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 3cl8_1_A DATA FIRST_RESID 3 DATA SEQUENCE VDYPRDLIGY GSNPPHPHWP GKARIALSFV LNYEEGGERN ILHGDKESEA DATA SEQUENCE FLSEMVSAQP LQGERNMSME SLYEYGSRAG VWRILKLFKA FDIPLTIFAV DATA SEQUENCE AMAAQRHPDV IRAMVAAGHE ICSHGYRWID YQYMDEAQER EHMLEAIRIL DATA SEQUENCE TELTGERPLG WYTGRTGPNT RRLVMEEGGF LYDCDTYDDD LPYWEPNNPT DATA SEQUENCE GKPHLVIPYT LDTNDMRFTQ VQGFNKGDDF FEYLKDAFDV LYAEGAEAPK DATA SEQUENCE MLSIGLHCRL IGRPARLAAL QRFIEYAKSH EQVWFTRRVD IARHWHATHP DATA SEQUENCE YT 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.125 176.094 0.051 0.000 1.182 3 V CA 0.000 62.321 62.300 0.035 0.000 1.235 3 V CB 0.000 31.837 31.823 0.023 0.000 1.184 4 D N 3.303 123.748 120.400 0.075 0.000 2.613 4 D HA 0.422 5.083 4.640 0.036 0.000 0.230 4 D C -1.491 174.908 176.300 0.166 0.000 1.365 4 D CA -0.226 53.832 54.000 0.097 0.000 0.976 4 D CB 1.725 42.564 40.800 0.064 0.000 1.415 4 D HN 0.666 nan 8.370 nan 0.000 0.589 5 Y N 4.050 124.357 120.300 0.012 0.000 2.452 5 Y HA 0.300 4.871 4.550 0.036 0.000 0.348 5 Y C -1.333 174.576 175.900 0.014 0.000 0.985 5 Y CA -2.407 55.700 58.100 0.012 0.000 1.214 5 Y CB 0.943 39.409 38.460 0.010 0.000 1.136 5 Y HN 0.300 nan 8.280 nan 0.000 0.523 6 P HA 0.083 nan 4.420 nan 0.000 0.259 6 P C -0.940 176.159 177.300 -0.336 0.000 1.480 6 P CA 0.409 63.385 63.100 -0.207 0.000 0.842 6 P CB 0.018 31.630 31.700 -0.147 0.000 1.513 7 R N 0.289 120.462 120.500 -0.545 0.000 2.538 7 R HA 0.329 4.690 4.340 0.036 0.000 0.292 7 R C -0.997 175.232 176.300 -0.117 0.000 1.008 7 R CA -0.759 55.110 56.100 -0.384 0.000 0.896 7 R CB 1.238 31.196 30.300 -0.570 0.000 1.187 7 R HN -0.178 nan 8.270 nan 0.000 0.440 8 D N 4.124 124.492 120.400 -0.052 0.000 2.468 8 D HA 0.119 4.781 4.640 0.036 0.000 0.218 8 D C 0.638 176.930 176.300 -0.014 0.000 1.155 8 D CA -0.251 53.739 54.000 -0.016 0.000 0.924 8 D CB 0.766 41.532 40.800 -0.056 0.000 1.029 8 D HN 0.533 nan 8.370 nan 0.000 0.515 9 L N 3.167 124.423 121.223 0.055 0.000 2.552 9 L HA 0.079 4.441 4.340 0.036 0.000 0.227 9 L C 1.651 178.525 176.870 0.006 0.000 1.146 9 L CA 0.340 55.209 54.840 0.049 0.000 0.858 9 L CB 0.109 42.234 42.059 0.111 0.000 0.969 9 L HN 0.430 nan 8.230 nan 0.000 0.451 10 I N -1.862 118.698 120.570 -0.016 0.000 3.300 10 I HA 0.197 4.389 4.170 0.036 0.000 0.279 10 I C 1.847 177.919 176.117 -0.074 0.000 1.172 10 I CA 0.672 61.958 61.300 -0.024 0.000 1.431 10 I CB -0.146 37.853 38.000 -0.001 0.000 1.240 10 I HN 0.230 nan 8.210 nan 0.000 0.453 11 G N 1.075 109.783 108.800 -0.153 0.000 2.629 11 G HA2 -0.394 3.588 3.960 0.036 0.000 0.313 11 G HA3 -0.394 3.588 3.960 0.036 0.000 0.313 11 G C 0.639 175.414 174.900 -0.208 0.000 1.217 11 G CA 1.034 45.939 45.100 -0.325 0.000 0.994 11 G HN 0.233 nan 8.290 nan 0.000 0.549 12 Y N 2.785 123.050 120.300 -0.057 0.000 2.544 12 Y HA 0.352 4.923 4.550 0.036 0.000 0.286 12 Y C 2.500 178.400 175.900 -0.001 0.000 1.141 12 Y CA 1.319 59.415 58.100 -0.007 0.000 1.299 12 Y CB -0.603 37.858 38.460 0.001 0.000 1.030 12 Y HN 1.520 nan 8.280 nan 0.000 0.543 13 G N 0.521 109.388 108.800 0.113 0.000 2.634 13 G HA2 -0.395 3.586 3.960 0.036 0.000 0.309 13 G HA3 -0.395 3.586 3.960 0.036 0.000 0.309 13 G C 1.293 176.240 174.900 0.079 0.000 1.265 13 G CA 0.986 46.131 45.100 0.074 0.000 0.998 13 G HN 0.473 nan 8.290 nan 0.000 0.551 14 S N 0.723 116.458 115.700 0.058 0.000 2.607 14 S HA 0.140 4.632 4.470 0.036 0.000 0.224 14 S C 0.756 175.378 174.600 0.037 0.000 0.969 14 S CA 1.068 59.292 58.200 0.040 0.000 0.927 14 S CB 0.056 63.273 63.200 0.028 0.000 0.772 14 S HN 0.604 nan 8.310 nan 0.000 0.533 15 N N 2.468 121.203 118.700 0.058 0.000 2.723 15 N HA 0.272 5.033 4.740 0.036 0.000 0.290 15 N C -3.150 172.351 175.510 -0.015 0.000 1.882 15 N CA -1.043 52.025 53.050 0.030 0.000 0.851 15 N CB 1.054 39.569 38.487 0.047 0.000 1.234 15 N HN 0.304 nan 8.380 nan 0.000 0.491 16 P HA 0.151 nan 4.420 nan 0.000 0.268 16 P C -2.312 174.771 177.300 -0.361 0.000 1.204 16 P CA -0.602 62.315 63.100 -0.304 0.000 0.768 16 P CB 0.163 31.778 31.700 -0.140 0.000 0.842 17 P HA 0.001 nan 4.420 nan 0.000 0.269 17 P C -0.184 176.960 177.300 -0.260 0.000 1.209 17 P CA 0.255 63.135 63.100 -0.368 0.000 0.776 17 P CB 0.427 31.810 31.700 -0.528 0.000 0.876 18 H N 4.432 123.325 119.070 -0.296 0.000 2.580 18 H HA 0.175 4.753 4.556 0.037 0.000 0.322 18 H C -1.840 173.153 175.328 -0.557 0.000 1.082 18 H CA -2.138 53.646 56.048 -0.440 0.000 1.383 18 H CB 1.320 30.793 29.762 -0.482 0.000 1.450 18 H HN 0.230 nan 8.280 nan 0.000 0.505 19 P HA 0.021 nan 4.420 nan 0.000 0.234 19 P C -0.716 176.473 177.300 -0.184 0.000 1.175 19 P CA 0.378 63.215 63.100 -0.440 0.000 0.801 19 P CB 0.518 31.375 31.700 -1.405 0.000 0.891 20 H N -2.150 116.975 119.070 0.093 0.000 2.672 20 H HA -0.140 4.438 4.556 0.036 0.000 0.325 20 H C -0.626 174.764 175.328 0.103 0.000 1.158 20 H CA -0.177 55.931 56.048 0.099 0.000 1.134 20 H CB -2.687 27.064 29.762 -0.019 0.000 1.553 20 H HN 0.314 nan 8.280 nan 0.000 0.419 21 W N 1.103 122.467 121.300 0.107 0.000 2.193 21 W HA 0.146 4.828 4.660 0.036 0.000 0.338 21 W C -1.646 174.586 176.519 -0.477 0.000 1.310 21 W CA -2.120 55.042 57.345 -0.305 0.000 1.243 21 W CB 0.195 29.587 29.460 -0.113 0.000 1.165 21 W HN 0.146 nan 8.180 nan 0.000 0.566 22 P HA 0.005 nan 4.420 nan 0.000 0.264 22 P C 0.740 177.779 177.300 -0.436 0.000 1.183 22 P CA 1.563 64.314 63.100 -0.582 0.000 0.763 22 P CB 0.472 31.636 31.700 -0.892 0.000 0.807 23 G N 1.947 110.648 108.800 -0.165 0.000 2.176 23 G HA2 -0.293 3.689 3.960 0.036 0.000 0.253 23 G HA3 -0.293 3.689 3.960 0.036 0.000 0.253 23 G C 0.351 175.261 174.900 0.016 0.000 0.979 23 G CA 0.151 45.221 45.100 -0.049 0.000 0.641 23 G HN 0.548 nan 8.290 nan 0.000 0.530 24 K N -2.056 118.362 120.400 0.029 0.000 3.192 24 K HA -0.158 4.183 4.320 0.036 0.000 0.278 24 K C 0.756 177.420 176.600 0.107 0.000 1.164 24 K CA 1.238 57.574 56.287 0.082 0.000 0.816 24 K CB -2.333 30.205 32.500 0.063 0.000 1.256 24 K HN 2.029 nan 8.250 nan 0.000 0.497 25 A N 0.902 123.809 122.820 0.145 0.000 2.462 25 A HA 0.216 4.557 4.320 0.036 0.000 0.243 25 A C 1.319 179.014 177.584 0.185 0.000 1.076 25 A CA 0.026 52.172 52.037 0.183 0.000 0.773 25 A CB 0.224 19.359 19.000 0.226 0.000 1.010 25 A HN 0.377 nan 8.150 nan 0.000 0.493 26 R N 0.851 121.378 120.500 0.044 0.000 2.297 26 R HA 0.323 4.685 4.340 0.036 0.000 0.197 26 R C 0.024 176.297 176.300 -0.045 0.000 0.943 26 R CA 0.533 56.557 56.100 -0.126 0.000 1.038 26 R CB 0.005 29.977 30.300 -0.548 0.000 0.957 26 R HN 0.727 nan 8.270 nan 0.000 0.484 27 I N -0.558 120.056 120.570 0.074 0.000 2.827 27 I HA 0.419 4.610 4.170 0.036 0.000 0.298 27 I C -1.725 174.333 176.117 -0.099 0.000 1.235 27 I CA -1.008 60.303 61.300 0.017 0.000 1.021 27 I CB 2.126 40.043 38.000 -0.138 0.000 1.259 27 I HN -0.112 nan 8.210 nan 0.000 0.427 28 A N 7.834 130.435 122.820 -0.365 0.000 2.291 28 A HA 0.695 5.036 4.320 0.036 0.000 0.311 28 A C -1.310 175.994 177.584 -0.467 0.000 1.224 28 A CA -0.491 51.142 52.037 -0.673 0.000 0.821 28 A CB 0.691 18.680 19.000 -1.686 0.000 1.172 28 A HN 0.635 nan 8.150 nan 0.000 0.494 29 L N 2.484 123.467 121.223 -0.400 0.000 2.257 29 L HA 0.386 4.747 4.340 0.036 0.000 0.290 29 L C 0.595 177.290 176.870 -0.292 0.000 1.044 29 L CA -0.350 54.315 54.840 -0.292 0.000 0.810 29 L CB 1.751 43.709 42.059 -0.169 0.000 1.193 29 L HN 0.672 nan 8.230 nan 0.000 0.425 30 S N 4.305 119.814 115.700 -0.317 0.000 2.434 30 S HA 0.441 4.932 4.470 0.036 0.000 0.318 30 S C -0.506 173.937 174.600 -0.262 0.000 1.062 30 S CA -0.544 57.491 58.200 -0.276 0.000 1.116 30 S CB -0.122 62.905 63.200 -0.289 0.000 0.977 30 S HN 0.301 nan 8.310 nan 0.000 0.480 31 F N 4.213 124.100 119.950 -0.105 0.000 2.445 31 F HA 0.397 4.944 4.527 0.033 0.000 0.359 31 F C 0.263 175.873 175.800 -0.317 0.000 1.101 31 F CA -0.242 57.692 58.000 -0.110 0.000 1.177 31 F CB 1.184 40.192 39.000 0.014 0.000 1.110 31 F HN 0.198 nan 8.300 nan 0.000 0.522 32 V N 5.842 125.652 119.914 -0.173 0.000 2.448 32 V HA 0.336 4.478 4.120 0.036 0.000 0.295 32 V C -0.779 175.089 176.094 -0.377 0.000 1.025 32 V CA -0.815 61.224 62.300 -0.436 0.000 0.859 32 V CB 1.838 33.212 31.823 -0.748 0.000 0.988 32 V HN 0.452 nan 8.190 nan 0.000 0.431 33 L N 6.260 127.219 121.223 -0.440 0.000 2.276 33 L HA 0.509 4.871 4.340 0.036 0.000 0.286 33 L C 0.321 176.993 176.870 -0.329 0.000 1.024 33 L CA 0.237 54.860 54.840 -0.363 0.000 0.826 33 L CB 0.770 42.604 42.059 -0.375 0.000 1.211 33 L HN 0.591 nan 8.230 nan 0.000 0.422 34 N N 3.475 121.957 118.700 -0.363 0.000 2.444 34 N HA 0.072 4.833 4.740 0.036 0.000 0.255 34 N C -1.393 174.048 175.510 -0.114 0.000 1.255 34 N CA 0.102 53.002 53.050 -0.249 0.000 0.933 34 N CB 0.810 39.040 38.487 -0.428 0.000 1.143 34 N HN 0.536 nan 8.380 nan 0.000 0.453 35 Y N 0.441 120.656 120.300 -0.141 0.000 2.373 35 Y HA 0.196 4.768 4.550 0.036 0.000 0.327 35 Y C -0.190 175.646 175.900 -0.108 0.000 1.036 35 Y CA -0.290 57.717 58.100 -0.154 0.000 1.265 35 Y CB 0.703 39.074 38.460 -0.149 0.000 1.108 35 Y HN 0.589 nan 8.280 nan 0.000 0.471 36 E N 1.627 121.555 120.200 -0.453 0.000 2.571 36 E HA 0.092 4.464 4.350 0.036 0.000 0.222 36 E C -0.553 175.873 176.600 -0.290 0.000 0.904 36 E CA -0.137 56.048 56.400 -0.358 0.000 1.157 36 E CB 0.761 30.012 29.700 -0.749 0.000 1.158 36 E HN 0.501 nan 8.360 nan 0.000 0.540 37 E N 0.879 120.751 120.200 -0.545 0.000 2.415 37 E HA 0.265 4.637 4.350 0.036 0.000 0.260 37 E C 0.941 177.461 176.600 -0.133 0.000 1.016 37 E CA 1.072 57.297 56.400 -0.290 0.000 0.924 37 E CB 0.600 30.027 29.700 -0.455 0.000 0.961 37 E HN 0.342 nan 8.360 nan 0.000 0.459 38 G N 2.349 111.219 108.800 0.117 0.000 2.279 38 G HA2 -0.277 3.705 3.960 0.036 0.000 0.223 38 G HA3 -0.277 3.705 3.960 0.036 0.000 0.223 38 G C 1.082 176.066 174.900 0.141 0.000 1.015 38 G CA 0.029 45.218 45.100 0.148 0.000 0.621 38 G HN 0.728 nan 8.290 nan 0.000 0.506 39 G N 1.055 109.923 108.800 0.113 0.000 2.838 39 G HA2 0.372 4.354 3.960 0.036 0.000 0.210 39 G HA3 0.372 4.354 3.960 0.036 0.000 0.210 39 G C 0.801 175.861 174.900 0.267 0.000 1.153 39 G CA 1.156 46.308 45.100 0.088 0.000 0.778 39 G HN 0.884 nan 8.290 nan 0.000 0.539 40 E N 1.076 121.511 120.200 0.393 0.000 2.416 40 E HA 0.121 4.493 4.350 0.036 0.000 0.254 40 E C -0.429 176.330 176.600 0.265 0.000 1.241 40 E CA -0.469 56.201 56.400 0.450 0.000 0.969 40 E CB 0.658 30.610 29.700 0.419 0.000 0.999 40 E HN 0.033 nan 8.360 nan 0.000 0.481 