.240 nan 0.000 0.454 155 A N 1.456 124.455 122.820 0.299 0.000 1.877 155 A HA -0.025 4.295 4.320 0.000 0.000 0.216 155 A C 2.245 179.992 177.584 0.272 0.000 1.186 155 A CA 1.223 53.491 52.037 0.385 0.000 0.620 155 A CB -0.820 18.425 19.000 0.410 0.000 0.822 155 A HN 0.526 nan 8.150 nan 0.000 0.443 156 I N -0.161 120.497 120.570 0.147 0.000 2.423 156 I HA -0.228 3.942 4.170 0.000 0.000 0.254 156 I C 2.564 178.683 176.117 0.004 0.000 1.151 156 I CA 0.998 62.323 61.300 0.042 0.000 1.421 156 I CB -0.546 37.416 38.000 -0.063 0.000 1.079 156 I HN 0.423 nan 8.210 nan 0.000 0.431 157 G N 1.066 109.853 108.800 -0.021 0.000 2.402 157 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 157 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 157 G C 1.679 176.638 174.900 0.098 0.000 1.162 157 G CA 0.324 45.351 45.100 -0.122 0.000 0.777 157 G HN 0.257 nan 8.290 nan 0.000 0.539 158 L N 0.793 122.109 121.223 0.155 0.000 2.056 158 L HA 0.050 4.390 4.340 0.000 0.000 0.207 158 L C 3.195 180.205 176.870 0.233 0.000 1.078 158 L CA 0.917 55.766 54.840 0.014 0.000 0.749 158 L CB -0.854 40.881 42.059 -0.540 0.000 0.901 158 L HN 0.313 nan 8.230 nan 0.000 0.433 159 G N 0.750 109.750 108.800 0.333 0.000 2.491 159 G HA2 -0.333 3.627 3.960 0.000 0.000 0.218 159 G HA3 -0.333 3.627 3.960 0.000 0.000 0.218 159 G C 1.573 176.640 174.900 0.280 0.000 1.180 159 G CA 1.091 46.434 45.100 0.406 0.000 0.774 159 G HN 0.251 nan 8.290 nan 0.000 0.562 160 L N 1.471 122.770 121.223 0.125 0.000 2.079 160 L HA 0.102 4.442 4.340 0.000 0.000 0.210 160 L C 3.029 179.978 176.870 0.131 0.000 1.081 160 L CA 2.104 56.973 54.840 0.048 0.000 0.752 160 L CB -0.736 41.243 42.059 -0.134 0.000 0.896 160 L HN 0.261 nan 8.230 nan 0.000 0.433 161 A N -1.228 121.676 122.820 0.140 0.000 1.883 161 A HA -0.250 4.070 4.320 0.000 0.000 0.217 161 A C 2.231 179.988 177.584 0.289 0.000 1.186 161 A CA 1.813 53.951 52.037 0.168 0.000 0.624 161 A CB -0.982 17.996 19.000 -0.037 0.000 0.822 161 A HN 0.677 nan 8.150 nan 0.000 0.444 162 H N -0.680 118.572 119.070 0.303 0.000 2.267 162 H HA -0.117 4.439 4.556 0.000 0.000 0.297 162 H C 2.362 177.917 175.328 0.378 0.000 1.080 162 H CA 1.907 58.161 56.048 0.342 0.000 1.278 162 H CB -0.645 29.337 29.762 0.365 0.000 1.365 162 H HN 0.272 nan 8.280 nan 0.000 0.489 163 V N 1.216 121.464 119.914 0.557 0.000 2.380 163 V HA -0.241 3.879 4.120 0.000 0.000 0.251 163 V C 2.609 178.960 176.094 0.428 0.000 1.063 163 V CA 1.335 63.982 62.300 0.577 0.000 1.055 163 V CB -0.574 31.504 31.823 0.425 0.000 0.657 163 V HN 0.168 nan 8.190 nan 0.000 0.455 164 L N -0.740 120.675 121.223 0.321 0.000 2.275 164 L HA -0.047 4.293 4.340 0.000 0.000 0.215 164 L C 2.277 179.263 176.870 0.195 0.000 1.119 164 L CA 1.620 56.625 54.840 0.275 0.000 0.790 164 L CB -0.772 41.461 42.059 0.290 0.000 0.919 164 L HN 0.254 nan 8.230 nan 0.000 0.443 165 K N -0.947 119.537 120.400 0.139 0.000 2.029 165 K HA 0.010 4.330 4.320 0.000 0.000 0.205 165 K C 1.947 178.509 176.600 -0.063 0.000 1.042 165 K CA 0.615 56.895 56.287 -0.011 0.000 0.949 165 K CB -0.502 31.968 32.500 -0.051 0.000 0.740 165 K HN 0.216 nan 8.250 nan 0.000 0.442 166 Q N 0.204 119.922 119.800 -0.137 0.000 2.096 166 Q HA -0.182 4.158 4.340 0.000 0.000 0.208 166 Q C 1.593 177.299 176.000 -0.489 0.000 0.993 166 Q CA 1.743 57.284 55.803 -0.437 0.000 0.862 166 Q CB -0.355 27.839 28.738 -0.907 0.000 0.915 166 Q HN 0.431 nan 8.270 nan 0.000 0.416 167 Y N -0.443 119.823 120.300 -0.057 0.000 2.532 167 Y HA 0.297 4.847 4.550 0.000 0.000 0.283 167 Y C 1.735 177.648 175.900 0.021 0.000 1.181 167 Y CA 0.043 58.136 58.100 -0.011 0.000 1.256 167 Y CB -0.496 37.981 38.460 0.028 0.000 1.112 167 Y HN 0.077 nan 8.280 nan 0.000 0.521 168 A N 0.903 123.771 122.820 0.078 0.000 1.903 168 A HA -0.297 4.023 4.320 0.000 0.000 0.219 168 A C 2.530 180.140 177.584 0.043 0.000 1.191 168 A CA 2.179 54.249 52.037 0.055 0.000 0.638 168 A CB -1.074 17.916 19.000 -0.017 0.000 0.823 168 A HN 0.480 nan 8.150 nan 0.000 0.451 169 A N -0.925 121.909 122.820 0.024 0.000 1.958 169 A HA -0.276 4.044 4.320 0.000 0.000 0.221 169 A C 2.008 179.606 177.584 0.024 0.000 1.178 169 A CA 1.867 53.910 52.037 0.011 0.000 0.642 169 A CB -0.566 18.439 19.000 0.008 0.000 0.816 169 A HN 0.723 nan 8.150 nan 0.000 0.453 170 Q N -0.876 118.979 119.800 0.092 0.000 2.403 170 Q HA 0.283 4.623 4.340 0.000 0.000 0.203 170 Q C -0.051 176.024 176.000 0.125 0.000 0.932 170 Q CA -0.180 55.694 55.803 0.119 0.000 0.945 170 Q CB 0.001 28.853 28.738 0.190 0.000 1.045 170 Q HN 0.617 nan 8.270 nan 0.000 0.511 171 L N 0.461 121.723 121.223 0.065 0.000 2.431 171 L HA 0.354 4.694 4.340 0.000 0.000 0.260 171 L C 0.195 176.810 176.870 -0.425 0.000 1.098 171 L CA -0.740 54.115 54.840 0.026 0.000 0.800 171 L CB 0.759 42.910 42.059 0.153 0.000 1.210 171 L HN 0.060 nan 8.230 nan 0.000 0.465 172 N N -0.990 117.193 118.700 -0.862 0.000 2.902 172 N HA 0.486 5.226 4.740 0.000 0.000 0.268 172 N C -0.062 175.187 175.510 -0.436 0.000 1.450 172 N CA 0.349 52.866 53.050 -0.887 0.000 0.819 172 N CB 1.630 39.224 38.487 -1.489 0.000 1.540 172 N HN 0.807 nan 8.380 nan 0.000 0.545 173 G N -0.213 108.458 108.800 -0.216 0.000 2.582 173 G HA2 -0.243 3.717 3.960 0.000 0.000 0.288 173 G HA3 -0.243 3.717 3.960 0.000 0.000 0.288 173 G C -0.892 174.013 174.900 0.009 0.000 1.247 173 G CA 0.431 45.517 45.100 -0.024 0.000 0.972 173 G HN 0.590 nan 8.290 nan 0.000 0.557 174 V N 0.912 120.860 119.914 0.056 0.000 2.789 174 V HA 0.650 4.770 4.120 0.000 0.000 0.311 174 V C -0.097 176.060 176.094 0.105 0.000 1.073 174 V CA -0.837 61.507 62.300 0.072 0.000 0.921 174 V CB 1.863 33.719 31.823 0.055 0.000 1.009 174 V HN 0.714 nan 8.190 nan 0.000 0.426 175 I N 3.469 124.130 120.570 0.151 0.000 2.433 175 I HA 0.572 4.742 4.170 0.000 0.000 0.292 175 I C -0.120 176.109 176.117 0.188 0.000 1.001 175 I CA -0.761 60.659 61.300 0.200 0.000 1.119 175 I CB 1.752 39.937 38.000 0.309 0.000 1.289 175 I HN 0.590 nan 8.210 nan 0.000 0.438 176 K N 6.699 127.182 120.400 0.137 0.000 2.324 176 K HA 0.688 5.008 4.320 0.000 0.000 0.253 176 K C -1.183 175.489 176.600 0.120 0.000 0.932 176 K CA -0.789 55.566 56.287 0.114 0.000 0.799 176 K CB 2.952 35.495 32.500 0.072 0.000 1.154 176 K HN 0.430 nan 8.250 nan 0.000 0.425 177 L N 4.542 125.822 121.223 0.094 0.000 2.325 177 L HA 0.547 4.887 4.340 0.000 0.000 0.281 177 L C -0.406 176.520 176.870 0.093 0.000 1.004 177 L CA -0.825 54.058 54.840 0.072 0.000 0.823 177 L CB 1.083 43.163 42.059 0.036 0.000 1.236 177 L HN 0.448 nan 8.230 nan 0.000 0.415 178 I N 2.915 123.480 120.570 -0.008 0.000 2.362 178 I HA 0.328 4.498 4.170 0.000 0.000 0.289 178 I C -0.906 175.147 176.117 -0.108 0.000 0.994 178 I CA -0.286 61.040 61.300 0.043 0.000 1.158 178 I CB 1.282 39.326 38.000 0.074 0.000 1.315 178 I HN 0.345 nan 8.210 nan 0.000 0.451 179 F N 4.975 124.896 119.950 -0.047 0.000 2.308 179 F HA 0.347 4.874 4.527 0.000 0.000 0.370 179 F C 0.497 176.247 175.800 -0.085 0.000 1.100 179 F CA -0.408 57.538 58.000 -0.091 0.000 1.108 179 F CB 0.998 39.908 39.000 -0.150 0.000 1.293 179 F HN 0.460 nan 8.300 nan 0.000 0.478 180 Q N 6.175 125.979 119.800 0.006 0.000 2.241 180 Q HA 0.416 4.756 4.340 0.000 0.000 0.254 180 Q C -2.597 173.323 176.000 -0.133 0.000 0.917 180 Q CA -1.957 53.821 55.803 -0.041 0.000 0.919 180 Q CB 2.065 30.777 28.738 -0.043 0.000 1.237 180 Q HN 0.246 nan 8.270 nan 0.000 0.434 181 P HA 0.190 nan 4.420 nan 0.000 0.284 181 P C -1.035 175.919 177.300 -0.577 0.000 1.287 181 P CA 0.009 62.887 63.100 -0.370 0.000 0.824 181 P CB 0.774 32.261 31.700 -0.355 0.000 1.180 182 A N 0.240 122.632 122.820 -0.712 0.000 2.462 182 A HA -0.207 4.113 4.320 0.000 0.000 0.294 182 A C 1.474 178.763 177.584 -0.490 0.000 1.461 182 A CA 1.135 52.700 52.037 -0.787 0.000 0.765 182 A CB -1.985 16.044 19.000 -1.619 0.000 1.071 182 A HN 0.677 nan 8.150 nan 0.000 0.401 183 E N 0.110 120.113 120.200 -0.328 0.000 2.112 183 E HA -0.095 4.255 4.350 0.000 0.000 0.190 183 E C 0.629 177.106 176.600 -0.204 0.000 0.979 183 E CA 0.901 57.166 56.400 -0.223 0.000 0.814 183 E CB 0.063 29.671 29.700 -0.152 0.000 0.762 183 E HN 0.779 nan 8.360 nan 0.000 0.460 184 E N -0.560 119.511 120.200 -0.215 0.000 2.415 184 E HA 0.217 4.567 4.350 0.000 0.000 0.263 184 E C 0.501 177.017 176.600 -0.140 0.000 0.995 184 E CA 1.228 57.527 56.400 -0.168 0.000 0.915 184 E CB 0.308 29.916 29.700 -0.155 0.000 0.951 184 E HN 0.370 nan 