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 1q2x_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMDR MSQENDFENL NPVFFTTSQA XXXXXXXXXX DATA SEQUENCE XXXXLKSAFD IEELKKLDII VTCQGGDYTN EVYPKLKATG WDGYWVDAAS DATA SEQUENCE ALRMKDDAII VLDPVNQHVI SEGLKKGIKT FVGGNXTVSL MLMAIGGLFE DATA SEQUENCE KDLVEWISVA TYQAASGAGA KNMRELLSQM GLLEQAVSSE LKDPASSILD DATA SEQUENCE IERKVTAKMR ADNFPTDNFG AALGGSLIPW IDKLLPETGQ TKDEWKGYAE DATA SEQUENCE TNKILGLSDN PIPVDGLCVR IGALRCHSQA FTIKLKKDLP LEEIEQIIAS DATA SEQUENCE HNEWVKVIPN DKEITLRELT PAKVTGTLSV PVGRLRKLAM GPEYLAAFTV DATA SEQUENCE GDQLLWGAAE PVRRILKQLV A 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 K N 2.459 122.865 120.400 0.010 0.000 2.368 2 K HA 0.278 4.598 4.320 -0.000 0.000 0.282 2 K C -0.630 175.984 176.600 0.024 0.000 1.035 2 K CA -0.170 56.124 56.287 0.012 0.000 0.973 2 K CB 0.263 32.755 32.500 -0.014 0.000 0.957 2 K HN 0.512 nan 8.250 nan 0.000 0.474 3 N N 2.451 121.174 118.700 0.039 0.000 2.420 3 N HA 0.127 4.867 4.740 -0.000 0.000 0.249 3 N C -0.603 174.926 175.510 0.031 0.000 1.033 3 N CA -0.223 52.854 53.050 0.046 0.000 0.944 3 N CB 1.108 39.635 38.487 0.067 0.000 1.113 3 N HN 0.132 nan 8.380 nan 0.000 0.502 4 V N 0.771 120.673 119.914 -0.020 0.000 2.417 4 V HA 0.578 4.698 4.120 -0.000 0.000 0.291 4 V C 0.860 176.785 176.094 -0.283 0.000 1.024 4 V CA -1.009 61.184 62.300 -0.177 0.000 0.861 4 V CB 1.659 33.308 31.823 -0.289 0.000 0.985 4 V HN 0.624 nan 8.190 nan 0.000 0.436 5 G N 3.136 111.763 108.800 -0.288 0.000 2.348 5 G HA2 0.661 4.621 3.960 -0.000 0.000 0.312 5 G HA3 0.661 4.621 3.960 -0.000 0.000 0.312 5 G C -1.222 173.390 174.900 -0.479 0.000 1.126 5 G CA -0.272 44.770 45.100 -0.098 0.000 0.865 5 G HN 0.436 nan 8.290 nan 0.000 0.474 6 F N 1.324 121.298 119.950 0.040 0.000 2.449 6 F HA 0.520 5.047 4.527 -0.000 0.000 0.342 6 F C -0.069 175.915 175.800 0.306 0.000 1.127 6 F CA -0.653 57.383 58.000 0.059 0.000 0.975 6 F CB 2.128 41.094 39.000 -0.056 0.000 1.146 6 F HN 0.139 nan 8.300 nan 0.000 0.444 7 I N 1.908 122.637 120.570 0.264 0.000 2.509 7 I HA 0.621 4.791 4.170 -0.000 0.000 0.293 7 I C 0.599 176.753 176.117 0.061 0.000 1.020 7 I CA -0.601 60.768 61.300 0.114 0.000 1.088 7 I CB 1.804 39.594 38.000 -0.349 0.000 1.267 7 I HN 0.751 nan 8.210 nan 0.000 0.430 8 G N 4.627 113.411 108.800 -0.027 0.000 2.160 8 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 8 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 8 G C 0.560 175.434 174.900 -0.044 0.000 1.022 8 G CA 0.452 45.477 45.100 -0.126 0.000 0.741 8 G HN 0.909 nan 8.290 nan 0.000 0.508 9 W N -0.623 120.724 121.300 0.078 0.000 2.699 9 W HA 0.207 4.867 4.660 -0.000 0.000 0.249 9 W C 1.274 177.812 176.519 0.031 0.000 1.280 9 W CA 0.591 57.997 57.345 0.102 0.000 1.345 9 W CB -0.439 29.156 29.460 0.225 0.000 1.128 9 W HN 0.371 nan 8.180 nan 0.000 0.642 10 R N 0.530 120.676 120.500 -0.590 0.000 2.334 10 R HA 0.182 4.522 4.340 -0.000 0.000 0.212 10 R C 1.666 177.816 176.300 -0.249 0.000 0.897 10 R CA 0.328 56.129 56.100 -0.497 0.000 1.056 10 R CB 0.232 30.074 30.300 -0.763 0.000 1.046 10 R HN 0.057 nan 8.270 nan 0.000 0.513 11 G N 0.256 108.947 108.800 -0.182 0.000 2.516 11 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.276 11 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.276 11 G C 0.603 175.468 174.900 -0.059 0.000 1.390 11 G CA -0.489 44.547 45.100 -0.106 0.000 1.050 11 G HN 0.049 nan 8.290 nan 0.000 0.519 12 M N -1.020 118.557 119.600 -0.037 0.000 2.098 12 M HA -0.066 4.414 4.480 -0.000 0.000 0.262 12 M C 2.492 178.787 176.300 -0.008 0.000 1.072 12 M CA 1.418 56.705 55.300 -0.021 0.000 1.133 12 M CB -0.284 32.308 32.600 -0.014 0.000 1.344 12 M HN 0.230 nan 8.290 nan 0.000 0.414 13 V N 0.457 120.369 119.914 -0.003 0.000 2.343 13 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 13 V C 2.584 178.692 176.094 0.022 0.000 1.051 13 V CA 2.101 64.404 62.300 0.004 0.000 1.036 13 V CB -1.694 30.135 31.823 0.010 0.000 0.654 13 V HN 0.753 nan 8.190 nan 0.000 0.451 14 G N -0.848 107.973 108.800 0.035 0.000 2.422 14 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 14 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 14 G C 1.838 176.805 174.900 0.111 0.000 1.146 14 G CA 1.204 46.359 45.100 0.092 0.000 0.769 14 G HN 0.513 nan 8.290 nan 0.000 0.547 15 S N -0.269 115.464 115.700 0.056 0.000 2.387 15 S HA -0.059 4.411 4.470 -0.000 0.000 0.226 15 S C 2.499 177.126 174.600 0.045 0.000 1.026 15 S CA 0.925 59.159 58.200 0.056 0.000 0.972 15 S CB -0.093 63.114 63.200 0.012 0.000 0.814 15 S HN 0.189 nan 8.310 nan 0.000 0.477 16 V N 1.929 121.854 119.914 0.019 0.000 2.427 16 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 16 V C 2.226 178.316 176.094 -0.006 0.000 1.051 16 V CA 1.377 63.674 62.300 -0.005 0.000 1.048 16 V CB -0.613 31.193 31.823 -0.028 0.000 0.666 16 V HN 0.375 nan 8.190 nan 0.000 0.456 17 L N -0.442 120.791 121.223 0.016 0.000 2.017 17 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 17 L C 2.337 179.230 176.870 0.039 0.000 1.073 17 L CA 2.125 56.976 54.840 0.018 0.000 0.745 17 L CB -0.596 41.502 42.059 0.064 0.000 0.894 17 L HN 0.160 nan 8.230 nan 0.000 0.432 18 M N -0.729 118.935 119.600 0.107 0.000 2.159 18 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 18 M C 1.956 178.334 176.300 0.130 0.000 1.063 18 M CA 1.508 56.907 55.300 0.166 0.000 1.110 18 M CB -1.404 31.311 32.600 0.193 0.000 1.374 18 M HN 0.284 nan 8.290 nan 0.000 0.411 19 D N -0.164 120.276 120.400 0.067 0.000 2.097 19 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 19 D C 2.242 178.553 176.300 0.019 0.000 0.984 19 D CA 0.927 54.950 54.000 0.038 0.000 0.826 19 D CB -0.125 40.684 40.800 0.015 0.000 0.973 19 D HN 0.137 nan 8.370 nan 0.000 0.460 20 R N -0.044 120.447 120.500 -0.015 0.000 2.075 20 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 20 R C 2.347 178.610 176.300 -0.061 0.000 1.126 20 R CA 0.609 56.677 56.100 -0.054 0.000 0.963 20 R CB -0.572 29.665 30.300 -0.104 0.000 0.858 20 R HN 0.343 nan 8.270 nan 0.000 0.435 21 M N -0.267 119.287 119.600 -0.077 0.000 2.175 21 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 21 M C 2.329 178.594 176.300 -0.059 0.000 1.063 21 M CA 1.357 56.542 55.300 -0.191 0.000 1.119 21 M CB -0.166 32.149 32.600 -0.476 0.000 1.377 21 M HN 0.006 nan 8.290 nan 0.000 0.415 22 S N -0.067 115.712 115.700 0.131 0.000 2.368 22 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 22 S C 1.801 176.448 174.600 0.079 0.000 1.029 22 S CA 1.166 59.479 58.200 0.189 0.000 0.988 22 S CB -0.084 63.204 63.200 0.146 0.000 0.838 22 S HN 0.473 nan 8.310 nan 0.000 0.462 23 Q N 0.124 119.946 119.800 0.036 0.000 2.167 23 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 23 Q C 1.227 177.232 176.000 0.009 0.000 0.970 23 Q CA 0.930 56.743 55.803 0.016 0.000 0.855 23 Q CB 0.052 28.791 28.738 0.002 0.000 0.911 23 Q HN 0.358 nan 8.270 nan 0.000 0.438 24 E N 0.029 120.224 120.200 -0.008 0.000 2.463 24 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 24 E C -0.459 176.133 176.600 -0.015 0.000 1.041 24 E CA -0.094 56.297 56.400 -0.016 0.000 0.879 24 E CB 0.081 29.757 29.700 -0.039 0.000 0.997 24 E HN 0.299 nan 8.360 nan 0.000 0.478 25 N N 1.846 120.552 118.700 0.010 0.000 2.727 25 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 25 N C -0.059 175.449 175.510 -0.004 0.000 1.048 25 N CA 0.622 53.695 53.050 0.038 0.000 0.714 25 N CB -0.412 38.097 38.487 0.036 0.000 0.959 25 N HN 0.098 nan 8.380 nan 0.000 0.544 26 D N -0.831 119.504 120.400 -0.109 0.000 2.312 26 D HA -0.039 4.601 4.640 -0.000 0.000 0.211 26 D C 1.304 177.469 176.300 -0.226 0.000 0.964 26 D CA 0.791 54.664 54.000 -0.213 0.000 0.877 26 D CB -0.069 40.530 40.800 -0.335 0.000 0.924 26 D HN 0.511 nan 8.370 nan 0.000 0.515 27 F N 1.126 121.067 119.950 -0.016 0.000 2.502 27 F HA -0.017 4.510 4.527 0.000 0.000 0.298 27 F C 2.287 178.086 175.800 -0.002 0.000 1.111 27 F CA 0.471 58.464 58.000 -0.012 0.000 1.445 27 F CB 0.145 39.126 39.000 -0.032 0.000 1.081 27 F HN -0.160 nan 8.300 nan 0.000 0.558 28 E N 0.177 120.465 120.200 0.146 0.000 2.347 28 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 28 E C 0.833 177.465 176.600 0.052 0.000 1.008 28 E CA 0.703 57.153 56.400 0.085 0.000 0.852 28 E CB -0.336 29.397 29.700 0.055 0.000 0.783 28 E HN 0.463 nan 8.360 nan 0.000 0.505 29 N N -0.177 118.544 118.700 0.033 0.000 2.230 29 N HA 0.115 4.855 4.740 -0.000 0.000 0.202 29 N C -0.335 175.184 175.510 0.015 0.000 1.119 29 N CA 0.045 53.101 53.050 0.010 0.000 0.851 29 N CB 0.469 38.945 38.487 -0.018 0.000 0.990 29 N HN 0.003 nan 8.380 nan 0.000 0.497 30 L N -4.053 117.199 121.223 0.049 0.000 2.600 30 L HA 0.504 4.844 4.340 -0.000 0.000 0.257 30 L C -0.970 175.962 176.870 0.102 0.000 1.048 30 L CA -1.085 53.792 54.840 0.062 0.000 0.869 30 L CB 1.380 43.477 42.059 0.065 0.000 1.482 30 L HN -0.187 nan 8.230 nan 0.000 0.408 31 N N 1.536 120.289 118.700 0.088 0.000 2.501 31 N HA 0.430 5.170 4.740 -0.000 0.000 0.245 31 N C -2.704 172.865 175.510 0.098 0.000 0.974 31 N CA -1.527 51.573 53.050 0.083 0.000 0.941 31 N CB 1.733 40.250 38.487 0.049 0.000 1.122 31 N HN 0.602 nan 8.380 nan 0.000 0.507 32 P HA 0.154 nan 4.420 nan 0.000 0.286 32 P C -0.885 176.292 177.300 -0.205 0.000 1.269 32 P CA -0.325 62.797 63.100 0.037 0.000 0.787 32 P CB 1.686 33.396 31.700 0.017 0.000 0.920 33 V N 5.039 124.785 119.914 -0.279 0.000 2.443 33 V HA 0.334 4.454 4.120 -0.000 0.000 0.293 33 V C -0.172 175.635 176.094 -0.478 0.000 1.021 33 V CA -0.439 61.680 62.300 -0.303 0.000 0.848 33 V CB 0.765 32.509 31.823 -0.131 0.000 0.998 33 V HN 0.352 nan 8.190 nan 0.000 0.424 34 F N 4.671 124.470 119.950 -0.252 0.000 2.404 34 F HA 0.678 5.205 4.527 -0.000 0.000 0.345 34 F C -0.033 175.600 175.800 -0.277 0.000 1.110 34 F CA -0.306 57.539 58.000 -0.258 0.000 1.130 34 F CB 0.993 39.623 39.000 -0.616 0.000 1.129 34 F HN 0.288 nan 8.300 nan 0.000 0.500 35 F N 0.577 120.740 119.950 0.355 0.000 2.523 35 F HA 0.659 5.186 4.527 0.000 0.000 0.329 35 F C 0.348 176.342 175.800 0.323 0.000 1.061 35 F CA -0.731 57.420 58.000 0.253 0.000 0.967 35 F CB 2.199 41.257 39.000 0.095 0.000 1.218 35 F HN 0.306 nan 8.300 nan 0.000 0.480 36 T N -1.197 113.549 114.554 0.320 0.000 2.896 36 T HA 0.380 4.730 4.350 -0.000 0.000 0.297 36 T C 0.393 175.118 174.700 0.042 0.000 1.108 36 T CA -0.108 62.084 62.100 0.153 0.000 1.004 36 T CB 1.414 70.370 68.868 0.147 0.000 1.159 36 T HN 0.765 nan 8.240 nan 0.000 0.499 37 T N -0.499 114.053 114.554 -0.004 0.000 3.022 37 T HA 0.280 4.630 4.350 -0.000 0.000 0.250 37 T C 1.085 175.895 174.700 0.184 0.000 1.060 37 T CA 0.084 62.224 62.100 0.067 0.000 1.013 37 T CB 0.068 68.996 68.868 0.100 0.000 0.982 37 T HN 0.464 nan 8.240 nan 0.000 0.508 38 S N 0.953 116.714 115.700 0.102 0.000 2.564 38 S HA 0.168 4.638 4.470 -0.000 0.000 0.278 38 S C 0.744 175.408 174.600 0.107 0.000 1.333 38 S CA -0.434 57.820 58.200 0.090 0.000 1.048 38 S CB 0.804 64.030 63.200 0.044 0.000 0.900 38 S HN 0.507 nan 8.310 nan 0.000 0.505 39 Q N 1.719 121.574 119.800 0.093 0.000 2.219 39 Q HA 0.323 4.663 4.340 -0.000 0.000 0.209 39 Q C 0.306 176.341 176.000 0.057 0.000 0.854 39 Q CA -0.272 55.582 55.803 0.084 0.000 0.960 39 Q CB 0.836 29.622 28.738 0.080 0.000 1.116 39 Q HN 0.738 nan 8.270 nan 0.000 0.500 56 K N 0.958 121.261 120.400 -0.163 0.000 2.138 56 K HA 0.557 4.877 4.320 -0.000 0.000 0.251 56 K C -0.075 176.576 176.600 0.086 0.000 1.015 56 K CA -0.359 55.850 56.287 -0.130 0.000 0.917 56 K CB 1.119 33.398 32.500 -0.368 0.000 1.021 56 K HN 0.512 nan 8.250 nan 0.000 0.485 57 S N 0.619 116.450 115.700 0.217 0.000 2.513 57 S HA 0.229 4.699 4.470 -0.000 0.000 0.276 57 S C 0.835 175.650 174.600 0.357 0.000 1.254 57 S CA -0.542 57.817 58.200 0.264 0.000 1.053 57 S CB 0.981 64.325 63.200 0.239 0.000 0.958 57 S HN 0.636 nan 8.310 nan 0.000 0.491 58 A N 4.443 127.337 122.820 0.122 0.000 2.216 58 A HA 0.155 4.475 4.320 -0.000 0.000 0.214 58 A C 0.791 178.243 177.584 -0.221 0.000 1.160 58 A CA 0.878 52.848 52.037 -0.112 0.000 0.725 58 A CB -0.505 18.276 19.000 -0.364 0.000 0.784 58 A HN 0.820 nan 8.150 nan 0.000 0.472 59 F N -0.807 119.283 119.950 0.233 0.000 2.704 59 F HA 0.205 4.732 4.527 -0.000 0.000 0.304 59 F C 0.606 176.451 175.800 0.076 0.000 