41 R N 0.722 121.300 120.500 0.131 0.000 2.623 41 R HA 0.190 4.551 4.340 0.036 0.000 0.271 41 R C 0.121 176.330 176.300 -0.153 0.000 1.043 41 R CA 0.498 56.598 56.100 0.001 0.000 1.083 41 R CB 0.124 30.404 30.300 -0.034 0.000 0.974 41 R HN 0.531 nan 8.270 nan 0.000 0.436 42 N N 1.872 120.435 118.700 -0.227 0.000 3.126 42 N HA -0.021 4.741 4.740 0.036 0.000 0.233 42 N C 0.427 175.794 175.510 -0.237 0.000 1.069 42 N CA -0.458 52.375 53.050 -0.362 0.000 1.071 42 N CB 0.881 38.896 38.487 -0.786 0.000 1.683 42 N HN 0.583 nan 8.380 nan 0.000 0.586 43 I N 0.552 121.037 120.570 -0.141 0.000 2.423 43 I HA -0.176 4.015 4.170 0.036 0.000 0.254 43 I C 1.263 177.362 176.117 -0.031 0.000 1.151 43 I CA 1.075 62.337 61.300 -0.063 0.000 1.421 43 I CB -0.139 37.833 38.000 -0.047 0.000 1.079 43 I HN 0.422 nan 8.210 nan 0.000 0.431 44 L N 0.811 121.994 121.223 -0.066 0.000 2.201 44 L HA -0.147 4.214 4.340 0.036 0.000 0.212 44 L C 2.283 179.267 176.870 0.190 0.000 1.105 44 L CA 1.400 56.263 54.840 0.038 0.000 0.775 44 L CB -1.024 41.057 42.059 0.038 0.000 0.913 44 L HN 0.378 nan 8.230 nan 0.000 0.440 45 H N -0.991 118.086 119.070 0.012 0.000 2.539 45 H HA 0.151 4.728 4.556 0.036 0.000 0.267 45 H C 1.643 176.989 175.328 0.029 0.000 0.982 45 H CA 0.210 56.267 56.048 0.015 0.000 1.146 45 H CB 0.502 30.264 29.762 0.001 0.000 1.382 45 H HN 0.467 nan 8.280 nan 0.000 0.577 46 G N 0.997 109.874 108.800 0.128 0.000 2.218 46 G HA2 -0.223 3.758 3.960 0.036 0.000 0.216 46 G HA3 -0.223 3.758 3.960 0.036 0.000 0.216 46 G C -0.184 174.745 174.900 0.048 0.000 0.994 46 G CA -0.129 45.021 45.100 0.082 0.000 0.637 46 G HN 0.344 nan 8.290 nan 0.000 0.505 47 D N 0.859 121.281 120.400 0.037 0.000 2.399 47 D HA 0.218 4.879 4.640 0.036 0.000 0.241 47 D C 1.413 177.702 176.300 -0.019 0.000 1.133 47 D CA 0.653 54.653 54.000 0.000 0.000 0.890 47 D CB 0.937 41.724 40.800 -0.023 0.000 1.201 47 D HN 0.568 nan 8.370 nan 0.000 0.432 48 K N 0.544 120.929 120.400 -0.025 0.000 2.444 48 K HA -0.026 4.316 4.320 0.036 0.000 0.193 48 K C 0.085 176.662 176.600 -0.038 0.000 1.024 48 K CA 0.306 56.576 56.287 -0.029 0.000 1.077 48 K CB 0.286 32.768 32.500 -0.029 0.000 0.833 48 K HN 0.612 nan 8.250 nan 0.000 0.517 49 E N -0.188 119.983 120.200 -0.047 0.000 2.401 49 E HA 0.183 4.555 4.350 0.036 0.000 0.280 49 E C -1.335 175.224 176.600 -0.068 0.000 1.039 49 E CA -1.067 55.302 56.400 -0.053 0.000 0.814 49 E CB 0.956 30.627 29.700 -0.049 0.000 1.275 49 E HN 0.086 nan 8.360 nan 0.000 0.448 50 S N 0.574 116.232 115.700 -0.071 0.000 2.608 50 S HA 0.187 4.679 4.470 0.036 0.000 0.261 50 S C 0.240 174.790 174.600 -0.083 0.000 1.314 50 S CA -0.668 57.478 58.200 -0.090 0.000 0.992 50 S CB 0.720 63.872 63.200 -0.079 0.000 0.935 50 S HN 0.656 nan 8.310 nan 0.000 0.564 51 E N -0.268 119.864 120.200 -0.112 0.000 2.373 51 E HA 0.512 4.884 4.350 0.036 0.000 0.263 51 E C 0.172 176.753 176.600 -0.031 0.000 1.073 51 E CA 0.195 56.543 56.400 -0.088 0.000 0.894 51 E CB 0.856 30.411 29.700 -0.241 0.000 1.008 51 E HN 0.692 nan 8.360 nan 0.000 0.420 52 A N 4.053 126.911 122.820 0.064 0.000 2.480 52 A HA 0.169 4.511 4.320 0.036 0.000 0.191 52 A C -0.287 177.448 177.584 0.252 0.000 1.503 52 A CA -0.378 51.720 52.037 0.101 0.000 1.110 52 A CB 0.091 19.116 19.000 0.042 0.000 1.401 52 A HN 0.509 nan 8.150 nan 0.000 0.533 53 F N 1.665 121.701 119.950 0.142 0.000 2.418 53 F HA 0.491 5.039 4.527 0.036 0.000 0.341 53 F C 0.713 176.752 175.800 0.399 0.000 1.120 53 F CA -1.243 56.904 58.000 0.244 0.000 1.232 53 F CB 0.190 39.322 39.000 0.221 0.000 1.175 53 F HN 0.176 nan 8.300 nan 0.000 0.569 54 L N 4.160 125.558 121.223 0.292 0.000 3.701 54 L HA -0.268 4.094 4.340 0.036 0.000 0.574 54 L C -0.145 176.780 176.870 0.091 0.000 1.049 54 L CA 0.773 55.603 54.840 -0.017 0.000 0.951 54 L CB -1.809 39.990 42.059 -0.432 0.000 1.081 54 L HN 0.688 nan 8.230 nan 0.000 0.729 55 S N -1.307 114.468 115.700 0.125 0.000 2.588 55 S HA 0.480 4.972 4.470 0.036 0.000 0.269 55 S C 0.641 175.276 174.600 0.058 0.000 1.157 55 S CA -1.008 57.267 58.200 0.125 0.000 0.824 55 S CB 1.875 65.219 63.200 0.240 0.000 1.126 55 S HN 0.283 nan 8.310 nan 0.000 0.464 56 E N 0.856 121.069 120.200 0.022 0.000 2.171 56 E HA -0.113 4.259 4.350 0.036 0.000 0.197 56 E C 0.618 177.229 176.600 0.018 0.000 0.997 56 E CA 1.249 57.648 56.400 -0.002 0.000 0.810 56 E CB -0.473 29.205 29.700 -0.035 0.000 0.738 56 E HN 0.692 nan 8.360 nan 0.000 0.467 57 M N 2.093 121.716 119.600 0.038 0.000 3.705 57 M HA -0.029 4.473 4.480 0.036 0.000 0.191 57 M C 1.307 177.636 176.300 0.048 0.000 1.570 57 M CA -0.138 55.185 55.300 0.037 0.000 1.714 57 M CB -0.163 32.462 32.600 0.041 0.000 1.148 57 M HN -0.089 nan 8.290 nan 0.000 0.547 58 V N -2.466 117.471 119.914 0.039 0.000 2.982 58 V HA -0.158 3.984 4.120 0.036 0.000 0.265 58 V C 1.228 177.345 176.094 0.038 0.000 1.122 58 V CA 1.672 63.998 62.300 0.043 0.000 1.143 58 V CB -0.592 31.246 31.823 0.025 0.000 0.726 58 V HN 0.669 nan 8.190 nan 0.000 0.507 59 S N 0.122 115.839 115.700 0.029 0.000 2.749 59 S HA 0.682 5.174 4.470 0.036 0.000 0.246 59 S C 0.872 175.483 174.600 0.019 0.000 1.023 59 S CA 0.098 58.309 58.200 0.019 0.000 1.012 59 S CB 0.429 63.634 63.200 0.009 0.000 0.942 59 S HN 0.888 nan 8.310 nan 0.000 0.531 60 A N 1.914 124.752 122.820 0.030 0.000 2.498 60 A HA 0.390 4.732 4.320 0.036 0.000 0.239 60 A C 0.405 177.999 177.584 0.016 0.000 1.068 60 A CA 0.313 52.364 52.037 0.024 0.000 0.766 60 A CB 0.257 19.279 19.000 0.037 0.000 1.003 60 A HN 0.245 nan 8.150 nan 0.000 0.497 61 Q N 0.799 120.600 119.800 0.002 0.000 2.301 61 Q HA 0.512 4.873 4.340 0.036 0.000 0.267 61 Q C -2.521 173.469 176.000 -0.016 0.000 1.035 61 Q CA -1.876 53.921 55.803 -0.009 0.000 0.856 61 Q CB 1.300 30.029 28.738 -0.014 0.000 1.337 61 Q HN 0.505 nan 8.270 nan 0.000 0.450 62 P HA 0.244 nan 4.420 nan 0.000 0.275 62 P C -0.928 176.353 177.300 -0.033 0.000 1.228 62 P CA -0.190 62.891 63.100 -0.033 0.000 0.786 62 P CB 0.401 32.077 31.700 -0.041 0.000 0.927 63 L N 1.617 122.818 121.223 -0.036 0.000 2.316 63 L HA 0.375 4.737 4.340 0.036 0.000 0.280 63 L C 0.299 177.147 176.870 -0.036 0.000 1.006 63 L CA -1.017 53.803 54.840 -0.033 0.000 0.836 63 L CB 0.943 42.983 42.059 -0.031 0.000 1.221 63 L HN 0.170 nan 8.230 nan 0.000 0.418 64 Q N 2.473 122.253 119.800 -0.033 0.000 2.263 64 Q HA 0.085 4.447 4.340 0.036 0.000 0.289 64 Q C 1.192 177.175 176.000 -0.029 0.000 1.061 64 Q CA 0.843 56.627 55.803 -0.032 0.000 0.927 64 Q CB 0.975 29.695 28.738 -0.030 0.000 1.154 64 Q HN 0.980 nan 8.270 nan 0.000 0.378 65 G N 2.924 111.706 108.800 -0.030 0.000 2.390 65 G HA2 -0.256 3.726 3.960 0.036 0.000 0.299 65 G HA3 -0.256 3.726 3.960 0.036 0.000 0.299 65 G C -0.088 174.796 174.900 -0.027 0.000 1.002 65 G CA 0.557 45.641 45.100 -0.026 0.000 0.979 65 G HN 0.531 nan 8.290 nan 0.000 0.513 66 E N -1.230 118.950 120.200 -0.033 0.000 2.431 66 E HA 0.641 5.013 4.350 0.036 0.000 0.268 66 E C 0.045 176.619 176.600 -0.043 0.000 0.953 66 E CA -1.128 55.252 56.400 -0.032 0.000 0.810 66 E CB 1.323 31.006 29.700 -0.029 0.000 1.369 66 E HN 0.268 nan 8.360 nan 0.000 0.440 67 R N 1.405 121.881 120.500 -0.039 0.000 2.451 67 R HA 0.259 4.621 4.340 0.036 0.000 0.307 67 R C -0.673 175.601 176.300 -0.043 0.000 0.965 67 R CA -0.443 55.627 56.100 -0.049 0.000 0.865 67 R CB 0.712 30.986 30.300 -0.042 0.000 1.174 67 R HN 0.227 nan 8.270 nan 0.000 0.455 68 N N 5.973 124.641 118.700 -0.054 0.000 2.605 68 N HA 0.005 4.767 4.740 0.036 0.000 0.258 68 N C 1.067 176.554 175.510 -0.039 0.000 1.156 68 N CA -0.058 52.966 53.050 -0.044 0.000 1.008 68 N CB 0.712 39.168 38.487 -0.051 0.000 1.354 68 N HN 0.634 nan 8.380 nan 0.000 0.509 69 M N 0.701 120.287 119.600 -0.023 0.000 2.106 69 M HA -0.187 4.314 4.480 0.036 0.000 0.259 69 M C 1.970 178.269 176.300 -0.001 0.000 1.068 69 M CA 1.227 56.521 55.300 -0.011 0.000 1.100 69 M CB -1.511 31.087 32.600 -0.004 0.000 1.351 69 M HN 0.461 nan 8.290 nan 0.000 0.404 70 S N 0.445 116.144 115.700 -0.000 0.000 2.348 70 S HA -0.180 4.312 4.470 0.036 0.000 0.221 70 S C 1.959 176.570 174.600 0.018 0.000 1.033 70 S CA 1.560 59.766 58.200 0.010 0.000 1.010 70 S CB -0.694 62.510 63.200 0.007 0.000 0.891 70 S HN 0.366 nan 8.310 nan 0.000 0.442 71 M N 2.268 121.865 119.600 -0.004 0.000 2.082 71 M HA -0.108 4.394 4.480 0.036 0.000 0.258 71 M C 2.000 178.284 176.300 -0.026 0.000 1.069 71 M CA 1.668 56.955 55.300 -0.021 0.000 1.102 71 M CB -0.917 31.634 32.600 -0.083 0.000 1.336 71 M HN 0.386 nan 8.290 nan 0.000 0.404 72 E N -1.181 118.992 120.200 -0.045 0.000 2.070 72 E HA -0.226 4.146 4.350 0.036 0.000 0.197 72 E C 2.113 178.764 176.600 0.085 0.000 1.004 72 E CA 1.653 58.047 56.400 -0.010 0.000 0.805 72 E CB -0.359 29.331 29.700 -0.016 0.000 0.744 72 E HN 0.569 nan 8.360 nan 0.000 0.451 73 S N 0.412 116.157 115.700 0.076 0.000 2.359 73 S HA -0.142 4.350 4.470 0.036 0.000 0.224 73 S C 1.996 176.685 174.600 0.147 0.000 1.035 73 S CA 0.893 59.153 58.200 0.100 0.000 1.018 73 S CB -0.220 63.022 63.200 0.070 0.000 0.876 73 S HN 0.177 nan 8.310 nan 0.000 0.448 74 L N -0.234 121.076 121.223 0.145 0.000 2.042 74 L HA -0.157 4.205 4.340 0.036 0.000 0.210 74 L C 2.364 179.386 176.870 0.253 0.000 1.076 74 L CA 1.564 56.504 54.840 0.166 0.000 0.749 74 L CB -0.636 41.511 42.059 0.146 0.000 0.893 74 L HN 0.380 nan 8.230 nan 0.000 0.432 75 Y N 0.439 120.762 120.300 0.039 0.000 2.181 75 Y HA -0.255 4.317 4.550 0.036 0.000 0.288 75 Y C 2.577 178.495 175.900 0.030 0.000 1.146 75 Y CA 1.224 59.332 58.100 0.013 0.000 1.164 75 Y CB -0.521 37.938 38.460 -0.001 0.000 0.982 75 Y HN 0.205 nan 8.280 nan 0.000 0.515 76 E N -1.336 118.994 120.200 0.215 0.000 2.171 76 E HA -0.308 4.064 4.350 0.036 0.000 0.197 76 E C 1.813 178.499 176.600 0.143 0.000 0.997 76 E CA 1.456 57.948 56.400 0.153 0.000 0.810 76 E CB -0.436 29.349 29.700 0.141 0.000 0.738 76 E HN 0.569 nan 8.360 nan 0.000 0.467 77 Y N 0.369 120.696 120.300 0.045 0.000 2.274 77 Y HA -0.144 4.428 4.550 0.036 0.000 0.290 77 Y C 2.162 178.060 175.900 -0.004 0.000 1.145 77 Y CA 1.587 59.703 58.100 0.027 0.000 1.203 77 Y CB -0.380 38.085 38.460 0.009 0.000 0.984 77 Y HN 0.012 nan 8.280 nan 0.000 0.533 78 G N -1.024 107.784 108.800 0.013 0.000 2.402 78 G HA2 -0.253 3.729 3.960 0.036 0.000 0.216 78 G HA3 -0.253 3.729 3.960 0.036 0.000 0.216 78 G C 1.789 176.593 174.900 -0.160 0.000 1.162 78 G CA 1.113 46.141 45.100 -0.120 0.000 0.777 78 G HN 0.499 nan 8.290 nan 0.000 0.539 79 S N 0.338 