8.360 nan 0.000 0.449 185 G N 2.984 111.728 108.800 -0.094 0.000 2.159 185 G HA2 -0.357 3.603 3.960 0.000 0.000 0.256 185 G HA3 -0.357 3.603 3.960 0.000 0.000 0.256 185 G C 0.362 175.220 174.900 -0.071 0.000 0.977 185 G CA 1.057 46.118 45.100 -0.065 0.000 0.652 185 G HN 1.512 nan 8.290 nan 0.000 0.531 186 T N -3.056 111.436 114.554 -0.104 0.000 3.506 186 T HA -0.279 4.071 4.350 0.000 0.000 0.407 186 T C 1.064 175.720 174.700 -0.073 0.000 0.766 186 T CA 2.154 64.192 62.100 -0.104 0.000 2.070 186 T CB -1.544 67.269 68.868 -0.092 0.000 1.712 186 T HN 0.996 nan 8.240 nan 0.000 0.692 187 R N 0.043 120.481 120.500 -0.103 0.000 2.310 187 R HA 0.305 4.645 4.340 0.000 0.000 0.199 187 R C 2.769 179.071 176.300 0.004 0.000 0.891 187 R CA 0.363 56.465 56.100 0.003 0.000 1.060 187 R CB -0.234 30.127 30.300 0.102 0.000 1.188 187 R HN 0.486 nan 8.270 nan 0.000 0.607 188 G N 1.221 109.853 108.800 -0.279 0.000 2.396 188 G HA2 -0.166 3.794 3.960 0.000 0.000 0.214 188 G HA3 -0.166 3.794 3.960 0.000 0.000 0.214 188 G C 1.577 176.446 174.900 -0.051 0.000 1.166 188 G CA 0.725 45.661 45.100 -0.274 0.000 0.793 188 G HN 0.306 nan 8.290 nan 0.000 0.533 189 A N 1.129 123.909 122.820 -0.066 0.000 1.884 189 A HA -0.183 4.137 4.320 0.000 0.000 0.219 189 A C 2.309 179.892 177.584 -0.002 0.000 1.197 189 A CA 2.209 54.228 52.037 -0.029 0.000 0.637 189 A CB -0.632 18.338 19.000 -0.051 0.000 0.827 189 A HN 0.380 nan 8.150 nan 0.000 0.450 190 R N -0.031 120.472 120.500 0.005 0.000 2.103 190 R HA -0.083 4.257 4.340 0.000 0.000 0.242 190 R C 1.374 177.704 176.300 0.049 0.000 1.142 190 R CA 1.171 57.281 56.100 0.016 0.000 0.960 190 R CB -0.599 29.713 30.300 0.019 0.000 0.858 190 R HN 0.546 nan 8.270 nan 0.000 0.439 194 A N 0.431 123.264 122.820 0.020 0.000 2.019 194 A HA 0.116 4.437 4.320 0.000 0.000 0.219 194 A C 1.983 179.588 177.584 0.036 0.000 1.164 194 A CA 2.302 54.353 52.037 0.024 0.000 0.644 194 A CB -0.389 18.631 19.000 0.033 0.000 0.805 194 A HN 0.988 nan 8.150 nan 0.000 0.449 195 A N -1.920 120.932 122.820 0.053 0.000 2.208 195 A HA 0.402 4.722 4.320 0.000 0.000 0.209 195 A C 1.826 179.436 177.584 0.044 0.000 1.161 195 A CA 1.223 53.298 52.037 0.062 0.000 0.782 195 A CB -0.794 18.262 19.000 0.095 0.000 0.816 195 A HN 1.843 nan 8.150 nan 0.000 0.477 196 G N -1.732 107.084 108.800 0.028 0.000 2.141 196 G HA2 -0.273 3.687 3.960 0.000 0.000 0.242 196 G HA3 -0.273 3.687 3.960 0.000 0.000 0.242 196 G C 0.924 175.835 174.900 0.019 0.000 0.982 196 G CA 0.463 45.572 45.100 0.015 0.000 0.662 196 G HN 0.634 nan 8.290 nan 0.000 0.527 197 V N 0.218 120.152 119.914 0.034 0.000 2.453 197 V HA -0.202 3.918 4.120 0.000 0.000 0.252 197 V C 2.572 178.687 176.094 0.034 0.000 1.068 197 V CA 2.528 64.856 62.300 0.047 0.000 1.070 197 V CB -0.197 31.668 31.823 0.070 0.000 0.664 197 V HN 1.351 nan 8.190 nan 0.000 0.461 198 V N -4.065 115.849 119.914 -0.000 0.000 3.085 198 V HA 0.333 4.453 4.120 0.000 0.000 0.345 198 V C 1.083 177.146 176.094 -0.051 0.000 1.397 198 V CA 0.077 62.364 62.300 -0.022 0.000 1.165 198 V CB 0.196 31.966 31.823 -0.088 0.000 1.153 198 V HN 0.296 nan 8.190 nan 0.000 0.495 199 D N 2.565 122.944 120.400 -0.035 0.000 2.312 199 D HA -0.062 4.578 4.640 0.000 0.000 0.211 199 D C 1.240 177.513 176.300 -0.044 0.000 0.964 199 D CA 1.662 55.636 54.000 -0.043 0.000 0.877 199 D CB 0.172 40.956 40.800 -0.028 0.000 0.924 199 D HN 0.861 nan 8.370 nan 0.000 0.515 200 D N -0.050 120.330 120.400 -0.033 0.000 2.501 200 D HA 0.010 4.650 4.640 0.000 0.000 0.226 200 D C 0.037 176.307 176.300 -0.050 0.000 1.198 200 D CA -0.199 53.780 54.000 -0.035 0.000 0.830 200 D CB 0.222 41.013 40.800 -0.014 0.000 1.014 200 D HN -0.153 nan 8.370 nan 0.000 0.496 201 V N 1.367 121.241 119.914 -0.067 0.000 2.439 201 V HA 0.132 4.252 4.120 0.000 0.000 0.282 201 V C 0.822 176.804 176.094 -0.188 0.000 1.039 201 V CA -0.432 61.815 62.300 -0.089 0.000 0.913 201 V CB 2.007 33.815 31.823 -0.025 0.000 0.983 201 V HN 0.016 nan 8.190 nan 0.000 0.460 202 D N 2.401 122.636 120.400 -0.275 0.000 2.262 202 D HA 0.058 4.698 4.640 0.000 0.000 0.212 202 D C -0.448 175.249 176.300 -1.005 0.000 0.964 202 D CA 1.357 55.017 54.000 -0.567 0.000 0.875 202 D CB 0.529 41.018 40.800 -0.520 0.000 0.996 202 D HN 0.561 nan 8.370 nan 0.000 0.497 203 Y N -0.237 119.800 120.300 -0.438 0.000 2.329 203 Y HA 0.331 4.881 4.550 0.000 0.000 0.328 203 Y C -0.848 174.736 175.900 -0.527 0.000 0.992 203 Y CA -1.065 56.562 58.100 -0.790 0.000 1.151 203 Y CB 1.330 39.019 38.460 -1.285 0.000 1.150 203 Y HN -0.257 nan 8.280 nan 0.000 0.450 204 F N 2.478 122.176 119.950 -0.419 0.000 2.469 204 F HA 0.780 5.307 4.527 0.000 0.000 0.332 204 F C -0.456 175.356 175.800 0.020 0.000 1.103 204 F CA -0.289 57.590 58.000 -0.201 0.000 0.979 204 F CB 1.497 40.415 39.000 -0.137 0.000 1.137 204 F HN 0.373 nan 8.300 nan 0.000 0.463 205 T N 5.137 119.294 114.554 -0.662 0.000 3.011 205 T HA 0.680 5.030 4.350 0.000 0.000 0.303 205 T C -1.000 173.405 174.700 -0.492 0.000 0.997 205 T CA -0.552 61.427 62.100 -0.201 0.000 1.007 205 T CB 1.196 70.206 68.868 0.236 0.000 1.017 205 T HN 0.777 nan 8.240 nan 0.000 0.443 206 A N 3.800 126.450 122.820 -0.284 0.000 2.324 206 A HA 0.931 5.251 4.320 0.000 0.000 0.330 206 A C 0.013 177.319 177.584 -0.463 0.000 1.165 206 A CA -0.883 50.961 52.037 -0.320 0.000 0.813 206 A CB 0.359 19.326 19.000 -0.056 0.000 1.197 206 A HN 0.955 nan 8.150 nan 0.000 0.484 207 I N -0.935 119.404 120.570 -0.385 0.000 2.982 207 I HA 0.900 5.070 4.170 0.000 0.000 0.312 207 I C -0.486 175.416 176.117 -0.357 0.000 1.041 207 I CA -0.841 60.291 61.300 -0.280 0.000 1.053 207 I CB 2.144 40.105 38.000 -0.066 0.000 1.248 207 I HN 0.796 nan 8.210 nan 0.000 0.471 208 H N 2.576 121.471 119.070 -0.291 0.000 3.140 208 H HA 0.447 5.003 4.556 0.000 0.000 0.336 208 H C -1.668 173.669 175.328 0.015 0.000 1.142 208 H CA -0.636 55.234 56.048 -0.297 0.000 1.308 208 H CB 1.587 31.442 29.762 0.155 0.000 1.970 208 H HN 0.580 nan 8.280 nan 0.000 0.521 209 I N 4.321 124.643 120.570 -0.414 0.000 2.241 209 I HA 0.225 4.395 4.170 0.000 0.000 0.294 209 I C 1.066 177.191 176.117 0.014 0.000 1.145 209 I CA 0.228 61.511 61.300 -0.028 0.000 1.261 209 I CB -0.082 37.964 38.000 0.077 0.000 1.475 209 I HN 0.806 nan 8.210 nan 0.000 0.533 210 G N 4.251 113.193 108.800 0.236 0.000 2.428 210 G HA2 0.180 4.140 3.960 0.000 0.000 0.293 210 G HA3 0.180 4.140 3.960 0.000 0.000 0.293 210 G C 0.930 175.936 174.900 0.177 0.000 1.059 210 G CA -0.195 45.095 45.100 0.317 0.000 1.194 210 G HN 0.596 nan 8.290 nan 0.000 0.435 211 T N 2.625 117.274 114.554 0.159 0.000 2.904 211 T HA -0.057 4.293 4.350 0.000 0.000 0.267 211 T C 2.385 177.128 174.700 0.072 0.000 1.059 211 T CA 1.299 63.452 62.100 0.088 0.000 1.137 211 T CB 0.103 69.002 68.868 0.053 0.000 0.879 211 T HN 0.524 nan 8.240 nan 0.000 0.467 212 G N 0.994 109.846 108.800 0.087 0.000 3.026 212 G HA2 0.294 4.254 3.960 0.000 0.000 0.208 212 G HA3 0.294 4.254 3.960 0.000 0.000 0.208 212 G C 0.217 175.146 174.900 0.048 0.000 1.169 212 G CA -0.075 45.059 45.100 0.057 0.000 0.788 212 G HN 0.363 nan 8.290 nan 0.000 0.533 213 V N 0.542 120.493 119.914 0.062 0.000 2.581 213 V HA 0.325 4.445 4.120 0.000 0.000 0.303 213 V C -2.250 173.867 176.094 0.038 0.000 1.041 213 V CA -2.263 60.064 62.300 0.045 0.000 0.907 213 V CB 2.336 34.194 31.823 0.058 0.000 0.994 213 V HN -0.096 nan 8.190 nan 0.000 0.442 214 P HA 0.061 nan 4.420 nan 0.000 0.261 214 P C -0.275 177.040 177.300 0.026 0.000 1.183 214 P CA 0.286 63.397 63.100 0.017 0.000 0.761 214 P CB 0.300 32.004 31.700 0.006 0.000 0.785 215 A N 4.101 126.936 122.820 0.026 0.000 2.522 215 A HA 0.418 4.738 4.320 0.000 0.000 0.256 215 A C 1.587 179.187 177.584 0.027 0.000 1.086 215 A CA 0.897 52.953 52.037 0.031 0.000 0.763 215 A CB -1.253 17.760 19.000 0.021 0.000 1.024 215 A HN 0.849 nan 8.150 nan 0.000 0.502 216 G N 2.210 111.034 108.800 0.040 0.000 2.218 216 G HA2 -0.170 3.790 3.960 0.000 0.000 0.216 216 G HA3 -0.170 3.790 3.960 0.000 0.000 0.216 216 G C 0.427 175.345 174.900 0.030 0.000 0.994 216 G CA 0.277 45.397 45.100 0.033 0.000 0.637 216 G HN 1.101 nan 8.290 nan 0.000 0.505 217 T N 0.540 115.108 114.554 0.024 0.000 2.928 217 T HA 0.630 4.980 4.350 0.000 0.000 0.284 217 T C -0.261 174.426 174.700 -0.022 0.000 1.008 217 T CA -0.100 61.998 62.100 -0.003 0.000 1.057 217 T CB 2.543 71.405 68.868 -0.011 0.000 1.018 217 T HN 0.692 nan 8.240 nan 0.000 