1.094 59 F CA -1.131 56.946 58.000 0.129 0.000 1.275 59 F CB 0.313 39.382 39.000 0.116 0.000 1.073 59 F HN 0.078 nan 8.300 nan 0.000 0.586 60 D N 2.217 122.757 120.400 0.233 0.000 2.416 60 D HA 0.045 4.685 4.640 -0.000 0.000 0.240 60 D C 1.589 177.945 176.300 0.093 0.000 1.250 60 D CA 0.222 54.323 54.000 0.168 0.000 0.967 60 D CB 0.375 41.291 40.800 0.193 0.000 1.059 60 D HN 0.013 nan 8.370 nan 0.000 0.512 61 I N 2.541 123.140 120.570 0.048 0.000 2.423 61 I HA -0.223 3.947 4.170 -0.000 0.000 0.254 61 I C 1.990 178.089 176.117 -0.031 0.000 1.151 61 I CA 1.003 62.285 61.300 -0.029 0.000 1.421 61 I CB -0.439 37.537 38.000 -0.039 0.000 1.079 61 I HN 0.413 nan 8.210 nan 0.000 0.431 62 E N 0.538 120.751 120.200 0.022 0.000 2.107 62 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 62 E C 2.020 178.658 176.600 0.064 0.000 0.982 62 E CA 0.727 57.149 56.400 0.037 0.000 0.809 62 E CB -0.047 29.683 29.700 0.048 0.000 0.756 62 E HN 0.471 nan 8.360 nan 0.000 0.459 63 E N 0.568 120.830 120.200 0.105 0.000 2.112 63 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 63 E C 2.338 179.049 176.600 0.185 0.000 0.979 63 E CA 0.307 56.814 56.400 0.178 0.000 0.814 63 E CB -0.138 29.729 29.700 0.278 0.000 0.762 63 E HN 0.270 nan 8.360 nan 0.000 0.460 64 L N 0.635 121.881 121.223 0.039 0.000 2.217 64 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 64 L C 2.486 179.223 176.870 -0.221 0.000 1.107 64 L CA 0.813 55.547 54.840 -0.176 0.000 0.783 64 L CB -0.206 41.638 42.059 -0.359 0.000 0.919 64 L HN -0.004 nan 8.230 nan 0.000 0.442 65 K N 0.567 120.887 120.400 -0.133 0.000 2.288 65 K HA -0.128 4.192 4.320 -0.000 0.000 0.201 65 K C 1.857 178.593 176.600 0.228 0.000 1.048 65 K CA 0.917 57.184 56.287 -0.034 0.000 0.956 65 K CB 0.189 32.705 32.500 0.026 0.000 0.746 65 K HN 0.266 nan 8.250 nan 0.000 0.461 66 K N 0.225 120.729 120.400 0.174 0.000 2.288 66 K HA 0.021 4.341 4.320 -0.000 0.000 0.201 66 K C 0.499 177.234 176.600 0.225 0.000 1.048 66 K CA 0.330 56.727 56.287 0.185 0.000 0.956 66 K CB 0.075 32.658 32.500 0.139 0.000 0.746 66 K HN 0.068 nan 8.250 nan 0.000 0.461 67 L N 1.184 122.579 121.223 0.286 0.000 2.418 67 L HA 0.040 4.380 4.340 -0.000 0.000 0.265 67 L C 0.964 178.061 176.870 0.379 0.000 1.143 67 L CA -0.409 54.604 54.840 0.289 0.000 0.809 67 L CB 0.645 42.848 42.059 0.240 0.000 1.124 67 L HN 0.007 nan 8.230 nan 0.000 0.456 68 D N 1.232 121.768 120.400 0.226 0.000 2.216 68 D HA 0.194 4.834 4.640 -0.000 0.000 0.208 68 D C 0.310 176.738 176.300 0.213 0.000 0.960 68 D CA 1.330 55.427 54.000 0.161 0.000 0.861 68 D CB 0.598 41.456 40.800 0.096 0.000 0.985 68 D HN 0.272 nan 8.370 nan 0.000 0.493 69 I N 0.843 121.542 120.570 0.215 0.000 2.686 69 I HA 0.237 4.407 4.170 -0.000 0.000 0.295 69 I C -0.896 175.287 176.117 0.110 0.000 1.114 69 I CA -0.769 60.653 61.300 0.204 0.000 1.038 69 I CB 3.166 41.176 38.000 0.017 0.000 1.238 69 I HN -0.298 nan 8.210 nan 0.000 0.420 70 I N 5.543 126.181 120.570 0.114 0.000 2.406 70 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 70 I C -0.521 175.351 176.117 -0.408 0.000 0.999 70 I CA -0.730 60.435 61.300 -0.225 0.000 1.124 70 I CB 1.933 39.730 38.000 -0.339 0.000 1.289 70 I HN 0.155 nan 8.210 nan 0.000 0.441 71 V N 5.180 124.794 119.914 -0.500 0.000 2.378 71 V HA 0.459 4.579 4.120 -0.000 0.000 0.288 71 V C 0.129 176.038 176.094 -0.309 0.000 1.016 71 V CA -0.415 61.649 62.300 -0.393 0.000 0.840 71 V CB 1.777 33.371 31.823 -0.382 0.000 0.994 71 V HN 0.835 nan 8.190 nan 0.000 0.431 72 T N 3.710 118.075 114.554 -0.315 0.000 2.848 72 T HA 0.366 4.716 4.350 -0.000 0.000 0.285 72 T C 0.045 174.706 174.700 -0.065 0.000 0.995 72 T CA -0.228 61.748 62.100 -0.208 0.000 0.970 72 T CB 1.090 69.788 68.868 -0.283 0.000 0.976 72 T HN 0.705 nan 8.240 nan 0.000 0.441 73 C N 3.893 123.179 119.300 -0.023 0.000 3.255 73 C HA 0.272 4.732 4.460 -0.000 0.000 0.282 73 C C 1.984 176.965 174.990 -0.015 0.000 1.441 73 C CA -0.464 58.560 59.018 0.011 0.000 1.785 73 C CB -0.598 27.167 27.740 0.041 0.000 2.583 73 C HN 0.964 nan 8.230 nan 0.000 0.615 74 Q N 1.983 121.740 119.800 -0.072 0.000 2.119 74 Q HA 0.287 4.627 4.340 -0.000 0.000 0.201 74 Q C 1.053 177.068 176.000 0.025 0.000 0.972 74 Q CA 1.931 57.667 55.803 -0.112 0.000 0.847 74 Q CB -0.021 28.464 28.738 -0.422 0.000 0.903 74 Q HN 0.698 nan 8.270 nan 0.000 0.433 75 G N -3.513 105.353 108.800 0.110 0.000 2.357 75 G HA2 0.129 4.089 3.960 -0.000 0.000 0.643 75 G HA3 0.129 4.089 3.960 -0.000 0.000 0.643 75 G C 0.418 175.443 174.900 0.208 0.000 1.358 75 G CA -0.287 44.898 45.100 0.141 0.000 0.986 75 G HN 0.291 nan 8.290 nan 0.000 0.620 76 G N -0.606 108.290 108.800 0.160 0.000 2.442 76 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.219 76 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.219 76 G C 1.151 176.144 174.900 0.154 0.000 1.141 76 G CA 1.950 47.139 45.100 0.148 0.000 0.763 76 G HN 0.690 nan 8.290 nan 0.000 0.554 77 D N -1.072 119.422 120.400 0.158 0.000 2.264 77 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 77 D C 1.718 178.144 176.300 0.210 0.000 0.966 77 D CA 0.521 54.611 54.000 0.150 0.000 0.864 77 D CB -0.071 40.808 40.800 0.132 0.000 0.933 77 D HN 0.485 nan 8.370 nan 0.000 0.499 78 Y N 1.281 121.676 120.300 0.158 0.000 2.230 78 Y HA -0.108 4.442 4.550 -0.000 0.000 0.294 78 Y C 2.309 178.346 175.900 0.228 0.000 1.120 78 Y CA 1.429 59.659 58.100 0.217 0.000 1.129 78 Y CB -0.433 38.135 38.460 0.181 0.000 1.040 78 Y HN -0.188 nan 8.280 nan 0.000 0.519 79 T N 1.473 116.208 114.554 0.302 0.000 2.635 79 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 79 T C 1.556 176.268 174.700 0.019 0.000 1.040 79 T CA 1.842 64.091 62.100 0.249 0.000 1.156 79 T CB -0.433 68.633 68.868 0.329 0.000 0.863 79 T HN 0.383 nan 8.240 nan 0.000 0.430 80 N N 0.642 119.364 118.700 0.037 0.000 2.364 80 N HA -0.065 4.675 4.740 -0.000 0.000 0.183 80 N C 1.806 177.302 175.510 -0.022 0.000 1.022 80 N CA 0.720 53.774 53.050 0.007 0.000 0.883 80 N CB -0.112 38.391 38.487 0.027 0.000 0.965 80 N HN 0.612 nan 8.380 nan 0.000 0.438 81 E N 0.155 120.329 120.200 -0.044 0.000 2.079 81 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 81 E C 1.672 178.198 176.600 -0.123 0.000 0.961 81 E CA 0.320 56.681 56.400 -0.065 0.000 0.823 81 E CB 0.321 30.003 29.700 -0.031 0.000 0.789 81 E HN -0.052 nan 8.360 nan 0.000 0.459 82 V N 0.920 120.700 119.914 -0.225 0.000 2.346 82 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 82 V C 2.180 178.108 176.094 -0.277 0.000 1.037 82 V CA 1.763 63.906 62.300 -0.262 0.000 1.029 82 V CB -0.694 30.829 31.823 -0.500 0.000 0.663 82 V HN 0.380 nan 8.190 nan 0.000 0.454 83 Y N 2.794 122.757 120.300 -0.562 0.000 2.081 83 Y HA -0.178 4.372 4.550 -0.000 0.000 0.280 83 Y C 0.159 175.775 175.900 -0.473 0.000 1.163 83 Y CA 2.459 60.042 58.100 -0.862 0.000 1.135 83 Y CB -1.458 36.297 38.460 -1.175 0.000 0.970 83 Y HN 0.301 nan 8.280 nan 0.000 0.498 84 P HA -0.131 nan 4.420 nan 0.000 0.221 84 P C 0.852 177.993 177.300 -0.266 0.000 1.150 84 P CA 1.747 64.658 63.100 -0.314 0.000 0.800 84 P CB -0.004 31.612 31.700 -0.141 0.000 0.787 85 K N -0.496 119.772 120.400 -0.220 0.000 2.031 85 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 85 K C 2.173 178.664 176.600 -0.182 0.000 1.049 85 K CA 0.850 57.039 56.287 -0.163 0.000 0.939 85 K CB -0.711 31.715 32.500 -0.124 0.000 0.717 85 K HN 0.051 nan 8.250 nan 0.000 0.438 86 L N 1.683 122.754 121.223 -0.252 0.000 2.141 86 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 86 L C 1.870 178.627 176.870 -0.188 0.000 1.094 86 L CA 1.696 56.373 54.840 -0.272 0.000 0.763 86 L CB -0.090 41.718 42.059 -0.419 0.000 0.908 86 L HN -0.040 nan 8.230 nan 0.000 0.437 87 K N -0.481 119.749 120.400 -0.284 0.000 2.228 87 K HA 0.120 4.440 4.320 -0.000 0.000 0.202 87 K C 1.896 178.418 176.600 -0.131 0.000 1.051 87 K CA 0.970 57.124 56.287 -0.222 0.000 0.960 87 K CB -0.148 32.044 32.500 -0.513 0.000 0.743 87 K HN 0.415 nan 8.250 nan 0.000 0.458 88 A N 1.098 123.835 122.820 -0.138 0.000 2.167 88 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 88 A C 1.889 179.444 177.584 -0.048 0.000 1.151 88 A CA 1.592 53.575 52.037 -0.090 0.000 0.735 88 A CB -0.493 18.451 19.000 -0.093 0.000 0.802 88 A HN 0.388 nan 8.150 nan 0.000 0.467 89 T N -4.893 109.643 114.554 -0.029 0.000 3.107 89 T HA 0.400 4.750 4.350 -0.000 0.000 0.249 89 T C 1.338 176.063 174.700 0.041 0.000 1.096 89 T CA 1.058 63.161 62.100 0.005 0.000 1.012 89 T CB 0.130 69.001 68.868 0.005 0.000 0.977 89 T HN 1.540 nan 8.240 nan 0.000 0.527 90 G N 0.677 109.503 108.800 0.044 0.000 2.157 90 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.239 90 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.239 90 G C -0.135 174.821 174.900 0.094 0.000 0.982 90 G CA -0.300 44.827 45.100 0.044 0.000 0.650 90 G HN 0.668 nan 8.290 nan 0.000 0.527 91 W N 2.046 123.307 121.300 -0.065 0.000 2.520 91 W HA 0.419 5.079 4.660 -0.000 0.000 0.337 91 W C 0.857 177.341 176.519 -0.058 0.000 1.406 91 W CA 0.684 58.001 57.345 -0.046 0.000 1.318 91 W CB 0.404 29.844 29.460 -0.034 0.000 1.338 91 W HN 0.163 nan 8.180 nan 0.000 0.570 92 D N 3.505 123.655 120.400 -0.417 0.000 2.347 92 D HA 0.076 4.716 4.640 -0.000 0.000 0.213 92 D C 1.487 177.288 176.300 -0.831 0.000 0.985 92 D CA 0.885 54.589 54.000 -0.492 0.000 0.879 92 D CB -0.092 40.537 40.800 -0.284 0.000 0.919 92 D HN 0.388 nan 8.370 nan 0.000 0.526 93 G N -0.991 106.882 108.800 -1.545 0.000 2.611 93 G HA2 0.213 4.173 3.960 -0.000 0.000 0.273 93 G HA3 0.213 4.173 3.960 -0.000 0.000 0.273 93 G C -0.760 173.454 174.900 -1.143 0.000 1.305 93 G CA -0.412 43.857 45.100 -1.385 0.000 1.010 93 G HN 0.103 nan 8.290 nan 0.000 0.509 94 Y N -1.149 118.924 120.300 -0.379 0.000 2.323 94 Y HA 0.367 4.917 4.550 -0.000 0.000 0.331 94 Y C -0.085 176.068 175.900 0.422 0.000 1.092 94 Y CA -0.617 57.518 58.100 0.058 0.000 1.150 94 Y CB 1.580 40.109 38.460 0.115 0.000 1.200 94 Y HN 0.481 nan 8.280 nan 0.000 0.472 95 W N 5.417 126.999 121.300 0.469 0.000 2.318 95 W HA 0.610 5.270 4.660 -0.000 0.000 0.315 95 W C -1.951 174.748 176.519 0.300 0.000 1.033 95 W CA -0.924 56.683 57.345 0.437 0.000 1.275 95 W CB 1.382 31.142 29.460 0.499 0.000 1.250 95 W HN 0.220 nan 8.180 nan 0.000 0.421 96 V N 6.557 126.489 119.914 0.031 0.000 2.357 96 V HA 0.200 4.320 4.120 -0.000 0.000 0.284 96 V C -0.314 175.706 176.094 -0.123 0.000 1.018 96 V CA -0.243 62.087 62.300 0.050 0.000 0.841 96 V CB 1.393 33.222 31.823 0.010 0.000 0.991 96 V HN 0.380 nan 8.190 nan 0.000 0.437 97 D N 3.158 123.582 120.400 0.041 0.000 2.498 97 D HA 0.649 5.289 4.640 -0.000 0.000 0.247 97 D C 0.468 176.814 176.300 0.076 0.000 1.070 97 D CA -0.283 53.749 54.000 0.053 0.000 0.842 97 D CB 2.633 43.584 40.800 0.252 0.000 1.361 97 D HN 0.481 nan 8.370 nan 0.000 0.484 98 A N 2.307 125.161 122.820 0.057 0.000 2.147 98 A HA 0.466 4.786 4.320 -0.000 0.000 0.211 98 A C 1.043 178.672 177.584 0.074 0.000 1.160 98 A CA 0.595 52.667 52.037 0.057 0.000 0.781 98 A CB -0.013 19.011 19.000 0.040 0.000 0.842 98 A HN 0.554 nan 8.150 nan 0.000 0.475 99 A N 0.139 123.017 122.820 0.098 0.000 2.332 99 A HA 0.452 4.772 4.320 -0.000 0.000 0.258 99 A C 1.540 179.184 177.584 0.099 0.000 1.087 99 A CA 0.379 52.480 52.037 0.106 0.000 0.802 99 A CB 0.196 19.278 19.000 0.138 0.000 1.042 99 A HN 0.882 nan 8.150 nan 0.000 0.489 100 S N 0.714 116.470 115.700 0.093 0.000 2.470 100 S HA 0.086 4.556 4.470 -0.000 0.000 0.225 100 S C 1.890 176.537 174.600 0.078 0.000 1.006 100 S CA 0.984 59.236 58.200 0.086 0.000 0.934 100 S CB -0.676 62.582 63.200 0.096 0.000 0.778 100 S HN 1.455 nan 8.310 nan 0.000 0.517 101 A N 2.522 125.387 122.820 0.076 0.000 1.929 101 A HA -0.139 4.181 4.320 -0.000 0.000 0.221 101 A C 2.147 179.735 177.584 0.006 0.000 1.211 101 A CA 2.119 54.185 52.037 0.049 0.000 0.657 101 A CB -0.986 18.045 19.000 0.051 0.000 0.827 101 A HN 0.620 nan 8.150 nan 0.000 0.462 102 L N -2.164 119.042 121.223 -0.027 0.000 2.585 102 L HA 0.093 4.433 4.340 -0.000 0.000 0.226 102 L C 2.383 179.230 176.870 -0.038 0.000 1.113 102 L CA 0.009 54.796 54.840 -0.089 0.000 0.876 102 L CB -0.236 41.671 42.059 -0.253 0.000 1.072 102 L HN 0.316 nan 8.230 nan 0.000 0.468 103 R N 0.304 120.808 120.500 0.006 0.000 2.134 103 R HA -0.197 4.143 4.340 -0.000 0.000 0.248 103 R C 1.535 177.836 176.300 0.002 0.000 1.143 103 R CA 1.456 57.561 56.100 0.010 0.000 0.957 103 R CB -0.251 30.063 30.300 0.023 0.000 0.867 103 R HN 0.247 nan 8.270 nan 0.000 0.441 104 M N 0.626 120.246 119.600 0.032 0.000 2.563 104 M HA 0.095 4.575 4.480 -0.000 0.000 0.231 104 M C -0.126 176.192 176.300 0.030 0.000 1.136 104 M CA 0.220 55.547 55.300 0.046 0.000 1.026 104 M CB -0.264 32.415 32.600 0.133 0.000 1.597 104 M HN -0.223 nan 8.290 nan 0.000 0.495 105 K N 1.144 121.546 120.400 0.003 0.000 2.185 105 K HA 0.109 4.429 4.320 -0.000 0.000 0.271 105 K C 0.899 177.489 176.600 -0.016 0.000 1.013 105 K CA -0.010 56.274 56.287 -0.004 0.000 0.943 105 K CB 0.680 33.169 32.500 -0.019 0.000 0.998 105 K HN 0.036 nan 8.250 nan 0.000 0.468 106 D N 0.971 121.364 120.400 -0.011 0.000 2.224 106 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 106 D C 0.340 176.616 176.300 -0.039 0.000 0.965 106 D CA 1.065 55.053 54.000 -0.021 0.000 0.852 106 D CB 0.187 40.980 40.800 -0.012 0.000 0.947 106 D HN 0.607 nan 8.370 nan 0.000 0.494 107 D N 0.342 120.719 120.400 -0.037 0.000 2.325 107 D HA 0.173 4.813 4.640 -0.000 0.000 0.225 107 D C 0.086 176.325 176.300 -0.103 0.000 1.096 107 D CA -0.187 53.779 54.000 -0.057 0.000 0.844 107 D CB 0.042 40.828 40.800 -0.024 0.000 0.925 107 D HN -0.043 nan 8.370 nan 0.000 0.513 108 A N 0.429 123.183 122.820 -0.109 0.000 2.355 108 A HA 0.653 4.973 4.320 -0.000 0.000 0.317 108 A C -0.628 176.865 177.584 -0.152 0.000 1.094 108 A CA -0.764 51.181 52.037 -0.153 0.000 0.764 108 A CB 1.242 20.182 19.000 -0.101 0.000 1.230 108 A HN 0.204 nan 8.150 nan 0.000 0.448 109 I N 2.582 123.016 120.570 -0.227 0.000 2.441 109 I HA 0.344 4.514 4.170 -0.000 0.000 0.295 109 I C -0.600 175.539 176.117 0.037 0.000 0.994 109 I CA -0.596 60.647 61.300 -0.095 0.000 1.144 109 I CB 1.857 39.812 38.000 -0.074 0.000 1.314 109 I HN 0.532 nan 8.210 nan 0.000 0.445 110 I N 6.611 127.210 120.570 0.050 0.000 2.312 110 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 110 I C 0.112 176.291 176.117 0.104 0.000 1.031 110 I CA -0.682 60.658 61.300 0.067 0.000 1.293 110 I CB 1.096 39.102 38.000 0.011 0.000 1.403 110 I HN 0.273 nan 8.210 nan 0.000 0.484 111 V N 5.598 125.597 119.914 0.141 0.000 2.567 111 V HA 0.652 4.772 4.120 -0.000 0.000 0.289 111 V C -0.410 175.730 176.094 0.076 0.000 1.049 111 V CA -0.598 61.776 62.300 0.122 0.000 0.969 111 V CB 1.643 33.543 31.823 0.127 0.000 0.995 111 V HN 0.652 nan 8.190 nan 0.000 0.471 112 L N 4.569 125.828 121.223 0.060 0.000 2.511 112 L HA 0.272 4.612 4.340 -0.000 0.000 0.247 112 L C 0.814 177.702 176.870 0.029 0.000 1.180 112 L CA 0.426 55.297 54.840 0.051 0.000 0.919 112 L CB 0.726 42.788 42.059 0.006 0.000 1.095 112 L HN 0.931 nan 8.230 nan 0.000 0.534 113 D N 0.848 121.276 120.400 0.047 0.000 2.221 113 D HA -0.150 4.490 4.640 -0.000 0.000 0.204 113 D C -1.257 175.066 176.300 0.038 0.000 0.982 113 D CA 1.159 55.181 54.000 0.038 0.000 0.857 113 D CB -0.402 40.418 40.800 0.032 0.000 0.934 113 D HN 0.433 nan 8.370 nan 0.000 0.475 114 P HA 0.007 nan 4.420 nan 0.000 0.233 114 P C 1.545 178.863 177.300 0.030 0.000 1.167 114 P CA 0.392 63.508 63.100 0.027 0.000 0.770 114 P CB 0.373 32.058 31.700 -0.026 0.000 0.837 115 V N -0.074 119.878 119.914 0.062 0.000 2.627 115 V HA 0.051 4.171 4.120 -0.000 0.000 0.239 115 V C 1.109 177.251 176.094 0.079 0.000 1.077 115 V CA 1.351 63.727 62.300 0.128 0.000 1.103 115 V CB -0.568 31.263 31.823 0.014 0.000 0.802 115 V HN 0.205 nan 8.190 nan 0.000 0.482 116 N N 0.127 118.854 118.700 0.045 0.000 2.610 116 N HA 0.096 4.836 4.740 -0.000 0.000 0.309 116 N C 0.895 176.446 175.510 0.069 0.000 1.536 116 N CA -0.198 52.886 53.050 0.056 0.000 0.954 116 N CB 0.685 39.192 38.487 0.033 0.000 1.310 116 N HN 0.229 nan 8.380 nan 0.000 0.502 117 Q N 0.340 120.181 119.800 0.069 0.000 2.096 117 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 117 Q C 1.659 177.704 176.000 0.075 0.000 0.982 117 Q CA 1.687 57.526 55.803 0.059 0.000 0.850 117 Q CB -0.548 28.221 28.738 0.052 0.000 0.901 117 Q HN 0.682 nan 8.270 nan 0.000 0.422 118 H N -0.941 118.143 119.070 0.023 0.000 2.353 118 H HA -0.072 4.484 4.556 -0.000 0.000 0.300 118 H C 1.737 177.087 175.328 0.037 0.000 1.090 118 H CA 1.760 57.823 56.048 0.025 0.000 1.327 118 H CB 0.298 30.073 29.762 0.021 0.000 1.383 118 H HN 0.209 nan 8.280 nan 0.000 0.508 119 V N 1.281 121.234 119.914 0.064 0.000 2.407 119 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 119 V C 2.786 178.904 176.094 0.040 0.000 1.055 119 V CA 1.661 63.981 62.300 0.034 0.000 1.049 119 V CB -0.467 31.396 31.823 0.068 0.000 0.662 119 V HN 0.347 nan 8.190 nan 0.000 0.455 120 I N -0.110 120.503 120.570 0.072 0.000 2.202 120 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 120 I C 2.583 178.751 176.117 0.085 0.000 1.091 120 I CA 1.489 62.872 61.300 0.140 0.000 1.368 120 I CB -0.444 37.586 38.000 0.050 0.000 1.058 120 I HN 0.225 nan 8.210 nan 0.000 0.410 121 S N 0.285 115.976 115.700 -0.014 0.000 2.368 121 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 121 S C 1.912 176.482 174.600 -0.051 0.000 1.030 121 S CA 1.177 59.350 58.200 -0.044 0.000 0.999 121 S CB -0.240 62.913 63.200 -0.079 0.000 0.844 121 S HN 0.396 nan 8.310 nan 0.000 0.459 122 E N 0.698 120.823 120.200 -0.126 0.000 2.204 122 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 122 E C 2.210 178.804 176.600 -0.009 0.000 0.989 122 E CA 0.876 57.209 56.400 -0.111 0.000 0.824 122 E CB -0.500 29.089 29.700 -0.186 0.000 0.756 122 E HN 0.569 nan 8.360 nan 0.000 0.477 123 G N 0.526 109.361 108.800 0.058 0.000 2.430 123 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 123 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 123 G C 1.692 176.701 174.900 0.183 0.000 1.146 123 G CA -0.021 45.145 45.100 0.110 0.000 0.793 123 G HN 0.141 nan 8.290 nan 0.000 0.537 124 L N -0.267 121.094 121.223 0.229 0.000 2.109 124 L HA 0.069 4.409 4.340 -0.000 0.000 0.207 124 L C 2.695 179.642 176.870 0.128 0.000 1.086 124 L CA 0.904 55.887 54.840 0.239 0.000 0.760 124 L CB -0.124 42.027 42.059 0.154 0.000 0.910 124 L HN 0.137 nan 8.230 nan 0.000 0.437 125 K N -0.308 120.133 120.400 0.068 0.000 2.418 125 K HA -0.101 4.219 4.320 -0.000 0.000 0.195 125 K C 1.829 178.443 176.600 0.023 0.000 1.035 125 K CA 0.484 56.791 56.287 0.033 0.000 1.003 125 K CB 0.223 32.727 32.500 0.006 0.000 0.793 125 K HN 0.138 nan 8.250 nan 0.000 0.494 126 K N -0.370 120.047 120.400 0.028 0.000 2.354 126 K HA 0.009 4.329 4.320 -0.000 0.000 0.194 126 K C 0.409 177.009 176.600 -0.001 0.000 1.045 126 K CA 0.627 56.918 56.287 0.008 0.000 1.026 126 K CB 0.761 33.261 32.500 0.000 0.000 0.866 126 K HN 0.209 nan 8.250 nan 0.000 0.530 127 G N 1.829 110.638 108.800 0.016 0.000 2.164 127 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.212 127 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.212 127 G C -0.235 174.630 174.900 -0.058 0.000 1.031 127 G CA -0.384 44.705 45.100 -0.018 0.000 0.730 127 G HN 0.111 nan 8.290 nan 0.000 0.501 128 I N 0.277 120.826 120.570 -0.034 0.000 2.441 128 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 128 I C 1.009 177.033 176.117 -0.156 0.000 1.049 128 I CA -0.078 61.136 61.300 -0.143 0.000 1.381 128 I CB 1.478 39.329 38.000 -0.248 0.000 1.409 128 I HN -0.020 nan 8.210 nan 0.000 0.523 129 K N 3.405 123.677 120.400 -0.212 0.000 2.373 129 K HA 0.177 4.497 4.320 -0.000 0.000 0.200 129 K C 0.015 176.637 176.600 0.038 0.000 1.054 129 K CA 0.265 56.422 56.287 -0.216 0.000 1.065 129 K CB 0.549 32.842 32.500 -0.345 0.000 0.886 129 K HN 0.498 nan 8.250 nan 0.000 0.546 130 T N 1.323 115.806 114.554 -0.117 0.000 2.786 130 T HA 0.515 4.865 4.350 -0.000 0.000 0.283 130 T C -0.744 173.788 174.700 -0.279 0.000 0.992 130 T CA -0.382 61.732 62.100 0.024 0.000 0.954 130 T CB 0.544 69.433 68.868 0.035 0.000 0.934 130 T HN -0.151 nan 8.240 nan 0.000 0.440 131 F N 2.310 122.386 119.950 0.211 0.000 2.460 131 F HA 0.558 5.085 4.527 -0.000 0.000 0.341 131 F C -0.160 175.707 175.800 0.112 0.000 1.130 131 F CA -0.982 57.098 58.000 0.132 0.000 0.962 131 F CB 1.580 40.646 39.000 0.111 0.000 1.171 131 F HN 0.216 nan 8.300 nan 0.000 0.436 132 V N 2.499 122.543 119.914 0.216 0.000 2.459 132 V HA 0.662 4.782 4.120 -0.000 0.000 0.295 132 V C 0.489 176.657 176.094 0.123 0.000 1.029 132 V CA -1.058 61.331 62.300 0.150 0.000 0.874 132 V CB 1.492 33.370 31.823 0.092 0.000 0.985 132 V HN 0.862 nan 8.190 nan 0.000 0.438 133 G N 2.488 111.348 108.800 0.100 0.000 2.483 133 G HA2 0.495 4.455 3.960 -0.000 0.000 0.248 133 G HA3 0.495 4.455 3.960 -0.000 0.000 0.248 133 G C 0.419 175.357 174.900 0.064 0.000 1.248 133 G CA 0.308 45.455 45.100 0.077 0.000 0.838 133 G HN 1.068 nan 8.290 nan 0.000 0.566 134 G N 0.086 108.918 108.800 0.054 0.000 2.557 134 G HA2 0.373 4.333 3.960 -0.000 0.000 0.292 134 G HA3 0.373 4.333 3.960 -0.000 0.000 0.292 134 G C 0.358 175.283 174.900 0.043 0.000 1.237 134 G CA -0.524 44.597 45.100 0.035 0.000 0.978 134 G HN 0.832 nan 8.290 nan 0.000 0.498 138 V N 2.594 122.551 119.914 0.072 0.000 2.358 138 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 138 V C 2.801 178.880 176.094 -0.024 0.000 1.047 138 V CA 2.549 64.852 62.300 0.004 0.000 1.035 138 V CB -0.818 30.980 31.823 -0.042 0.000 0.658 138 V HN 0.582 nan 8.190 nan 0.000 0.452 139 S N 0.003 115.708 115.700 0.008 0.000 2.368 139 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 139 S C 1.884 176.481 174.600 -0.005 0.000 1.029 139 S CA 1.305 59.504 58.200 -0.002 0.000 0.988 139 S CB -0.286 62.947 63.200 0.055 0.000 0.838 139 S HN 0.458 nan 8.310 nan 0.000 0.462 140 L N 0.928 122.185 121.223 0.056 0.000 2.217 140 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 140 L C 2.491 179.405 176.870 0.073 0.000 1.107 140 L CA 0.891 55.773 54.840 0.070 0.000 0.783 140 L CB -0.387 41.745 42.059 0.122 0.000 0.919 140 L HN 0.403 nan 8.230 nan 0.000 0.442 141 M N -0.146 119.512 119.600 0.097 0.000 2.123 141 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 141 M C 2.179 178.453 176.300 -0.045 0.000 1.069 141 M CA 1.769 57.140 55.300 0.118 0.000 1.133 141 M CB 0.022 32.672 32.600 0.084 0.000 1.356 141 M HN 0.155 nan 8.290 nan 0.000 0.415 142 L N 0.202 121.347 121.223 -0.130 0.000 2.141 142 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 142 L C 2.562 179.319 176.870 -0.189 0.000 1.094 142 L CA 0.729 55.436 54.840 -0.221 0.000 0.763 142 L CB -0.554 41.332 42.059 -0.288 0.000 0.908 142 L HN 0.412 nan 8.230 nan 0.000 0.437 143 M N -0.838 118.660 119.600 -0.170 0.000 2.319 143 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 143 M C 2.405 178.645 176.300 -0.099 0.000 1.068 143 M CA 1.562 56.735 55.300 -0.212 0.000 1.118 143 M CB -1.080 31.279 32.600 -0.402 0.000 1.395 143 M HN 0.290 nan 8.290 nan 0.000 0.435 144 A N 0.853 123.647 122.820 -0.043 0.000 1.843 144 A HA 0.014 4.334 4.320 -0.000 0.000 0.213 144 A C 1.624 179.211 177.584 0.005 0.000 1.202 144 A CA 0.902 52.954 52.037 0.026 0.000 0.607 144 A CB -0.464 18.605 19.000 0.116 0.000 0.847 144 A HN 0.558 nan 8.150 nan 0.000 0.445 145 I N -3.006 117.551 120.570 -0.022 0.000 3.731 145 I HA 0.458 4.628 4.170 -0.000 0.000 0.341 145 I C 1.179 177.262 176.117 -0.056 0.000 1.532 145 I CA 0.221 61.495 61.300 -0.044 0.000 1.163 145 I CB -0.086 37.871 38.000 -0.072 0.000 1.339 145 I HN 0.102 nan 8.210 nan 0.000 0.449 146 G N 1.687 110.327 108.800 -0.266 0.000 2.432 146 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 146 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 146 G C 1.443 176.032 174.900 -0.518 0.000 1.135 146 G CA 0.868 45.608 45.100 -0.599 0.000 0.767 146 G HN 0.570 nan 8.290 nan 0.000 0.550 147 G N 0.954 109.542 108.800 -0.353 0.000 2.450 147 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.220 147 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.220 147 G C 1.713 176.579 174.900 -0.057 0.000 1.130 147 G CA 0.632 45.696 45.100 -0.061 0.000 0.760 147 G HN 0.440 nan 8.290 nan 0.000 0.557 148 L N -1.058 120.096 121.223 -0.115 0.000 2.291 148 L HA 0.130 4.470 4.340 -0.000 0.000 0.214 148 L C 2.366 179.063 176.870 -0.289 0.000 1.120 148 L CA 0.446 55.154 54.840 -0.221 0.000 0.799 148 L CB -0.254 41.608 42.059 -0.330 0.000 