115.981 115.700 -0.095 0.000 2.395 79 S HA 0.061 4.553 4.470 0.036 0.000 0.225 79 S C 2.228 176.886 174.600 0.096 0.000 1.027 79 S CA 0.670 58.888 58.200 0.030 0.000 0.965 79 S CB -0.192 63.108 63.200 0.166 0.000 0.812 79 S HN 0.366 nan 8.310 nan 0.000 0.482 80 R N 1.170 121.727 120.500 0.094 0.000 2.062 80 R HA 0.211 4.573 4.340 0.036 0.000 0.229 80 R C 2.279 178.677 176.300 0.163 0.000 1.128 80 R CA 1.419 57.615 56.100 0.159 0.000 0.960 80 R CB -0.260 30.086 30.300 0.077 0.000 0.855 80 R HN 0.564 nan 8.270 nan 0.000 0.432 81 A N -1.040 121.704 122.820 -0.127 0.000 1.917 81 A HA 0.251 4.593 4.320 0.036 0.000 0.200 81 A C 2.044 179.498 177.584 -0.217 0.000 1.671 81 A CA 0.453 52.377 52.037 -0.189 0.000 1.034 81 A CB -0.533 18.146 19.000 -0.535 0.000 1.057 81 A HN 0.335 nan 8.150 nan 0.000 0.507 82 G N 0.006 108.551 108.800 -0.425 0.000 2.459 82 G HA2 -0.149 3.833 3.960 0.036 0.000 0.217 82 G HA3 -0.149 3.833 3.960 0.036 0.000 0.217 82 G C 1.629 176.467 174.900 -0.104 0.000 1.183 82 G CA 1.603 46.586 45.100 -0.195 0.000 0.776 82 G HN 0.743 nan 8.290 nan 0.000 0.552 83 V N -0.092 119.707 119.914 -0.191 0.000 2.332 83 V HA -0.179 3.963 4.120 0.036 0.000 0.248 83 V C 2.413 178.369 176.094 -0.231 0.000 1.055 83 V CA 2.335 64.477 62.300 -0.263 0.000 1.038 83 V CB -0.434 31.130 31.823 -0.432 0.000 0.651 83 V HN 0.613 nan 8.190 nan 0.000 0.450 84 W N 0.235 121.506 121.300 -0.048 0.000 2.353 84 W HA -0.158 4.523 4.660 0.035 0.000 0.319 84 W C 2.774 179.289 176.519 -0.008 0.000 1.207 84 W CA 1.831 59.158 57.345 -0.030 0.000 1.291 84 W CB -0.576 28.864 29.460 -0.034 0.000 1.159 84 W HN 0.097 nan 8.180 nan 0.000 0.478 85 R N 0.666 121.299 120.500 0.222 0.000 2.133 85 R HA -0.229 4.132 4.340 0.036 0.000 0.247 85 R C 1.769 178.141 176.300 0.121 0.000 1.151 85 R CA 2.235 58.417 56.100 0.137 0.000 0.971 85 R CB -0.657 29.700 30.300 0.094 0.000 0.866 85 R HN 0.252 nan 8.270 nan 0.000 0.447 86 I N 0.423 121.058 120.570 0.109 0.000 2.353 86 I HA -0.226 3.966 4.170 0.036 0.000 0.248 86 I C 2.167 178.409 176.117 0.207 0.000 1.119 86 I CA 0.824 62.217 61.300 0.155 0.000 1.417 86 I CB -0.135 37.937 38.000 0.120 0.000 1.078 86 I HN 0.160 nan 8.210 nan 0.000 0.421 87 L N 0.592 121.894 121.223 0.132 0.000 2.083 87 L HA -0.216 4.146 4.340 0.036 0.000 0.209 87 L C 2.544 179.537 176.870 0.206 0.000 1.083 87 L CA 1.489 56.423 54.840 0.158 0.000 0.752 87 L CB -0.571 41.567 42.059 0.130 0.000 0.899 87 L HN 0.223 nan 8.230 nan 0.000 0.433 88 K N -0.243 120.263 120.400 0.176 0.000 2.057 88 K HA -0.216 4.126 4.320 0.036 0.000 0.207 88 K C 2.027 178.695 176.600 0.113 0.000 1.049 88 K CA 1.171 57.537 56.287 0.130 0.000 0.931 88 K CB -0.397 32.163 32.500 0.100 0.000 0.714 88 K HN 0.105 nan 8.250 nan 0.000 0.440 89 L N 0.792 122.080 121.223 0.108 0.000 1.989 89 L HA -0.152 4.210 4.340 0.036 0.000 0.211 89 L C 2.016 178.875 176.870 -0.019 0.000 1.071 89 L CA 1.740 56.597 54.840 0.030 0.000 0.749 89 L CB -0.557 41.457 42.059 -0.075 0.000 0.890 89 L HN 0.009 nan 8.230 nan 0.000 0.431 90 F N 0.284 120.241 119.950 0.011 0.000 2.146 90 F HA -0.150 4.400 4.527 0.037 0.000 0.298 90 F C 2.581 178.410 175.800 0.050 0.000 1.096 90 F CA 1.908 59.890 58.000 -0.031 0.000 1.275 90 F CB -0.596 38.338 39.000 -0.110 0.000 1.008 90 F HN 0.127 nan 8.300 nan 0.000 0.480 91 K N 1.136 121.684 120.400 0.246 0.000 2.097 91 K HA -0.174 4.167 4.320 0.036 0.000 0.206 91 K C 2.144 178.775 176.600 0.051 0.000 1.049 91 K CA 1.294 57.669 56.287 0.146 0.000 0.933 91 K CB -0.414 32.162 32.500 0.128 0.000 0.717 91 K HN 0.222 nan 8.250 nan 0.000 0.442 92 A N 0.447 123.287 122.820 0.033 0.000 1.986 92 A HA -0.135 4.207 4.320 0.036 0.000 0.220 92 A C 1.554 178.971 177.584 -0.279 0.000 1.171 92 A CA 1.358 53.334 52.037 -0.101 0.000 0.640 92 A CB -0.531 18.431 19.000 -0.064 0.000 0.811 92 A HN 0.418 nan 8.150 nan 0.000 0.451 93 F N -1.543 118.310 119.950 -0.161 0.000 2.678 93 F HA 0.193 4.742 4.527 0.037 0.000 0.305 93 F C 0.679 176.361 175.800 -0.196 0.000 1.090 93 F CA 0.211 58.082 58.000 -0.215 0.000 1.272 93 F CB 0.482 39.282 39.000 -0.334 0.000 1.060 93 F HN 0.246 nan 8.300 nan 0.000 0.576 94 D N 1.911 122.311 120.400 -0.000 0.000 2.837 94 D HA -0.232 4.429 4.640 0.036 0.000 0.230 94 D C -0.047 176.250 176.300 -0.005 0.000 1.152 94 D CA 0.562 54.562 54.000 -0.001 0.000 0.736 94 D CB -0.995 39.789 40.800 -0.026 0.000 1.084 94 D HN 0.409 nan 8.370 nan 0.000 0.429 95 I N -1.808 118.766 120.570 0.007 0.000 2.437 95 I HA 0.668 4.859 4.170 0.036 0.000 0.298 95 I C -2.540 173.681 176.117 0.172 0.000 0.984 95 I CA -1.690 59.617 61.300 0.012 0.000 1.214 95 I CB 2.054 39.952 38.000 -0.172 0.000 1.365 95 I HN -0.207 nan 8.210 nan 0.000 0.469 96 P HA 0.494 nan 4.420 nan 0.000 0.281 96 P C -1.252 176.088 177.300 0.066 0.000 1.264 96 P CA -0.591 62.611 63.100 0.171 0.000 0.824 96 P CB 2.208 33.971 31.700 0.105 0.000 1.092 97 L N 0.094 121.334 121.223 0.028 0.000 2.323 97 L HA 0.522 4.883 4.340 0.036 0.000 0.265 97 L C 0.203 176.963 176.870 -0.183 0.000 1.012 97 L CA -0.491 54.171 54.840 -0.297 0.000 0.820 97 L CB 2.114 43.697 42.059 -0.794 0.000 1.334 97 L HN 0.265 nan 8.230 nan 0.000 0.427 98 T N 2.765 117.167 114.554 -0.252 0.000 2.758 98 T HA 0.497 4.868 4.350 0.036 0.000 0.285 98 T C -0.270 174.249 174.700 -0.302 0.000 0.981 98 T CA -0.334 61.638 62.100 -0.214 0.000 0.965 98 T CB 0.887 69.613 68.868 -0.237 0.000 0.927 98 T HN 0.138 nan 8.240 nan 0.000 0.448 99 I N 3.943 124.411 120.570 -0.171 0.000 2.304 99 I HA 0.258 4.450 4.170 0.036 0.000 0.291 99 I C -0.364 175.774 176.117 0.036 0.000 1.018 99 I CA -0.803 60.410 61.300 -0.145 0.000 1.260 99 I CB 0.597 38.528 38.000 -0.115 0.000 1.390 99 I HN 0.553 nan 8.210 nan 0.000 0.475 100 F N 5.582 125.395 119.950 -0.228 0.000 2.515 100 F HA 0.320 4.869 4.527 0.037 0.000 0.353 100 F C 0.877 176.649 175.800 -0.047 0.000 1.213 100 F CA -1.093 56.767 58.000 -0.235 0.000 1.194 100 F CB -0.063 38.622 39.000 -0.526 0.000 1.488 100 F HN 0.419 nan 8.300 nan 0.000 0.619 101 A N 3.401 126.319 122.820 0.162 0.000 2.260 101 A HA 0.611 4.952 4.320 0.036 0.000 0.314 101 A C -0.499 177.159 177.584 0.123 0.000 1.257 101 A CA -0.552 51.573 52.037 0.148 0.000 0.871 101 A CB 0.646 19.683 19.000 0.061 0.000 1.166 101 A HN 0.274 nan 8.150 nan 0.000 0.522 102 V N 3.841 123.837 119.914 0.136 0.000 2.408 102 V HA 0.273 4.415 4.120 0.036 0.000 0.267 102 V C 1.677 177.804 176.094 0.055 0.000 1.047 102 V CA 0.554 62.880 62.300 0.042 0.000 0.937 102 V CB 0.312 32.134 31.823 -0.002 0.000 0.999 102 V HN 1.197 nan 8.190 nan 0.000 0.472 103 A N 5.503 128.357 122.820 0.056 0.000 1.935 103 A HA -0.330 4.012 4.320 0.036 0.000 0.224 103 A C 2.060 179.666 177.584 0.037 0.000 1.324 103 A CA 2.852 54.951 52.037 0.103 0.000 0.686 103 A CB -0.567 18.602 19.000 0.282 0.000 0.837 103 A HN 0.778 nan 8.150 nan 0.000 0.481 104 M N -1.343 118.186 119.600 -0.118 0.000 2.229 104 M HA -0.112 4.390 4.480 0.036 0.000 0.264 104 M C 2.330 178.606 176.300 -0.041 0.000 1.063 104 M CA 1.451 56.646 55.300 -0.176 0.000 1.114 104 M CB -0.328 32.034 32.600 -0.396 0.000 1.387 104 M HN 0.546 nan 8.290 nan 0.000 0.420 105 A N -0.121 122.726 122.820 0.045 0.000 1.929 105 A HA 0.011 4.352 4.320 0.036 0.000 0.216 105 A C 2.237 179.990 177.584 0.282 0.000 1.176 105 A CA 1.553 53.700 52.037 0.185 0.000 0.628 105 A CB -0.853 18.271 19.000 0.207 0.000 0.816 105 A HN 0.556 nan 8.150 nan 0.000 0.444 106 A N -0.629 122.297 122.820 0.177 0.000 1.933 106 A HA -0.188 4.153 4.320 0.036 0.000 0.218 106 A C 2.132 179.762 177.584 0.077 0.000 1.175 106 A CA 1.655 53.736 52.037 0.075 0.000 0.628 106 A CB -0.454 18.571 19.000 0.042 0.000 0.814 106 A HN 0.543 nan 8.150 nan 0.000 0.444 107 Q N 0.007 119.854 119.800 0.079 0.000 1.993 107 Q HA -0.167 4.194 4.340 0.036 0.000 0.202 107 Q C 2.053 178.100 176.000 0.079 0.000 0.984 107 Q CA 1.511 57.354 55.803 0.067 0.000 0.837 107 Q CB -0.572 28.198 28.738 0.053 0.000 0.902 107 Q HN 0.680 nan 8.270 nan 0.000 0.423 108 R N 0.055 120.610 120.500 0.091 0.000 2.316 108 R HA -0.102 4.259 4.340 0.036 0.000 0.232 108 R C 0.461 176.852 176.300 0.152 0.000 1.137 108 R CA 0.889 57.051 56.100 0.103 0.000 1.012 108 R CB -0.239 30.124 30.300 0.106 0.000 0.859 108 R HN 0.440 nan 8.270 nan 0.000 0.474 109 H N -0.807 118.313 119.070 0.083 0.000 2.696 109 H HA 0.125 4.702 4.556 0.036 0.000 0.221 109 H C -1.939 173.366 175.328 -0.038 0.000 1.399 109 H CA -1.264 54.815 56.048 0.051 0.000 1.408 109 H CB 1.207 31.029 29.762 0.101 0.000 1.853 109 H HN -0.121 nan 8.280 nan 0.000 0.546 110 P HA -0.105 nan 4.420 nan 0.000 0.220 110 P C 1.010 178.365 177.300 0.091 0.000 1.152 110 P CA 0.874 64.021 63.100 0.078 0.000 0.812 110 P CB 0.772 32.511 31.700 0.065 0.000 0.792 111 D N -0.087 120.430 120.400 0.194 0.000 2.104 111 D HA -0.121 4.541 4.640 0.036 0.000 0.194 111 D C 2.036 178.431 176.300 0.159 0.000 0.994 111 D CA 0.808 54.933 54.000 0.207 0.000 0.830 111 D CB -0.872 40.104 40.800 0.292 0.000 0.959 111 D HN -0.098 nan 8.370 nan 0.000 0.452 112 V N 0.598 120.550 119.914 0.065 0.000 2.548 112 V HA -0.154 3.988 4.120 0.036 0.000 0.249 112 V C 2.081 177.962 176.094 -0.355 0.000 1.055 112 V CA 0.730 62.810 62.300 -0.367 0.000 1.065 112 V CB -0.160 30.953 31.823 -1.183 0.000 0.681 112 V HN 0.143 nan 8.190 nan 0.000 0.462 113 I N 0.136 120.525 120.570 -0.302 0.000 2.142 113 I HA -0.199 3.992 4.170 0.036 0.000 0.240 113 I C 2.612 178.670 176.117 -0.098 0.000 1.078 113 I CA 1.733 62.898 61.300 -0.224 0.000 1.343 113 I CB -1.431 36.469 38.000 -0.168 0.000 1.046 113 I HN 0.323 nan 8.210 nan 0.000 0.405 114 R N 0.575 121.050 120.500 -0.042 0.000 2.152 114 R HA -0.070 4.292 4.340 0.036 0.000 0.232 114 R C 2.275 178.578 176.300 0.005 0.000 1.117 114 R CA 1.285 57.383 56.100 -0.004 0.000 0.981 114 R CB -0.290 30.022 30.300 0.021 0.000 0.870 114 R HN 0.368 nan 8.270 nan 0.000 0.451 115 A N 0.783 123.613 122.820 0.017 0.000 1.969 115 A HA -0.127 4.215 4.320 0.036 0.000 0.218 115 A C 2.085 179.683 177.584 0.023 0.000 1.169 115 A CA 1.075 53.146 52.037 0.057 0.000 0.635 115 A CB -0.244 18.858 19.000 0.171 0.000 0.810 115 A HN 0.164 nan 8.150 nan 0.000 0.445 116 M N -0.988 118.605 119.600 -0.012 0.000 2.098 116 M HA -0.101 4.400 4.480 0.036 0.000 0.262 116 M C 2.086 178.387 176.300 0.002 0.000 1.072 116 M CA 1.345 56.685 55.300 0.067 0.000 1.133 116 M CB -0.441 32.174 32.600 0.026 0.000 1.344 116 M HN 0.195 nan 8.290 nan 0.000 0.414 117 V N 0.644 120.551 119.914 -0.013 0.000 2.380 117 V HA -0.316 3.826 4.120 0.036 0.000 0.251 117 V C 2.532 178.599 176.094 -0.044 0.000 1.063 117 V CA 2.114 64.403 62.300 -0.018 0.000 1.055 117 V CB -1.253 30.565 31.823 -0.008 0.000 0.657 117 V HN 0.565 nan 8.190 nan 0.000 0.455 118 A N -0.487 122.307 122.820 -0.044 0.000 2.014 118 A HA 0.107 4.449 4.320 0.036 0.000 0.218 118 A C 2.311 179.836 177.584 -0.098 0.000 1.163 118 A CA 1.453 53.461 52.037 -0.048 0.000 0.652 118 A CB -0.481 18.509 19.000 -0.018 0.000 0.808 118 A HN 0.571 nan 8.150 nan 0.000 0.449 119 A N -1.765 120.945 122.820 -0.183 0.000 2.119 119 A HA 0.364 4.706 4.320 0.036 0.000 0.217 119 A C 1.909 179.249 177.584 -0.406 0.000 1.153 119 A CA 1.491 53.326 52.037 -0.337 0.000 0.692 119 A CB -0.715 17.949 19.000 -0.560 0.000 0.799 119 A HN 1.788 nan 8.150 nan 0.000 0.458 120 G N -1.860 106.764 108.800 -0.293 0.000 2.179 120 G HA2 -0.222 3.760 3.960 0.036 0.000 0.220 120 G HA3 -0.222 3.760 3.960 0.036 0.000 0.220 120 G C 0.041 174.881 174.900 -0.099 0.000 0.990 120 G CA 0.182 45.187 45.100 -0.157 0.000 0.646 120 G HN 0.794 nan 8.290 nan 0.000 0.517 121 H N 1.047 120.101 119.070 -0.027 0.000 2.897 121 H HA 0.401 4.979 4.556 0.036 0.000 0.347 121 H C 0.663 175.970 175.328 -0.035 0.000 1.068 121 H CA 0.520 56.537 56.048 -0.051 0.000 1.426 121 H CB 0.818 30.526 29.762 -0.091 0.000 1.410 121 H HN 0.388 nan 8.280 nan 0.000 0.597 122 E N 3.183 123.444 120.200 0.101 0.000 2.313 122 E HA 0.079 4.451 4.350 0.036 0.000 0.276 122 E C -0.615 176.021 176.600 0.059 0.000 1.031 122 E CA -0.624 55.819 56.400 0.072 0.000 0.857 122 E CB 0.620 30.365 29.700 0.074 0.000 1.040 122 E HN 0.438 nan 8.360 nan 0.000 0.408 123 I N 5.536 126.146 120.570 0.067 0.000 2.307 123 I HA 0.108 4.299 4.170 0.036 0.000 0.287 123 I C 0.320 176.496 176.117 0.099 0.000 1.054 123 I CA -0.485 60.850 61.300 0.058 0.000 1.218 123 I CB 0.179 38.202 38.000 0.038 0.000 1.398 123 I HN 0.547 nan 8.210 nan 0.000 0.475 124 C N 5.080 124.459 119.300 0.131 0.000 2.398 124 C HA 0.474 4.956 4.460 0.036 0.000 0.364 124 C C 1.124 176.151 174.990 0.062 0.000 1.219 124 C CA -0.174 58.935 59.018 0.153 0.000 2.312 124 C CB 1.297 29.211 27.740 0.289 0.000 2.428 124 C HN 0.837 nan 8.230 nan 0.000 0.564 125 S N 1.794 117.491 115.700 -0.005 0.000 2.531 125 S HA 0.153 4.645 4.470 0.036 0.000 0.279 125 S C 0.490 174.775 174.600 -0.526 0.000 1.305 125 S CA 0.119 58.216 58.200 -0.172 0.000 1.058 125 S CB 0.022 63.197 63.200 -0.041 0.000 0.899 125 S HN 0.984 nan 8.310 nan 0.000 0.493 126 H N 2.996 121.734 119.070 -0.554 0.000 2.528 126 H HA 0.409 4.987 4.556 0.036 0.000 0.282 126 H C 0.820 175.790 175.328 -0.597 0.000 1.097 126 H CA 0.097 55.801 56.048 -0.573 0.000 1.121 126 H CB -0.255 29.403 29.762 -0.174 0.000 1.590 126 H HN 1.013 nan 8.280 nan 0.000 0.553 127 G N 0.377 108.650 108.800 -0.878 0.000 2.592 127 G HA2 -0.330 3.652 3.960 0.036 0.000 0.684 127 G HA3 -0.330 3.652 3.960 0.036 0.000 0.684 127 G C -0.507 174.408 174.900 0.025 0.000 1.291 127 G CA -0.053 44.737 45.100 -0.516 0.000 0.891 127 G HN 0.265 nan 8.290 nan 0.000 0.544 128 Y N 1.383 121.805 120.300 0.202 0.000 2.286 128 Y HA 0.341 4.912 4.550 0.036 0.000 0.293 128 Y C 1.529 177.501 175.900 0.119 0.000 1.124 128 Y CA 1.928 60.111 58.100 0.139 0.000 1.178 128 Y CB 0.233 38.715 38.460 0.038 0.000 1.010 128 Y HN 0.587 nan 8.280 nan 0.000 0.536 129 R N -1.319 119.235 120.500 0.091 0.000 2.651 129 R HA 0.064 4.426 4.340 0.036 0.000 0.278 129 R C -1.831 174.583 176.300 0.189 0.000 1.010 129 R CA -0.845 55.261 56.100 0.010 0.000 0.896 129 R CB 0.399 30.691 30.300 -0.014 0.000 1.211 129 R HN 0.198 nan 8.270 nan 0.000 0.456 130 W N 5.938 127.222 121.300 -0.027 0.000 2.351 130 W HA 0.313 4.995 4.660 0.036 0.000 0.421 130 W C -0.283 176.279 176.519 0.072 0.000 1.000 130 W CA -0.211 57.129 57.345 -0.010 0.000 1.610 130 W CB -0.345 29.123 29.460 0.013 0.000 1.700 130 W HN 0.584 nan 8.180 nan 0.000 0.351 131 I N 0.494 120.935 120.570 -0.215 0.000 3.434 131 I HA 0.447 4.638 4.170 0.036 0.000 0.317 131 I C -0.782 175.174 176.117 -0.268 0.000 1.230 131 I CA -1.238 59.867 61.300 -0.324 0.000 0.918 131 I CB 1.760 39.606 38.000 -0.257 0.000 1.337 131 I HN -0.168 nan 8.210 nan 0.000 0.482 132 D N 0.752 120.994 120.400 -0.263 0.000 2.380 132 D HA 0.269 4.931 4.640 0.036 0.000 0.230 132 D C -0.126 176.076 176.300 -0.164 0.000 1.154 132 D CA 0.101 54.006 54.000 -0.157 0.000 0.859 132 D CB 0.531 41.231 40.800 -0.167 0.000 1.045 132 D HN 0.532 nan 8.370 nan 0.000 0.495 133 Y N 2.051 122.301 120.300 -0.082 0.000 2.519 133 Y HA -0.076 4.496 4.550 0.036 0.000 0.287 133 Y C 2.341 178.192 175.900 -0.082 0.000 1.128 133 Y CA 0.353 58.419 58.100 -0.057 0.000 1.282 133 Y CB -0.015 38.432 38.460 -0.021 0.000 1.027 133 Y HN 0.452 nan 8.280 nan 0.000 0.551 134 Q N -0.315 119.467 119.800 -0.030 0.000 2.250 134 Q HA -0.291 4.070 4.340 0.036 0.000 0.215 134 Q C 0.899 176.748 176.000 -0.253 0.000 1.002 134 Q CA 2.435 58.112 55.803 -0.210 0.000 0.910 134 Q CB -0.411 28.071 28.738 -0.427 0.000 0.939 134 Q HN 0.567 nan 8.270 nan 0.000 0.416 135 Y N -1.202 119.085 120.300 -0.022 0.000 2.458 135 Y HA 0.299 4.871 4.550 0.036 0.000 0.254 135 Y C 0.684 176.563 175.900 -0.035 0.000 1.120 135 Y CA -0.288 57.792 58.100 -0.033 0.000 1.282 135 Y CB 0.140 38.569 38.460 -0.052 0.000 1.109 135 Y HN 0.143 nan 8.280 nan 0.000 0.526 136 M N 1.850 121.503 119.600 0.089 0.000 2.252 136 M HA -0.007 4.495 4.480 0.036 0.000 0.329 136 M C -0.228 176.099 176.300 0.045 0.000 1.101 136 M CA 0.171 55.490 55.300 0.033 0.000 1.117 136 M CB 0.351 32.949 32.600 -0.004 0.000 1.563 136 M HN 0.218 nan 8.290 nan 0.000 0.445 137 D N 3.355 123.768 120.400 0.021 0.000 2.414 137 D HA -0.054 4.608 4.640 0.036 0.000 0.242 137 D C 0.358 176.669 176.300 0.019 0.000 1.129 137 D CA -0.090 53.921 54.000 0.019 0.000 0.885 137 D CB 0.689 41.494 40.800 0.009 0.000 1.198 137 D HN 0.764 nan 8.370 nan 0.000 0.437 138 E N 1.695 121.904 120.200 0.015 0.000 2.070 138 E HA -0.258 4.114 4.350 0.036 0.000 0.197 138 E C 1.861 178.465 176.600 0.007 0.000 1.004 138 E CA 1.643 58.047 56.400 0.007 0.000 0.805 138 E CB -0.078 29.621 29.700 -0.002 0.000 0.744 138 E HN 0.581 nan 8.360 nan 0.000 0.451 139 A N 0.904 123.729 122.820 0.008 0.000 1.849 139 A HA -0.287 4.055 4.320 0.036 0.000 0.217 139 A C 2.228 179.826 177.584 0.024 0.000 1.202 139 A CA 1.900 53.943 52.037 0.011 0.000 0.629 139 A CB -0.909 18.097 19.000 0.010 0.000 0.834 139 A HN 0.438 nan 8.150 nan 0.000 0.447 140 Q N -0.987 118.826 119.800 0.023 0.000 2.437 140 Q HA -0.167 4.195 4.340 0.036 0.000 0.210 140 Q C 1.915 177.936 176.000 0.034 0.000 0.972 140 Q CA 1.363 57.187 55.803 0.035 0.000 0.903 140 Q CB 0.002 28.746 28.738 0.009 0.000 0.967 140 Q HN 0.864 nan 8.270 nan 0.000 0.486 141 E N 0.084 120.306 120.200 0.037 0.000 2.190 141 E HA -0.140 4.232 4.350 0.036 0.000 0.191 141 E C 1.940 178.601 176.600 0.100 0.000 0.978 141 E CA 0.130 56.586 56.400 0.093 0.000 0.839 141 E CB 0.109 29.875 29.700 0.110 0.000 0.787 141 E HN 0.148 nan 8.360 nan 0.000 0.473 142 R N 0.622 121.146 120.500 0.039 0.000 2.120 142 R HA -0.097 4.265 4.340 0.036 0.000 0.234 142 R C 1.584 177.900 176.300 0.027 0.000 1.123 142 R CA 1.530 57.630 56.100 -0.001 0.000 0.975 142 R CB 0.138 30.427 30.300 -0.018 0.000 0.866 142 R HN 0.083 nan 8.270 nan 0.000 0.446 143 E N -0.905 119.339 120.200 0.073 0.000 2.474 143 E HA -0.043 4.329 4.350 0.036 0.000 0.195 143 E C 1.209 177.861 176.600 0.087 0.000 1.039 143 E CA 0.046 56.480 56.400 0.055 0.000 0.881 143 E CB 0.165 29.881 29.700 0.027 0.000 0.970 143 E HN 0.576 nan 8.360 nan 0.000 0.486 144 H N 0.689 119.786 119.070 0.044 0.000 2.353 144 H HA -0.087 4.490 4.556 0.036 0.000 0.300 144 H C 2.290 177.727 175.328 0.182 0.000 1.090 144 H CA 1.589 57.708 56.048 0.119 0.000 1.327 144 H CB 0.176 30.174 29.762 0.394 0.000 1.383 144 H HN 0.159 nan 8.280 nan 0.000 0.508 145 M N 0.802 120.556 119.600 0.256 0.000 2.067 145 M HA -0.168 4.333 4.480 0.036 0.000 0.260 145 M C 1.930 178.320 176.300 0.150 0.000 1.069 145 M CA 1.621 57.009 55.300 0.147 0.000 1.117 145 M CB -0.141 32.278 32.600 -0.300 0.000 1.334 145 M HN 0.142 nan 8.290 nan 0.000 0.407 146 L N 0.012 121.263 121.223 0.045 0.000 2.083 146 L HA -0.180 4.181 4.340 0.036 0.000 0.209 146 L C 2.520 179.398 176.870 0.014 0.000 1.083 146 L CA 1.484 56.336 54.840 0.020 0.000 0.752 146 L CB -0.956 41.093 42.059 -0.016 0.000 0.899 146 L HN 0.404 nan 8.230 nan 0.000 0.433 147 E N 0.815 120.989 120.200 -0.042 0.000 2.110 147 E HA -0.203 4.169 4.350 0.036 0.000 0.193 147 E C 2.103 178.680 176.600 -0.038 0.000 0.988 147 E CA 1.537 57.846 56.400 -0.152 0.000 0.804 147 E CB -0.041 29.376 29.700 -0.472 0.000 0.745 147 E HN 0.375 nan 8.360 nan 0.000 0.458 148 A N 0.467 123.363 122.820 0.127 0.000 1.897 148 A HA -0.053 4.289 4.320 0.036 0.000 0.215 148 A C 2.318 180.058 177.584 0.260 0.000 1.181 148 A CA 1.207 53.422 52.037 0.296 0.000 0.620 148 A CB -0.600 18.686 19.000 0.476 0.000 0.821 148 A HN 0.350 nan 8.150 nan 0.000 0.443 149 I N -1.192 119.537 120.570 0.267 0.000 2.335 149 I HA -0.270 3.922 4.170 0.036 0.000 0.251 149 I C 2.769 178.937 176.117 0.085 0.000 1.129 149 I CA 1.517 62.924 61.300 0.179 0.000 1.402 149 I CB -0.250 37.800 38.000 0.084 0.000 1.069 149 I HN 0.301 nan 8.210 nan 0.000 0.424 150 R N 0.796 121.334 120.500 0.063 0.000 2.062 150 R HA 0.015 4.376 4.340 0.036 0.000 0.226 150 R C 2.312 178.642 176.300 0.050 0.000 1.125 150 R CA 1.011 57.132 56.100 0.035 0.000 0.966 150 R CB -0.125 30.182 30.300 0.010 0.000 0.861 150 R HN 0.186 nan 8.270 nan 0.000 0.433 151 I N 0.611 121.224 120.570 0.073 0.000 2.151 151 I HA -0.346 3.846 4.170 0.036 0.000 0.243 151 I C 1.927 178.090 176.117 0.077 0.000 1.080 151 I CA 1.478 62.829 61.300 0.084 0.000 1.339 151 I CB -0.185 37.893 38.000 0.130 0.000 1.039 151 I HN 0.202 nan 8.210 nan 0.000 0.409 152 L N -0.454 120.823 121.223 0.090 0.000 2.240 152 L HA -0.133 4.228 4.340 0.036 0.000 0.211 152 L C 2.529 179.432 176.870 0.056 0.000 1.106 152 L CA 1.073 55.958 54.840 0.074 0.000 0.793 152 L CB -0.586 41.528 42.059 0.092 0.000 0.927 152 L HN 0.225 nan 8.230 nan 0.000 0.446 153 T N -0.987 113.598 114.554 0.052 0.000 2.708 153 T HA -0.245 4.127 4.350 0.036 0.000 0.266 153 T C 1.770 176.487 174.700 0.029 0.000 1.037 153 T CA 1.397 63.518 62.100 0.034 0.000 1.146 153 T CB -0.096 68.784 68.868 0.020 0.000 0.865 153 T HN 0.340 nan 8.240 nan 0.000 0.435 154 E N 0.192 