0.493 218 V N 2.647 122.511 119.914 -0.082 0.000 2.524 218 V HA 0.310 4.430 4.120 0.000 0.000 0.297 218 V C -0.373 175.594 176.094 -0.212 0.000 1.035 218 V CA -0.909 61.261 62.300 -0.217 0.000 0.867 218 V CB 1.860 33.526 31.823 -0.262 0.000 1.004 218 V HN 0.716 nan 8.190 nan 0.000 0.426 219 V N 3.773 123.558 119.914 -0.215 0.000 2.432 219 V HA 0.118 4.238 4.120 0.000 0.000 0.271 219 V C 0.885 176.884 176.094 -0.158 0.000 1.046 219 V CA -0.105 62.111 62.300 -0.140 0.000 0.945 219 V CB 1.061 32.836 31.823 -0.080 0.000 0.992 219 V HN 1.106 nan 8.190 nan 0.000 0.471 220 C N 3.340 122.567 119.300 -0.121 0.000 2.697 220 C HA 0.369 4.829 4.460 0.000 0.000 0.267 220 C C 1.466 176.452 174.990 -0.007 0.000 1.278 220 C CA 0.180 59.136 59.018 -0.103 0.000 1.708 220 C CB -0.740 26.923 27.740 -0.128 0.000 1.860 220 C HN 1.008 nan 8.230 nan 0.000 0.589 221 G N 0.407 109.214 108.800 0.011 0.000 4.332 221 G HA2 0.479 4.439 3.960 0.000 0.000 0.321 221 G HA3 0.479 4.439 3.960 0.000 0.000 0.321 221 G C 0.227 175.152 174.900 0.042 0.000 1.439 221 G CA -0.072 45.063 45.100 0.060 0.000 0.900 221 G HN 0.376 nan 8.290 nan 0.000 0.515 222 G N 1.388 110.249 108.800 0.100 0.000 2.307 222 G HA2 0.366 4.326 3.960 0.000 0.000 0.271 222 G HA3 0.366 4.326 3.960 0.000 0.000 0.271 222 G C 0.559 175.386 174.900 -0.122 0.000 1.191 222 G CA 0.259 45.326 45.100 -0.054 0.000 1.024 222 G HN 0.514 nan 8.290 nan 0.000 0.441 223 D N 0.746 121.012 120.400 -0.223 0.000 2.500 223 D HA -0.065 4.575 4.640 0.000 0.000 0.217 223 D C 0.726 176.879 176.300 -0.245 0.000 1.159 223 D CA -0.337 53.575 54.000 -0.147 0.000 0.828 223 D CB -0.286 40.475 40.800 -0.064 0.000 1.039 223 D HN 0.430 nan 8.370 nan 0.000 0.512 224 N N -0.111 118.298 118.700 -0.484 0.000 2.466 224 N HA 0.110 4.850 4.740 0.000 0.000 0.211 224 N C -0.688 174.557 175.510 -0.442 0.000 1.256 224 N CA 0.013 52.803 53.050 -0.434 0.000 0.840 224 N CB 0.004 38.225 38.487 -0.443 0.000 1.079 224 N HN 0.030 nan 8.380 nan 0.000 0.466 228 T N -0.253 114.284 114.554 -0.028 0.000 2.802 228 T HA 0.766 5.116 4.350 0.000 0.000 0.311 228 T C -1.428 173.235 174.700 -0.061 0.000 1.405 228 T CA 0.283 62.367 62.100 -0.025 0.000 1.016 228 T CB 1.836 70.692 68.868 -0.019 0.000 1.352 228 T HN 1.291 nan 8.240 nan 0.000 0.498 229 T N 4.009 118.531 114.554 -0.053 0.000 2.928 229 T HA 0.594 4.944 4.350 0.000 0.000 0.296 229 T C -1.216 173.499 174.700 0.024 0.000 1.000 229 T CA -0.961 61.065 62.100 -0.123 0.000 0.989 229 T CB 1.345 69.982 68.868 -0.386 0.000 1.005 229 T HN 0.443 nan 8.240 nan 0.000 0.442 230 K N 3.198 123.612 120.400 0.023 0.000 2.182 230 K HA 0.765 5.085 4.320 0.000 0.000 0.262 230 K C -0.723 175.987 176.600 0.184 0.000 0.957 230 K CA -0.777 55.540 56.287 0.050 0.000 0.842 230 K CB 1.619 34.120 32.500 0.002 0.000 1.099 230 K HN 0.753 nan 8.250 nan 0.000 0.438 231 F N -1.516 118.441 119.950 0.011 0.000 2.688 231 F HA 0.452 4.979 4.527 0.000 0.000 0.308 231 F C -1.408 174.426 175.800 0.056 0.000 1.117 231 F CA -1.141 56.886 58.000 0.045 0.000 0.976 231 F CB 1.336 40.405 39.000 0.115 0.000 1.291 231 F HN 0.190 nan 8.300 nan 0.000 0.439 232 D N 1.750 122.253 120.400 0.172 0.000 2.198 232 D HA 0.683 5.323 4.640 0.000 0.000 0.247 232 D C -1.031 175.381 176.300 0.187 0.000 1.010 232 D CA -0.397 53.650 54.000 0.079 0.000 0.880 232 D CB 2.494 43.329 40.800 0.058 0.000 1.209 232 D HN 0.533 nan 8.370 nan 0.000 0.451 233 V N 1.883 121.864 119.914 0.111 0.000 2.483 233 V HA 0.360 4.480 4.120 0.000 0.000 0.297 233 V C -0.537 175.518 176.094 -0.065 0.000 1.027 233 V CA -0.794 61.526 62.300 0.032 0.000 0.855 233 V CB 1.646 33.474 31.823 0.008 0.000 0.995 233 V HN 0.348 nan 8.190 nan 0.000 0.424 234 Q N 3.469 123.198 119.800 -0.118 0.000 2.307 234 Q HA 0.639 4.979 4.340 0.000 0.000 0.262 234 Q C -1.669 174.236 176.000 -0.158 0.000 0.961 234 Q CA -0.139 55.632 55.803 -0.054 0.000 0.882 234 Q CB 1.395 30.131 28.738 -0.004 0.000 1.264 234 Q HN 0.546 nan 8.270 nan 0.000 0.446 235 F N 1.426 121.430 119.950 0.089 0.000 2.458 235 F HA 0.578 5.105 4.527 0.000 0.000 0.336 235 F C -0.096 175.739 175.800 0.058 0.000 1.114 235 F CA -0.453 57.601 58.000 0.090 0.000 0.987 235 F CB 2.191 41.225 39.000 0.057 0.000 1.130 235 F HN 0.394 nan 8.300 nan 0.000 0.458 236 S N 1.475 117.319 115.700 0.240 0.000 2.532 236 S HA 0.698 5.168 4.470 0.000 0.000 0.299 236 S C -0.018 174.663 174.600 0.135 0.000 1.105 236 S CA -0.871 57.413 58.200 0.141 0.000 1.018 236 S CB 1.708 64.956 63.200 0.080 0.000 1.021 236 S HN 0.882 nan 8.310 nan 0.000 0.483 237 G N 1.864 110.722 108.800 0.097 0.000 4.465 237 G HA2 0.463 4.423 3.960 0.000 0.000 0.330 237 G HA3 0.463 4.423 3.960 0.000 0.000 0.330 237 G C -0.408 174.523 174.900 0.051 0.000 1.475 237 G CA -0.415 44.735 45.100 0.082 0.000 0.955 237 G HN 0.615 nan 8.290 nan 0.000 0.516 238 V N 1.670 121.607 119.914 0.039 0.000 2.599 238 V HA 0.377 4.497 4.120 0.000 0.000 0.300 238 V C 1.299 177.398 176.094 0.009 0.000 1.034 238 V CA -0.245 62.066 62.300 0.019 0.000 1.115 238 V CB 0.631 32.458 31.823 0.006 0.000 0.934 238 V HN 0.807 nan 8.190 nan 0.000 0.485 239 A N 4.459 127.284 122.820 0.009 0.000 2.565 239 A HA 0.414 4.734 4.320 0.000 0.000 0.237 239 A C 1.609 179.169 177.584 -0.040 0.000 1.053 239 A CA 0.399 52.439 52.037 0.006 0.000 0.755 239 A CB 0.110 19.123 19.000 0.022 0.000 0.980 239 A HN 1.418 nan 8.150 nan 0.000 0.506 240 A N 2.139 124.920 122.820 -0.064 0.000 2.019 240 A HA 0.080 4.400 4.320 0.000 0.000 0.219 240 A C 0.950 178.216 177.584 -0.530 0.000 1.164 240 A CA 1.410 53.310 52.037 -0.228 0.000 0.644 240 A CB -0.325 18.589 19.000 -0.143 0.000 0.805 240 A HN 0.886 nan 8.150 nan 0.000 0.449 241 H N -3.431 115.650 119.070 0.019 0.000 3.037 241 H HA 0.541 5.097 4.556 0.000 0.000 0.355 241 H C -0.096 175.241 175.328 0.015 0.000 1.263 241 H CA -0.531 55.526 56.048 0.016 0.000 1.129 241 H CB 1.260 31.030 29.762 0.014 0.000 1.861 241 H HN 0.261 nan 8.280 nan 0.000 0.546 242 A N -0.107 122.803 122.820 0.150 0.000 2.280 242 A HA 0.538 4.858 4.320 0.000 0.000 0.268 242 A C 1.297 178.926 177.584 0.075 0.000 1.111 242 A CA 0.714 52.802 52.037 0.084 0.000 0.814 242 A CB -0.365 18.672 19.000 0.062 0.000 1.093 242 A HN 1.193 nan 8.150 nan 0.000 0.498 243 G N -1.885 106.944 108.800 0.048 0.000 2.259 243 G HA2 0.229 4.189 3.960 0.000 0.000 0.217 243 G HA3 0.229 4.189 3.960 0.000 0.000 0.217 243 G C 1.637 176.557 174.900 0.034 0.000 1.001 243 G CA 0.814 45.936 45.100 0.036 0.000 0.627 243 G HN 2.696 nan 8.290 nan 0.000 0.501 244 G N 0.263 109.088 108.800 0.041 0.000 2.198 244 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 244 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 244 G C 0.157 175.078 174.900 0.034 0.000 1.042 244 G CA 1.189 46.310 45.100 0.035 0.000 0.791 244 G HN 1.003 nan 8.290 nan 0.000 0.502 245 K N 0.640 121.065 120.400 0.041 0.000 2.339 245 K HA 0.254 4.574 4.320 0.000 0.000 0.286 245 K C -0.696 175.928 176.600 0.040 0.000 1.050 245 K CA -1.196 55.113 56.287 0.037 0.000 0.956 245 K CB 1.538 34.061 32.500 0.037 0.000 0.990 245 K HN 0.064 nan 8.250 nan 0.000 0.475 246 P HA -0.284 nan 4.420 nan 0.000 0.217 246 P C 0.719 178.044 177.300 0.042 0.000 1.148 246 P CA 1.560 64.681 63.100 0.035 0.000 0.834 246 P CB 0.183 31.900 31.700 0.028 0.000 0.783 247 E N -0.453 119.772 120.200 0.042 0.000 2.472 247 E HA -0.144 4.206 4.350 0.000 0.000 0.200 247 E C 0.803 177.441 176.600 0.063 0.000 1.046 247 E CA 0.819 57.247 56.400 0.046 0.000 0.871 247 E CB -0.630 29.095 29.700 0.041 0.000 0.806 247 E HN 0.282 nan 8.360 nan 0.000 0.533 248 D N 1.106 121.548 120.400 0.070 0.000 2.407 248 D HA 0.104 4.745 4.640 0.000 0.000 0.208 248 D C 0.706 177.040 176.300 0.057 0.000 1.083 248 D CA 0.287 54.336 54.000 0.081 0.000 0.844 248 D CB 0.515 41.383 40.800 0.114 0.000 0.967 248 D HN 0.187 nan 8.370 nan 0.000 0.506 249 G N 0.713 109.545 108.800 0.055 0.000 2.527 249 G HA2 0.285 4.245 3.960 0.000 0.000 0.248 249 G HA3 0.285 4.245 3.960 0.000 0.000 0.248 249 G C 0.082 175.023 174.900 0.068 0.000 1.231 249 G CA -0.296 44.835 45.100 0.052 0.000 0.838 249 G HN -0.086 nan 8.290 nan 0.000 0.570 250 R N 1.659 122.201 120.500 0.070 0.000 2.545 250 R HA 0.165 4.505 4.340 0.000 0.000 0.289 250 R C -0.582 175.764 176.300 0.076 0.000 1.327 250 R CA -0.959 55.205 56.100 0.106 0.000 1.040 250 R CB 0.906 31.263 30.300 0.094 0.000 1.176 250 R HN 0.571 nan 8.270 nan 0.000 0.518 251 N N 