0.925 148 L HN 0.160 nan 8.230 nan 0.000 0.446 149 F N -0.148 119.710 119.950 -0.154 0.000 2.530 149 F HA -0.052 4.474 4.527 0.000 0.000 0.292 149 F C 2.518 178.268 175.800 -0.082 0.000 1.109 149 F CA 0.504 58.429 58.000 -0.126 0.000 1.450 149 F CB 0.127 39.039 39.000 -0.146 0.000 1.114 149 F HN -0.004 nan 8.300 nan 0.000 0.560 150 E N 0.811 121.077 120.200 0.110 0.000 2.046 150 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 150 E C 1.704 178.324 176.600 0.034 0.000 0.982 150 E CA 1.184 57.637 56.400 0.088 0.000 0.800 150 E CB 0.050 29.834 29.700 0.140 0.000 0.756 150 E HN -0.078 nan 8.360 nan 0.000 0.449 151 K N 0.868 121.269 120.400 0.001 0.000 2.487 151 K HA -0.044 4.276 4.320 -0.000 0.000 0.192 151 K C -0.071 176.498 176.600 -0.050 0.000 1.027 151 K CA 0.607 56.878 56.287 -0.027 0.000 1.054 151 K CB 0.037 32.514 32.500 -0.039 0.000 0.824 151 K HN 0.264 nan 8.250 nan 0.000 0.510 152 D N 0.743 121.113 120.400 -0.051 0.000 2.708 152 D HA -0.179 4.461 4.640 -0.000 0.000 0.236 152 D C 0.187 176.413 176.300 -0.124 0.000 1.146 152 D CA 0.173 54.132 54.000 -0.069 0.000 0.662 152 D CB -0.399 40.379 40.800 -0.037 0.000 1.059 152 D HN 0.063 nan 8.370 nan 0.000 0.428 153 L N -0.102 121.011 121.223 -0.183 0.000 2.529 153 L HA 0.125 4.465 4.340 -0.000 0.000 0.223 153 L C 0.838 177.523 176.870 -0.307 0.000 1.113 153 L CA 0.654 55.364 54.840 -0.217 0.000 0.861 153 L CB 0.339 42.275 42.059 -0.206 0.000 1.012 153 L HN -0.002 nan 8.230 nan 0.000 0.461 154 V N -0.127 119.541 119.914 -0.411 0.000 2.461 154 V HA 0.093 4.213 4.120 -0.000 0.000 0.275 154 V C 1.290 177.199 176.094 -0.309 0.000 1.047 154 V CA -0.172 61.828 62.300 -0.499 0.000 0.955 154 V CB 1.547 32.812 31.823 -0.930 0.000 0.988 154 V HN 0.283 nan 8.190 nan 0.000 0.471 155 E N 5.048 125.060 120.200 -0.313 0.000 2.110 155 E HA 0.105 4.455 4.350 -0.000 0.000 0.193 155 E C -0.040 176.567 176.600 0.012 0.000 0.950 155 E CA 0.404 56.708 56.400 -0.161 0.000 0.840 155 E CB 0.616 30.178 29.700 -0.231 0.000 0.809 155 E HN 0.776 nan 8.360 nan 0.000 0.465 156 W N -0.417 120.823 121.300 -0.100 0.000 3.146 156 W HA 0.559 5.219 4.660 -0.000 0.000 0.319 156 W C -1.715 174.774 176.519 -0.049 0.000 1.258 156 W CA -0.843 56.481 57.345 -0.036 0.000 1.189 156 W CB 0.392 29.853 29.460 0.002 0.000 1.412 156 W HN -0.258 nan 8.180 nan 0.000 0.567 157 I N 2.405 123.222 120.570 0.412 0.000 2.499 157 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 157 I C -0.346 176.035 176.117 0.440 0.000 1.048 157 I CA -0.563 60.917 61.300 0.300 0.000 1.062 157 I CB 2.310 40.358 38.000 0.081 0.000 1.238 157 I HN 0.374 nan 8.210 nan 0.000 0.426 158 S N 5.331 121.330 115.700 0.499 0.000 2.442 158 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 158 S C -0.624 174.193 174.600 0.361 0.000 1.131 158 S CA -0.468 57.963 58.200 0.386 0.000 1.092 158 S CB 0.873 64.314 63.200 0.403 0.000 0.998 158 S HN 0.312 nan 8.310 nan 0.000 0.478 159 V N 3.286 123.376 119.914 0.294 0.000 2.715 159 V HA 0.900 5.020 4.120 -0.000 0.000 0.310 159 V C -0.000 176.193 176.094 0.166 0.000 1.054 159 V CA -0.925 61.561 62.300 0.310 0.000 0.928 159 V CB 1.545 33.568 31.823 0.333 0.000 1.007 159 V HN 0.989 nan 8.190 nan 0.000 0.437 160 A N 2.228 125.122 122.820 0.123 0.000 2.375 160 A HA 0.760 5.080 4.320 -0.000 0.000 0.291 160 A C -0.043 177.543 177.584 0.003 0.000 1.160 160 A CA -0.322 51.738 52.037 0.038 0.000 0.747 160 A CB 1.270 20.313 19.000 0.072 0.000 1.170 160 A HN 1.003 nan 8.150 nan 0.000 0.458 161 T N -0.715 113.785 114.554 -0.089 0.000 2.928 161 T HA 0.665 5.015 4.350 -0.000 0.000 0.284 161 T C -0.877 173.672 174.700 -0.251 0.000 1.008 161 T CA -0.279 61.777 62.100 -0.073 0.000 1.057 161 T CB 0.679 69.503 68.868 -0.073 0.000 1.018 161 T HN 0.403 nan 8.240 nan 0.000 0.493 162 Y N 1.036 121.297 120.300 -0.064 0.000 2.787 162 Y HA 0.383 4.933 4.550 -0.000 0.000 0.352 162 Y C 0.502 176.374 175.900 -0.048 0.000 1.027 162 Y CA -0.970 57.124 58.100 -0.011 0.000 1.219 162 Y CB 0.712 39.218 38.460 0.075 0.000 1.110 162 Y HN 0.640 nan 8.280 nan 0.000 0.614 163 Q N 1.746 121.511 119.800 -0.057 0.000 2.261 163 Q HA 0.694 5.034 4.340 -0.000 0.000 0.252 163 Q C -0.005 176.039 176.000 0.073 0.000 0.915 163 Q CA -0.689 54.995 55.803 -0.200 0.000 0.915 163 Q CB 1.668 30.132 28.738 -0.458 0.000 1.204 163 Q HN 0.725 nan 8.270 nan 0.000 0.421 164 A N 1.551 124.570 122.820 0.331 0.000 2.332 164 A HA 0.461 4.781 4.320 -0.000 0.000 0.258 164 A C 0.931 178.693 177.584 0.297 0.000 1.087 164 A CA 0.273 52.491 52.037 0.302 0.000 0.802 164 A CB 0.431 19.609 19.000 0.297 0.000 1.042 164 A HN 0.933 nan 8.150 nan 0.000 0.489 165 A N 0.687 123.659 122.820 0.253 0.000 2.070 165 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 165 A C 2.260 179.997 177.584 0.255 0.000 1.159 165 A CA 2.081 54.327 52.037 0.347 0.000 0.656 165 A CB -0.965 18.262 19.000 0.378 0.000 0.800 165 A HN 1.601 nan 8.150 nan 0.000 0.453 166 S N -0.549 115.262 115.700 0.186 0.000 2.423 166 S HA 0.007 4.477 4.470 -0.000 0.000 0.231 166 S C 1.928 176.596 174.600 0.114 0.000 1.014 166 S CA 1.135 59.402 58.200 0.112 0.000 0.965 166 S CB -0.956 62.277 63.200 0.055 0.000 0.785 166 S HN 0.627 nan 8.310 nan 0.000 0.495 167 G N 0.952 109.868 108.800 0.194 0.000 2.471 167 G HA2 0.181 4.141 3.960 -0.000 0.000 0.219 167 G HA3 0.181 4.141 3.960 -0.000 0.000 0.219 167 G C 1.412 176.404 174.900 0.153 0.000 1.125 167 G CA 0.576 45.798 45.100 0.204 0.000 0.775 167 G HN 0.778 nan 8.290 nan 0.000 0.548 168 A N -0.817 122.091 122.820 0.147 0.000 2.147 168 A HA 0.591 4.910 4.320 -0.000 0.000 0.211 168 A C 1.286 178.876 177.584 0.009 0.000 1.160 168 A CA 1.371 53.455 52.037 0.078 0.000 0.781 168 A CB -0.041 19.004 19.000 0.076 0.000 0.842 168 A HN 1.665 nan 8.150 nan 0.000 0.475 169 G N -3.022 105.792 108.800 0.023 0.000 2.355 169 G HA2 0.397 4.357 3.960 -0.000 0.000 0.619 169 G HA3 0.397 4.357 3.960 -0.000 0.000 0.619 169 G C 0.652 175.545 174.900 -0.012 0.000 1.337 169 G CA -0.091 45.006 45.100 -0.005 0.000 0.993 169 G HN 1.089 nan 8.290 nan 0.000 0.599 170 A N -0.021 122.788 122.820 -0.018 0.000 1.883 170 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 170 A C 2.207 179.774 177.584 -0.029 0.000 1.186 170 A CA 2.377 54.404 52.037 -0.017 0.000 0.624 170 A CB -0.473 18.514 19.000 -0.022 0.000 0.822 170 A HN 0.709 nan 8.150 nan 0.000 0.444 171 K N -0.533 119.833 120.400 -0.056 0.000 2.211 171 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 171 K C 1.680 178.219 176.600 -0.101 0.000 1.050 171 K CA 1.506 57.750 56.287 -0.072 0.000 0.945 171 K CB -0.271 32.178 32.500 -0.085 0.000 0.732 171 K HN 0.520 nan 8.250 nan 0.000 0.451 172 N N 0.751 119.357 118.700 -0.156 0.000 2.188 172 N HA -0.070 4.670 4.740 -0.000 0.000 0.184 172 N C 1.679 177.231 175.510 0.070 0.000 1.018 172 N CA 1.211 54.101 53.050 -0.266 0.000 0.858 172 N CB -0.011 38.211 38.487 -0.441 0.000 0.989 172 N HN 0.107 nan 8.380 nan 0.000 0.426 173 M N 0.042 119.690 119.600 0.080 0.000 2.175 173 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 173 M C 1.854 178.206 176.300 0.087 0.000 1.063 173 M CA 1.338 56.708 55.300 0.117 0.000 1.119 173 M CB -0.104 32.540 32.600 0.074 0.000 1.377 173 M HN 0.086 nan 8.290 nan 0.000 0.415 174 R N -0.020 120.505 120.500 0.042 0.000 2.092 174 R HA -0.146 4.194 4.340 -0.000 0.000 0.231 174 R C 2.111 178.426 176.300 0.025 0.000 1.119 174 R CA 1.415 57.528 56.100 0.021 0.000 0.970 174 R CB -0.341 29.957 30.300 -0.004 0.000 0.864 174 R HN 0.462 nan 8.270 nan 0.000 0.440 175 E N 0.930 121.154 120.200 0.040 0.000 2.072 175 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 175 E C 1.907 178.560 176.600 0.087 0.000 0.985 175 E CA 0.850 57.278 56.400 0.047 0.000 0.801 175 E CB 0.014 29.756 29.700 0.069 0.000 0.750 175 E HN 0.129 nan 8.360 nan 0.000 0.452 176 L N 0.868 122.207 121.223 0.193 0.000 2.012 176 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 176 L C 2.076 178.983 176.870 0.062 0.000 1.073 176 L CA 1.677 56.600 54.840 0.138 0.000 0.748 176 L CB -0.506 41.654 42.059 0.167 0.000 0.891 176 L HN 0.237 nan 8.230 nan 0.000 0.431 177 L N -1.023 120.234 121.223 0.057 0.000 2.046 177 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 177 L C 2.487 179.365 176.870 0.014 0.000 1.077 177 L CA 1.427 56.288 54.840 0.036 0.000 0.747 177 L CB -0.697 41.382 42.059 0.034 0.000 0.896 177 L HN 0.246 nan 8.230 nan 0.000 0.432 178 S N -0.789 114.904 115.700 -0.011 0.000 2.382 178 S HA -0.220 4.250 4.470 -0.000 0.000 0.228 178 S C 1.937 176.483 174.600 -0.090 0.000 1.027 178 S CA 1.145 59.317 58.200 -0.047 0.000 0.991 178 S CB -0.193 62.964 63.200 -0.072 0.000 0.823 178 S HN 0.438 nan 8.310 nan 0.000 0.469 179 Q N 0.379 120.097 119.800 -0.137 0.000 2.079 179 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 179 Q C 2.234 178.289 176.000 0.092 0.000 0.974 179 Q CA 1.146 56.828 55.803 -0.202 0.000 0.840 179 Q CB -0.237 28.398 28.738 -0.173 0.000 0.898 179 Q HN 0.530 nan 8.270 nan 0.000 0.430 180 M N -0.408 119.236 119.600 0.074 0.000 2.117 180 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 180 M C 2.179 178.532 176.300 0.089 0.000 1.065 180 M CA 1.560 56.915 55.300 0.092 0.000 1.114 180 M CB -0.478 32.159 32.600 0.062 0.000 1.361 180 M HN 0.348 nan 8.290 nan 0.000 0.408 181 G N 0.420 109.258 108.800 0.064 0.000 2.433 181 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 181 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 181 G C 1.431 176.381 174.900 0.083 0.000 1.186 181 G CA 0.569 45.704 45.100 0.058 0.000 0.779 181 G HN 0.359 nan 8.290 nan 0.000 0.543 182 L N 0.081 121.373 121.223 0.115 0.000 2.191 182 L HA 0.037 4.377 4.340 -0.000 0.000 0.212 182 L C 2.809 179.799 176.870 0.200 0.000 1.103 182 L CA 0.251 55.196 54.840 0.174 0.000 0.769 182 L CB -0.280 41.927 42.059 0.247 0.000 0.908 182 L HN 0.192 nan 8.230 nan 0.000 0.438 183 L N -0.647 120.705 121.223 0.215 0.000 2.109 183 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 183 L C 2.741 179.655 176.870 0.074 0.000 1.086 183 L CA 1.030 55.952 54.840 0.135 0.000 0.760 183 L CB -0.433 41.709 42.059 0.139 0.000 0.910 183 L HN 0.324 nan 8.230 nan 0.000 0.437 184 E N 0.444 120.686 120.200 0.071 0.000 2.076 184 E HA -0.198 4.152 4.350 -0.000 0.000 0.190 184 E C 2.023 178.648 176.600 0.042 0.000 0.979 184 E CA 0.995 57.424 56.400 0.047 0.000 0.807 184 E CB 0.063 29.788 29.700 0.043 0.000 0.761 184 E HN 0.496 nan 8.360 nan 0.000 0.454 185 Q N 0.028 119.859 119.800 0.050 0.000 2.248 185 Q HA -0.142 4.198 4.340 -0.000 0.000 0.208 185 Q C 2.028 178.052 176.000 0.038 0.000 0.984 185 Q CA 1.523 57.352 55.803 0.043 0.000 0.875 185 Q CB -0.193 28.574 28.738 0.050 0.000 0.910 185 Q HN 0.303 nan 8.270 nan 0.000 0.433 186 A N 0.358 123.204 122.820 0.043 0.000 2.067 186 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 186 A C 1.656 179.251 177.584 0.017 0.000 1.158 186 A CA 1.359 53.413 52.037 0.029 0.000 0.661 186 A CB 0.103 19.117 19.000 0.024 0.000 0.801 186 A HN 0.293 nan 8.150 nan 0.000 0.452 187 V N -4.342 115.583 119.914 0.018 0.000 2.925 187 V HA 0.328 4.448 4.120 -0.000 0.000 0.361 187 V C 1.179 177.282 176.094 0.014 0.000 1.361 187 V CA 0.475 62.783 62.300 0.012 0.000 1.184 187 V CB -0.605 31.222 31.823 0.008 0.000 1.245 187 V HN 0.213 nan 8.190 nan 0.000 0.575 188 S N 2.727 118.438 115.700 0.017 0.000 2.359 188 S HA -0.201 4.269 4.470 -0.000 0.000 0.224 188 S C 2.190 176.798 174.600 0.013 0.000 1.035 188 S CA 2.731 60.941 58.200 0.017 0.000 1.018 188 S CB -0.161 63.050 63.200 0.019 0.000 0.876 188 S HN 1.086 nan 8.310 nan 0.000 0.448 189 S N 0.139 115.846 115.700 0.011 0.000 2.461 189 S HA 0.090 4.560 4.470 -0.000 0.000 0.228 189 S C 1.513 176.117 174.600 0.008 0.000 1.005 189 S CA 0.720 58.926 58.200 0.009 0.000 0.942 189 S CB -0.384 62.821 63.200 0.008 0.000 0.776 189 S HN 0.502 nan 8.310 nan 0.000 0.514 190 E N 1.702 121.907 120.200 0.007 0.000 2.152 190 E HA 0.161 4.511 4.350 -0.000 0.000 0.192 190 E C 1.858 178.462 176.600 0.006 0.000 0.983 190 E CA 0.719 57.123 56.400 0.006 0.000 0.818 190 E CB -0.403 29.299 29.700 0.004 0.000 0.758 190 E HN 0.474 nan 8.360 nan 0.000 0.467 191 L N 0.528 121.756 121.223 0.008 0.000 2.217 191 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 191 L