120.411 120.200 0.031 0.000 2.274 154 E HA 0.002 4.374 4.350 0.036 0.000 0.194 154 E C 1.963 178.581 176.600 0.029 0.000 0.996 154 E CA 0.342 56.758 56.400 0.027 0.000 0.840 154 E CB -0.014 29.702 29.700 0.028 0.000 0.772 154 E HN 0.348 nan 8.360 nan 0.000 0.491 155 L N 0.425 121.668 121.223 0.034 0.000 2.307 155 L HA -0.033 4.329 4.340 0.036 0.000 0.211 155 L C 2.304 179.187 176.870 0.022 0.000 1.099 155 L CA 1.745 56.603 54.840 0.029 0.000 0.816 155 L CB -0.175 41.904 42.059 0.033 0.000 0.952 155 L HN 0.298 nan 8.230 nan 0.000 0.455 156 T N -5.991 108.578 114.554 0.025 0.000 3.026 156 T HA 0.271 4.643 4.350 0.036 0.000 0.245 156 T C 1.360 176.073 174.700 0.021 0.000 1.004 156 T CA 0.778 62.891 62.100 0.021 0.000 1.069 156 T CB 1.185 70.070 68.868 0.028 0.000 1.005 156 T HN 0.299 nan 8.240 nan 0.000 0.472 157 G N 0.810 109.623 108.800 0.022 0.000 2.352 157 G HA2 -0.106 3.875 3.960 0.036 0.000 0.204 157 G HA3 -0.106 3.875 3.960 0.036 0.000 0.204 157 G C -0.218 174.695 174.900 0.021 0.000 1.004 157 G CA -0.065 45.047 45.100 0.020 0.000 0.648 157 G HN 0.666 nan 8.290 nan 0.000 0.491 158 E N 0.261 120.475 120.200 0.025 0.000 2.317 158 E HA 0.524 4.896 4.350 0.036 0.000 0.270 158 E C 0.122 176.739 176.600 0.028 0.000 0.885 158 E CA -1.112 55.303 56.400 0.025 0.000 0.760 158 E CB 1.750 31.469 29.700 0.032 0.000 1.227 158 E HN 0.565 nan 8.360 nan 0.000 0.434 159 R N 1.130 121.639 120.500 0.014 0.000 2.679 159 R HA 0.317 4.679 4.340 0.036 0.000 0.269 159 R C -2.249 174.070 176.300 0.033 0.000 1.076 159 R CA -1.266 54.838 56.100 0.007 0.000 1.160 159 R CB -0.358 29.913 30.300 -0.048 0.000 1.054 159 R HN 0.140 nan 8.270 nan 0.000 0.507 160 P HA 0.102 nan 4.420 nan 0.000 0.282 160 P C -0.267 177.130 177.300 0.161 0.000 1.274 160 P CA -0.220 62.978 63.100 0.163 0.000 0.770 160 P CB 0.742 32.613 31.700 0.286 0.000 0.867 161 L N 1.937 123.266 121.223 0.177 0.000 2.653 161 L HA 0.409 4.771 4.340 0.036 0.000 0.231 161 L C 1.153 178.159 176.870 0.227 0.000 1.153 161 L CA -0.020 54.945 54.840 0.208 0.000 0.933 161 L CB -0.088 42.060 42.059 0.148 0.000 1.175 161 L HN 0.433 nan 8.230 nan 0.000 0.473 162 G N -1.196 107.681 108.800 0.128 0.000 2.612 162 G HA2 0.445 4.426 3.960 0.036 0.000 0.298 162 G HA3 0.445 4.426 3.960 0.036 0.000 0.298 162 G C -2.417 172.273 174.900 -0.350 0.000 1.336 162 G CA -0.284 44.406 45.100 -0.684 0.000 0.953 162 G HN -0.011 nan 8.290 nan 0.000 0.482 163 W N 1.564 122.378 121.300 -0.811 0.000 3.033 163 W HA 0.676 5.358 4.660 0.037 0.000 0.336 163 W C -2.564 173.691 176.519 -0.439 0.000 1.173 163 W CA -1.218 55.734 57.345 -0.656 0.000 1.185 163 W CB 2.393 31.256 29.460 -0.996 0.000 1.425 163 W HN 0.524 nan 8.180 nan 0.000 0.536 164 Y N 2.931 122.672 120.300 -0.931 0.000 2.287 164 Y HA 0.190 4.762 4.550 0.036 0.000 0.321 164 Y C 0.190 175.704 175.900 -0.642 0.000 1.173 164 Y CA -0.139 57.507 58.100 -0.757 0.000 1.124 164 Y CB 1.462 39.083 38.460 -1.398 0.000 1.201 164 Y HN 0.312 nan 8.280 nan 0.000 0.421 165 T N 3.309 117.478 114.554 -0.641 0.000 2.894 165 T HA 0.277 4.649 4.350 0.036 0.000 0.258 165 T C 1.434 175.878 174.700 -0.427 0.000 1.043 165 T CA 1.458 63.326 62.100 -0.386 0.000 1.141 165 T CB -0.416 68.383 68.868 -0.115 0.000 0.873 165 T HN 1.216 nan 8.240 nan 0.000 0.449 166 G N 1.463 109.714 108.800 -0.915 0.000 4.933 166 G HA2 -0.304 3.678 3.960 0.036 0.000 0.285 166 G HA3 -0.304 3.678 3.960 0.036 0.000 0.285 166 G C 0.502 175.437 174.900 0.059 0.000 1.596 166 G CA 0.033 44.930 45.100 -0.339 0.000 1.081 166 G HN 0.442 nan 8.290 nan 0.000 0.710 167 R N 3.327 123.889 120.500 0.103 0.000 4.576 167 R HA 0.422 4.784 4.340 0.036 0.000 0.185 167 R C 0.960 177.307 176.300 0.078 0.000 1.837 167 R CA 0.753 56.898 56.100 0.076 0.000 1.520 167 R CB -0.723 29.577 30.300 0.001 0.000 1.403 167 R HN 0.735 nan 8.270 nan 0.000 0.831 168 T N -2.101 112.482 114.554 0.047 0.000 2.926 168 T HA 0.357 4.729 4.350 0.036 0.000 0.307 168 T C 0.791 175.500 174.700 0.015 0.000 1.059 168 T CA -0.597 61.519 62.100 0.027 0.000 1.122 168 T CB 1.734 70.604 68.868 0.004 0.000 0.972 168 T HN 0.330 nan 8.240 nan 0.000 0.545 169 G N 1.941 110.756 108.800 0.024 0.000 2.461 169 G HA2 0.549 4.531 3.960 0.036 0.000 0.329 169 G HA3 0.549 4.531 3.960 0.036 0.000 0.329 169 G C -1.481 173.403 174.900 -0.026 0.000 1.170 169 G CA -2.032 43.058 45.100 -0.017 0.000 0.935 169 G HN 0.501 nan 8.290 nan 0.000 0.492 170 P HA -0.196 nan 4.420 nan 0.000 0.216 170 P C 1.196 178.470 177.300 -0.043 0.000 1.157 170 P CA 1.172 64.250 63.100 -0.036 0.000 0.880 170 P CB 0.216 31.897 31.700 -0.032 0.000 0.791 171 N N -0.871 117.806 118.700 -0.038 0.000 2.289 171 N HA -0.088 4.673 4.740 0.036 0.000 0.184 171 N C 1.724 177.181 175.510 -0.089 0.000 1.016 171 N CA 1.334 54.353 53.050 -0.052 0.000 0.872 171 N CB -1.258 37.208 38.487 -0.034 0.000 0.973 171 N HN 0.238 nan 8.380 nan 0.000 0.433 172 T N 1.420 115.919 114.554 -0.092 0.000 2.570 172 T HA -0.166 4.206 4.350 0.036 0.000 0.266 172 T C 1.926 176.504 174.700 -0.203 0.000 1.071 172 T CA 1.269 63.277 62.100 -0.153 0.000 1.172 172 T CB -0.215 68.585 68.868 -0.112 0.000 0.864 172 T HN 0.318 nan 8.240 nan 0.000 0.421 173 R N 0.390 120.804 120.500 -0.144 0.000 2.148 173 R HA 0.066 4.428 4.340 0.036 0.000 0.227 173 R C 2.715 178.899 176.300 -0.193 0.000 1.103 173 R CA 0.733 56.740 56.100 -0.156 0.000 0.983 173 R CB -0.202 30.052 30.300 -0.077 0.000 0.874 173 R HN 0.335 nan 8.270 nan 0.000 0.451 174 R N 1.142 121.549 120.500 -0.155 0.000 2.070 174 R HA -0.101 4.260 4.340 0.036 0.000 0.232 174 R C 2.255 178.446 176.300 -0.181 0.000 1.138 174 R CA 1.378 57.388 56.100 -0.149 0.000 0.936 174 R CB -0.304 29.935 30.300 -0.101 0.000 0.839 174 R HN 0.134 nan 8.270 nan 0.000 0.429 175 L N 0.355 121.467 121.223 -0.185 0.000 2.043 175 L HA -0.217 4.145 4.340 0.036 0.000 0.212 175 L C 2.499 179.219 176.870 -0.249 0.000 1.075 175 L CA 1.153 55.876 54.840 -0.195 0.000 0.752 175 L CB -0.674 41.263 42.059 -0.205 0.000 0.891 175 L HN 0.121 nan 8.230 nan 0.000 0.432 176 V N 0.062 119.754 119.914 -0.369 0.000 2.250 176 V HA -0.382 3.760 4.120 0.036 0.000 0.250 176 V C 2.503 178.485 176.094 -0.187 0.000 1.060 176 V CA 2.491 64.549 62.300 -0.403 0.000 1.030 176 V CB -0.484 31.009 31.823 -0.551 0.000 0.643 176 V HN 0.426 nan 8.190 nan 0.000 0.445 177 M N -1.051 118.354 119.600 -0.325 0.000 2.175 177 M HA -0.147 4.355 4.480 0.036 0.000 0.264 177 M C 2.146 178.359 176.300 -0.145 0.000 1.063 177 M CA 1.653 56.737 55.300 -0.360 0.000 1.119 177 M CB -0.438 31.873 32.600 -0.480 0.000 1.377 177 M HN 0.336 nan 8.290 nan 0.000 0.415 178 E N 0.077 120.202 120.200 -0.126 0.000 2.152 178 E HA -0.179 4.193 4.350 0.036 0.000 0.192 178 E C 1.923 178.492 176.600 -0.052 0.000 0.983 178 E CA 0.517 56.871 56.400 -0.076 0.000 0.818 178 E CB -0.043 29.611 29.700 -0.077 0.000 0.758 178 E HN 0.394 nan 8.360 nan 0.000 0.467 179 E N -0.001 120.169 120.200 -0.051 0.000 2.045 179 E HA -0.285 4.086 4.350 0.036 0.000 0.212 179 E C 1.426 178.006 176.600 -0.033 0.000 1.039 179 E CA 2.229 58.609 56.400 -0.033 0.000 0.860 179 E CB -0.095 29.625 29.700 0.034 0.000 0.776 179 E HN 0.332 nan 8.360 nan 0.000 0.467 180 G N -1.305 107.495 108.800 -0.000 0.000 3.736 180 G HA2 -0.193 3.789 3.960 0.036 0.000 0.196 180 G HA3 -0.193 3.789 3.960 0.036 0.000 0.196 180 G C 1.018 175.911 174.900 -0.010 0.000 1.811 180 G CA 0.446 45.542 45.100 -0.007 0.000 1.175 180 G HN 0.595 nan 8.290 nan 0.000 0.429 181 G N 0.407 109.120 108.800 -0.145 0.000 3.233 181 G HA2 0.459 4.441 3.960 0.036 0.000 0.227 181 G HA3 0.459 4.441 3.960 0.036 0.000 0.227 181 G C 0.064 174.853 174.900 -0.185 0.000 1.175 181 G CA -0.177 44.822 45.100 -0.168 0.000 0.781 181 G HN 0.260 nan 8.290 nan 0.000 0.542 182 F N 0.080 120.066 119.950 0.060 0.000 2.396 182 F HA 0.423 4.972 4.527 0.036 0.000 0.343 182 F C 1.284 177.146 175.800 0.103 0.000 1.104 182 F CA -0.825 57.207 58.000 0.054 0.000 1.161 182 F CB 1.756 40.791 39.000 0.058 0.000 1.146 182 F HN -0.164 nan 8.300 nan 0.000 0.522 183 L N 2.487 123.881 121.223 0.286 0.000 2.202 183 L HA 0.005 4.366 4.340 0.036 0.000 0.205 183 L C -0.320 176.700 176.870 0.250 0.000 1.083 183 L CA 0.404 55.429 54.840 0.308 0.000 0.790 183 L CB -0.154 42.103 42.059 0.329 0.000 0.942 183 L HN 0.681 nan 8.230 nan 0.000 0.452 184 Y N -1.899 118.421 120.300 0.033 0.000 2.705 184 Y HA 0.633 5.205 4.550 0.036 0.000 0.332 184 Y C -1.197 174.598 175.900 -0.176 0.000 1.157 184 Y CA -1.865 56.094 58.100 -0.236 0.000 1.091 184 Y CB 0.635 38.995 38.460 -0.168 0.000 1.301 184 Y HN -0.049 nan 8.280 nan 0.000 0.488 185 D N -1.086 119.267 120.400 -0.079 0.000 2.592 185 D HA 0.375 5.037 4.640 0.036 0.000 0.263 185 D C -1.013 175.393 176.300 0.177 0.000 1.132 185 D CA -0.720 53.283 54.000 0.006 0.000 0.996 185 D CB 2.020 42.861 40.800 0.068 0.000 1.442 185 D HN 0.749 nan 8.370 nan 0.000 0.486 186 C N -0.176 119.221 119.300 0.161 0.000 3.240 186 C HA 0.257 4.738 4.460 0.036 0.000 0.271 186 C C 0.309 175.427 174.990 0.215 0.000 1.534 186 C CA -0.555 58.568 59.018 0.176 0.000 1.796 186 C CB -0.854 27.002 27.740 0.192 0.000 2.892 186 C HN 0.475 nan 8.230 nan 0.000 0.566 187 D N 3.181 123.652 120.400 0.118 0.000 2.870 187 D HA 0.062 4.723 4.640 0.036 0.000 0.241 187 D C 0.489 176.722 176.300 -0.112 0.000 1.234 187 D CA 0.741 54.750 54.000 0.015 0.000 0.844 187 D CB 0.411 41.200 40.800 -0.019 0.000 1.051 187 D HN 0.614 nan 8.370 nan 0.000 0.469 188 T N -2.123 112.294 114.554 -0.227 0.000 2.903 188 T HA 0.448 4.819 4.350 0.036 0.000 0.299 188 T C -0.304 174.111 174.700 -0.475 0.000 1.093 188 T CA -0.830 61.137 62.100 -0.221 0.000 1.002 188 T CB 1.127 70.018 68.868 0.038 0.000 1.127 188 T HN 0.004 nan 8.240 nan 0.000 0.488 189 Y N 0.353 120.759 120.300 0.176 0.000 2.666 189 Y HA 0.296 4.868 4.550 0.036 0.000 0.264 189 Y C 0.561 176.518 175.900 0.094 0.000 1.054 189 Y CA -1.118 57.061 58.100 0.132 0.000 1.121 189 Y CB 0.096 38.622 38.460 0.110 0.000 1.190 189 Y HN 0.760 nan 8.280 nan 0.000 0.587 190 D N -2.233 118.279 120.400 0.187 0.000 2.431 190 D HA 0.146 4.808 4.640 0.036 0.000 0.213 190 D C 0.036 176.378 176.300 0.070 0.000 1.130 190 D CA 0.333 54.407 54.000 0.122 0.000 0.834 190 D CB 0.834 41.690 40.800 0.092 0.000 0.985 190 D HN 0.162 nan 8.370 nan 0.000 0.504 191 D N -0.601 119.859 120.400 0.100 0.000 2.639 191 D HA 0.114 4.776 4.640 0.036 0.000 0.271 191 D C -0.760 175.590 176.300 0.082 0.000 1.254 191 D CA -0.333 53.713 54.000 