2.108 120.851 118.700 0.072 0.000 2.400 251 N HA 0.010 4.750 4.740 0.000 0.000 0.278 251 N C 0.877 176.223 175.510 -0.274 0.000 1.247 251 N CA 0.161 53.156 53.050 -0.092 0.000 0.970 251 N CB 1.067 39.478 38.487 -0.125 0.000 1.312 251 N HN 0.594 nan 8.380 nan 0.000 0.488 252 A N 4.507 127.234 122.820 -0.155 0.000 1.969 252 A HA -0.128 4.192 4.320 0.000 0.000 0.218 252 A C 2.157 179.547 177.584 -0.322 0.000 1.169 252 A CA 0.724 52.656 52.037 -0.176 0.000 0.635 252 A CB -0.310 18.691 19.000 0.002 0.000 0.810 252 A HN 0.734 nan 8.150 nan 0.000 0.445 253 L N -0.497 120.572 121.223 -0.256 0.000 1.994 253 L HA -0.128 4.212 4.340 0.000 0.000 0.208 253 L C 2.366 179.022 176.870 -0.356 0.000 1.071 253 L CA 1.471 56.166 54.840 -0.242 0.000 0.745 253 L CB -0.256 41.713 42.059 -0.150 0.000 0.892 253 L HN 0.402 nan 8.230 nan 0.000 0.431 254 L N -0.210 120.733 121.223 -0.467 0.000 2.131 254 L HA -0.194 4.146 4.340 0.000 0.000 0.210 254 L C 2.829 179.251 176.870 -0.746 0.000 1.092 254 L CA 1.029 55.535 54.840 -0.558 0.000 0.759 254 L CB -0.852 40.842 42.059 -0.608 0.000 0.903 254 L HN 0.383 nan 8.230 nan 0.000 0.435 255 A N 0.098 122.299 122.820 -1.032 0.000 1.902 255 A HA -0.147 4.173 4.320 0.000 0.000 0.217 255 A C 2.519 179.669 177.584 -0.723 0.000 1.181 255 A CA 1.729 53.322 52.037 -0.739 0.000 0.623 255 A CB -0.603 18.026 19.000 -0.619 0.000 0.818 255 A HN 0.396 nan 8.150 nan 0.000 0.443 256 A N -0.350 121.962 122.820 -0.847 0.000 1.968 256 A HA 0.277 4.597 4.320 0.000 0.000 0.217 256 A C 2.457 179.885 177.584 -0.260 0.000 1.169 256 A CA 1.714 53.371 52.037 -0.634 0.000 0.638 256 A CB -0.874 17.901 19.000 -0.375 0.000 0.812 256 A HN 0.962 nan 8.150 nan 0.000 0.446 257 A N -0.394 122.281 122.820 -0.241 0.000 1.877 257 A HA -0.224 4.096 4.320 0.000 0.000 0.216 257 A C 2.123 179.655 177.584 -0.086 0.000 1.186 257 A CA 1.617 53.573 52.037 -0.134 0.000 0.620 257 A CB -0.594 18.326 19.000 -0.133 0.000 0.822 257 A HN 0.608 nan 8.150 nan 0.000 0.443 258 Q N -0.731 119.016 119.800 -0.088 0.000 2.167 258 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 258 Q C 2.419 178.421 176.000 0.003 0.000 0.970 258 Q CA 1.135 56.933 55.803 -0.009 0.000 0.855 258 Q CB -0.360 28.416 28.738 0.064 0.000 0.911 258 Q HN 0.693 nan 8.270 nan 0.000 0.438 259 A N 1.587 124.390 122.820 -0.029 0.000 1.858 259 A HA -0.126 4.194 4.320 0.000 0.000 0.216 259 A C 2.405 180.039 177.584 0.082 0.000 1.190 259 A CA 1.690 53.757 52.037 0.050 0.000 0.617 259 A CB -0.904 18.159 19.000 0.103 0.000 0.827 259 A HN 0.382 nan 8.150 nan 0.000 0.443 260 A N -0.108 122.749 122.820 0.061 0.000 1.903 260 A HA -0.175 4.145 4.320 0.000 0.000 0.219 260 A C 2.205 179.856 177.584 0.112 0.000 1.191 260 A CA 1.827 53.921 52.037 0.095 0.000 0.638 260 A CB -0.776 18.239 19.000 0.026 0.000 0.823 260 A HN 0.510 nan 8.150 nan 0.000 0.451 261 L N -1.077 120.177 121.223 0.051 0.000 2.017 261 L HA -0.125 4.215 4.340 0.000 0.000 0.208 261 L C 2.912 179.837 176.870 0.092 0.000 1.073 261 L CA 1.248 56.120 54.840 0.054 0.000 0.745 261 L CB -1.237 40.837 42.059 0.024 0.000 0.894 261 L HN 0.510 nan 8.230 nan 0.000 0.432 262 G N 0.473 109.319 108.800 0.077 0.000 2.446 262 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 262 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 262 G C 1.656 176.608 174.900 0.088 0.000 1.168 262 G CA 0.672 45.816 45.100 0.072 0.000 0.771 262 G HN 0.191 nan 8.290 nan 0.000 0.551 263 L N -0.446 120.844 121.223 0.111 0.000 1.990 263 L HA -0.183 4.157 4.340 0.000 0.000 0.213 263 L C 2.687 179.595 176.870 0.063 0.000 1.072 263 L CA 1.539 56.438 54.840 0.098 0.000 0.755 263 L CB -0.633 41.508 42.059 0.135 0.000 0.889 263 L HN 0.318 nan 8.230 nan 0.000 0.432 264 H N -0.902 118.193 119.070 0.041 0.000 2.545 264 H HA -0.002 4.554 4.556 0.000 0.000 0.282 264 H C 1.909 177.260 175.328 0.039 0.000 1.020 264 H CA 0.906 56.977 56.048 0.038 0.000 1.243 264 H CB 0.317 30.096 29.762 0.028 0.000 1.377 264 H HN 0.368 nan 8.280 nan 0.000 0.581 265 A N 0.791 123.689 122.820 0.130 0.000 2.275 265 A HA 0.130 4.450 4.320 0.000 0.000 0.212 265 A C 1.075 178.699 177.584 0.067 0.000 1.201 265 A CA -0.327 51.764 52.037 0.089 0.000 0.843 265 A CB -0.241 18.803 19.000 0.073 0.000 0.873 265 A HN 0.153 nan 8.150 nan 0.000 0.492 266 I N 2.041 122.642 120.570 0.052 0.000 2.821 266 I HA -0.016 4.154 4.170 0.000 0.000 0.294 266 I C -1.994 174.178 176.117 0.091 0.000 1.210 266 I CA -1.054 60.271 61.300 0.041 0.000 1.430 266 I CB 0.524 38.516 38.000 -0.013 0.000 1.356 266 I HN 0.148 nan 8.210 nan 0.000 0.563 267 P HA 0.099 nan 4.420 nan 0.000 0.269 267 P C -2.246 175.199 177.300 0.242 0.000 1.209 267 P CA -0.773 62.425 63.100 0.164 0.000 0.776 267 P CB -0.145 31.650 31.700 0.158 0.000 0.876 268 P HA 0.104 nan 4.420 nan 0.000 0.275 268 P C -0.879 176.502 177.300 0.137 0.000 1.270 268 P CA 0.061 63.263 63.100 0.170 0.000 0.791 268 P CB 0.596 32.355 31.700 0.098 0.000 1.089 269 H N -1.365 117.720 119.070 0.025 0.000 2.524 269 H HA 0.244 4.800 4.556 0.000 0.000 0.353 269 H C 1.387 176.671 175.328 -0.073 0.000 1.136 269 H CA -0.264 55.713 56.048 -0.118 0.000 1.193 269 H CB 1.579 31.250 29.762 -0.152 0.000 1.558 269 H HN 0.276 nan 8.280 nan 0.000 0.515 270 S N 2.670 118.313 115.700 -0.094 0.000 2.402 270 S HA -0.145 4.325 4.470 0.000 0.000 0.229 270 S C 1.981 176.657 174.600 0.126 0.000 1.021 270 S CA 0.704 58.908 58.200 0.007 0.000 0.974 270 S CB -0.204 62.944 63.200 -0.087 0.000 0.800 270 S HN 0.636 nan 8.310 nan 0.000 0.484 271 A N 1.222 124.239 122.820 0.329 0.000 2.168 271 A HA 0.573 4.893 4.320 0.000 0.000 0.215 271 A C 1.189 178.806 177.584 0.055 0.000 1.152 271 A CA 0.679 52.802 52.037 0.143 0.000 0.716 271 A CB -0.701 18.342 19.000 0.072 0.000 0.794 271 A HN 1.151 nan 8.150 nan 0.000 0.465 272 G N -2.975 105.869 108.800 0.072 0.000 2.320 272 G HA2 0.557 4.517 3.960 0.000 0.000 0.297 272 G HA3 0.557 4.517 3.960 0.000 0.000 0.297 272 G C -0.475 174.456 174.900 0.052 0.000 1.344 272 G CA -0.271 44.850 45.100 0.035 0.000 0.851 272 G HN 1.014 nan 8.290 nan 0.000 0.567 273 A N -0.469 122.373 122.820 0.037 0.000 2.425 273 A HA 0.796 5.116 4.320 0.000 0.000 0.242 273 A C 0.877 178.497 177.584 0.060 0.000 1.077 273 A CA 0.998 53.063 52.037 0.047 0.000 0.781 273 A CB 0.197 19.215 19.000 0.030 0.000 1.020 273 A HN 2.405 nan 8.150 nan 0.000 0.494 274 S N 0.873 116.618 115.700 0.075 0.000 2.570 274 S HA 0.857 5.327 4.470 0.000 0.000 0.270 274 S C -0.937 173.703 174.600 0.067 0.000 1.149 274 S CA -1.090 57.163 58.200 0.088 0.000 0.837 274 S CB 1.580 64.874 63.200 0.157 0.000 1.124 274 S HN 0.842 nan 8.310 nan 0.000 0.465 275 R N 0.062 120.594 120.500 0.052 0.000 2.799 275 R HA 0.854 5.195 4.340 0.000 0.000 0.270 275 R C -1.733 174.564 176.300 -0.005 0.000 1.010 275 R CA -0.892 55.220 56.100 0.020 0.000 0.916 275 R CB 1.973 32.283 30.300 0.016 0.000 1.228 275 R HN 0.629 nan 8.270 nan 0.000 0.469 276 V N 1.168 121.038 119.914 -0.075 0.000 2.891 276 V HA 0.439 4.559 4.120 0.000 0.000 0.304 276 V C -0.847 175.073 176.094 -0.290 0.000 1.171 276 V CA -0.908 61.302 62.300 -0.149 0.000 0.943 276 V CB 2.483 34.193 31.823 -0.188 0.000 1.037 276 V HN 0.790 nan 8.190 nan 0.000 0.427 277 N N 2.507 121.086 118.700 -0.202 0.000 2.503 277 N HA 0.407 5.147 4.740 0.000 0.000 0.287 277 N C -1.754 173.752 175.510 -0.006 0.000 1.096 277 N CA -0.239 52.750 53.050 -0.101 0.000 0.936 277 N CB 2.626 41.112 38.487 -0.003 0.000 1.570 277 N HN 0.406 nan 8.380 nan 0.000 0.504 278 V N 3.313 123.354 119.914 0.211 0.000 2.284 278 V HA 0.292 4.412 4.120 0.000 0.000 0.260 278 V C 1.517 177.667 176.094 0.093 0.000 1.084 278 V CA -0.104 62.270 62.300 0.123 0.000 0.894 278 V CB 0.655 32.594 31.823 0.193 0.000 1.119 278 V HN 0.866 nan 8.190 nan 0.000 0.484 279 G N 3.765 112.581 108.800 0.026 0.000 2.511 279 G HA2 0.157 4.117 3.960 0.000 0.000 0.217 279 G HA3 0.157 4.117 3.960 0.000 0.000 0.217 279 G C 0.458 175.365 174.900 0.011 0.000 1.133 279 G CA 0.597 45.710 45.100 0.021 0.000 0.792 279 G HN 0.498 nan 8.290 nan 0.000 0.539 283 A N 0.884 123.709 122.820 0.008 0.000 2.574 283 A HA 0.981 5.301 4.320 0.000 0.000 0.297 283 A C -0.134 177.447 177.584 -0.005 0.000 1.062 283 A CA 0.080 52.118 52.037 0.002 0.000 0.686 283 A CB 1.756 20.741 19.000 -0.025 0.000 1.285 283 A HN 1.425 nan 8.150 nan 0.000 0.403 284 G N -0.076 108.723 108.800 -0.002 0.000 2.699 284 G HA2 0.314 4.274 3.960 0.000 0.000 