C 2.017 178.891 176.870 0.008 0.000 1.107 191 L CA 0.978 55.823 54.840 0.008 0.000 0.783 191 L CB -0.187 41.879 42.059 0.011 0.000 0.919 191 L HN 0.050 nan 8.230 nan 0.000 0.442 192 K N -0.444 119.961 120.400 0.008 0.000 2.217 192 K HA -0.111 4.209 4.320 -0.000 0.000 0.202 192 K C 0.409 177.013 176.600 0.006 0.000 1.051 192 K CA 0.466 56.757 56.287 0.007 0.000 0.952 192 K CB -0.084 32.420 32.500 0.008 0.000 0.736 192 K HN 0.101 nan 8.250 nan 0.000 0.453 193 D N 1.383 121.787 120.400 0.005 0.000 2.393 193 D HA 0.039 4.679 4.640 -0.000 0.000 0.232 193 D C -1.609 174.694 176.300 0.004 0.000 1.192 193 D CA -2.458 51.545 54.000 0.004 0.000 0.882 193 D CB 1.252 42.055 40.800 0.004 0.000 1.038 193 D HN -0.067 nan 8.370 nan 0.000 0.499 194 P HA -0.086 nan 4.420 nan 0.000 0.228 194 P C 0.600 177.901 177.300 0.002 0.000 1.151 194 P CA 0.499 63.600 63.100 0.003 0.000 0.770 194 P CB 0.329 32.031 31.700 0.003 0.000 0.786 195 A N -0.114 122.707 122.820 0.002 0.000 2.303 195 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 195 A C 1.212 178.797 177.584 0.001 0.000 1.205 195 A CA 0.069 52.107 52.037 0.002 0.000 0.875 195 A CB -0.575 18.426 19.000 0.002 0.000 0.910 195 A HN 0.333 nan 8.150 nan 0.000 0.501 196 S N -0.002 115.699 115.700 0.002 0.000 2.579 196 S HA 0.329 4.799 4.470 -0.000 0.000 0.275 196 S C 0.446 175.046 174.600 0.001 0.000 1.345 196 S CA 0.223 58.424 58.200 0.001 0.000 1.031 196 S CB 0.822 64.023 63.200 0.002 0.000 0.892 196 S HN 0.456 nan 8.310 nan 0.000 0.529 197 S N 0.967 116.667 115.700 -0.000 0.000 2.510 197 S HA 0.129 4.599 4.470 -0.000 0.000 0.279 197 S C 0.904 175.503 174.600 -0.002 0.000 1.284 197 S CA -0.752 57.448 58.200 -0.001 0.000 1.059 197 S CB -0.217 62.982 63.200 -0.002 0.000 0.901 197 S HN 0.708 nan 8.310 nan 0.000 0.491 198 I N 5.771 126.340 120.570 -0.002 0.000 2.353 198 I HA 0.014 4.184 4.170 -0.000 0.000 0.248 198 I C 1.622 177.737 176.117 -0.004 0.000 1.119 198 I CA 1.254 62.553 61.300 -0.002 0.000 1.417 198 I CB -0.324 37.675 38.000 -0.002 0.000 1.078 198 I HN 0.704 nan 8.210 nan 0.000 0.421 199 L N 0.384 121.604 121.223 -0.005 0.000 2.093 199 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 199 L C 2.125 178.990 176.870 -0.008 0.000 1.085 199 L CA 2.012 56.848 54.840 -0.007 0.000 0.755 199 L CB -1.069 40.987 42.059 -0.006 0.000 0.904 199 L HN 0.356 nan 8.230 nan 0.000 0.435 200 D N -0.689 119.707 120.400 -0.007 0.000 2.117 200 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 200 D C 2.267 178.562 176.300 -0.008 0.000 0.982 200 D CA 1.208 55.204 54.000 -0.007 0.000 0.828 200 D CB 0.004 40.801 40.800 -0.005 0.000 0.967 200 D HN 0.322 nan 8.370 nan 0.000 0.464 201 I N 0.390 120.956 120.570 -0.006 0.000 2.127 201 I HA -0.276 3.893 4.170 -0.000 0.000 0.241 201 I C 2.341 178.451 176.117 -0.011 0.000 1.075 201 I CA 1.738 63.035 61.300 -0.006 0.000 1.334 201 I CB -0.460 37.538 38.000 -0.002 0.000 1.040 201 I HN 0.188 nan 8.210 nan 0.000 0.405 202 E N 1.214 121.407 120.200 -0.012 0.000 2.110 202 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 202 E C 2.152 178.736 176.600 -0.026 0.000 0.988 202 E CA 1.165 57.554 56.400 -0.018 0.000 0.804 202 E CB -0.466 29.225 29.700 -0.015 0.000 0.745 202 E HN 0.304 nan 8.360 nan 0.000 0.458 203 R N 0.605 121.091 120.500 -0.023 0.000 2.091 203 R HA -0.053 4.287 4.340 -0.000 0.000 0.238 203 R C 2.266 178.546 176.300 -0.034 0.000 1.136 203 R CA 1.909 57.993 56.100 -0.027 0.000 0.959 203 R CB -0.161 30.127 30.300 -0.020 0.000 0.856 203 R HN 0.212 nan 8.270 nan 0.000 0.437 204 K N -0.212 120.171 120.400 -0.028 0.000 2.062 204 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 204 K C 2.020 178.593 176.600 -0.045 0.000 1.051 204 K CA 1.080 57.349 56.287 -0.030 0.000 0.941 204 K CB 0.051 32.541 32.500 -0.016 0.000 0.719 204 K HN -0.005 nan 8.250 nan 0.000 0.440 205 V N 1.291 121.178 119.914 -0.045 0.000 2.358 205 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 205 V C 2.040 178.062 176.094 -0.119 0.000 1.047 205 V CA 2.035 64.297 62.300 -0.063 0.000 1.035 205 V CB -0.574 31.227 31.823 -0.037 0.000 0.658 205 V HN 0.377 nan 8.190 nan 0.000 0.452 206 T N 0.370 114.865 114.554 -0.098 0.000 2.867 206 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 206 T C 2.055 176.671 174.700 -0.139 0.000 1.057 206 T CA 1.366 63.395 62.100 -0.117 0.000 1.136 206 T CB -0.333 68.490 68.868 -0.075 0.000 0.874 206 T HN 0.551 nan 8.240 nan 0.000 0.466 207 A N 1.574 124.330 122.820 -0.107 0.000 1.930 207 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 207 A C 2.216 179.721 177.584 -0.131 0.000 1.175 207 A CA 1.745 53.726 52.037 -0.094 0.000 0.627 207 A CB -0.410 18.556 19.000 -0.057 0.000 0.815 207 A HN 0.337 nan 8.150 nan 0.000 0.443 208 K N -0.514 119.787 120.400 -0.165 0.000 2.155 208 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 208 K C 1.937 178.204 176.600 -0.554 0.000 1.052 208 K CA 1.472 57.638 56.287 -0.203 0.000 0.948 208 K CB -0.358 32.077 32.500 -0.108 0.000 0.728 208 K HN 0.478 nan 8.250 nan 0.000 0.448 209 M N -0.255 118.912 119.600 -0.722 0.000 2.229 209 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 209 M C 1.481 177.393 176.300 -0.646 0.000 1.063 209 M CA 1.548 56.141 55.300 -1.178 0.000 1.114 209 M CB 0.121 32.359 32.600 -0.603 0.000 1.387 209 M HN 0.030 nan 8.290 nan 0.000 0.420 210 R N 0.146 120.450 120.500 -0.325 0.000 2.246 210 R HA 0.250 4.590 4.340 -0.000 0.000 0.199 210 R C 0.777 177.036 176.300 -0.069 0.000 0.984 210 R CA 0.168 56.181 56.100 -0.144 0.000 1.015 210 R CB -0.043 30.196 30.300 -0.101 0.000 0.930 210 R HN 0.325 nan 8.270 nan 0.000 0.475 211 A N 1.341 124.118 122.820 -0.072 0.000 2.492 211 A HA -0.053 4.267 4.320 -0.000 0.000 0.236 211 A C 0.387 178.018 177.584 0.078 0.000 1.078 211 A CA -0.088 51.956 52.037 0.011 0.000 0.773 211 A CB 0.276 19.290 19.000 0.025 0.000 1.023 211 A HN 0.089 nan 8.150 nan 0.000 0.504 212 D N 0.509 120.949 120.400 0.066 0.000 2.178 212 D HA -0.142 4.498 4.640 -0.000 0.000 0.202 212 D C 1.380 177.737 176.300 0.095 0.000 0.974 212 D CA 1.721 55.764 54.000 0.072 0.000 0.841 212 D CB -0.139 40.688 40.800 0.045 0.000 0.953 212 D HN 0.757 nan 8.370 nan 0.000 0.478 213 N N 0.286 119.049 118.700 0.104 0.000 2.467 213 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 213 N C 0.207 175.806 175.510 0.148 0.000 1.106 213 N CA -0.218 52.893 53.050 0.102 0.000 0.892 213 N CB -0.780 37.754 38.487 0.078 0.000 0.969 213 N HN 0.019 nan 8.380 nan 0.000 0.454 214 F N 4.226 124.188 119.950 0.020 0.000 2.502 214 F HA 0.252 4.779 4.527 0.000 0.000 0.371 214 F C -1.823 173.998 175.800 0.035 0.000 1.083 214 F CA -2.669 55.347 58.000 0.027 0.000 1.174 214 F CB 0.402 39.417 39.000 0.025 0.000 1.096 214 F HN -0.021 nan 8.300 nan 0.000 0.545 215 P HA 0.029 nan 4.420 nan 0.000 0.263 215 P C -0.122 177.088 177.300 -0.149 0.000 1.247 215 P CA 0.120 63.109 63.100 -0.185 0.000 0.876 215 P CB 0.171 31.749 31.700 -0.203 0.000 0.928 216 T N -1.863 112.692 114.554 0.003 0.000 3.231 216 T HA 0.101 4.451 4.350 -0.000 0.000 0.292 216 T C 0.835 175.583 174.700 0.080 0.000 1.001 216 T CA -0.268 61.888 62.100 0.092 0.000 0.920 216 T CB -0.262 68.700 68.868 0.158 0.000 1.140 216 T HN 0.093 nan 8.240 nan 0.000 0.525 217 D N 2.543 122.958 120.400 0.024 0.000 2.104 217 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 217 D C 1.663 177.945 176.300 -0.030 0.000 0.994 217 D CA 1.115 55.115 54.000 -0.001 0.000 0.830 217 D CB 0.028 40.816 40.800 -0.020 0.000 0.959 217 D HN 0.462 nan 8.370 nan 0.000 0.452 218 N N -0.342 118.307 118.700 -0.086 0.000 2.376 218 N HA -0.027 4.713 4.740 -0.000 0.000 0.177 218 N C 1.649 176.981 175.510 -0.297 0.000 1.024 218 N CA 0.447 53.363 53.050 -0.224 0.000 0.893 218 N CB -0.040 38.233 38.487 -0.356 0.000 0.980 218 N HN 0.222 nan 8.380 nan 0.000 0.439 219 F N 0.031 119.995 119.950 0.023 0.000 2.582 219 F HA 0.222 4.749 4.527 -0.000 0.000 0.290 219 F C 1.857 177.680 175.800 0.038 0.000 1.115 219 F CA 0.363 58.387 58.000 0.039 0.000 1.445 219 F CB 0.331 39.358 39.000 0.044 0.000 1.126 219 F HN 0.057 nan 8.300 nan 0.000 0.574 220 G N 0.826 109.741 108.800 0.192 0.000 2.179 220 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.260 220 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.260 220 G C 0.018 174.989 174.900 0.118 0.000 0.977 220 G CA 0.035 45.205 45.100 0.116 0.000 0.641 220 G HN 0.855 nan 8.290 nan 0.000 0.533 221 A N -1.543 121.379 122.820 0.169 0.000 2.566 221 A HA 0.989 5.309 4.320 -0.000 0.000 0.290 221 A C 0.017 177.702 177.584 0.167 0.000 1.071 221 A CA 0.257 52.375 52.037 0.135 0.000 0.658 221 A CB 0.148 19.201 19.000 0.089 0.000 1.285 221 A HN 2.103 nan 8.150 nan 0.000 0.427 222 A N -0.295 122.624 122.820 0.166 0.000 2.425 222 A HA 0.531 4.851 4.320 -0.000 0.000 0.249 222 A C 0.590 178.205 177.584 0.050 0.000 1.084 222 A CA 0.496 52.669 52.037 0.227 0.000 0.781 222 A CB 0.279 19.440 19.000 0.268 0.000 1.019 222 A HN 1.907 nan 8.150 nan 0.000 0.490 223 L N 2.749 123.955 121.223 -0.028 0.000 2.586 223 L HA 0.377 4.717 4.340 -0.000 0.000 0.204 223 L C 1.512 178.340 176.870 -0.069 0.000 1.053 223 L CA 1.361 56.069 54.840 -0.219 0.000 0.856 223 L CB -0.497 41.160 42.059 -0.671 0.000 1.192 223 L HN 0.758 nan 8.230 nan 0.000 0.484 224 G N -0.536 108.280 108.800 0.027 0.000 2.340 224 G HA2 0.358 4.318 3.960 -0.000 0.000 0.245 224 G HA3 0.358 4.318 3.960 -0.000 0.000 0.245 224 G C 0.963 175.925 174.900 0.104 0.000 1.294 224 G CA 0.231 45.381 45.100 0.083 0.000 0.896 224 G HN 0.975 nan 8.290 nan 0.000 0.522 225 G N 0.392 109.229 108.800 0.060 0.000 2.166 225 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.260 225 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.260 225 G C 0.568 175.479 174.900 0.019 0.000 0.986 225 G CA 1.163 46.287 45.100 0.039 0.000 0.683 225 G HN 1.493 nan 8.290 nan 0.000 0.527 226 S N -1.859 113.849 115.700 0.013 0.000 2.929 226 S HA 0.902 5.372 4.470 -0.000 0.000 0.311 226 S C -1.479 173.107 174.600 -0.022 0.000 1.213 226 S CA 0.205 58.404 58.200 -0.002 0.000 0.908 226 S CB 1.029 64.231 63.200 0.003 0.000 1.287 226 S HN 1.717 nan 8.310 nan 0.000 0.594 227 L N -0.380 120.825 121.223 -0.031 0.000 2.622 227 L HA 0.754 5.094 4.340 -0.000 0.000 0.258 227 L C -1.631 175.218 176.870 -0.035 0.000 0.996 227 L CA -0.627 54.184 54.840 -0.048 0.000 0.858 227 L CB 1.109 43.146 42.059 -0.036 0.000 1.449 227 L HN 0.579 nan 8.230 nan 0.000 0.411 228 I N 1.876 122.425 120.570 -0.035 0.000 2.448 228 I HA 0.414 4.584 4.170 -0.000 0.000 0.281 228 I C -2.061 174.095 176.117 0.064 0.000 1.027 228 I CA -1.185 60.132 61.300 0.028 0.000 1.111 228 I CB 2.469 40.496 38.000 0.045 0.000 1.236 228 I HN 0.552 nan 8.210 nan 0.000 0.452 229 P HA 0.028 nan 4.420 nan 0.000 0.235 229 P C -0.875 176.551 177.300 0.210 0.000 1.725 229 P CA 0.225 63.383 63.100 0.096 0.000 0.894 229 P CB -0.178 31.568 31.700 0.076 0.000 1.704 230 W N 1.550 122.853 121.300 0.006 0.000 3.423 230 W HA 0.388 5.048 4.660 -0.000 0.000 0.330 230 W C -2.263 174.284 176.519 0.045 0.000 1.102 230 W CA -0.608 56.752 57.345 0.025 0.000 1.261 230 W CB 1.219 30.697 29.460 0.029 0.000 1.283 230 W HN -0.245 nan 8.180 nan 0.000 0.447 231 I N 6.905 127.469 120.570 -0.010 0.000 2.447 231 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 231 I C 0.132 176.254 176.117 0.008 0.000 1.023 231 I CA -0.247 61.098 61.300 0.075 0.000 1.083 231 I CB 1.678 39.700 38.000 0.036 0.000 1.245 231 I HN 0.325 nan 8.210 nan 0.000 0.434 232 D N 3.911 124.402 120.400 0.152 0.000 10.640 232 D HA -0.155 4.485 4.640 -0.000 0.000 0.360 232 D C -0.447 175.977 176.300 0.207 0.000 3.073 232 D CA 0.472 54.557 54.000 0.143 0.000 2.519 232 D CB 0.455 41.303 40.800 0.080 0.000 1.179 232 D HN 0.388 nan 8.370 nan 0.000 0.978 233 K N 0.427 120.940 120.400 0.188 0.000 2.440 233 K HA 0.271 4.591 4.320 -0.000 0.000 0.270 233 K C 0.283 176.981 176.600 0.163 0.000 0.980 233 K CA -0.209 56.210 56.287 0.220 0.000 0.953 233 K CB 0.270 32.843 32.500 0.122 0.000 0.925 233 K HN 0.331 nan 8.250 nan 0.000 0.497 234 L N 3.521 124.910 121.223 0.276 0.000 2.426 234 L HA 0.143 4.483 4.340 -0.000 0.000 0.271 234 L C -0.711 176.185 176.870 0.044 0.000 1.169 234 L CA -0.165 54.794 54.840 0.198 0.000 0.836 234 L CB 0.331 42.605 42.059 