0.077 0.000 0.810 191 D CB 1.847 42.696 40.800 0.082 0.000 1.351 191 D HN -0.236 nan 8.370 nan 0.000 0.427 192 D N 0.623 121.067 120.400 0.074 0.000 2.342 192 D HA 0.241 4.903 4.640 0.036 0.000 0.221 192 D C 0.141 176.482 176.300 0.069 0.000 1.101 192 D CA 0.308 54.340 54.000 0.053 0.000 0.837 192 D CB 1.328 42.148 40.800 0.033 0.000 0.938 192 D HN 0.175 nan 8.370 nan 0.000 0.508 193 L N 0.076 121.353 121.223 0.090 0.000 2.582 193 L HA 0.316 4.677 4.340 0.036 0.000 0.257 193 L C -2.690 174.183 176.870 0.004 0.000 0.974 193 L CA -2.085 52.783 54.840 0.047 0.000 0.851 193 L CB 2.970 45.062 42.059 0.055 0.000 1.424 193 L HN -0.345 nan 8.230 nan 0.000 0.412 194 P HA 0.198 nan 4.420 nan 0.000 0.269 194 P C -1.819 175.231 177.300 -0.417 0.000 1.209 194 P CA 0.147 62.893 63.100 -0.591 0.000 0.776 194 P CB 0.251 31.258 31.700 -1.156 0.000 0.876 195 Y N -1.675 118.377 120.300 -0.412 0.000 2.581 195 Y HA 0.612 5.184 4.550 0.036 0.000 0.337 195 Y C -1.525 174.243 175.900 -0.220 0.000 1.108 195 Y CA -1.685 56.323 58.100 -0.154 0.000 1.033 195 Y CB 0.486 38.868 38.460 -0.130 0.000 1.318 195 Y HN 0.271 nan 8.280 nan 0.000 0.459 196 W N 2.335 123.749 121.300 0.190 0.000 2.253 196 W HA 0.336 5.018 4.660 0.037 0.000 0.322 196 W C 0.317 176.848 176.519 0.021 0.000 1.342 196 W CA -0.037 57.312 57.345 0.005 0.000 1.218 196 W CB 0.704 30.172 29.460 0.014 0.000 1.205 196 W HN 0.665 nan 8.180 nan 0.000 0.551 197 E N 5.905 126.186 120.200 0.135 0.000 2.585 197 E HA -0.085 4.286 4.350 0.036 0.000 0.252 197 E C -1.291 175.432 176.600 0.206 0.000 0.981 197 E CA -0.633 55.871 56.400 0.173 0.000 0.943 197 E CB 0.775 30.599 29.700 0.206 0.000 0.923 197 E HN 0.135 nan 8.360 nan 0.000 0.486 198 P HA -0.072 nan 4.420 nan 0.000 0.222 198 P C -0.394 176.991 177.300 0.142 0.000 1.153 198 P CA 0.921 64.143 63.100 0.204 0.000 0.798 198 P CB 0.283 32.085 31.700 0.170 0.000 0.796 199 N N 0.360 119.124 118.700 0.106 0.000 2.761 199 N HA 0.091 4.853 4.740 0.036 0.000 0.317 199 N C -0.243 175.288 175.510 0.036 0.000 1.546 199 N CA -0.351 52.738 53.050 0.065 0.000 1.015 199 N CB -0.291 38.220 38.487 0.040 0.000 1.343 199 N HN -0.088 nan 8.380 nan 0.000 0.504 200 N N 1.298 120.025 118.700 0.046 0.000 2.415 200 N HA 0.185 4.946 4.740 0.036 0.000 0.246 200 N C -1.665 173.857 175.510 0.019 0.000 1.078 200 N CA -2.076 50.978 53.050 0.006 0.000 0.942 200 N CB 1.167 39.658 38.487 0.007 0.000 1.140 200 N HN 0.110 nan 8.380 nan 0.000 0.501 201 P HA -0.110 nan 4.420 nan 0.000 0.215 201 P C 1.183 178.491 177.300 0.013 0.000 1.157 201 P CA 1.201 64.303 63.100 0.004 0.000 0.868 201 P CB 0.141 31.832 31.700 -0.015 0.000 0.788 202 T N -2.097 112.458 114.554 0.001 0.000 2.896 202 T HA -0.103 4.269 4.350 0.036 0.000 0.270 202 T C 1.604 176.332 174.700 0.045 0.000 1.104 202 T CA 1.749 63.858 62.100 0.014 0.000 1.115 202 T CB -1.147 67.723 68.868 0.003 0.000 0.843 202 T HN 0.370 nan 8.240 nan 0.000 0.523 203 G N 0.691 109.531 108.800 0.066 0.000 2.855 203 G HA2 -0.363 3.619 3.960 0.036 0.000 0.231 203 G HA3 -0.363 3.619 3.960 0.036 0.000 0.231 203 G C 0.382 175.376 174.900 0.157 0.000 1.242 203 G CA 0.760 45.927 45.100 0.112 0.000 0.789 203 G HN 0.656 nan 8.290 nan 0.000 0.517 204 K N 3.513 123.981 120.400 0.114 0.000 2.527 204 K HA 0.360 4.701 4.320 0.036 0.000 0.278 204 K C -1.830 174.825 176.600 0.090 0.000 0.981 204 K CA -0.872 55.492 56.287 0.130 0.000 1.009 204 K CB 0.425 32.994 32.500 0.116 0.000 0.895 204 K HN 0.242 nan 8.250 nan 0.000 0.493 205 P HA -0.114 nan 4.420 nan 0.000 0.261 205 P C -1.087 176.283 177.300 0.116 0.000 1.173 205 P CA 0.720 63.644 63.100 -0.294 0.000 0.760 205 P CB 0.324 31.836 31.700 -0.313 0.000 0.783 206 H N 3.191 122.292 119.070 0.051 0.000 2.658 206 H HA 0.344 4.922 4.556 0.036 0.000 0.337 206 H C -1.111 174.377 175.328 0.265 0.000 1.009 206 H CA -1.003 55.163 56.048 0.196 0.000 1.231 206 H CB 1.363 31.161 29.762 0.060 0.000 1.508 206 H HN 0.209 nan 8.280 nan 0.000 0.517 207 L N 6.301 127.406 121.223 -0.196 0.000 2.292 207 L HA 0.247 4.609 4.340 0.036 0.000 0.284 207 L C -0.948 175.620 176.870 -0.503 0.000 1.065 207 L CA -0.365 54.223 54.840 -0.420 0.000 0.806 207 L CB 1.053 42.881 42.059 -0.385 0.000 1.175 207 L HN 0.337 nan 8.230 nan 0.000 0.431 208 V N 6.834 126.379 119.914 -0.614 0.000 2.370 208 V HA 0.408 4.549 4.120 0.036 0.000 0.279 208 V C 0.219 176.014 176.094 -0.500 0.000 1.029 208 V CA -0.363 61.580 62.300 -0.595 0.000 0.870 208 V CB 1.145 32.327 31.823 -1.069 0.000 0.984 208 V HN 0.565 nan 8.190 nan 0.000 0.451 209 I N 6.298 126.715 120.570 -0.255 0.000 2.555 209 I HA 0.320 4.512 4.170 0.036 0.000 0.275 209 I C -2.538 173.533 176.117 -0.076 0.000 1.082 209 I CA -1.863 59.307 61.300 -0.217 0.000 1.167 209 I CB 1.636 39.457 38.000 -0.297 0.000 1.312 209 I HN 0.393 nan 8.210 nan 0.000 0.493 210 P HA -0.089 nan 4.420 nan 0.000 0.264 210 P C -0.801 176.553 177.300 0.090 0.000 1.183 210 P CA 0.518 63.638 63.100 0.033 0.000 0.763 210 P CB 0.460 32.215 31.700 0.092 0.000 0.807 211 Y N 2.813 123.057 120.300 -0.093 0.000 2.645 211 Y HA 0.648 5.220 4.550 0.037 0.000 0.341 211 Y C 0.224 176.246 175.900 0.204 0.000 1.234 211 Y CA -0.895 57.189 58.100 -0.026 0.000 1.352 211 Y CB 1.019 39.420 38.460 -0.097 0.000 1.556 211 Y HN 0.268 nan 8.280 nan 0.000 0.607 212 T N 1.659 115.988 114.554 -0.375 0.000 2.912 212 T HA 0.458 4.830 4.350 0.036 0.000 0.299 212 T C -0.524 174.037 174.700 -0.232 0.000 1.052 212 T CA -0.605 61.406 62.100 -0.148 0.000 0.996 212 T CB 0.491 69.244 68.868 -0.191 0.000 1.070 212 T HN 0.588 nan 8.240 nan 0.000 0.465 213 L N 3.496 124.653 121.223 -0.110 0.000 2.906 213 L HA 0.348 4.710 4.340 0.036 0.000 0.255 213 L C 1.429 178.248 176.870 -0.084 0.000 1.166 213 L CA -0.124 54.634 54.840 -0.136 0.000 0.977 213 L CB 0.287 42.190 42.059 -0.260 0.000 1.313 213 L HN 0.738 nan 8.230 nan 0.000 0.549 214 D N -1.303 119.082 120.400 -0.025 0.000 2.766 214 D HA -0.067 4.595 4.640 0.036 0.000 0.284 214 D C 1.077 177.467 176.300 0.149 0.000 1.050 214 D CA 0.754 54.774 54.000 0.033 0.000 0.945 214 D CB -0.078 40.808 40.800 0.142 0.000 1.272 214 D HN 0.102 nan 8.370 nan 0.000 0.482 215 T N -0.447 114.219 114.554 0.188 0.000 3.467 215 T HA 0.298 4.670 4.350 0.036 0.000 0.232 215 T C -0.174 174.639 174.700 0.188 0.000 0.876 215 T CA -0.589 61.633 62.100 0.204 0.000 0.939 215 T CB -1.315 67.566 68.868 0.022 0.000 1.165 215 T HN 0.074 nan 8.240 nan 0.000 0.615 216 N N 1.278 120.118 118.700 0.234 0.000 2.314 216 N HA 0.262 5.024 4.740 0.036 0.000 0.294 216 N C 0.748 176.353 175.510 0.159 0.000 1.029 216 N CA -0.686 52.469 53.050 0.175 0.000 0.845 216 N CB 1.497 40.005 38.487 0.034 0.000 1.321 216 N HN 0.243 nan 8.380 nan 0.000 0.481 217 D N 4.097 124.530 120.400 0.054 0.000 2.350 217 D HA -0.227 4.435 4.640 0.036 0.000 0.216 217 D C 1.719 177.978 176.300 -0.067 0.000 0.968 217 D CA 0.871 54.736 54.000 -0.225 0.000 0.894 217 D CB -0.202 40.504 40.800 -0.157 0.000 0.909 217 D HN 0.768 nan 8.370 nan 0.000 0.520 218 M N -0.657 118.863 119.600 -0.133 0.000 2.260 218 M HA -0.087 4.414 4.480 0.036 0.000 0.261 218 M C 1.507 177.701 176.300 -0.178 0.000 1.066 218 M CA 1.141 56.283 55.300 -0.263 0.000 1.082 218 M CB -0.272 32.174 32.600 -0.257 0.000 1.388 218 M HN -0.200 nan 8.290 nan 0.000 0.419 219 R N 0.234 120.594 120.500 -0.233 0.000 2.285 219 R HA -0.007 4.355 4.340 0.036 0.000 0.213 219 R C 1.461 177.503 176.300 -0.430 0.000 1.068 219 R CA 0.949 56.778 56.100 -0.452 0.000 1.004 219 R CB -0.917 28.857 30.300 -0.876 0.000 0.873 219 R HN 0.491 nan 8.270 nan 0.000 0.467 220 F N 0.263 120.093 119.950 -0.199 0.000 2.699 220 F HA -0.086 4.459 4.527 0.031 0.000 0.298 220 F C 1.943 177.674 175.800 -0.115 0.000 1.154 220 F CA 1.362 59.299 58.000 -0.105 0.000 1.457 220 F CB 0.040 38.993 39.000 -0.078 0.000 1.106 220 F HN 0.017 nan 8.300 nan 0.000 0.585 221 T N -3.837 110.732 114.554 0.026 0.000 3.170 221 T HA 0.238 4.609 4.350 0.036 0.000 0.288 221 T C 0.353 175.056 174.700 0.005 0.000 0.992 221 T CA -0.356 61.752 62.100 0.014 0.000 0.909 221 T CB 0.030 68.898 68.868 0.001 0.000 1.133 221 T HN 0.009 nan 8.240 nan 0.000 0.530 222 Q N 0.582 120.355 119.800 -0.046 0.000 2.252 222 Q HA 0.473 4.834 4.340 0.036 0.000 0.256 222 Q C 1.683 177.644 176.000 -0.065 0.000 1.020 222 Q CA -0.375 55.409 55.803 -0.032 0.000 0.913 222 Q CB 2.248 30.955 28.738 -0.051 0.000 1.286 222 Q HN 0.137 nan 8.270 nan 0.000 0.480 223 V N -1.374 118.509 119.914 -0.052 0.000 2.295 223 V HA -0.223 3.919 4.120 0.036 0.000 0.246 223 V C 0.830 176.865 176.094 -0.098 0.000 1.049 223 V CA 1.626 63.891 62.300 -0.058 0.000 1.024 223 V CB -0.831 30.966 31.823 -0.044 0.000 0.648 223 V HN 0.815 nan 8.190 nan 0.000 0.447 224 Q N 1.701 121.422 119.800 -0.131 0.000 2.296 224 Q HA 0.615 4.977 4.340 0.036 0.000 0.257 224 Q C -0.345 175.457 176.000 -0.329 0.000 0.942 224 Q CA 0.615 56.304 55.803 -0.190 0.000 0.939 224 Q CB 0.851 29.489 28.738 -0.167 0.000 1.198 224 Q HN 0.813 nan 8.270 nan 0.000 0.429 225 G N 2.487 111.044 108.800 -0.404 0.000 2.386 225 G HA2 0.304 4.286 3.960 0.036 0.000 0.302 225 G HA3 0.304 4.286 3.960 0.036 0.000 0.302 225 G C -1.302 173.282 174.900 -0.527 0.000 1.629 225 G CA -1.066 43.587 45.100 -0.746 0.000 0.917 225 G HN 0.459 nan 8.290 nan 0.000 0.676 226 F N 0.741 120.503 119.950 -0.313 0.000 2.413 226 F HA -0.078 4.470 4.527 0.035 0.000 0.416 226 F C 1.532 177.319 175.800 -0.022 0.000 0.949 226 F CA 0.837 58.678 58.000 -0.265 0.000 1.162 226 F CB -0.135 38.425 39.000 -0.732 0.000 0.897 226 F HN 0.604 nan 8.300 nan 0.000 0.540 227 N N 1.730 120.558 118.700 0.214 0.000 2.278 227 N HA 0.012 4.774 4.740 0.036 0.000 0.181 227 N C -0.081 175.584 175.510 0.259 0.000 1.023 227 N CA 0.566 53.732 53.050 0.192 0.000 0.862 227 N CB -0.066 38.489 38.487 0.113 0.000 1.003 227 N HN 0.676 nan 8.380 nan 0.000 0.431 228 K N -0.711 119.850 120.400 0.268 0.000 2.258 228 K HA 0.604 4.945 4.320 0.036 0.000 0.236 228 K C 0.995 177.823 176.600 0.379 0.000 1.008 228 K CA -0.746 55.692 56.287 0.252 0.000 0.869 228 K CB 1.319 33.911 32.500 0.153 0.000 1.171 228 K HN -0.067 nan 8.250 nan 0.000 0.447 229 G N 0.798 109.773 108.800 0.292 0.000 2.491 229 G HA2 -0.375 3.606 3.960 0.036 0.000 0.218 229 G HA3 -0.375 3.606 3.960 0.036 0.000 0.218 229 G C 1.077 176.167 174.900 0.316 0.000 1.180 229 G CA 1.576 46.885 45.100 0.348 0.000 0.774 229 G HN 0.971 nan 8.290 nan 0.000 0.562 230 D N 0.756 121.282 120.400 0.209 0.000 2.239 230 D HA -0.126 