0.686 284 G HA3 0.314 4.274 3.960 0.000 0.000 0.686 284 G C 0.296 175.199 174.900 0.004 0.000 1.301 284 G CA 0.489 45.587 45.100 -0.003 0.000 0.816 284 G HN 2.224 nan 8.290 nan 0.000 0.595 285 T N -2.036 112.521 114.554 0.005 0.000 2.964 285 T HA 0.624 4.974 4.350 0.000 0.000 0.250 285 T C 1.112 175.816 174.700 0.006 0.000 0.982 285 T CA 1.066 63.170 62.100 0.007 0.000 0.959 285 T CB 1.207 70.081 68.868 0.010 0.000 1.141 285 T HN 2.310 nan 8.240 nan 0.000 0.494 286 G N 0.524 109.326 108.800 0.003 0.000 2.759 286 G HA2 0.483 4.443 3.960 0.000 0.000 0.297 286 G HA3 0.483 4.443 3.960 0.000 0.000 0.297 286 G C 0.116 175.017 174.900 0.001 0.000 1.434 286 G CA -0.601 44.501 45.100 0.003 0.000 0.980 286 G HN 0.189 nan 8.290 nan 0.000 0.531 287 R N 1.137 121.637 120.500 0.000 0.000 2.159 287 R HA -0.233 4.107 4.340 0.000 0.000 0.249 287 R C 2.030 178.330 176.300 -0.001 0.000 1.136 287 R CA 2.679 58.779 56.100 -0.001 0.000 0.951 287 R CB -0.161 30.139 30.300 -0.000 0.000 0.876 287 R HN 0.633 nan 8.270 nan 0.000 0.440 288 N N 0.016 118.717 118.700 0.002 0.000 2.422 288 N HA -0.027 4.713 4.740 0.000 0.000 0.181 288 N C 0.003 175.516 175.510 0.004 0.000 1.080 288 N CA 0.247 53.299 53.050 0.003 0.000 0.893 288 N CB 0.138 38.627 38.487 0.005 0.000 0.973 288 N HN 0.047 nan 8.380 nan 0.000 0.456 289 V N 2.026 121.943 119.914 0.004 0.000 2.498 289 V HA 0.122 4.242 4.120 0.000 0.000 0.279 289 V C 0.416 176.512 176.094 0.003 0.000 1.048 289 V CA -0.787 61.517 62.300 0.005 0.000 0.967 289 V CB 1.832 33.659 31.823 0.007 0.000 0.988 289 V HN -0.063 nan 8.190 nan 0.000 0.473 290 V N 8.211 128.129 119.914 0.006 0.000 2.450 290 V HA 0.116 4.236 4.120 0.000 0.000 0.281 290 V C -1.921 174.173 176.094 -0.001 0.000 1.019 290 V CA -1.140 61.162 62.300 0.003 0.000 1.062 290 V CB 0.560 32.391 31.823 0.013 0.000 0.979 290 V HN 0.822 nan 8.190 nan 0.000 0.477 291 P HA 0.079 nan 4.420 nan 0.000 0.264 291 P C 0.427 177.720 177.300 -0.012 0.000 1.193 291 P CA 0.255 63.343 63.100 -0.019 0.000 0.763 291 P CB 0.537 32.210 31.700 -0.044 0.000 0.810 292 S N -0.005 115.699 115.700 0.006 0.000 2.578 292 S HA 0.245 4.715 4.470 0.000 0.000 0.228 292 S C 0.581 175.205 174.600 0.040 0.000 1.022 292 S CA -0.185 58.028 58.200 0.022 0.000 0.967 292 S CB 0.186 63.401 63.200 0.026 0.000 0.914 292 S HN 0.395 nan 8.310 nan 0.000 0.515 293 S N 0.351 116.074 115.700 0.037 0.000 2.548 293 S HA 0.857 5.327 4.470 0.000 0.000 0.286 293 S C -1.220 173.422 174.600 0.070 0.000 1.098 293 S CA -0.104 58.135 58.200 0.066 0.000 0.930 293 S CB 1.677 64.909 63.200 0.053 0.000 1.070 293 S HN 0.946 nan 8.310 nan 0.000 0.480 294 A N 2.415 125.315 122.820 0.134 0.000 2.589 294 A HA 0.777 5.097 4.320 0.000 0.000 0.296 294 A C -1.989 175.726 177.584 0.219 0.000 1.062 294 A CA -0.576 51.548 52.037 0.144 0.000 0.686 294 A CB 1.544 20.599 19.000 0.092 0.000 1.282 294 A HN 1.085 nan 8.150 nan 0.000 0.404 295 L N 1.605 122.924 121.223 0.160 0.000 2.410 295 L HA 0.825 5.165 4.340 0.000 0.000 0.270 295 L C -1.694 175.254 176.870 0.130 0.000 0.983 295 L CA -0.347 54.578 54.840 0.142 0.000 0.822 295 L CB 1.536 43.644 42.059 0.081 0.000 1.285 295 L HN 0.661 nan 8.230 nan 0.000 0.409 296 L N 4.030 125.335 121.223 0.135 0.000 2.365 296 L HA 0.592 4.933 4.340 0.000 0.000 0.273 296 L C -0.713 176.159 176.870 0.004 0.000 1.000 296 L CA -0.913 53.981 54.840 0.090 0.000 0.819 296 L CB 2.025 44.178 42.059 0.157 0.000 1.284 296 L HN 0.519 nan 8.230 nan 0.000 0.418 297 K N 2.059 122.434 120.400 -0.041 0.000 2.425 297 K HA 0.637 4.958 4.320 0.000 0.000 0.259 297 K C -1.049 175.435 176.600 -0.193 0.000 0.978 297 K CA -0.239 55.985 56.287 -0.104 0.000 0.883 297 K CB 1.654 34.123 32.500 -0.052 0.000 1.110 297 K HN 0.254 nan 8.250 nan 0.000 0.436 298 V N 2.101 121.756 119.914 -0.431 0.000 3.126 298 V HA 0.640 4.760 4.120 0.000 0.000 0.314 298 V C -0.872 174.908 176.094 -0.523 0.000 1.138 298 V CA -0.984 60.984 62.300 -0.552 0.000 1.034 298 V CB 2.178 33.429 31.823 -0.953 0.000 1.075 298 V HN 0.828 nan 8.190 nan 0.000 0.442 299 E N -0.199 119.828 120.200 -0.288 0.000 2.352 299 E HA 0.649 4.999 4.350 0.000 0.000 0.280 299 E C -1.219 175.387 176.600 0.011 0.000 0.930 299 E CA -0.807 55.532 56.400 -0.101 0.000 0.765 299 E CB 2.216 31.877 29.700 -0.065 0.000 1.219 299 E HN 0.717 nan 8.360 nan 0.000 0.434 300 T N 0.657 115.275 114.554 0.107 0.000 2.932 300 T HA 0.798 5.148 4.350 0.000 0.000 0.289 300 T C -0.211 174.525 174.700 0.061 0.000 1.039 300 T CA -1.030 61.139 62.100 0.116 0.000 1.024 300 T CB 1.581 70.581 68.868 0.219 0.000 1.090 300 T HN 0.575 nan 8.240 nan 0.000 0.496 301 R N -0.390 120.143 120.500 0.055 0.000 2.643 301 R HA 0.690 5.030 4.340 0.000 0.000 0.269 301 R C -0.946 175.387 176.300 0.054 0.000 1.037 301 R CA -1.136 54.989 56.100 0.042 0.000 0.894 301 R CB 2.587 32.906 30.300 0.030 0.000 1.238 301 R HN 1.073 nan 8.270 nan 0.000 0.459 302 G N 0.003 108.829 108.800 0.043 0.000 2.706 302 G HA2 0.185 4.145 3.960 0.000 0.000 0.297 302 G HA3 0.185 4.145 3.960 0.000 0.000 0.297 302 G C -0.156 174.755 174.900 0.018 0.000 1.403 302 G CA -0.516 44.608 45.100 0.040 0.000 0.954 302 G HN 0.695 nan 8.290 nan 0.000 0.500 303 E N -0.347 119.858 120.200 0.008 0.000 2.204 303 E HA -0.049 4.301 4.350 0.000 0.000 0.195 303 E C 1.285 177.881 176.600 -0.007 0.000 0.990 303 E CA 1.283 57.684 56.400 0.001 0.000 0.821 303 E CB 0.151 29.849 29.700 -0.003 0.000 0.750 303 E HN 0.515 nan 8.360 nan 0.000 0.477 304 S N -1.275 114.412 115.700 -0.023 0.000 2.634 304 S HA 0.228 4.698 4.470 0.000 0.000 0.296 304 S C 0.596 175.182 174.600 -0.023 0.000 1.104 304 S CA -0.650 57.535 58.200 -0.026 0.000 0.920 304 S CB 1.760 64.933 63.200 -0.044 0.000 1.111 304 S HN 0.052 nan 8.310 nan 0.000 0.493 305 E N 1.598 121.788 120.200 -0.017 0.000 2.058 305 E HA -0.116 4.234 4.350 0.000 0.000 0.194 305 E C 2.050 178.649 176.600 -0.003 0.000 0.997 305 E CA 2.322 58.715 56.400 -0.010 0.000 0.801 305 E CB -0.915 28.778 29.700 -0.011 0.000 0.746 305 E HN 0.801 nan 8.360 nan 0.000 0.450 306 A N 0.634 123.444 122.820 -0.017 0.000 1.865 306 A HA -0.181 4.139 4.320 0.000 0.000 0.217 306 A C 2.444 180.017 177.584 -0.020 0.000 1.191 306 A CA 1.831 53.860 52.037 -0.012 0.000 0.623 306 A CB -0.894 18.082 19.000 -0.040 0.000 0.826 306 A HN 0.393 nan 8.150 nan 0.000 0.444 307 I N 0.130 120.631 120.570 -0.114 0.000 2.163 307 I HA -0.304 3.866 4.170 0.000 0.000 0.243 307 I C 2.549 178.730 176.117 0.108 0.000 1.085 307 I CA 1.716 62.940 61.300 -0.127 0.000 1.347 307 I CB -0.494 37.391 38.000 -0.192 0.000 1.044 307 I HN 0.549 nan 8.210 nan 0.000 0.408 308 N N 0.690 119.430 118.700 0.066 0.000 2.223 308 N HA -0.263 4.477 4.740 0.000 0.000 0.185 308 N C 1.966 177.549 175.510 0.122 0.000 1.016 308 N CA 1.320 54.422 53.050 0.087 0.000 0.863 308 N CB 0.073 38.584 38.487 0.040 0.000 0.983 308 N HN 0.295 nan 8.380 nan 0.000 0.429 309 Q N 0.272 120.143 119.800 0.117 0.000 2.079 309 Q HA -0.178 4.163 4.340 0.000 0.000 0.200 309 Q C 1.895 178.007 176.000 0.187 0.000 0.974 309 Q CA 1.474 57.368 55.803 0.151 0.000 0.840 309 Q CB -0.742 28.065 28.738 0.115 0.000 0.898 309 Q HN 0.572 nan 8.270 nan 0.000 0.430 310 Y N -0.368 119.987 120.300 0.093 0.000 2.097 310 Y HA -0.214 4.336 4.550 0.000 0.000 0.282 310 Y C 1.867 177.842 175.900 0.126 0.000 1.152 310 Y CA 1.950 60.122 58.100 0.119 0.000 1.136 310 Y CB -0.719 37.845 38.460 0.174 0.000 0.975 310 Y HN -0.033 nan 8.280 nan 0.000 0.498 311 V N 0.441 120.197 119.914 -0.263 0.000 2.324 311 V HA -0.312 3.808 4.120 0.000 0.000 0.250 311 V C 2.281 178.300 176.094 -0.126 0.000 1.060 311 V CA 2.217 64.318 62.300 -0.331 0.000 1.042 311 V CB -1.193 30.619 31.823 -0.018 0.000 0.650 311 V HN 0.548 nan 8.190 nan 0.000 0.450 312 F N 0.922 120.793 119.950 -0.133 0.000 2.234 312 F HA -0.078 4.450 4.527 0.000 0.000 0.299 312 F C 2.384 178.077 175.800 -0.179 0.000 1.087 312 F CA 1.420 59.341 58.000 -0.132 0.000 1.340 312 F CB -0.203 38.734 39.000 -0.105 0.000 1.031 312 F HN 0.130 nan 8.300 nan 0.000 0.500 313 E N 0.338 120.403 120.200 -0.224 0.000 2.051 313 E HA -0.161 4.189 4.350 0.000 0.000 0.192 313 E C 2.393 178.854 176.600 -0.231 0.000 0.991 313 E CA 0.816 57.059 56.400 -0.262 0.000 0.799 313 E CB -0.274 29.401 29.700 -0.041 0.000 0.748 313 E HN 0.326 nan 8.360 nan 0.000 0.449 314 R N 0.597 120.976 120.500 -0.202 0.000 2.073 314 R HA -0.039 4.301 4.340 0.000 0.000 0.234 314 R C 2.309 