0.359 0.000 1.112 234 L HN 0.510 nan 8.230 nan 0.000 0.465 235 L N 7.013 128.216 121.223 -0.034 0.000 2.356 235 L HA 0.262 4.602 4.340 -0.000 0.000 0.264 235 L C -1.654 175.177 176.870 -0.064 0.000 1.029 235 L CA -1.566 53.213 54.840 -0.102 0.000 0.897 235 L CB 1.211 43.142 42.059 -0.214 0.000 1.256 235 L HN 0.469 nan 8.230 nan 0.000 0.444 236 P HA -0.234 nan 4.420 nan 0.000 0.219 236 P C 1.346 178.629 177.300 -0.029 0.000 1.144 236 P CA 1.103 64.196 63.100 -0.012 0.000 0.806 236 P CB 0.360 32.055 31.700 -0.007 0.000 0.771 237 E N -0.571 119.595 120.200 -0.057 0.000 2.038 237 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 237 E C 1.304 177.879 176.600 -0.042 0.000 1.000 237 E CA 2.251 58.617 56.400 -0.056 0.000 0.803 237 E CB -0.146 29.503 29.700 -0.086 0.000 0.750 237 E HN 0.307 nan 8.360 nan 0.000 0.448 238 T N -4.450 110.076 114.554 -0.047 0.000 2.985 238 T HA 0.371 4.721 4.350 -0.000 0.000 0.254 238 T C 1.332 176.014 174.700 -0.029 0.000 1.021 238 T CA 0.555 62.636 62.100 -0.033 0.000 0.957 238 T CB 1.105 69.964 68.868 -0.015 0.000 1.047 238 T HN 0.356 nan 8.240 nan 0.000 0.511 239 G N 1.280 110.063 108.800 -0.029 0.000 2.217 239 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.246 239 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.246 239 G C 0.032 174.897 174.900 -0.059 0.000 0.990 239 G CA -0.009 45.080 45.100 -0.018 0.000 0.627 239 G HN 0.651 nan 8.290 nan 0.000 0.522 240 Q N 1.136 120.897 119.800 -0.066 0.000 2.492 240 Q HA 0.484 4.824 4.340 -0.000 0.000 0.238 240 Q C 1.017 176.914 176.000 -0.172 0.000 1.045 240 Q CA 0.727 56.474 55.803 -0.094 0.000 0.934 240 Q CB 0.491 29.241 28.738 0.020 0.000 1.276 240 Q HN 0.562 nan 8.270 nan 0.000 0.521 241 T N -2.560 111.839 114.554 -0.259 0.000 2.927 241 T HA 0.225 4.575 4.350 -0.000 0.000 0.281 241 T C 0.780 175.434 174.700 -0.077 0.000 0.998 241 T CA -0.915 60.990 62.100 -0.325 0.000 1.019 241 T CB 1.233 69.731 68.868 -0.618 0.000 1.061 241 T HN 0.613 nan 8.240 nan 0.000 0.518 242 K N 0.041 120.428 120.400 -0.022 0.000 2.211 242 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 242 K C 1.480 178.194 176.600 0.189 0.000 1.047 242 K CA 1.664 58.020 56.287 0.114 0.000 0.935 242 K CB -0.231 32.321 32.500 0.087 0.000 0.728 242 K HN 0.713 nan 8.250 nan 0.000 0.452 243 D N -0.016 120.429 120.400 0.075 0.000 2.162 243 D HA -0.077 4.563 4.640 -0.000 0.000 0.203 243 D C 1.372 177.708 176.300 0.061 0.000 0.967 243 D CA 0.941 54.981 54.000 0.067 0.000 0.840 243 D CB 0.312 41.124 40.800 0.020 0.000 0.972 243 D HN 0.234 nan 8.370 nan 0.000 0.482 244 E N -0.901 119.318 120.200 0.032 0.000 2.152 244 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 244 E C 1.428 178.097 176.600 0.115 0.000 0.983 244 E CA 0.462 56.883 56.400 0.036 0.000 0.818 244 E CB -0.090 29.593 29.700 -0.029 0.000 0.758 244 E HN 0.425 nan 8.360 nan 0.000 0.467 245 W N 2.148 123.435 121.300 -0.022 0.000 2.402 245 W HA -0.115 4.545 4.660 -0.000 0.000 0.286 245 W C 1.368 177.924 176.519 0.062 0.000 1.221 245 W CA 1.141 58.496 57.345 0.018 0.000 1.257 245 W CB 0.128 29.591 29.460 0.005 0.000 1.120 245 W HN -0.181 nan 8.180 nan 0.000 0.551 246 K N -0.145 120.213 120.400 -0.069 0.000 2.442 246 K HA -0.070 4.250 4.320 -0.000 0.000 0.198 246 K C 2.239 178.721 176.600 -0.198 0.000 1.044 246 K CA 0.979 57.119 56.287 -0.245 0.000 0.948 246 K CB -0.630 31.840 32.500 -0.051 0.000 0.762 246 K HN 0.345 nan 8.250 nan 0.000 0.472 247 G N 0.373 109.119 108.800 -0.090 0.000 2.404 247 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 247 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 247 G C 1.330 176.212 174.900 -0.030 0.000 1.174 247 G CA 0.501 45.585 45.100 -0.027 0.000 0.780 247 G HN 0.310 nan 8.290 nan 0.000 0.537 248 Y N 1.543 121.730 120.300 -0.188 0.000 2.130 248 Y HA 0.103 4.653 4.550 -0.000 0.000 0.287 248 Y C 3.087 178.828 175.900 -0.264 0.000 1.124 248 Y CA 1.544 59.540 58.100 -0.173 0.000 1.118 248 Y CB -0.164 38.217 38.460 -0.132 0.000 0.994 248 Y HN 0.258 nan 8.280 nan 0.000 0.497 249 A N 0.434 123.009 122.820 -0.409 0.000 1.873 249 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 249 A C 1.992 179.336 177.584 -0.400 0.000 1.193 249 A CA 2.325 54.027 52.037 -0.558 0.000 0.629 249 A CB -0.764 17.542 19.000 -1.156 0.000 0.826 249 A HN 0.672 nan 8.150 nan 0.000 0.447 250 E N -1.345 118.647 120.200 -0.348 0.000 2.170 250 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 250 E C 2.019 178.494 176.600 -0.208 0.000 0.981 250 E CA 1.102 57.362 56.400 -0.233 0.000 0.830 250 E CB -0.228 29.366 29.700 -0.177 0.000 0.775 250 E HN 0.594 nan 8.360 nan 0.000 0.470 251 T N 1.676 116.095 114.554 -0.225 0.000 2.788 251 T HA -0.095 4.254 4.350 -0.000 0.000 0.268 251 T C 1.597 176.136 174.700 -0.269 0.000 1.044 251 T CA 0.988 62.929 62.100 -0.265 0.000 1.139 251 T CB -0.122 68.591 68.868 -0.258 0.000 0.867 251 T HN 0.115 nan 8.240 nan 0.000 0.454 252 N N 0.810 119.357 118.700 -0.255 0.000 2.300 252 N HA -0.004 4.736 4.740 -0.000 0.000 0.179 252 N C 1.850 177.257 175.510 -0.171 0.000 1.016 252 N CA 0.755 53.670 53.050 -0.224 0.000 0.876 252 N CB -0.113 38.197 38.487 -0.296 0.000 0.979 252 N HN 0.401 nan 8.380 nan 0.000 0.432 253 K N 1.148 121.446 120.400 -0.170 0.000 2.148 253 K HA 0.074 4.394 4.320 -0.000 0.000 0.204 253 K C 1.973 178.520 176.600 -0.088 0.000 1.050 253 K CA 0.590 56.807 56.287 -0.117 0.000 0.942 253 K CB 0.046 32.478 32.500 -0.113 0.000 0.724 253 K HN 0.042 nan 8.250 nan 0.000 0.446 254 I N 0.751 121.255 120.570 -0.110 0.000 2.315 254 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 254 I C 1.640 177.709 176.117 -0.081 0.000 1.117 254 I CA 1.032 62.279 61.300 -0.087 0.000 1.404 254 I CB 0.013 37.939 38.000 -0.123 0.000 1.071 254 I HN 0.141 nan 8.210 nan 0.000 0.419 255 L N 0.331 121.483 121.223 -0.119 0.000 2.591 255 L HA 0.213 4.553 4.340 -0.000 0.000 0.228 255 L C 1.505 178.354 176.870 -0.035 0.000 1.133 255 L CA 0.401 55.189 54.840 -0.087 0.000 0.880 255 L CB -0.339 41.637 42.059 -0.138 0.000 1.033 255 L HN 0.452 nan 8.230 nan 0.000 0.450 256 G N 0.915 109.692 108.800 -0.038 0.000 2.179 256 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 256 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 256 G C 0.344 175.231 174.900 -0.022 0.000 1.010 256 G CA 0.129 45.219 45.100 -0.016 0.000 0.736 256 G HN 0.342 nan 8.290 nan 0.000 0.513 257 L N 0.893 122.089 121.223 -0.046 0.000 3.029 257 L HA 0.320 4.660 4.340 -0.000 0.000 0.231 257 L C 1.616 178.441 176.870 -0.076 0.000 1.327 257 L CA -0.052 54.761 54.840 -0.044 0.000 1.166 257 L CB 0.723 42.764 42.059 -0.031 0.000 1.532 257 L HN 0.138 nan 8.230 nan 0.000 0.473 258 S N -0.596 115.062 115.700 -0.069 0.000 2.527 258 S HA -0.044 4.426 4.470 -0.000 0.000 0.222 258 S C 1.163 175.735 174.600 -0.047 0.000 0.985 258 S CA 0.448 58.599 58.200 -0.082 0.000 0.921 258 S CB 0.101 63.261 63.200 -0.065 0.000 0.772 258 S HN 0.508 nan 8.310 nan 0.000 0.529 259 D N 1.605 121.989 120.400 -0.027 0.000 2.240 259 D HA 0.093 4.733 4.640 -0.000 0.000 0.206 259 D C 0.341 176.640 176.300 -0.002 0.000 0.963 259 D CA 0.681 54.676 54.000 -0.007 0.000 0.863 259 D CB 0.030 40.830 40.800 -0.000 0.000 0.973 259 D HN 0.192 nan 8.370 nan 0.000 0.501 260 N N 1.340 120.035 118.700 -0.009 0.000 2.844 260 N HA 0.216 4.956 4.740 -0.000 0.000 0.268 260 N C -2.722 172.782 175.510 -0.010 0.000 1.574 260 N CA -0.948 52.104 53.050 0.003 0.000 0.838 260 N CB 1.982 40.475 38.487 0.010 0.000 1.177 260 N HN -0.059 nan 8.380 nan 0.000 0.495 261 P HA 0.169 nan 4.420 nan 0.000 0.265 261 P C 0.145 177.450 177.300 0.008 0.000 1.222 261 P CA 0.138 63.173 63.100 -0.108 0.000 0.767 261 P CB 0.622 32.185 31.700 -0.229 0.000 0.801 262 I N 6.612 127.191 120.570 0.015 0.000 2.396 262 I HA 0.158 4.328 4.170 -0.000 0.000 0.289 262 I C -1.955 174.289 176.117 0.211 0.000 1.056 262 I CA -2.276 59.101 61.300 0.129 0.000 1.365 262 I CB 0.857 38.958 38.000 0.168 0.000 1.407 262 I HN 0.119 nan 8.210 nan 0.000 0.509 263 P HA 0.099 nan 4.420 nan 0.000 0.271 263 P C -0.920 176.587 177.300 0.346 0.000 1.233 263 P CA 0.044 63.394 63.100 0.416 0.000 0.764 263 P CB 0.629 32.493 31.700 0.274 0.000 0.825 264 V N 4.455 124.572 119.914 0.339 0.000 2.447 264 V HA 0.456 4.576 4.120 -0.000 0.000 0.292 264 V C -0.363 175.847 176.094 0.192 0.000 1.021 264 V CA -0.182 62.263 62.300 0.241 0.000 0.850 264 V CB 1.769 33.696 31.823 0.172 0.000 1.005 264 V HN 0.455 nan 8.190 nan 0.000 0.426 265 D N 2.136 122.630 120.400 0.157 0.000 2.583 265 D HA 0.878 5.518 4.640 -0.000 0.000 0.248 265 D C 0.001 176.361 176.300 0.100 0.000 1.209 265 D CA 0.644 54.700 54.000 0.092 0.000 0.848 265 D CB 2.711 43.523 40.800 0.020 0.000 1.431 265 D HN 0.825 nan 8.370 nan 0.000 0.436 266 G N -0.288 108.549 108.800 0.062 0.000 2.344 266 G HA2 0.316 4.276 3.960 -0.000 0.000 0.282 266 G HA3 0.316 4.276 3.960 -0.000 0.000 0.282 266 G C -1.855 173.055 174.900 0.017 0.000 1.281 266 G CA -0.770 44.366 45.100 0.060 0.000 0.877 266 G HN 0.444 nan 8.290 nan 0.000 0.494 267 L N -0.085 121.142 121.223 0.007 0.000 2.307 267 L HA 0.540 4.880 4.340 -0.000 0.000 0.284 267 L C -0.366 176.471 176.870 -0.055 0.000 1.023 267 L CA -0.797 54.022 54.840 -0.035 0.000 0.810 267 L CB 1.946 43.984 42.059 -0.035 0.000 1.231 267 L HN 0.534 nan 8.230 nan 0.000 0.423 268 C N 3.786 123.039 119.300 -0.078 0.000 2.239 268 C HA 0.558 5.018 4.460 -0.000 0.000 0.325 268 C C 0.279 175.214 174.990 -0.092 0.000 1.231 268 C CA -0.712 58.254 59.018 -0.087 0.000 1.652 268 C CB 0.349 28.042 27.740 -0.078 0.000 2.284 268 C HN 0.451 nan 8.230 nan 0.000 0.499 269 V N 4.308 124.147 119.914 -0.125 0.000 2.495 269 V HA 0.496 4.616 4.120 -0.000 0.000 0.298 269 V C 0.044 176.074 176.094 -0.107 0.000 1.031 269 V CA -0.745 61.486 62.300 -0.116 0.000 0.871 269 V CB 1.706 33.418 31.823 -0.185 0.000 0.988 269 V HN 0.774 nan 8.190 nan 0.000 0.432 270 R N 4.160 124.628 120.500 -0.054 0.000 2.234 270 R HA 0.686 5.026 4.340 -0.000 0.000 0.324 270 R C -0.431 175.827 176.300 -0.070 0.000 1.054 270 R CA -0.200 55.874 56.100 -0.043 0.000 0.912 270 R CB 0.660 30.956 30.300 -0.007 0.000 1.030 270 R HN 0.828 nan 8.270 nan 0.000 0.455 271 I N -0.101 120.450 120.570 -0.033 0.000 3.170 271 I HA 0.644 4.814 4.170 -0.000 0.000 0.312 271 I C 0.513 176.621 176.117 -0.016 0.000 1.085 271 I CA -1.273 60.021 61.300 -0.010 0.000 0.999 271 I CB 2.107 40.156 38.000 0.082 0.000 1.233 271 I HN 0.593 nan 8.210 nan 0.000 0.467 272 G N 1.838 110.637 108.800 -0.002 0.000 3.197 272 G HA2 0.554 4.514 3.960 -0.000 0.000 0.257 272 G HA3 0.554 4.514 3.960 -0.000 0.000 0.257 272 G C -0.103 174.829 174.900 0.054 0.000 0.835 272 G CA 0.106 45.210 45.100 0.007 0.000 2.001 272 G HN 0.905 nan 8.290 nan 0.000 0.625 273 A N 0.633 123.501 122.820 0.081 0.000 2.356 273 A HA 0.756 5.076 4.320 -0.000 0.000 0.323 273 A C 0.874 178.526 177.584 0.113 0.000 1.119 273 A CA -0.717 51.382 52.037 0.103 0.000 0.790 273 A CB 1.312 20.391 19.000 0.132 0.000 1.273 273 A HN 0.271 nan 8.150 nan 0.000 0.452 274 L N 0.101 121.384 121.223 0.099 0.000 2.062 274 L HA 0.068 4.408 4.340 -0.000 0.000 0.202 274 L C 2.213 179.139 176.870 0.094 0.000 1.079 274 L CA 1.566 56.462 54.840 0.094 0.000 0.755 274 L CB -0.106 41.995 42.059 0.070 0.000 0.913 274 L HN 0.955 nan 8.230 nan 0.000 0.445 275 R N -2.341 118.203 120.500 0.072 0.000 2.549 275 R HA 0.292 4.632 4.340 -0.000 0.000 0.399 275 R C -0.493 175.811 176.300 0.007 0.000 0.964 275 R CA -0.364 55.757 56.100 0.035 0.000 1.173 275 R CB -0.326 29.982 30.300 0.012 0.000 1.535 275 R HN 0.073 nan 8.270 nan 0.000 0.551 276 C N 2.318 121.659 119.300 0.069 0.000 2.345 276 C HA 0.525 4.985 4.460 -0.000 0.000 0.323 276 C C -0.646 174.467 174.990 0.204 0.000 1.276 276 C CA -0.721 58.344 59.018 0.079 0.000 1.543 276 C CB 0.542 28.334 27.740 0.088 0.000 2.211 276 C HN 0.400 nan 8.230 nan 0.000 0.493 277 H N 1.187 120.297 119.070 0.066 0.000 2.473 277 H HA 0.538 5.094 4.556 0.000 0.000 0.327 277 H C -0.010 175.326 175.328 0.013 0.000 1.105 277 H CA 0.127 56.213 56.048 0.062 0.000 1.280 277 H CB 1.361 31.160 29.762 0.061 0.000 1.450 277 H HN 0.595 nan 8.280 nan 0.000 0.492 278 S N 2.576 118.348 115.700 0.119 0.000 2.568 278 S HA 0.556 5.025 4.470 -0.000 0.000 0.302 278 S C -0.518 