4.536 4.640 0.036 0.000 0.202 230 D C 1.685 178.096 176.300 0.184 0.000 0.993 230 D CA 1.459 55.592 54.000 0.222 0.000 0.874 230 D CB -0.219 40.678 40.800 0.161 0.000 0.922 230 D HN 0.268 nan 8.370 nan 0.000 0.464 231 D N -0.879 119.599 120.400 0.130 0.000 2.149 231 D HA -0.128 4.534 4.640 0.036 0.000 0.201 231 D C 1.624 177.707 176.300 -0.362 0.000 0.972 231 D CA 0.479 54.508 54.000 0.049 0.000 0.835 231 D CB -0.527 40.420 40.800 0.245 0.000 0.966 231 D HN 0.284 nan 8.370 nan 0.000 0.476 232 F N 0.842 120.271 119.950 -0.868 0.000 2.113 232 F HA -0.107 4.440 4.527 0.032 0.000 0.297 232 F C 2.046 177.571 175.800 -0.458 0.000 1.103 232 F CA 0.675 57.917 58.000 -1.263 0.000 1.248 232 F CB -0.695 37.834 39.000 -0.784 0.000 0.999 232 F HN -0.084 nan 8.300 nan 0.000 0.475 233 F N 1.297 121.065 119.950 -0.304 0.000 2.102 233 F HA -0.141 4.395 4.527 0.015 0.000 0.298 233 F C 2.266 177.912 175.800 -0.257 0.000 1.105 233 F CA 1.864 59.699 58.000 -0.275 0.000 1.239 233 F CB -0.615 38.335 39.000 -0.083 0.000 0.991 233 F HN -0.113 nan 8.300 nan 0.000 0.474 234 E N -0.247 119.742 120.200 -0.351 0.000 2.077 234 E HA -0.253 4.119 4.350 0.036 0.000 0.193 234 E C 2.090 178.471 176.600 -0.364 0.000 0.989 234 E CA 1.417 57.568 56.400 -0.414 0.000 0.800 234 E CB -1.071 28.568 29.700 -0.102 0.000 0.746 234 E HN 0.621 nan 8.360 nan 0.000 0.452 235 Y N 1.065 121.132 120.300 -0.388 0.000 2.128 235 Y HA -0.184 4.384 4.550 0.030 0.000 0.284 235 Y C 2.261 177.893 175.900 -0.447 0.000 1.154 235 Y CA 1.484 59.388 58.100 -0.326 0.000 1.149 235 Y CB -0.217 38.090 38.460 -0.256 0.000 0.976 235 Y HN -0.031 nan 8.280 nan 0.000 0.505 236 L N -0.073 120.804 121.223 -0.577 0.000 2.093 236 L HA -0.203 4.159 4.340 0.036 0.000 0.208 236 L C 2.501 179.021 176.870 -0.584 0.000 1.085 236 L CA 1.700 56.031 54.840 -0.849 0.000 0.755 236 L CB -0.541 40.575 42.059 -1.572 0.000 0.904 236 L HN 0.127 nan 8.230 nan 0.000 0.435 237 K N 0.275 120.333 120.400 -0.570 0.000 2.026 237 K HA -0.199 4.142 4.320 0.036 0.000 0.208 237 K C 1.654 178.126 176.600 -0.214 0.000 1.048 237 K CA 1.745 57.753 56.287 -0.465 0.000 0.929 237 K CB 0.009 31.905 32.500 -1.006 0.000 0.713 237 K HN 0.152 nan 8.250 nan 0.000 0.439 238 D N 0.622 120.839 120.400 -0.305 0.000 2.087 238 D HA -0.174 4.487 4.640 0.036 0.000 0.192 238 D C 1.806 177.993 176.300 -0.188 0.000 0.993 238 D CA 1.826 55.688 54.000 -0.230 0.000 0.828 238 D CB -0.475 40.148 40.800 -0.295 0.000 0.968 238 D HN 0.391 nan 8.370 nan 0.000 0.448 239 A N -0.483 122.163 122.820 -0.290 0.000 2.125 239 A HA -0.139 4.203 4.320 0.036 0.000 0.219 239 A C 1.997 179.532 177.584 -0.082 0.000 1.156 239 A CA 0.839 52.736 52.037 -0.233 0.000 0.671 239 A CB -0.772 18.033 19.000 -0.326 0.000 0.794 239 A HN 0.280 nan 8.150 nan 0.000 0.459 240 F N 0.601 120.478 119.950 -0.121 0.000 2.147 240 F HA -0.038 4.510 4.527 0.035 0.000 0.291 240 F C 1.801 177.613 175.800 0.020 0.000 1.093 240 F CA 1.626 59.633 58.000 0.011 0.000 1.263 240 F CB -0.060 39.060 39.000 0.200 0.000 1.036 240 F HN 0.182 nan 8.300 nan 0.000 0.481 241 D N 0.279 120.794 120.400 0.191 0.000 2.116 241 D HA -0.192 4.470 4.640 0.036 0.000 0.193 241 D C 2.435 178.743 176.300 0.013 0.000 0.998 241 D CA 1.757 55.838 54.000 0.135 0.000 0.836 241 D CB -0.632 40.251 40.800 0.138 0.000 0.951 241 D HN 0.218 nan 8.370 nan 0.000 0.449 242 V N 0.517 120.410 119.914 -0.035 0.000 2.515 242 V HA -0.152 3.990 4.120 0.036 0.000 0.250 242 V C 2.459 178.504 176.094 -0.082 0.000 1.058 242 V CA 0.965 63.233 62.300 -0.053 0.000 1.064 242 V CB -0.241 31.540 31.823 -0.071 0.000 0.675 242 V HN 0.202 nan 8.190 nan 0.000 0.461 243 L N -1.897 119.247 121.223 -0.131 0.000 2.068 243 L HA -0.098 4.263 4.340 0.036 0.000 0.204 243 L C 2.444 179.208 176.870 -0.176 0.000 1.076 243 L CA 1.515 56.265 54.840 -0.151 0.000 0.753 243 L CB -0.673 41.285 42.059 -0.169 0.000 0.910 243 L HN 0.298 nan 8.230 nan 0.000 0.439 244 Y N 1.166 121.205 120.300 -0.435 0.000 2.081 244 Y HA -0.380 4.193 4.550 0.038 0.000 0.280 244 Y C 2.582 178.371 175.900 -0.185 0.000 1.163 244 Y CA 1.678 59.538 58.100 -0.400 0.000 1.135 244 Y CB -0.398 37.712 38.460 -0.584 0.000 0.970 244 Y HN 0.141 nan 8.280 nan 0.000 0.498 245 A N -0.065 122.754 122.820 -0.001 0.000 1.908 245 A HA -0.255 4.087 4.320 0.036 0.000 0.218 245 A C 2.102 179.633 177.584 -0.088 0.000 1.181 245 A CA 2.114 54.140 52.037 -0.019 0.000 0.627 245 A CB -0.752 18.262 19.000 0.023 0.000 0.818 245 A HN 0.663 nan 8.150 nan 0.000 0.445 246 E N -0.970 119.171 120.200 -0.098 0.000 2.072 246 E HA -0.089 4.283 4.350 0.036 0.000 0.191 246 E C 2.013 178.528 176.600 -0.142 0.000 0.985 246 E CA 0.626 56.965 56.400 -0.102 0.000 0.801 246 E CB -0.375 29.271 29.700 -0.090 0.000 0.750 246 E HN 0.616 nan 8.360 nan 0.000 0.452 247 G N 0.921 109.608 108.800 -0.189 0.000 2.653 247 G HA2 -0.169 3.812 3.960 0.036 0.000 0.212 247 G HA3 -0.169 3.812 3.960 0.036 0.000 0.212 247 G C 1.490 176.255 174.900 -0.225 0.000 1.138 247 G CA 0.625 45.592 45.100 -0.222 0.000 0.782 247 G HN 0.286 nan 8.290 nan 0.000 0.535 248 A N 0.958 123.655 122.820 -0.205 0.000 2.019 248 A HA 0.015 4.357 4.320 0.036 0.000 0.219 248 A C 2.095 179.630 177.584 -0.082 0.000 1.164 248 A CA 1.963 53.910 52.037 -0.150 0.000 0.644 248 A CB -0.158 18.776 19.000 -0.111 0.000 0.805 248 A HN 0.633 nan 8.150 nan 0.000 0.449 249 E N -2.538 117.612 120.200 -0.083 0.000 2.467 249 E HA 0.500 4.872 4.350 0.036 0.000 0.213 249 E C 0.343 176.896 176.600 -0.079 0.000 0.823 249 E CA 0.441 56.820 56.400 -0.035 0.000 1.233 249 E CB 0.356 30.043 29.700 -0.022 0.000 1.233 249 E HN 0.363 nan 8.360 nan 0.000 0.585 250 A N 2.093 124.803 122.820 -0.182 0.000 2.815 250 A HA 0.490 4.832 4.320 0.036 0.000 0.318 250 A C -2.835 174.548 177.584 -0.334 0.000 1.186 250 A CA -1.548 50.294 52.037 -0.325 0.000 0.754 250 A CB 0.616 19.500 19.000 -0.194 0.000 1.151 250 A HN 0.004 nan 8.150 nan 0.000 0.452 251 P HA 0.278 nan 4.420 nan 0.000 0.269 251 P C -0.235 177.017 177.300 -0.081 0.000 1.215 251 P CA 0.261 63.238 63.100 -0.205 0.000 0.780 251 P CB 0.764 32.378 31.700 -0.144 0.000 0.898 252 K N 0.923 121.428 120.400 0.175 0.000 2.318 252 K HA 0.619 4.960 4.320 0.036 0.000 0.265 252 K C -0.148 176.658 176.600 0.344 0.000 1.055 252 K CA -0.896 55.542 56.287 0.252 0.000 0.896 252 K CB 1.498 34.036 32.500 0.062 0.000 1.479 252 K HN 0.475 nan 8.250 nan 0.000 0.449 253 M N -0.215 119.495 119.600 0.183 0.000 2.872 253 M HA 0.740 5.242 4.480 0.036 0.000 0.290 253 M C -1.306 174.946 176.300 -0.079 0.000 1.180 253 M CA -0.986 54.290 55.300 -0.040 0.000 0.839 253 M CB 1.446 33.965 32.600 -0.135 0.000 1.667 253 M HN 0.433 nan 8.290 nan 0.000 0.512 254 L N 0.456 121.592 121.223 -0.145 0.000 2.614 254 L HA 0.487 4.849 4.340 0.036 0.000 0.264 254 L C -1.334 175.419 176.870 -0.195 0.000 0.940 254 L CA 0.154 54.912 54.840 -0.136 0.000 0.903 254 L CB 2.437 44.427 42.059 -0.115 0.000 1.306 254 L HN 0.885 nan 8.230 nan 0.000 0.410 255 S N 4.525 120.131 115.700 -0.157 0.000 2.565 255 S HA 0.739 5.230 4.470 0.036 0.000 0.276 255 S C -0.450 174.026 174.600 -0.207 0.000 1.326 255 S CA -0.021 58.090 58.200 -0.149 0.000 1.045 255 S CB 0.450 63.644 63.200 -0.011 0.000 0.918 255 S HN 0.412 nan 8.310 nan 0.000 0.505 256 I N 2.144 122.575 120.570 -0.231 0.000 2.468 256 I HA 0.368 4.560 4.170 0.036 0.000 0.284 256 I C 0.480 176.605 176.117 0.014 0.000 1.038 256 I CA -0.242 60.953 61.300 -0.176 0.000 1.083 256 I CB 1.556 39.300 38.000 -0.426 0.000 1.223 256 I HN 0.636 nan 8.210 nan 0.000 0.443 257 G N 6.961 115.809 108.800 0.080 0.000 2.333 257 G HA2 0.697 4.678 3.960 0.036 0.000 0.290 257 G HA3 0.697 4.678 3.960 0.036 0.000 0.290 257 G C -0.659 174.355 174.900 0.191 0.000 1.150 257 G CA -0.286 44.898 45.100 0.141 0.000 0.895 257 G HN 0.453 nan 8.290 nan 0.000 0.444 258 L N 1.941 123.197 121.223 0.056 0.000 2.370 258 L HA 0.569 4.931 4.340 0.036 0.000 0.266 258 L C -0.837 175.955 176.870 -0.131 0.000 1.002 258 L CA -1.205 53.697 54.840 0.103 0.000 0.818 258 L CB 2.532 44.671 42.059 0.133 0.000 1.325 258 L HN 0.486 nan 8.230 nan 0.000 0.418 259 H N -0.777 118.249 119.070 -0.073 0.000 2.589 259 H HA 0.296 4.873 4.556 0.036 0.000 0.351 259 H C 0.136 175.373 175.328 -0.152 0.000 1.074 259 H CA -0.872 55.081 56.048 -0.159 0.000 1.203 259 H CB 1.823 31.445 29.762 -0.233 0.000 1.558 259 H HN 0.620 nan 8.280 nan 0.000 0.522 260 C N 1.534 120.777 119.300 -0.095 0.000 2.385 260 C HA -0.192 4.290 4.460 0.036 0.000 0.275 260 C C 2.542 177.497 174.990 -0.058 0.000 1.207 260 C CA 1.744 60.701 59.018 -0.103 0.000 1.760 260 C CB -0.604 27.030 27.740 -0.176 0.000 2.051 260 C HN 0.872 nan 8.230 nan 0.000 0.467 261 R N 0.737 121.166 120.500 -0.119 0.000 2.280 261 R HA 0.047 4.409 4.340 0.036 0.000 0.207 261 R C 1.451 177.730 176.300 -0.036 0.000 1.043 261 R CA 1.218 57.291 56.100 -0.046 0.000 1.006 261 R CB -0.312 29.845 30.300 -0.237 0.000 0.885 261 R HN 0.470 nan 8.270 nan 0.000 0.467 262 L N -0.446 120.736 121.223 -0.068 0.000 2.546 262 L HA 0.173 4.535 4.340 0.036 0.000 0.182 262 L C 2.114 178.913 176.870 -0.118 0.000 1.167 262 L CA -0.162 54.611 54.840 -0.112 0.000 0.845 262 L CB -0.407 41.575 42.059 -0.128 0.000 1.134 262 L HN -0.033 nan 8.230 nan 0.000 0.500 263 I N 1.201 121.737 120.570 -0.057 0.000 2.614 263 I HA -0.091 4.100 4.170 0.036 0.000 0.258 263 I C 2.131 178.250 176.117 0.004 0.000 1.189 263 I CA 1.047 62.320 61.300 -0.045 0.000 1.462 263 I CB -0.342 37.705 38.000 0.078 0.000 1.092 263 I HN 0.215 nan 8.210 nan 0.000 0.442 264 G N 0.529 109.356 108.800 0.044 0.000 2.509 264 G HA2 -0.126 3.856 3.960 0.036 0.000 0.218 264 G HA3 -0.126 3.856 3.960 0.036 0.000 0.218 264 G C 1.027 176.031 174.900 0.173 0.000 1.124 264 G CA -0.157 44.998 45.100 0.091 0.000 0.776 264 G HN 0.130 nan 8.290 nan 0.000 0.547 265 R N 0.477 121.063 120.500 0.145 0.000 2.489 265 R HA 0.110 4.471 4.340 0.036 0.000 0.287 265 R C -1.449 174.862 176.300 0.018 0.000 1.053 265 R CA -1.515 54.637 56.100 0.086 0.000 1.036 265 R CB 0.970 31.197 30.300 -0.122 0.000 0.966 265 R HN 0.059 nan 8.270 nan 0.000 0.432 266 P HA -0.195 nan 4.420 nan 0.000 0.215 266 P C 1.015 178.299 177.300 -0.026 0.000 1.157 266 P CA 1.767 64.879 63.100 0.019 0.000 0.874 266 P CB 0.100 31.819 31.700 0.031 0.000 0.790 267 A N 0.313 123.100 122.820 -0.055 0.000 1.929 267 A HA -0.316 4.025 4.320 0.036 0.000 0.221 267 A C 2.154 179.671 177.584 -0.112 0.000 1.211 267 A CA 2.561 54.550 52.037 -0.080 