178.531 176.300 -0.130 0.000 1.134 314 R CA 1.195 57.227 56.100 -0.114 0.000 0.952 314 R CB -1.160 29.000 30.300 -0.234 0.000 0.850 314 R HN 0.167 nan 8.270 nan 0.000 0.433 315 A N 1.684 124.386 122.820 -0.196 0.000 1.903 315 A HA -0.268 4.052 4.320 0.000 0.000 0.219 315 A C 2.205 179.623 177.584 -0.277 0.000 1.191 315 A CA 1.872 53.821 52.037 -0.147 0.000 0.638 315 A CB -0.602 18.374 19.000 -0.039 0.000 0.823 315 A HN 0.451 nan 8.150 nan 0.000 0.451 316 Q N -1.567 117.903 119.800 -0.549 0.000 2.124 316 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 316 Q C 2.019 177.768 176.000 -0.419 0.000 0.977 316 Q CA 1.404 56.856 55.803 -0.585 0.000 0.850 316 Q CB -0.287 27.987 28.738 -0.773 0.000 0.901 316 Q HN 0.791 nan 8.270 nan 0.000 0.429 317 H N -0.531 118.404 119.070 -0.224 0.000 2.428 317 H HA -0.038 4.518 4.556 0.000 0.000 0.296 317 H C 2.219 177.478 175.328 -0.114 0.000 1.062 317 H CA 1.000 56.963 56.048 -0.142 0.000 1.350 317 H CB 0.137 29.836 29.762 -0.106 0.000 1.403 317 H HN 0.069 nan 8.280 nan 0.000 0.533 318 V N 1.285 121.201 119.914 0.004 0.000 2.307 318 V HA -0.199 3.921 4.120 0.000 0.000 0.245 318 V C 2.878 178.968 176.094 -0.007 0.000 1.045 318 V CA 1.648 63.954 62.300 0.010 0.000 1.024 318 V CB -0.629 31.209 31.823 0.025 0.000 0.651 318 V HN 0.368 nan 8.190 nan 0.000 0.449 319 V N -1.065 118.804 119.914 -0.075 0.000 2.548 319 V HA -0.034 4.086 4.120 0.000 0.000 0.249 319 V C 2.410 178.318 176.094 -0.309 0.000 1.055 319 V CA 1.675 63.924 62.300 -0.085 0.000 1.065 319 V CB -1.160 30.561 31.823 -0.170 0.000 0.681 319 V HN 0.363 nan 8.190 nan 0.000 0.462 320 A N 1.570 124.125 122.820 -0.441 0.000 1.873 320 A HA 0.098 4.418 4.320 0.000 0.000 0.215 320 A C 2.401 179.953 177.584 -0.054 0.000 1.186 320 A CA 1.880 53.672 52.037 -0.409 0.000 0.616 320 A CB -1.520 17.378 19.000 -0.171 0.000 0.823 320 A HN 0.670 nan 8.150 nan 0.000 0.442 321 G N -0.558 108.240 108.800 -0.002 0.000 2.422 321 G HA2 0.030 3.990 3.960 0.000 0.000 0.218 321 G HA3 0.030 3.990 3.960 0.000 0.000 0.218 321 G C 1.717 176.661 174.900 0.074 0.000 1.146 321 G CA 1.406 46.534 45.100 0.047 0.000 0.769 321 G HN 0.784 nan 8.290 nan 0.000 0.547 322 A N 1.187 124.059 122.820 0.086 0.000 1.902 322 A HA 0.257 4.577 4.320 0.000 0.000 0.217 322 A C 2.803 180.510 177.584 0.204 0.000 1.181 322 A CA 2.231 54.344 52.037 0.126 0.000 0.623 322 A CB -0.737 18.318 19.000 0.091 0.000 0.818 322 A HN 0.751 nan 8.150 nan 0.000 0.443 323 A N -0.026 122.965 122.820 0.284 0.000 1.898 323 A HA 0.369 4.689 4.320 0.000 0.000 0.216 323 A C 1.778 179.524 177.584 0.270 0.000 1.181 323 A CA 1.316 53.588 52.037 0.392 0.000 0.620 323 A CB -1.125 18.177 19.000 0.504 0.000 0.819 323 A HN 1.100 nan 8.150 nan 0.000 0.442 327 E N 0.837 121.109 120.200 0.120 0.000 2.269 327 E HA -0.197 4.153 4.350 0.000 0.000 0.223 327 E C -0.266 176.415 176.600 0.136 0.000 1.244 327 E CA 0.492 56.954 56.400 0.104 0.000 0.713 327 E CB -0.781 28.954 29.700 0.059 0.000 1.178 327 E HN 0.456 nan 8.360 nan 0.000 0.370 328 A N 1.162 124.100 122.820 0.196 0.000 2.299 328 A HA 0.782 5.102 4.320 0.000 0.000 0.332 328 A C -0.000 177.724 177.584 0.233 0.000 1.131 328 A CA -0.569 51.593 52.037 0.209 0.000 0.844 328 A CB 1.173 20.326 19.000 0.254 0.000 1.251 328 A HN 0.305 nan 8.150 nan 0.000 0.486 329 R N -0.944 119.671 120.500 0.192 0.000 2.596 329 R HA 0.613 4.953 4.340 0.000 0.000 0.267 329 R C -1.248 175.168 176.300 0.194 0.000 1.026 329 R CA -0.228 55.955 56.100 0.138 0.000 1.087 329 R CB 1.235 31.556 30.300 0.034 0.000 1.132 329 R HN 0.800 nan 8.270 nan 0.000 0.531 330 Y N -2.255 118.022 120.300 -0.039 0.000 2.571 330 Y HA 0.523 5.073 4.550 0.000 0.000 0.341 330 Y C -1.538 174.263 175.900 -0.165 0.000 1.076 330 Y CA -1.127 56.851 58.100 -0.203 0.000 1.029 330 Y CB 1.700 39.944 38.460 -0.361 0.000 1.308 330 Y HN 0.469 nan 8.280 nan 0.000 0.461 331 E N 3.455 123.596 120.200 -0.097 0.000 2.246 331 E HA 0.470 4.820 4.350 0.000 0.000 0.266 331 E C -1.642 174.979 176.600 0.035 0.000 0.880 331 E CA -0.799 55.541 56.400 -0.100 0.000 0.762 331 E CB 2.767 32.422 29.700 -0.075 0.000 1.180 331 E HN 0.666 nan 8.360 nan 0.000 0.416 332 L N 3.544 124.803 121.223 0.061 0.000 2.272 332 L HA 0.507 4.847 4.340 0.000 0.000 0.289 332 L C 0.096 177.023 176.870 0.095 0.000 1.032 332 L CA -0.248 54.665 54.840 0.122 0.000 0.810 332 L CB 0.991 43.117 42.059 0.112 0.000 1.205 332 L HN 0.419 nan 8.230 nan 0.000 0.422 337 A N -1.212 121.581 122.820 -0.045 0.000 2.583 337 A HA 1.104 5.424 4.320 0.000 0.000 0.292 337 A C -0.510 177.031 177.584 -0.072 0.000 1.045 337 A CA 0.415 52.408 52.037 -0.072 0.000 0.672 337 A CB 1.004 19.945 19.000 -0.098 0.000 1.283 337 A HN 2.667 nan 8.150 nan 0.000 0.419 338 A N -0.244 122.530 122.820 -0.077 0.000 2.602 338 A HA 0.969 5.289 4.320 0.000 0.000 0.290 338 A C -0.254 177.289 177.584 -0.069 0.000 1.114 338 A CA 0.202 52.188 52.037 -0.085 0.000 0.683 338 A CB 1.107 20.041 19.000 -0.110 0.000 1.281 338 A HN 1.963 nan 8.150 nan 0.000 0.416 339 T N -0.934 113.579 114.554 -0.067 0.000 2.804 339 T HA 0.732 5.082 4.350 0.000 0.000 0.272 339 T C 0.166 174.852 174.700 -0.023 0.000 0.986 339 T CA 0.284 62.359 62.100 -0.043 0.000 0.999 339 T CB 1.196 70.038 68.868 -0.043 0.000 1.307 339 T HN 1.871 nan 8.240 nan 0.000 0.586 340 A N 1.079 123.897 122.820 -0.003 0.000 2.302 340 A HA 0.626 4.946 4.320 0.000 0.000 0.285 340 A C 0.148 177.757 177.584 0.041 0.000 1.105 340 A CA -0.363 51.690 52.037 0.026 0.000 0.816 340 A CB 0.448 19.457 19.000 0.016 0.000 1.067 340 A HN 0.670 nan 8.150 nan 0.000 0.489 341 S N 0.194 115.946 115.700 0.087 0.000 2.442 341 S HA 0.603 5.073 4.470 0.000 0.000 0.297 341 S C -0.268 174.381 174.600 0.082 0.000 1.131 341 S CA 0.097 58.365 58.200 0.113 0.000 1.092 341 S CB 0.745 64.089 63.200 0.240 0.000 0.998 341 S HN 1.746 nan 8.310 nan 0.000 0.478 342 A N 6.489 129.356 122.820 0.078 0.000 3.082 342 A HA 0.591 4.911 4.320 0.000 0.000 0.328 342 A C -2.796 174.844 177.584 0.093 0.000 1.089 342 A CA -1.373 50.704 52.037 0.066 0.000 0.802 342 A CB 0.134 19.159 19.000 0.042 0.000 1.138 342 A HN 0.643 nan 8.150 nan 0.000 0.474 343 P HA 0.045 nan 4.420 nan 0.000 0.266 343 P C 0.126 177.521 177.300 0.158 0.000 1.186 343 P CA 0.581 63.784 63.100 0.172 0.000 0.767 343 P CB 0.542 32.346 31.700 0.175 0.000 0.820 344 S N 5.029 120.853 115.700 0.207 0.000 2.430 344 S HA 0.094 4.564 4.470 0.000 0.000 0.282 344 S C -1.355 173.373 174.600 0.214 0.000 1.186 344 S CA -0.701 57.615 58.200 0.195 0.000 1.060 344 S CB 0.176 63.509 63.200 0.222 0.000 0.966 344 S HN 0.396 nan 8.310 nan 0.000 0.501 345 P HA -0.277 nan 4.420 nan 0.000 0.218 345 P C 1.513 178.901 177.300 0.145 0.000 1.165 345 P CA 1.780 64.951 63.100 0.118 0.000 0.922 345 P CB 0.107 31.857 31.700 0.083 0.000 0.794 346 A N -1.412 121.511 122.820 0.171 0.000 1.883 346 A HA -0.226 4.094 4.320 0.000 0.000 0.217 346 A C 2.310 180.070 177.584 0.293 0.000 1.186 346 A CA 1.689 53.843 52.037 0.195 0.000 0.624 346 A CB -1.971 17.145 19.000 0.193 0.000 0.822 346 A HN 0.352 nan 8.150 nan 0.000 0.444 347 W N 1.025 122.410 121.300 0.141 0.000 2.402 347 W HA -0.175 4.485 4.660 0.000 0.000 0.286 347 W C 2.111 178.738 176.519 0.180 0.000 1.221 347 W CA 2.194 59.653 57.345 0.190 0.000 1.257 347 W CB 0.084 29.677 29.460 0.223 0.000 1.120 347 W HN 0.356 nan 8.180 nan 0.000 0.551 348 V N -1.048 118.964 119.914 0.163 0.000 2.427 348 V HA -0.238 3.882 4.120 0.000 0.000 0.248 348 V C 1.815 177.879 176.094 -0.049 0.000 1.051 348 V CA 2.372 64.681 62.300 0.016 0.000 1.048 348 V CB -0.924 30.936 31.823 0.063 0.000 0.666 348 V HN -0.095 nan 8.190 nan 0.000 0.456 349 D N -0.283 120.123 120.400 0.010 0.000 2.092 349 D HA -0.200 4.441 4.640 0.000 0.000 0.193 349 D C 1.974 178.233 176.300 -0.067 0.000 0.994 349 D CA 2.248 56.239 54.000 -0.014 0.000 0.828 349 D CB -0.457 40.362 40.800 0.031 0.000 0.963 349 D HN 0.665 nan 8.370 nan 0.000 0.450 350 Y N 1.137 121.322 120.300 -0.191 0.000 2.165 350 Y HA -0.216 4.334 4.550 0.000 0.000 0.286 350 Y C 2.083 177.761 175.900 -0.370 0.000 1.155 350 Y CA 1.124 59.048 58.100 -0.293 0.000 1.164 350 Y CB -0.339 37.888 38.460 -0.388 0.000 0.978 350 Y HN -0.115 nan 8.280 nan 0.000 0.513 351 L N 0.408 121.339 121.223 -0.487 0.000 2.093 351 L HA -0.148 4.192 4.340 0.000 0.000 0.208 351 L C 2.684 179.348 176.870 -0.342 0.000 1.085 351 L CA 1.735 56.284 54.840 -0.485 0.000 0.755 351 L CB -1.051 