173.954 174.600 -0.213 0.000 1.082 278 S CA -0.902 57.209 58.200 -0.148 0.000 1.009 278 S CB 1.913 65.044 63.200 -0.116 0.000 1.069 278 S HN 0.526 nan 8.310 nan 0.000 0.500 279 Q N 0.652 120.033 119.800 -0.697 0.000 2.315 279 Q HA 0.657 4.997 4.340 -0.000 0.000 0.273 279 Q C -1.398 173.955 176.000 -1.077 0.000 1.053 279 Q CA -0.727 54.690 55.803 -0.644 0.000 0.817 279 Q CB 2.293 30.666 28.738 -0.608 0.000 1.326 279 Q HN 0.741 nan 8.270 nan 0.000 0.423 280 A N 2.939 125.501 122.820 -0.431 0.000 2.288 280 A HA 0.802 5.122 4.320 -0.000 0.000 0.320 280 A C -1.190 176.277 177.584 -0.195 0.000 1.217 280 A CA -0.307 51.654 52.037 -0.127 0.000 0.840 280 A CB 0.186 19.414 19.000 0.379 0.000 1.179 280 A HN 0.619 nan 8.150 nan 0.000 0.504 281 F N 0.626 120.672 119.950 0.159 0.000 2.538 281 F HA 0.571 5.098 4.527 -0.000 0.000 0.325 281 F C 0.542 176.422 175.800 0.134 0.000 1.066 281 F CA -0.648 57.431 58.000 0.131 0.000 0.946 281 F CB 2.838 41.886 39.000 0.081 0.000 1.199 281 F HN 0.374 nan 8.300 nan 0.000 0.473 282 T N 3.522 118.300 114.554 0.373 0.000 2.991 282 T HA 0.486 4.836 4.350 -0.000 0.000 0.347 282 T C -0.440 174.335 174.700 0.124 0.000 1.122 282 T CA -0.325 61.938 62.100 0.271 0.000 1.062 282 T CB 0.043 69.127 68.868 0.361 0.000 1.043 282 T HN 0.276 nan 8.240 nan 0.000 0.491 283 I N 2.902 123.453 120.570 -0.032 0.000 2.315 283 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 283 I C 0.267 176.051 176.117 -0.556 0.000 1.006 283 I CA -0.888 60.242 61.300 -0.282 0.000 1.265 283 I CB 1.127 38.986 38.000 -0.235 0.000 1.387 283 I HN 0.184 nan 8.210 nan 0.000 0.475 284 K N 7.779 127.559 120.400 -1.033 0.000 2.267 284 K HA 0.471 4.790 4.320 -0.000 0.000 0.282 284 K C -1.005 175.114 176.600 -0.802 0.000 1.078 284 K CA -0.133 55.403 56.287 -1.252 0.000 0.903 284 K CB 0.380 31.613 32.500 -2.111 0.000 1.111 284 K HN 0.525 nan 8.250 nan 0.000 0.475 285 L N 4.905 125.782 121.223 -0.576 0.000 2.395 285 L HA 0.258 4.598 4.340 -0.000 0.000 0.269 285 L C 1.347 178.016 176.870 -0.334 0.000 1.133 285 L CA -0.332 54.273 54.840 -0.391 0.000 0.812 285 L CB 0.927 42.819 42.059 -0.278 0.000 1.125 285 L HN 0.715 nan 8.230 nan 0.000 0.452 286 K N 1.271 121.521 120.400 -0.251 0.000 2.103 286 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 286 K C 0.122 176.643 176.600 -0.132 0.000 1.052 286 K CA 1.150 57.332 56.287 -0.175 0.000 0.945 286 K CB 0.143 32.562 32.500 -0.135 0.000 0.722 286 K HN 0.530 nan 8.250 nan 0.000 0.443 287 K N 0.327 120.651 120.400 -0.127 0.000 2.385 287 K HA 0.215 4.535 4.320 -0.000 0.000 0.248 287 K C -1.372 175.174 176.600 -0.090 0.000 0.955 287 K CA -0.975 55.258 56.287 -0.091 0.000 0.816 287 K CB 1.770 34.228 32.500 -0.070 0.000 1.250 287 K HN -0.315 nan 8.250 nan 0.000 0.434 288 D N 2.681 123.044 120.400 -0.062 0.000 2.336 288 D HA 0.250 4.890 4.640 -0.000 0.000 0.249 288 D C -0.950 175.325 176.300 -0.041 0.000 1.213 288 D CA -0.122 53.850 54.000 -0.048 0.000 0.870 288 D CB 0.272 41.057 40.800 -0.025 0.000 1.076 288 D HN 0.520 nan 8.370 nan 0.000 0.483 289 L N 4.416 125.612 121.223 -0.046 0.000 2.341 289 L HA 0.519 4.859 4.340 -0.000 0.000 0.267 289 L C -2.058 174.796 176.870 -0.028 0.000 1.009 289 L CA -2.191 52.626 54.840 -0.038 0.000 0.819 289 L CB 2.275 44.305 42.059 -0.048 0.000 1.323 289 L HN 0.256 nan 8.230 nan 0.000 0.425 290 P HA 0.018 nan 4.420 nan 0.000 0.272 290 P C 0.525 177.816 177.300 -0.013 0.000 1.230 290 P CA -0.414 62.678 63.100 -0.013 0.000 0.788 290 P CB 0.754 32.448 31.700 -0.011 0.000 0.949 291 L N 1.628 122.847 121.223 -0.007 0.000 2.093 291 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 291 L C 1.811 178.679 176.870 -0.003 0.000 1.085 291 L CA 2.126 56.964 54.840 -0.004 0.000 0.755 291 L CB -0.694 41.367 42.059 0.003 0.000 0.904 291 L HN 0.437 nan 8.230 nan 0.000 0.435 292 E N 0.063 120.262 120.200 -0.003 0.000 2.265 292 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 292 E C 2.027 178.624 176.600 -0.005 0.000 0.996 292 E CA 1.136 57.535 56.400 -0.002 0.000 0.832 292 E CB 0.084 29.783 29.700 -0.002 0.000 0.756 292 E HN 0.458 nan 8.360 nan 0.000 0.491 293 E N -0.528 119.667 120.200 -0.009 0.000 2.140 293 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 293 E C 1.927 178.518 176.600 -0.015 0.000 0.973 293 E CA 0.493 56.886 56.400 -0.012 0.000 0.829 293 E CB 0.028 29.718 29.700 -0.017 0.000 0.781 293 E HN 0.324 nan 8.360 nan 0.000 0.466 294 I N 1.351 121.909 120.570 -0.019 0.000 2.361 294 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 294 I C 2.082 178.192 176.117 -0.012 0.000 1.133 294 I CA 1.095 62.380 61.300 -0.025 0.000 1.413 294 I CB -0.118 37.863 38.000 -0.032 0.000 1.073 294 I HN 0.117 nan 8.210 nan 0.000 0.424 295 E N 0.406 120.605 120.200 -0.002 0.000 2.072 295 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 295 E C 2.183 178.788 176.600 0.009 0.000 0.985 295 E CA 0.975 57.379 56.400 0.008 0.000 0.801 295 E CB -0.059 29.648 29.700 0.010 0.000 0.750 295 E HN 0.580 nan 8.360 nan 0.000 0.452 296 Q N 0.256 120.058 119.800 0.004 0.000 2.172 296 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 296 Q C 2.223 178.228 176.000 0.009 0.000 0.964 296 Q CA 0.810 56.615 55.803 0.005 0.000 0.855 296 Q CB 0.029 28.767 28.738 -0.000 0.000 0.918 296 Q HN 0.332 nan 8.270 nan 0.000 0.444 297 I N 0.418 120.990 120.570 0.004 0.000 2.252 297 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 297 I C 2.125 178.258 176.117 0.027 0.000 1.102 297 I CA 1.094 62.399 61.300 0.009 0.000 1.385 297 I CB -0.147 37.845 38.000 -0.012 0.000 1.064 297 I HN 0.185 nan 8.210 nan 0.000 0.414 298 I N 0.730 121.310 120.570 0.015 0.000 2.202 298 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 298 I C 2.767 178.917 176.117 0.055 0.000 1.091 298 I CA 1.281 62.595 61.300 0.024 0.000 1.368 298 I CB -0.440 37.569 38.000 0.014 0.000 1.058 298 I HN 0.158 nan 8.210 nan 0.000 0.410 299 A N 0.572 123.417 122.820 0.041 0.000 1.972 299 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 299 A C 2.374 179.979 177.584 0.036 0.000 1.169 299 A CA 1.983 54.042 52.037 0.038 0.000 0.635 299 A CB -0.622 18.392 19.000 0.022 0.000 0.810 299 A HN 0.530 nan 8.150 nan 0.000 0.446 300 S N -1.680 114.044 115.700 0.040 0.000 2.558 300 S HA -0.058 4.412 4.470 -0.000 0.000 0.217 300 S C 1.700 176.323 174.600 0.039 0.000 0.975 300 S CA 0.604 58.818 58.200 0.024 0.000 0.912 300 S CB -0.690 62.517 63.200 0.012 0.000 0.776 300 S HN 0.722 nan 8.310 nan 0.000 0.526 301 H N 3.362 122.429 119.070 -0.006 0.000 2.353 301 H HA -0.019 4.537 4.556 -0.000 0.000 0.300 301 H C 0.380 175.715 175.328 0.012 0.000 1.090 301 H CA 1.833 57.883 56.048 0.003 0.000 1.327 301 H CB -0.007 29.761 29.762 0.010 0.000 1.383 301 H HN 0.758 nan 8.280 nan 0.000 0.508 302 N N -1.454 117.255 118.700 0.015 0.000 2.708 302 N HA 0.010 4.750 4.740 -0.000 0.000 0.257 302 N C -0.109 175.355 175.510 -0.077 0.000 1.373 302 N CA -0.398 52.645 53.050 -0.012 0.000 0.843 302 N CB 0.664 39.281 38.487 0.216 0.000 1.503 302 N HN 0.101 nan 8.380 nan 0.000 0.504 303 E N -0.984 119.005 120.200 -0.352 0.000 2.482 303 E HA 0.018 4.368 4.350 -0.000 0.000 0.196 303 E C 0.017 176.329 176.600 -0.480 0.000 1.047 303 E CA 0.323 56.409 56.400 -0.523 0.000 0.869 303 E CB -0.122 29.107 29.700 -0.784 0.000 0.836 303 E HN 0.605 nan 8.360 nan 0.000 0.520 304 W N 1.139 122.456 121.300 0.029 0.000 2.588 304 W HA 0.266 4.926 4.660 -0.000 0.000 0.277 304 W C 1.026 177.563 176.519 0.030 0.000 1.221 304 W CA -0.466 56.915 57.345 0.061 0.000 1.355 304 W CB -0.091 29.422 29.460 0.089 0.000 1.083 304 W HN -0.060 nan 8.180 nan 0.000 0.581 305 V N 2.797 122.833 119.914 0.204 0.000 2.872 305 V HA 0.047 4.167 4.120 -0.000 0.000 0.307 305 V C -0.025 176.123 176.094 0.090 0.000 1.072 305 V CA 0.602 62.977 62.300 0.126 0.000 1.148 305 V CB 0.979 32.863 31.823 0.102 0.000 0.954 305 V HN -0.001 nan 8.190 nan 0.000 0.490 306 K N 4.646 125.096 120.400 0.083 0.000 2.565 306 K HA 0.525 4.845 4.320 -0.000 0.000 0.249 306 K C -1.635 175.002 176.600 0.061 0.000 0.958 306 K CA -0.695 55.630 56.287 0.065 0.000 0.806 306 K CB 2.068 34.611 32.500 0.071 0.000 1.194 306 K HN 0.538 nan 8.250 nan 0.000 0.434 307 V N 5.970 125.913 119.914 0.048 0.000 2.408 307 V HA 0.242 4.362 4.120 -0.000 0.000 0.267 307 V C 0.097 176.217 176.094 0.044 0.000 1.047 307 V CA -0.631 61.697 62.300 0.047 0.000 0.937 307 V CB 0.836 32.681 31.823 0.037 0.000 0.999 307 V HN 0.610 nan 8.190 nan 0.000 0.472 308 I N 8.547 129.148 120.570 0.052 0.000 2.312 308 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 308 I C -1.769 174.371 176.117 0.038 0.000 1.031 308 I CA -2.863 58.465 61.300 0.046 0.000 1.293 308 I CB 1.084 39.118 38.000 0.057 0.000 1.403 308 I HN 0.411 nan 8.210 nan 0.000 0.484 309 P HA 0.010 nan 4.420 nan 0.000 0.268 309 P C -0.035 177.276 177.300 0.019 0.000 1.205 309 P CA -0.221 62.892 63.100 0.021 0.000 0.771 309 P CB 0.566 32.276 31.700 0.016 0.000 0.858 310 N N 1.819 120.529 118.700 0.017 0.000 3.059 310 N HA -0.021 4.719 4.740 -0.000 0.000 0.321 310 N C -0.685 174.827 175.510 0.003 0.000 1.224 310 N CA 0.187 53.244 53.050 0.011 0.000 1.197 310 N CB -0.728 37.767 38.487 0.013 0.000 1.453 310 N HN 0.404 nan 8.380 nan 0.000 0.544 311 D N -0.630 119.771 120.400 0.002 0.000 2.671 311 D HA 0.207 4.847 4.640 -0.000 0.000 0.232 311 D C 0.799 177.095 176.300 -0.007 0.000 1.114 311 D CA -0.803 53.196 54.000 -0.002 0.000 0.858 311 D CB 1.370 42.171 40.800 0.002 0.000 1.544 311 D HN 0.028 nan 8.370 nan 0.000 0.471 312 K N 1.739 122.133 120.400 -0.011 0.000 1.969 312 K HA -0.218 4.102 4.320 -0.000 0.000 0.216 312 K C 1.508 178.101 176.600 -0.012 0.000 1.048 312 K CA 1.625 57.902 56.287 -0.016 0.000 0.948 312 K CB -0.038 32.452 32.500 -0.017 0.000 0.726 312 K HN 0.609 nan 8.250 nan 0.000 0.442 313 E N 0.154 120.350 120.200 -0.006 0.000 2.171 313 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 313 E C 1.931 178.532 176.600 0.002 0.000 0.997 313 E CA 1.509 57.907 56.400 -0.002 0.000 0.810 313 E CB -0.044 29.656 29.700 -0.000 0.000 0.738 313 E HN 0.437 nan 8.360 nan 0.000 0.467 314 I N -0.188 120.384 120.570 0.004 0.000 2.480 314 I HA -0.153 4.017 4.170 -0.000 0.000 0.251 314 I C 2.319 178.443 176.117 0.012 0.000 1.124 314 I CA 0.791 62.096 61.300 0.010 0.000 1.444 314 I CB -0.110 37.898 38.000 0.012 0.000 1.098 314 I HN 0.046 nan 8.210 nan 0.000 0.428 315 T N 1.314 115.870 114.554 0.004 0.000 2.777 315 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 315 T C 1.875 176.573 174.700 -0.004 0.000 1.040 315 T CA 1.202 63.302 62.100 0.000 0.000 1.141 315 T CB -0.176 68.679 68.868 -0.023 0.000 0.868 315 T HN 0.069 nan 8.240 nan 0.000 0.444 316 L N 0.746 121.963 121.223 -0.011 0.000 2.083 316 L HA 0.056 4.396 4.340 -0.000 0.000 0.209 316 L C 2.516 179.389 176.870 0.005 0.000 1.083 316 L CA 1.576 56.410 54.840 -0.010 0.000 0.752 316 L CB -0.501 41.551 42.059 -0.012 0.000 0.899 316 L HN 0.108 nan 8.230 nan 0.000 0.433 317 R N -1.144 119.363 120.500 0.011 0.000 2.127 317 R HA -0.041 4.299 4.340 -0.000 0.000 0.217 317 R C 1.687 178.004 176.300 0.029 0.000 1.074 317 R CA 0.789 56.900 56.100 0.019 0.000 0.991 317 R CB 0.314 30.624 30.300 0.016 0.000 0.895 317 R HN 0.310 nan 8.270 nan 0.000 0.450 318 E N -0.027 120.193 120.200 0.033 0.000 2.256 318 E HA -0.030 4.320 4.350 -0.000 0.000 0.198 318 E C 0.393 177.030 176.600 0.062 0.000 0.908 318 E CA 0.158 56.585 56.400 0.046 0.000 0.915 318 E CB 0.047 29.774 29.700 0.045 0.000 0.890 318 E HN 0.079 nan 8.360 nan 0.000 0.484 319 L N 2.871 124.134 121.223 0.066 0.000 2.873 319 L HA 0.155 4.495 4.340 -0.000 0.000 0.236 319 L C -0.318 176.621 176.870 0.116 0.000 1.375 319 L CA 0.282 55.185 54.840 0.105 0.000 1.239 319 L CB -0.733 41.401 42.059 0.125 0.000 1.603 319 L HN 0.014 nan 8.230 nan 0.000 0.430 320 T N -3.363 111.246 114.554 0.092 0.000 2.883 320 T HA 0.484 4.834 4.350 -0.000 0.000 0.301 320 T C -2.294 172.456 174.700 0.083 0.000 1.158 320 T CA -1.613 60.539 62.100 0.086 0.000 1.007 320 T CB 1.770 70.669 68.868 0.051 0.000 1.186 320 T HN -0.182 nan 8.240 nan 0.000 0.499 321 P HA 0.005 nan 4.420 nan 0.000 0.218 321 P C 1.684 179.023 177.300 0.066 0.000 1.148 321 P CA 1.461 64.610 63.100 0.081 0.000 0.822 321 P CB -0.195 31.559 31.700 0.090 