0.000 0.657 267 A CB -1.255 17.683 19.000 -0.103 0.000 0.827 267 A HN 0.242 nan 8.150 nan 0.000 0.462 268 R N -1.566 118.818 120.500 -0.194 0.000 2.223 268 R HA 0.264 4.625 4.340 0.036 0.000 0.198 268 R C 1.978 178.236 176.300 -0.070 0.000 0.984 268 R CA 0.613 56.551 56.100 -0.270 0.000 1.018 268 R CB -0.389 29.506 30.300 -0.676 0.000 0.945 268 R HN 0.439 nan 8.270 nan 0.000 0.479 269 L N 1.494 122.697 121.223 -0.033 0.000 2.079 269 L HA -0.112 4.250 4.340 0.036 0.000 0.210 269 L C 2.361 179.247 176.870 0.026 0.000 1.081 269 L CA 1.650 56.505 54.840 0.024 0.000 0.752 269 L CB -0.384 41.691 42.059 0.027 0.000 0.896 269 L HN 0.188 nan 8.230 nan 0.000 0.433 270 A N -0.414 122.407 122.820 0.003 0.000 1.917 270 A HA -0.241 4.101 4.320 0.036 0.000 0.219 270 A C 2.459 180.036 177.584 -0.013 0.000 1.182 270 A CA 2.117 54.144 52.037 -0.016 0.000 0.633 270 A CB -1.205 17.778 19.000 -0.029 0.000 0.819 270 A HN 0.583 nan 8.150 nan 0.000 0.448 271 A N -0.597 122.258 122.820 0.058 0.000 1.858 271 A HA -0.035 4.307 4.320 0.036 0.000 0.216 271 A C 2.136 179.830 177.584 0.184 0.000 1.190 271 A CA 1.730 53.842 52.037 0.126 0.000 0.617 271 A CB -0.786 18.402 19.000 0.313 0.000 0.827 271 A HN 0.791 nan 8.150 nan 0.000 0.443 272 L N 0.041 121.416 121.223 0.253 0.000 2.051 272 L HA -0.282 4.080 4.340 0.036 0.000 0.214 272 L C 2.607 179.511 176.870 0.055 0.000 1.076 272 L CA 2.872 57.863 54.840 0.253 0.000 0.758 272 L CB -0.651 41.564 42.059 0.259 0.000 0.890 272 L HN 0.670 nan 8.230 nan 0.000 0.433 273 Q N -0.973 118.790 119.800 -0.062 0.000 2.083 273 Q HA -0.232 4.130 4.340 0.036 0.000 0.198 273 Q C 2.382 178.265 176.000 -0.195 0.000 0.969 273 Q CA 1.403 57.072 55.803 -0.223 0.000 0.838 273 Q CB -0.172 28.481 28.738 -0.142 0.000 0.900 273 Q HN 0.439 nan 8.270 nan 0.000 0.436 274 R N -0.490 119.942 120.500 -0.115 0.000 2.133 274 R HA -0.216 4.146 4.340 0.036 0.000 0.245 274 R C 2.108 178.467 176.300 0.100 0.000 1.137 274 R CA 2.203 58.203 56.100 -0.165 0.000 0.947 274 R CB -0.552 29.424 30.300 -0.541 0.000 0.865 274 R HN 0.377 nan 8.270 nan 0.000 0.437 275 F N 0.868 120.922 119.950 0.174 0.000 2.113 275 F HA -0.127 4.418 4.527 0.030 0.000 0.297 275 F C 1.950 177.788 175.800 0.063 0.000 1.103 275 F CA 1.336 59.468 58.000 0.220 0.000 1.248 275 F CB -0.353 38.708 39.000 0.101 0.000 0.999 275 F HN -0.031 nan 8.300 nan 0.000 0.475 276 I N 0.449 120.894 120.570 -0.208 0.000 2.113 276 I HA -0.395 3.796 4.170 0.036 0.000 0.242 276 I C 2.318 178.118 176.117 -0.529 0.000 1.064 276 I CA 2.122 63.131 61.300 -0.485 0.000 1.320 276 I CB -0.533 36.952 38.000 -0.858 0.000 1.028 276 I HN 0.248 nan 8.210 nan 0.000 0.406 277 E N -0.334 119.591 120.200 -0.458 0.000 2.031 277 E HA -0.283 4.089 4.350 0.036 0.000 0.193 277 E C 2.011 178.517 176.600 -0.157 0.000 0.994 277 E CA 1.697 57.949 56.400 -0.248 0.000 0.800 277 E CB -0.345 29.286 29.700 -0.116 0.000 0.752 277 E HN 0.443 nan 8.360 nan 0.000 0.447 278 Y N 1.298 121.455 120.300 -0.238 0.000 1.993 278 Y HA -0.379 4.197 4.550 0.043 0.000 0.267 278 Y C 2.285 177.948 175.900 -0.395 0.000 1.155 278 Y CA 2.049 60.007 58.100 -0.238 0.000 1.105 278 Y CB -0.796 37.549 38.460 -0.190 0.000 0.960 278 Y HN 0.046 nan 8.280 nan 0.000 0.486 279 A N 0.567 122.903 122.820 -0.806 0.000 1.884 279 A HA -0.272 4.069 4.320 0.036 0.000 0.219 279 A C 2.205 179.670 177.584 -0.198 0.000 1.197 279 A CA 2.343 53.834 52.037 -0.910 0.000 0.637 279 A CB -0.718 17.835 19.000 -0.745 0.000 0.827 279 A HN 0.469 nan 8.150 nan 0.000 0.450 280 K N 0.604 120.975 120.400 -0.048 0.000 2.211 280 K HA -0.107 4.235 4.320 0.036 0.000 0.204 280 K C 2.067 178.681 176.600 0.024 0.000 1.047 280 K CA 1.480 57.814 56.287 0.078 0.000 0.935 280 K CB -0.596 31.877 32.500 -0.045 0.000 0.728 280 K HN 0.716 nan 8.250 nan 0.000 0.452 281 S N 0.150 115.794 115.700 -0.093 0.000 2.607 281 S HA -0.027 4.465 4.470 0.036 0.000 0.224 281 S C 0.544 174.967 174.600 -0.295 0.000 0.969 281 S CA -0.028 58.054 58.200 -0.196 0.000 0.927 281 S CB -0.418 62.592 63.200 -0.317 0.000 0.772 281 S HN 0.253 nan 8.310 nan 0.000 0.533 282 H N 1.476 120.428 119.070 -0.198 0.000 2.466 282 H HA 0.410 4.986 4.556 0.033 0.000 0.338 282 H C -0.274 175.087 175.328 0.056 0.000 1.091 282 H CA -0.711 55.251 56.048 -0.142 0.000 1.207 282 H CB 1.061 30.604 29.762 -0.365 0.000 1.466 282 H HN 0.358 nan 8.280 nan 0.000 0.493 283 E N 1.368 121.697 120.200 0.215 0.000 2.369 283 E HA 0.017 4.389 4.350 0.036 0.000 0.255 283 E C -0.018 176.784 176.600 0.336 0.000 1.172 283 E CA -0.428 56.114 56.400 0.237 0.000 0.932 283 E CB 0.691 30.493 29.700 0.170 0.000 1.040 283 E HN 0.546 nan 8.360 nan 0.000 0.454 284 Q N -1.295 118.661 119.800 0.260 0.000 2.478 284 Q HA -0.163 4.198 4.340 0.036 0.000 0.286 284 Q C -1.385 174.787 176.000 0.287 0.000 1.299 284 Q CA -0.041 55.904 55.803 0.238 0.000 0.826 284 Q CB -1.402 27.442 28.738 0.178 0.000 1.199 284 Q HN 0.168 nan 8.270 nan 0.000 0.451 285 V N 0.571 120.634 119.914 0.250 0.000 2.444 285 V HA 0.415 4.556 4.120 0.036 0.000 0.294 285 V C -0.446 175.661 176.094 0.022 0.000 1.022 285 V CA -0.587 61.765 62.300 0.086 0.000 0.850 285 V CB 1.275 33.068 31.823 -0.050 0.000 0.992 285 V HN 0.385 nan 8.190 nan 0.000 0.426 286 W N 7.215 128.358 121.300 -0.261 0.000 2.288 286 W HA 0.623 5.305 4.660 0.036 0.000 0.325 286 W C -0.822 175.524 176.519 -0.288 0.000 1.019 286 W CA -2.025 55.205 57.345 -0.192 0.000 1.403 286 W CB 0.562 29.910 29.460 -0.187 0.000 1.226 286 W HN 0.420 nan 8.180 nan 0.000 0.391 287 F N 4.737 124.667 119.950 -0.034 0.000 2.467 287 F HA 0.447 4.994 4.527 0.034 0.000 0.362 287 F C 1.090 176.606 175.800 -0.474 0.000 1.090 287 F CA 0.079 57.999 58.000 -0.134 0.000 1.202 287 F CB 0.970 40.004 39.000 0.056 0.000 1.113 287 F HN 0.141 nan 8.300 nan 0.000 0.541 288 T N 2.904 117.205 114.554 -0.422 0.000 2.802 288 T HA 0.512 4.883 4.350 0.036 0.000 0.311 288 T C -0.756 173.712 174.700 -0.387 0.000 1.405 288 T CA -1.047 60.661 62.100 -0.653 0.000 1.016 288 T CB 1.036 68.903 68.868 -1.669 0.000 1.352 288 T HN 0.609 nan 8.240 nan 0.000 0.498 289 R N 1.338 121.666 120.500 -0.287 0.000 2.500 289 R HA 0.492 4.853 4.340 0.036 0.000 0.275 289 R C 1.697 177.849 176.300 -0.246 0.000 1.051 289 R CA -0.639 55.345 56.100 -0.193 0.000 1.088 289 R CB 0.653 30.909 30.300 -0.073 0.000 1.063 289 R HN 0.605 nan 8.270 nan 0.000 0.511 290 R N 0.717 121.075 120.500 -0.236 0.000 2.096 290 R HA -0.140 4.221 4.340 0.036 0.000 0.235 290 R C 2.019 178.114 176.300 -0.341 0.000 1.127 290 R CA 1.105 56.992 56.100 -0.354 0.000 0.968 290 R CB -0.441 29.609 30.300 -0.416 0.000 0.861 290 R HN 0.382 nan 8.270 nan 0.000 0.440 291 V N 2.253 122.116 119.914 -0.084 0.000 2.392 291 V HA -0.257 3.885 4.120 0.036 0.000 0.249 291 V C 1.148 177.298 176.094 0.094 0.000 1.059 291 V CA 2.148 64.510 62.300 0.103 0.000 1.051 291 V CB -0.284 31.662 31.823 0.204 0.000 0.658 291 V HN 0.306 nan 8.190 nan 0.000 0.455 292 D N -0.267 120.171 120.400 0.064 0.000 2.149 292 D HA -0.102 4.559 4.640 0.036 0.000 0.201 292 D C 2.026 178.504 176.300 0.297 0.000 0.972 292 D CA 1.469 55.576 54.000 0.178 0.000 0.835 292 D CB -0.237 40.635 40.800 0.120 0.000 0.966 292 D HN 0.485 nan 8.370 nan 0.000 0.476 293 I N 1.262 121.893 120.570 0.101 0.000 2.286 293 I HA -0.256 3.936 4.170 0.036 0.000 0.248 293 I C 2.403 178.695 176.117 0.290 0.000 1.115 293 I CA 0.905 62.338 61.300 0.222 0.000 1.392 293 I CB -0.047 37.891 38.000 -0.103 0.000 1.065 293 I HN -0.069 nan 8.210 nan 0.000 0.418 294 A N 0.869 123.747 122.820 0.096 0.000 1.841 294 A HA -0.177 4.165 4.320 0.036 0.000 0.214 294 A C 2.354 180.183 177.584 0.408 0.000 1.195 294 A CA 1.302 53.450 52.037 0.186 0.000 0.611 294 A CB -0.584 18.516 19.000 0.165 0.000 0.835 294 A HN 0.273 nan 8.150 nan 0.000 0.443 295 R N -1.335 119.365 120.500 0.334 0.000 2.159 295 R HA -0.194 4.167 4.340 0.036 0.000 0.237 295 R C 2.123 178.677 176.300 0.423 0.000 1.131 295 R CA 1.641 57.937 56.100 0.327 0.000 0.982 295 R CB -0.616 29.823 30.300 0.232 0.000 0.868 295 R HN 0.841 nan 8.270 nan 0.000 0.453 296 H N -0.221 119.109 119.070 0.434 0.000 2.357 296 H HA -0.146 4.432 4.556 0.037 0.000 0.301 296 H C 1.850 177.481 175.328 0.504 0.000 1.082 296 H CA 1.622 57.956 56.048 0.476 0.000 1.342 296 H CB -0.140 30.011 29.762 0.648 0.000 1.389 296 H HN 0.275 nan 8.280 nan 0.000 0.511 297 W N 0.950 122.438 121.300 0.313 0.000 2.378 297 W HA -0.205 4.477 4.660 0.036 0.000 0.313 297 W C 2.098 178.812 176.519 0.324 0.000 1.197 297 W CA 1.622 59.105 57.345 0.230 0.000 1.304 297 W CB -0.552 28.957 29.460 0.081 0.000 1.148 297 W HN 0.398 nan 8.180 nan 0.000 0.494 298 H N -0.246 119.119 119.070 0.492 0.000 2.297 298 H HA -0.257 4.321 4.556 0.036 0.000 0.289 298 H C 2.163 177.622 175.328 0.219 0.000 1.105 298 H CA 2.564 58.895 56.048 0.472 0.000 1.219 298 H CB -0.487 29.510 29.762 0.392 0.000 1.351 298 H HN 0.191 nan 8.280 nan 0.000 0.481 299 A N -0.198 122.758 122.820 0.228 0.000 1.898 299 A HA -0.092 4.249 4.320 0.036 0.000 0.214 299 A C 2.609 180.125 177.584 -0.113 0.000 1.183 299 A CA 1.708 53.777 52.037 0.054 0.000 0.622 299 A CB -0.515 18.508 19.000 0.039 0.000 0.824 299 A HN 0.405 nan 8.150 nan 0.000 0.444 300 T N -0.779 113.626 114.554 -0.248 0.000 2.851 300 T HA 0.022 4.393 4.350 0.036 0.000 0.262 300 T C 0.538 174.851 174.700 -0.645 0.000 1.043 300 T CA 1.019 62.839 62.100 -0.467 0.000 1.140 300 T CB -0.183 68.326 68.868 -0.599 0.000 0.872 300 T HN 0.582 nan 8.240 nan 0.000 0.446 301 H N 0.973 119.798 119.070 -0.408 0.000 2.490 301 H HA 0.227 4.804 4.556 0.036 0.000 0.230 301 H C -2.890 172.494 175.328 0.093 0.000 1.417 301 H CA -1.705 54.157 56.048 -0.310 0.000 1.449 301 H CB 0.766 30.098 29.762 -0.717 0.000 1.649 301 H HN 0.246 nan 8.280 nan 0.000 0.519 302 P HA -0.115 nan 4.420 nan 0.000 0.267 302 P C 0.171 177.404 177.300 -0.111 0.000 1.205 302 P CA -0.017 63.108 63.100 0.042 0.000 0.765 302 P CB 0.828 32.506 31.700 -0.037 0.000 0.828 303 Y N 4.213 123.993 120.300 -0.866 0.000 2.904 303 Y HA 0.034 4.606 4.550 0.036 0.000 0.336 303 Y C 0.717 176.358 175.900 -0.432 0.000 1.263 303 Y CA 0.614 58.077 58.100 -1.062 0.000 1.547 303 Y CB -0.057 37.507 38.460 -1.494 0.000 1.272 303 Y HN 0.492 nan 8.280 nan 0.000 0.596 304 T N 0.000 114.169 114.554 -0.642 0.000 3.816 304 T HA 0.000 4.372 4.350 0.036 0.000 0.228 304 T CA 0.000 61.806 62.100 -0.489 0.000 1.349 304 T CB 0.000 68.751 68.868 -0.196 0.000 0.612 304 T HN 0.000 nan 8.240 nan 0.000 0.658