40.769 42.059 -0.398 0.000 0.904 351 L HN 0.197 nan 8.230 nan 0.000 0.435 352 R N -0.153 120.196 120.500 -0.253 0.000 2.066 352 R HA -0.153 4.187 4.340 0.000 0.000 0.232 352 R C 2.129 178.309 176.300 -0.199 0.000 1.131 352 R CA 1.486 57.475 56.100 -0.184 0.000 0.955 352 R CB -0.056 30.169 30.300 -0.125 0.000 0.851 352 R HN 0.429 nan 8.270 nan 0.000 0.432 353 E N -0.097 119.963 120.200 -0.233 0.000 2.085 353 E HA -0.229 4.121 4.350 0.000 0.000 0.194 353 E C 2.174 178.615 176.600 -0.265 0.000 0.994 353 E CA 1.151 57.417 56.400 -0.224 0.000 0.801 353 E CB 0.038 29.607 29.700 -0.219 0.000 0.743 353 E HN 0.371 nan 8.360 nan 0.000 0.453 354 Q N -0.029 119.532 119.800 -0.398 0.000 2.137 354 Q HA -0.002 4.338 4.340 0.000 0.000 0.198 354 Q C 2.213 178.087 176.000 -0.210 0.000 0.960 354 Q CA 1.201 56.793 55.803 -0.351 0.000 0.847 354 Q CB -0.304 28.127 28.738 -0.512 0.000 0.915 354 Q HN 0.262 nan 8.270 nan 0.000 0.448 355 A N 1.272 123.978 122.820 -0.191 0.000 1.972 355 A HA -0.041 4.279 4.320 0.000 0.000 0.219 355 A C 2.314 179.850 177.584 -0.079 0.000 1.169 355 A CA 1.632 53.607 52.037 -0.103 0.000 0.635 355 A CB -0.546 18.390 19.000 -0.108 0.000 0.810 355 A HN 0.337 nan 8.150 nan 0.000 0.446 356 A N 0.170 122.930 122.820 -0.099 0.000 1.933 356 A HA -0.174 4.146 4.320 0.000 0.000 0.218 356 A C 2.199 179.746 177.584 -0.061 0.000 1.175 356 A CA 1.533 53.526 52.037 -0.074 0.000 0.628 356 A CB -0.401 18.551 19.000 -0.080 0.000 0.814 356 A HN 0.592 nan 8.150 nan 0.000 0.444 357 R N -0.595 119.862 120.500 -0.071 0.000 2.193 357 R HA 0.093 4.433 4.340 0.000 0.000 0.213 357 R C 0.112 176.385 176.300 -0.045 0.000 1.055 357 R CA 0.302 56.367 56.100 -0.058 0.000 0.995 357 R CB -0.378 29.881 30.300 -0.069 0.000 0.893 357 R HN 0.319 nan 8.270 nan 0.000 0.459 358 V N 3.362 123.251 119.914 -0.043 0.000 2.599 358 V HA -0.031 4.089 4.120 0.000 0.000 0.300 358 V C -1.325 174.758 176.094 -0.019 0.000 1.034 358 V CA -0.867 61.416 62.300 -0.028 0.000 1.115 358 V CB 0.851 32.667 31.823 -0.011 0.000 0.934 358 V HN 0.021 nan 8.190 nan 0.000 0.485 359 P HA -0.201 nan 4.420 nan 0.000 0.207 359 P C 1.615 178.909 177.300 -0.010 0.000 1.115 359 P CA 1.902 64.992 63.100 -0.016 0.000 0.956 359 P CB -0.085 31.603 31.700 -0.019 0.000 0.774 360 G N -1.090 107.706 108.800 -0.007 0.000 2.564 360 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 360 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 360 G C 0.238 175.148 174.900 0.016 0.000 1.120 360 G CA 0.267 45.369 45.100 0.002 0.000 0.752 360 G HN 0.238 nan 8.290 nan 0.000 0.558 361 V N 0.791 120.715 119.914 0.017 0.000 2.405 361 V HA 0.122 4.242 4.120 0.000 0.000 0.264 361 V C 0.915 177.007 176.094 -0.002 0.000 1.048 361 V CA 0.059 62.369 62.300 0.017 0.000 0.966 361 V CB 1.193 33.025 31.823 0.014 0.000 1.015 361 V HN 0.391 nan 8.190 nan 0.000 0.477 362 Q N 2.303 122.102 119.800 -0.003 0.000 2.349 362 Q HA 0.162 4.502 4.340 0.000 0.000 0.209 362 Q C 0.387 176.376 176.000 -0.018 0.000 0.920 362 Q CA 0.468 56.265 55.803 -0.010 0.000 0.901 362 Q CB 0.553 29.287 28.738 -0.006 0.000 1.021 362 Q HN 0.655 nan 8.270 nan 0.000 0.519 363 Q N -1.941 117.847 119.800 -0.021 0.000 2.484 363 Q HA 0.546 4.886 4.340 0.000 0.000 0.285 363 Q C -0.549 175.423 176.000 -0.046 0.000 1.097 363 Q CA -0.192 55.592 55.803 -0.032 0.000 0.802 363 Q CB 1.944 30.665 28.738 -0.029 0.000 1.444 363 Q HN 0.082 nan 8.270 nan 0.000 0.429 364 A N 0.137 122.924 122.820 -0.055 0.000 2.138 364 A HA 0.241 4.561 4.320 0.000 0.000 0.203 364 A C 1.235 178.775 177.584 -0.074 0.000 1.286 364 A CA 1.107 53.099 52.037 -0.074 0.000 0.929 364 A CB -0.257 18.698 19.000 -0.076 0.000 0.975 364 A HN 0.975 nan 8.150 nan 0.000 0.480 365 V N -2.567 117.313 119.914 -0.057 0.000 0.523 365 V HA -0.591 3.529 4.120 0.000 0.000 0.092 365 V C 1.198 177.262 176.094 -0.051 0.000 2.217 365 V CA 3.432 65.701 62.300 -0.051 0.000 3.561 365 V CB -1.829 29.962 31.823 -0.052 0.000 0.853 365 V HN 1.057 nan 8.190 nan 0.000 0.890 366 D N 0.504 120.868 120.400 -0.061 0.000 3.328 366 D HA -0.286 4.354 4.640 0.000 0.000 0.215 366 D C 0.586 176.862 176.300 -0.041 0.000 1.170 366 D CA 2.091 56.060 54.000 -0.050 0.000 2.173 366 D CB -0.909 39.869 40.800 -0.037 0.000 1.262 366 D HN 1.115 nan 8.370 nan 0.000 0.512 367 R N 1.484 121.960 120.500 -0.041 0.000 2.698 367 R HA 0.733 5.073 4.340 0.000 0.000 0.275 367 R C -1.366 174.904 176.300 -0.051 0.000 1.001 367 R CA -0.559 55.514 56.100 -0.045 0.000 0.896 367 R CB 1.679 31.958 30.300 -0.035 0.000 1.218 367 R HN 0.337 nan 8.270 nan 0.000 0.462 368 I N 0.891 121.422 120.570 -0.064 0.000 3.322 368 I HA 0.636 4.806 4.170 0.000 0.000 0.313 368 I C -1.175 174.902 176.117 -0.066 0.000 1.129 368 I CA -0.974 60.291 61.300 -0.059 0.000 0.963 368 I CB 2.475 40.440 38.000 -0.058 0.000 1.273 368 I HN 0.801 nan 8.210 nan 0.000 0.473 369 A N 3.486 126.273 122.820 -0.054 0.000 2.328 369 A HA 0.861 5.181 4.320 0.000 0.000 0.318 369 A C -0.809 176.745 177.584 -0.050 0.000 1.347 369 A CA -0.174 51.832 52.037 -0.052 0.000 0.842 369 A CB 0.436 19.414 19.000 -0.037 0.000 1.148 369 A HN 0.794 nan 8.150 nan 0.000 0.499 370 A N 3.020 125.799 122.820 -0.067 0.000 2.532 370 A HA 0.942 5.262 4.320 0.000 0.000 0.290 370 A C -2.952 174.597 177.584 -0.058 0.000 1.143 370 A CA -1.662 50.342 52.037 -0.056 0.000 0.728 370 A CB 0.357 19.320 19.000 -0.061 0.000 1.317 370 A HN 0.533 nan 8.150 nan 0.000 0.414 371 P HA 0.356 nan 4.420 nan 0.000 0.262 371 P C -0.052 177.225 177.300 -0.039 0.000 1.182 371 P CA 0.403 63.489 63.100 -0.024 0.000 0.761 371 P CB 0.545 32.244 31.700 -0.003 0.000 0.795 372 A N 2.880 125.680 122.820 -0.034 0.000 2.425 372 A HA 0.574 4.894 4.320 0.000 0.000 0.242 372 A C 0.809 178.403 177.584 0.015 0.000 1.077 372 A CA 0.819 52.835 52.037 -0.036 0.000 0.781 372 A CB -0.073 18.916 19.000 -0.018 0.000 1.020 372 A HN 0.654 nan 8.150 nan 0.000 0.494 373 G N -0.776 108.064 108.800 0.066 0.000 2.815 373 G HA2 0.608 4.568 3.960 0.000 0.000 0.305 373 G HA3 0.608 4.568 3.960 0.000 0.000 0.305 373 G C -0.951 174.081 174.900 0.221 0.000 1.277 373 G CA -0.034 45.151 45.100 0.142 0.000 0.795 373 G HN 1.043 nan 8.290 nan 0.000 0.528 374 S N -0.710 115.072 115.700 0.137 0.000 2.546 374 S HA 0.676 5.146 4.470 0.000 0.000 0.274 374 S C -1.569 172.859 174.600 -0.287 0.000 1.121 374 S CA -0.499 57.686 58.200 -0.025 0.000 0.887 374 S CB 2.222 65.401 63.200 -0.034 0.000 1.094 374 S HN 0.839 nan 8.310 nan 0.000 0.474 375 E N 1.169 121.038 120.200 -0.551 0.000 2.291 375 E HA 0.345 4.695 4.350 0.000 0.000 0.276 375 E C -0.466 175.900 176.600 -0.390 0.000 0.896 375 E CA -0.605 55.425 56.400 -0.616 0.000 0.774 375 E CB 0.859 29.788 29.700 -1.285 0.000 1.227 375 E HN 0.475 nan 8.360 nan 0.000 0.413 376 D N 3.527 123.792 120.400 -0.225 0.000 2.350 376 D HA -0.071 4.569 4.640 0.000 0.000 0.216 376 D C 1.381 177.615 176.300 -0.110 0.000 0.968 376 D CA 0.974 54.884 54.000 -0.150 0.000 0.894 376 D CB -0.165 40.567 40.800 -0.113 0.000 0.909 376 D HN 0.410 nan 8.370 nan 0.000 0.520 377 A N 0.790 123.566 122.820 -0.073 0.000 2.076 377 A HA -0.187 4.133 4.320 0.000 0.000 0.220 377 A C 2.314 179.892 177.584 -0.011 0.000 1.160 377 A CA 2.299 54.373 52.037 0.062 0.000 0.653 377 A CB -1.359 17.819 19.000 0.298 0.000 0.801 377 A HN 0.487 nan 8.150 nan 0.000 0.455 378 T N -1.277 113.219 114.554 -0.096 0.000 2.759 378 T HA -0.042 4.308 4.350 0.000 0.000 0.269 378 T C 1.096 175.732 174.700 -0.107 0.000 1.042 378 T CA 0.962 63.013 62.100 -0.081 0.000 1.140 378 T CB -0.814 67.993 68.868 -0.102 0.000 0.864 378 T HN 0.325 nan 8.240 nan 0.000 0.455 383 R N 1.235 121.646 120.500 -0.148 0.000 2.070 383 R HA -0.025 4.315 4.340 0.000 0.000 0.232 383 R C 1.796 178.011 176.300 -0.143 0.000 1.138 383 R CA 2.641 58.660 56.100 -0.136 0.000 0.936 383 R CB -1.133 29.077 30.300 -0.150 0.000 0.839 383 R HN 0.328 nan 8.270 nan 0.000 0.429 384 V N 1.067 120.864 119.914 -0.196 0.000 2.380 384 V HA -0.295 3.825 4.120 0.000 0.000 0.251 384 V C 2.353 178.359 176.094 -0.147 0.000 1.063 384 V CA 2.296 64.487 62.300 -0.181 0.000 1.055 384 V CB -0.528 31.163 31.823 -0.218 0.000 0.657 384 V HN 0.465 nan 8.190 nan 0.000 0.455 385 Q N -0.797 118.930 119.800 -0.123 0.000 2.172 385 Q HA -0.071 4.269 4.340 0.000 0.000 0.200 385 Q C 2.323 178.279 176.000 -0.074 0.000 0.964 385 Q CA 1.459 57.209 55.803 -0.088 0.000 0.855 385 Q CB -0.311 28.394 28.738 -0.054 0.000 0.918 385 Q HN 0.688 nan 8.270 nan 0.000 0.444 386 A N 0.793 123.569 122.820 -0.073 0.000 2.066 386 A HA -0.085 4.235 4.320 0.000 0.000 0.218 386 A C 1.603 179.150 177.584 -0.061 0.000 1.157 386 A CA 0.778 52.780 52.037 -0.058 0.000 0.670 386 A CB 0.002 18.970 19.000 -0.054 0.000 0.804 386 A HN 0.115 nan 8.150 nan 0.000 0.453 387 R N -1.156 119.298 120.500 -0.077 0.000 2.388 387 R HA 0.209 4.549 4.340 0.000 0.000 0.247 387 R C 1.226 177.473 176.300 -0.088 0.000 0.931 387 R CA 0.717 56.771 56.100 -0.077 0.000 1.082 387 R CB -0.044 30.206 30.300 -0.083 0.000 1.135 387 R HN 0.686 nan 8.270 nan 0.000 0.525 388 G N 0.069 108.814 108.800 -0.091 0.000 2.258 388 G HA2 -0.262 3.699 3.960 0.000 0.000 0.233 388 G HA3 -0.262 3.699 3.960 0.000 0.000 0.233 388 G C 0.610 175.416 174.900 -0.157 0.000 1.006 388 G CA -0.150 44.890 45.100 -0.101 0.000 0.620 388 G HN 0.581 nan 8.290 nan 0.000 0.511 389 G N -0.331 108.346 108.800 -0.206 0.000 2.611 389 G HA2 0.605 4.565 3.960 0.000 0.000 0.273 389 G HA3 0.605 4.565 3.960 0.000 0.000 0.273 389 G C 0.073 174.803 174.900 -0.284 0.000 1.305 389 G CA -0.097 44.802 45.100 -0.336 0.000 1.010 389 G HN 0.831 nan 8.290 nan 0.000 0.509 390 L N -0.950 120.037 121.223 -0.392 0.000 2.301 390 L HA 0.830 5.170 4.340 0.000 0.000 0.264 390 L C 0.190 176.922 176.870 -0.231 0.000 1.016 390 L CA -0.962 53.751 54.840 -0.212 0.000 0.821 390 L CB 2.116 44.115 42.059 -0.100 0.000 1.346 390 L HN 0.774 nan 8.230 nan 0.000 0.429 391 A N 0.677 123.496 122.820 -0.001 0.000 2.586 391 A HA 0.833 5.154 4.320 0.000 0.000 0.290 391 A C -1.245 176.594 177.584 0.426 0.000 1.086 391 A CA -0.383 51.763 52.037 0.182 0.000 0.665 391 A CB 2.037 21.180 19.000 0.238 0.000 1.279 391 A HN 0.554 nan 8.150 nan 0.000 0.423 392 S N -1.449 114.580 115.700 0.548 0.000 2.611 392 S HA 0.708 5.179 4.470 0.000 0.000 0.268 392 S C -1.801 173.065 174.600 0.443 0.000 1.156 392 S CA -0.322 58.163 58.200 0.475 0.000 0.817 392 S CB 1.078 64.553 63.200 0.459 0.000 1.122 392 S HN 1.429 nan 8.310 nan 0.000 0.466 396 F N 3.729 123.706 119.950 0.045 0.000 2.402 396 F HA 0.602 5.129 4.527 0.000 0.000 0.355 396 F C 1.047 176.863 175.800 0.026 0.000 1.123 396 F CA -0.549 57.457 58.000 0.010 0.000 1.021 396 F CB 1.871 40.854 39.000 -0.027 0.000 1.160 396 F HN 0.402 nan 8.300 nan 0.000 0.451 397 G N 0.730 109.613 108.800 0.138 0.000 2.594 397 G HA2 0.436 4.396 3.960 0.000 0.000 0.243 397 G HA3 0.436 4.396 3.960 0.000 0.000 0.243 397 G C 0.511 175.468 174.900 0.095 0.000 1.229 397 G CA 0.246 45.405 45.100 0.098 0.000 0.843 397 G HN 0.789 nan 8.290 nan 0.000 0.578 398 T N -2.539 112.056 114.554 0.069 0.000 3.207 398 T HA 0.172 4.522 4.350 0.000 0.000 0.277 398 T C 0.470 175.189 174.700 0.031 0.000 0.865 398 T CA -0.011 62.117 62.100 0.048 0.000 0.857 398 T CB -0.299 68.597 68.868 0.046 0.000 1.240 398 T HN 0.559 nan 8.240 nan 0.000 0.618 399 E N 1.690 121.909 120.200 0.033 0.000 2.436 399 E HA 0.360 4.710 4.350 0.000 0.000 0.262 399 E C 0.353 176.961 176.600 0.014 0.000 1.063 399 E CA -0.147 56.266 56.400 0.022 0.000 0.944 399 E CB 0.324 30.038 29.700 0.023 0.000 0.950 399 E HN 0.369 nan 8.360 nan 0.000 0.444 413 E N -0.634 119.547 120.200 -0.031 0.000 2.714 413 E HA 0.139 4.489 4.350 0.000 0.000 0.219 413 E C 0.708 177.283 176.600 -0.042 0.000 0.979 413 E CA 0.244 56.621 56.400 -0.037 0.000 1.092 413 E CB 0.798 30.467 29.700 -0.051 0.000 1.049 413 E HN 0.218 nan 8.360 nan 0.000 0.487 414 S N -0.950 114.724 115.700 -0.043 0.000 2.593 414 S HA 0.184 4.654 4.470 0.000 0.000 0.236 414 S C 0.848 175.412 174.600 -0.060 0.000 0.991 414 S CA -0.377 57.791 58.200 -0.054 0.000 0.963 414 S CB 0.229 63.397 63.200 -0.052 0.000 0.865 414 S HN 0.013 nan 8.310 nan 0.000 0.488 418 V N 1.086 120.911 119.914 -0.149 0.000 2.515 418 V HA 0.106 4.226 4.120 0.000 0.000 0.250 418 V C 2.333 178.258 176.094 -0.282 0.000 1.058 418 V CA 2.877 65.093 62.300 -0.141 0.000 1.064 418 V CB -0.293 31.491 31.823 -0.066 0.000 0.675 418 V HN 0.967 nan 8.190 nan 0.000 0.461 419 A N -0.205 122.283 122.820 -0.554 0.000 1.855 419 A HA -0.090 4.230 4.320 0.000 0.000 0.215 419 A C 2.353 179.650 177.584 -0.479 0.000 1.191 419 A CA 2.089 53.506 52.037 -1.034 0.000 0.613 419 A CB -0.903 17.405 19.000 -1.153 0.000 0.829 419 A HN 0.444 nan 8.150 nan 0.000 0.442 420 V N 0.335 120.070 119.914 -0.298 0.000 2.231 420 V HA -0.336 3.784 4.120 0.000 0.000 0.248 420 V C 2.621 178.639 176.094 -0.127 0.000 1.054 420 V CA 2.571 64.769 62.300 -0.170 0.000 1.015 420 V CB -0.818 30.954 31.823 -0.084 0.000 0.638 420 V HN 0.830 nan 8.190 nan 0.000 0.444 421 E N -0.282 119.856 120.200 -0.103 0.000 2.085 421 E HA -0.241 4.110 4.350 0.000 0.000 0.194 421 E C 2.148 178.707 176.600 -0.067 0.000 0.994 421 E CA 1.959 58.318 56.400 -0.067 0.000 0.801 421 E CB -0.195 29.471 29.700 -0.056 0.000 0.743 421 E HN 0.648 nan 8.360 nan 0.000 0.453 422 T N 1.340 115.857 114.554 -0.063 0.000 2.708 422 T HA -0.125 4.225 4.350 0.000 0.000 0.266 422 T C 1.884 176.573 174.700 -0.019 0.000 1.037 422 T CA 1.346 63.443 62.100 -0.005 0.000 1.146 422 T CB -0.174 68.785 68.868 0.152 0.000 0.865 422 T HN 0.153 nan 8.240 nan 0.000 0.435 423 L N 0.744 121.927 121.223 -0.066 0.000 2.027 423 L HA -0.028 4.312 4.340 0.000 0.000 0.206 423 L C 3.121 179.874 176.870 -0.195 0.000 1.074 423 L CA 1.201 55.948 54.840 -0.156 0.000 0.745 423 L CB -0.776 41.083 42.059 -0.332 0.000 0.898 423 L HN 0.224 nan 8.230 nan 0.000 0.433 424 A N 0.134 122.860 122.820 -0.157 0.000 1.908 424 A HA -0.282 4.038 4.320 0.000 0.000 0.218 424 A C 2.358 179.938 177.584 -0.006 0.000 1.181 424 A CA 2.056 54.050 52.037 -0.072 0.000 0.627 424 A CB -0.546 18.444 19.000 -0.017 0.000 0.818 424 A HN 0.257 nan 8.150 nan 0.000 0.445 425 R N -0.473 120.011 120.500 -0.028 0.000 2.096 425 R HA -0.069 4.271 4.340 0.000 0.000 0.235 425 R C 1.905 178.226 176.300 0.034 0.000 1.127 425 R CA 1.590 57.677 56.100 -0.021 0.000 0.968 425 R CB -0.872 29.390 30.300 -0.063 0.000 0.861 425 R HN 0.308 nan 8.270 nan 0.000 0.440 426 V N 0.416 120.365 119.914 0.058 0.000 2.332 426 V HA -0.286 3.834 4.120 0.000 0.000 0.248 426 V C 2.240 178.576 176.094 0.403 0.000 1.055 426 V CA 2.049 64.467 62.300 0.197 0.000 1.038 426 V CB -0.868 31.119 31.823 0.273 0.000 0.651 426 V HN 0.519 nan 8.190 nan 0.000 0.450 427 A N -0.182 122.852 122.820 0.356 0.000 1.832 427 A HA -0.060 4.260 4.320 0.000 0.000 0.214 427 A C 2.165 179.945 177.584 0.326 0.000 1.204 427 A CA 1.488 53.754 52.037 0.382 0.000 0.606 427 A CB -0.603 18.643 19.000 0.411 0.000 0.849 427 A HN 0.450 nan 8.150 nan 0.000 0.445 428 L N -0.147 121.240 121.223 0.273 0.000 2.081 428 L HA -0.242 4.098 4.340 0.000 0.000 0.212 428 L C 1.687 178.704 176.870 0.246 0.000 1.080 428 L CA 1.595 56.600 54.840 0.275 0.000 0.754 428 L CB -0.696 41.438 42.059 0.126 0.000 0.893 428 L HN 0.361 nan 8.230 nan 0.000 0.433 429 N N -0.789 118.011 118.700 0.166 0.000 2.461 429 N HA -0.010 4.731 4.740 0.000 0.000 0.188 429 N C 0.222 175.763 175.510 0.051 0.000 1.134 429 N CA -0.034 53.085 53.050 0.115 0.000 0.878 429 N CB -0.201 38.328 38.487 0.071 0.000 0.972 429 N HN 0.080 nan 8.380 nan 0.000 0.456 430 F N 3.715 123.504 119.950 -0.268 0.000 2.635 430 F HA 0.007 4.535 4.527 0.000 0.000 0.379 430 F C -1.593 173.699 175.800 -0.847 0.000 1.094 430 F CA -1.794 55.765 58.000 -0.735 0.000 1.300 430 F CB 0.572 38.794 39.000 -1.296 0.000 1.035 430 F HN 0.075 nan 8.300 nan 0.000 0.581 431 P HA -0.018 nan 4.420 nan 0.000 0.237 431 P C 0.225 177.189 177.300 -0.559 0.000 1.788 431 P CA 0.148 62.816 63.100 -0.721 0.000 1.061 431 P CB -0.466 30.865 31.700 -0.616 0.000 1.967 432 W N 1.359 122.671 121.300 0.019 0.000 2.290 432 W HA -0.256 4.404 4.660 0.000 0.000 0.318 432 W C 2.622 179.206 176.519 0.107 0.000 1.248 432 W CA 1.258 58.733 57.345 0.216 0.000 1.263 432 W CB -1.004 28.576 29.460 0.199 0.000 1.147 432 W HN 0.290 nan 8.180 nan 0.000 0.494 433 Q N 0.918 120.869 119.800 0.251 0.000 1.921 433 Q HA -0.155 4.185 4.340 0.000 0.000 0.208 433 Q C 1.172 177.226 176.000 0.090 0.000 0.994 433 Q CA 1.288 57.181 55.803 0.151 0.000 0.857 433 Q CB -0.249 28.548 28.738 0.098 0.000 0.925 433 Q HN 0.157 nan 8.270 nan 0.000 0.421 434 R N 0.000 120.506 120.500 0.010 0.000 2.786 434 R HA 0.000 4.340 4.340 0.000 0.000 0.208 434 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 434 R CB 0.000 30.261 30.300 -0.066 0.000 0.687 434 R HN 0.000 nan 8.270 nan 0.000 0.535