0.000 0.784 322 A N -0.322 122.533 122.820 0.058 0.000 1.940 322 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 322 A C 2.250 179.862 177.584 0.047 0.000 1.176 322 A CA 2.174 54.240 52.037 0.047 0.000 0.631 322 A CB -0.946 18.078 19.000 0.040 0.000 0.814 322 A HN 0.086 nan 8.150 nan 0.000 0.446 323 K N -0.158 120.273 120.400 0.051 0.000 2.044 323 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 323 K C 1.753 178.389 176.600 0.060 0.000 1.049 323 K CA 1.674 57.992 56.287 0.053 0.000 0.945 323 K CB -0.546 31.986 32.500 0.054 0.000 0.724 323 K HN 0.425 nan 8.250 nan 0.000 0.440 324 V N -0.025 119.930 119.914 0.069 0.000 3.306 324 V HA 0.104 4.224 4.120 -0.000 0.000 0.264 324 V C 0.021 176.156 176.094 0.069 0.000 1.149 324 V CA 0.530 62.876 62.300 0.078 0.000 1.143 324 V CB -0.760 31.119 31.823 0.093 0.000 0.767 324 V HN 0.184 nan 8.190 nan 0.000 0.476 325 T N 2.592 117.180 114.554 0.057 0.000 2.831 325 T HA 0.413 4.763 4.350 -0.000 0.000 0.291 325 T C 1.216 175.937 174.700 0.036 0.000 0.981 325 T CA 1.235 63.362 62.100 0.044 0.000 1.174 325 T CB 0.009 68.902 68.868 0.043 0.000 0.929 325 T HN 1.352 nan 8.240 nan 0.000 0.532 326 G N 3.079 111.894 108.800 0.024 0.000 2.159 326 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.256 326 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.256 326 G C 0.323 175.234 174.900 0.019 0.000 0.977 326 G CA 0.272 45.380 45.100 0.013 0.000 0.652 326 G HN 1.143 nan 8.290 nan 0.000 0.531 327 T N -2.248 112.331 114.554 0.041 0.000 2.932 327 T HA 0.727 5.077 4.350 -0.000 0.000 0.289 327 T C 1.162 175.920 174.700 0.096 0.000 1.039 327 T CA -0.595 61.547 62.100 0.070 0.000 1.024 327 T CB 1.913 70.838 68.868 0.094 0.000 1.090 327 T HN 0.276 nan 8.240 nan 0.000 0.496 328 L N 1.152 122.467 121.223 0.152 0.000 2.591 328 L HA 0.236 4.576 4.340 -0.000 0.000 0.228 328 L C 1.554 178.728 176.870 0.506 0.000 1.133 328 L CA -0.141 54.853 54.840 0.255 0.000 0.880 328 L CB 0.039 42.246 42.059 0.247 0.000 1.033 328 L HN 0.720 nan 8.230 nan 0.000 0.450 329 S N 0.271 116.181 115.700 0.350 0.000 2.549 329 S HA 0.218 4.688 4.470 -0.000 0.000 0.279 329 S C 0.012 174.765 174.600 0.255 0.000 1.321 329 S CA -0.376 58.008 58.200 0.307 0.000 1.054 329 S CB 0.820 64.138 63.200 0.197 0.000 0.899 329 S HN -0.001 nan 8.310 nan 0.000 0.497 330 V N 8.541 128.589 119.914 0.223 0.000 2.260 330 V HA 0.347 4.467 4.120 -0.000 0.000 0.263 330 V C -2.131 174.031 176.094 0.112 0.000 1.036 330 V CA -1.577 60.810 62.300 0.145 0.000 0.874 330 V CB 0.712 32.580 31.823 0.074 0.000 1.116 330 V HN 0.731 nan 8.190 nan 0.000 0.454 331 P HA 0.236 nan 4.420 nan 0.000 0.276 331 P C -0.626 176.725 177.300 0.085 0.000 1.230 331 P CA 0.140 63.295 63.100 0.092 0.000 0.776 331 P CB 2.565 34.319 31.700 0.091 0.000 0.888 332 V N 2.812 122.779 119.914 0.089 0.000 2.588 332 V HA 0.843 4.963 4.120 -0.000 0.000 0.304 332 V C -0.019 176.138 176.094 0.105 0.000 1.042 332 V CA -0.127 62.233 62.300 0.100 0.000 0.877 332 V CB 1.636 33.523 31.823 0.107 0.000 0.996 332 V HN 0.873 nan 8.190 nan 0.000 0.425 333 G N 4.092 112.972 108.800 0.133 0.000 2.911 333 G HA2 0.566 4.526 3.960 -0.000 0.000 0.299 333 G HA3 0.566 4.526 3.960 -0.000 0.000 0.299 333 G C -0.496 174.481 174.900 0.129 0.000 1.283 333 G CA -0.661 44.509 45.100 0.116 0.000 0.805 333 G HN 0.721 nan 8.290 nan 0.000 0.548 334 R N -1.431 119.119 120.500 0.084 0.000 3.641 334 R HA -0.140 4.200 4.340 -0.000 0.000 0.286 334 R C 0.012 176.356 176.300 0.073 0.000 1.153 334 R CA 0.308 56.445 56.100 0.062 0.000 0.775 334 R CB -2.557 27.776 30.300 0.055 0.000 1.215 334 R HN 0.447 nan 8.270 nan 0.000 0.474 335 L N 2.025 123.290 121.223 0.069 0.000 2.433 335 L HA 0.218 4.558 4.340 -0.000 0.000 0.275 335 L C 1.270 178.166 176.870 0.043 0.000 1.128 335 L CA 0.404 55.281 54.840 0.062 0.000 0.875 335 L CB 0.306 42.397 42.059 0.053 0.000 1.171 335 L HN 0.235 nan 8.230 nan 0.000 0.463 336 R N 2.200 122.727 120.500 0.045 0.000 2.728 336 R HA 0.519 4.859 4.340 -0.000 0.000 0.274 336 R C -1.561 174.763 176.300 0.041 0.000 1.030 336 R CA -1.239 54.882 56.100 0.035 0.000 0.876 336 R CB 1.203 31.521 30.300 0.031 0.000 1.259 336 R HN 0.080 nan 8.270 nan 0.000 0.468 337 K N 1.712 122.133 120.400 0.035 0.000 2.205 337 K HA 0.358 4.678 4.320 -0.000 0.000 0.279 337 K C 0.017 176.646 176.600 0.049 0.000 1.027 337 K CA -0.472 55.842 56.287 0.045 0.000 0.932 337 K CB 1.052 33.574 32.500 0.036 0.000 1.032 337 K HN 0.449 nan 8.250 nan 0.000 0.466 338 L N 1.052 122.317 121.223 0.070 0.000 2.439 338 L HA 0.186 4.526 4.340 -0.000 0.000 0.259 338 L C 1.570 178.437 176.870 -0.004 0.000 1.129 338 L CA -0.295 54.570 54.840 0.041 0.000 0.803 338 L CB 0.795 42.890 42.059 0.060 0.000 1.161 338 L HN 0.732 nan 8.230 nan 0.000 0.462 339 A N 1.149 123.947 122.820 -0.036 0.000 2.172 339 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 339 A C 1.794 179.311 177.584 -0.112 0.000 1.154 339 A CA 1.173 53.178 52.037 -0.054 0.000 0.701 339 A CB -0.441 18.534 19.000 -0.040 0.000 0.789 339 A HN 0.769 nan 8.150 nan 0.000 0.465 340 M N -1.021 118.436 119.600 -0.239 0.000 2.562 340 M HA 0.274 4.754 4.480 -0.000 0.000 0.257 340 M C 0.966 177.085 176.300 -0.302 0.000 1.099 340 M CA 1.076 56.112 55.300 -0.439 0.000 1.099 340 M CB -0.112 31.869 32.600 -1.031 0.000 1.427 340 M HN 0.440 nan 8.290 nan 0.000 0.489 341 G N -0.861 107.893 108.800 -0.077 0.000 2.350 341 G HA2 0.199 4.159 3.960 -0.000 0.000 0.304 341 G HA3 0.199 4.159 3.960 -0.000 0.000 0.304 341 G C -2.802 172.204 174.900 0.178 0.000 1.421 341 G CA -0.923 44.249 45.100 0.121 0.000 0.934 341 G HN -0.134 nan 8.290 nan 0.000 0.632 342 P HA 0.112 nan 4.420 nan 0.000 0.245 342 P C 0.590 177.920 177.300 0.049 0.000 1.212 342 P CA 0.757 63.899 63.100 0.071 0.000 0.774 342 P CB 0.454 32.176 31.700 0.037 0.000 0.999 343 E N -1.046 119.201 120.200 0.078 0.000 2.474 343 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 343 E C -0.304 176.166 176.600 -0.216 0.000 1.039 343 E CA 0.040 56.387 56.400 -0.088 0.000 0.881 343 E CB 0.090 29.698 29.700 -0.153 0.000 0.970 343 E HN 0.442 nan 8.360 nan 0.000 0.486 344 Y N 0.883 121.124 120.300 -0.098 0.000 2.334 344 Y HA 0.307 4.857 4.550 -0.000 0.000 0.336 344 Y C -0.138 175.719 175.900 -0.072 0.000 0.960 344 Y CA -0.972 57.061 58.100 -0.111 0.000 1.164 344 Y CB 1.162 39.591 38.460 -0.052 0.000 1.155 344 Y HN -0.055 nan 8.280 nan 0.000 0.478 345 L N 3.444 124.682 121.223 0.026 0.000 2.325 345 L HA 0.912 5.252 4.340 -0.000 0.000 0.278 345 L C -0.607 176.310 176.870 0.078 0.000 1.023 345 L CA -0.578 54.279 54.840 0.029 0.000 0.811 345 L CB 1.388 43.427 42.059 -0.035 0.000 1.249 345 L HN 0.624 nan 8.230 nan 0.000 0.431 346 A N 3.976 126.855 122.820 0.098 0.000 2.317 346 A HA 0.955 5.275 4.320 -0.000 0.000 0.327 346 A C -0.850 176.826 177.584 0.154 0.000 1.178 346 A CA 0.045 52.164 52.037 0.138 0.000 0.817 346 A CB 1.061 20.129 19.000 0.113 0.000 1.189 346 A HN 1.208 nan 8.150 nan 0.000 0.489 347 A N 1.384 124.339 122.820 0.224 0.000 2.520 347 A HA 0.737 5.057 4.320 -0.000 0.000 0.298 347 A C -1.579 176.132 177.584 0.212 0.000 1.051 347 A CA -0.340 51.846 52.037 0.249 0.000 0.690 347 A CB 0.998 20.201 19.000 0.337 0.000 1.281 347 A HN 1.381 nan 8.150 nan 0.000 0.402 348 F N 1.191 121.138 119.950 -0.005 0.000 2.518 348 F HA 0.730 5.257 4.527 -0.000 0.000 0.323 348 F C 0.068 175.820 175.800 -0.079 0.000 1.129 348 F CA 0.094 58.013 58.000 -0.135 0.000 0.920 348 F CB 2.315 41.236 39.000 -0.132 0.000 1.160 348 F HN 0.623 nan 8.300 nan 0.000 0.440 349 T N 4.841 118.986 114.554 -0.681 0.000 2.907 349 T HA 0.796 5.146 4.350 -0.000 0.000 0.292 349 T C -1.792 172.651 174.700 -0.428 0.000 1.043 349 T CA -0.486 61.417 62.100 -0.328 0.000 1.003 349 T CB 1.434 70.268 68.868 -0.056 0.000 1.084 349 T HN 0.386 nan 8.240 nan 0.000 0.483 350 V N 2.089 121.927 119.914 -0.126 0.000 2.686 350 V HA 0.898 5.018 4.120 -0.000 0.000 0.306 350 V C 0.345 176.462 176.094 0.039 0.000 1.065 350 V CA -0.608 61.667 62.300 -0.040 0.000 0.894 350 V CB 1.741 33.592 31.823 0.048 0.000 1.004 350 V HN 1.137 nan 8.190 nan 0.000 0.424 351 G N 1.314 110.152 108.800 0.064 0.000 2.733 351 G HA2 0.458 4.418 3.960 -0.000 0.000 0.297 351 G HA3 0.458 4.418 3.960 -0.000 0.000 0.297 351 G C -1.684 173.262 174.900 0.077 0.000 1.422 351 G CA -0.494 44.665 45.100 0.099 0.000 0.942 351 G HN 0.603 nan 8.290 nan 0.000 0.510 352 D N 0.908 121.357 120.400 0.083 0.000 2.358 352 D HA 0.009 4.649 4.640 -0.000 0.000 0.258 352 D C 1.112 177.393 176.300 -0.032 0.000 1.223 352 D CA -0.202 53.812 54.000 0.022 0.000 0.886 352 D CB 1.380 42.194 40.800 0.024 0.000 1.120 352 D HN 0.415 nan 8.370 nan 0.000 0.482 353 Q N 4.097 123.810 119.800 -0.145 0.000 2.124 353 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 353 Q C 1.867 177.790 176.000 -0.129 0.000 0.977 353 Q CA 1.047 56.694 55.803 -0.260 0.000 0.850 353 Q CB 0.106 28.495 28.738 -0.583 0.000 0.901 353 Q HN 0.692 nan 8.270 nan 0.000 0.429 354 L N 0.071 121.237 121.223 -0.094 0.000 2.217 354 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 354 L C 2.167 178.980 176.870 -0.095 0.000 1.107 354 L CA 0.325 55.122 54.840 -0.072 0.000 0.783 354 L CB -0.143 41.884 42.059 -0.053 0.000 0.919 354 L HN 0.180 nan 8.230 nan 0.000 0.442 355 L N -1.894 119.257 121.223 -0.119 0.000 2.157 355 L HA -0.041 4.299 4.340 -0.000 0.000 0.201 355 L C 2.086 178.795 176.870 -0.268 0.000 1.221 355 L CA 0.869 55.564 54.840 -0.241 0.000 0.915 355 L CB -0.713 41.172 42.059 -0.290 0.000 1.013 355 L HN 0.140 nan 8.230 nan 0.000 0.522 356 W N 0.195 121.428 121.300 -0.110 0.000 2.468 356 W HA -0.058 4.602 4.660 0.000 0.000 0.262 356 W C 1.981 178.448 176.519 -0.087 0.000 1.241 356 W CA 0.634 57.904 57.345 -0.126 0.000 1.232 356 W CB -0.252 29.126 29.460 -0.136 0.000 1.124 356 W HN 0.286 nan 8.180 nan 0.000 0.597 357 G N -1.284 107.581 108.800 0.108 0.000 3.088 357 G HA2 0.374 4.334 3.960 -0.000 0.000 0.217 357 G HA3 0.374 4.334 3.960 -0.000 0.000 0.217 357 G C 0.709 175.623 174.900 0.023 0.000 1.159 357 G CA 0.611 45.746 45.100 0.059 0.000 0.760 357 G HN 0.221 nan 8.290 nan 0.000 0.550 358 A N -0.336 122.482 122.820 -0.005 0.000 1.632 358 A HA 0.685 5.005 4.320 -0.000 0.000 0.140 358 A C 2.000 179.563 177.584 -0.035 0.000 1.521 358 A CA 1.199 53.229 52.037 -0.011 0.000 1.881 358 A CB -0.902 18.087 19.000 -0.017 0.000 1.797 358 A HN 0.624 nan 8.150 nan 0.000 1.234 359 A N -0.337 122.438 122.820 -0.074 0.000 1.970 359 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 359 A C 1.728 179.215 177.584 -0.163 0.000 1.170 359 A CA 2.190 54.172 52.037 -0.091 0.000 0.645 359 A CB -0.393 18.559 19.000 -0.081 0.000 0.816 359 A HN 0.518 nan 8.150 nan 0.000 0.447 360 E N 0.260 120.287 120.200 -0.289 0.000 2.077 360 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 360 E C -0.773 175.626 176.600 -0.336 0.000 0.989 360 E CA 1.731 57.835 56.400 -0.493 0.000 0.800 360 E CB -0.858 28.187 29.700 -1.091 0.000 0.746 360 E HN 0.433 nan 8.360 nan 0.000 0.452 361 P HA -0.089 nan 4.420 nan 0.000 0.221 361 P C 1.221 178.503 177.300 -0.030 0.000 1.150 361 P CA 0.778 63.882 63.100 0.006 0.000 0.800 361 P CB 0.167 31.921 31.700 0.090 0.000 0.787 362 V N 0.154 120.042 119.914 -0.043 0.000 2.307 362 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 362 V C 2.639 178.697 176.094 -0.060 0.000 1.045 362 V CA 1.773 64.055 62.300 -0.030 0.000 1.024 362 V CB -0.957 30.860 31.823 -0.011 0.000 0.651 362 V HN 0.061 nan 8.190 nan 0.000 0.449 363 R N 0.047 120.492 120.500 -0.091 0.000 2.105 363 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 363 R C 2.493 178.724 176.300 -0.115 0.000 1.135 363 R CA 1.710 57.745 56.100 -0.108 0.000 0.967 363 R CB -0.155 30.056 30.300 -0.150 0.000 0.861 363 R HN 0.437 nan 8.270 nan 0.000 0.442 364 R N -0.183 120.246 120.500 -0.118 0.000 2.115 364 R HA -0.085 4.255 4.340 -0.000 0.000 0.226 364 R C 2.225 178.463 176.300 -0.103 0.000 1.100 364 R CA 1.070 57.115 56.100 -0.092 0.000 0.980 364 R CB -0.285 29.980 30.300 -0.059 0.000 0.875 364 R HN 0.228 nan 8.270 nan 0.000 0.445 365 I N 0.688 121.184 120.570 -0.123 0.000 2.500 365 I HA -0.147 4.023 4.170 -0.000 0.000 0.252 365 I C 1.783 177.759 176.117 -0.233 0.000 1.142 365 I CA 0.946 62.121 61.300 -0.210 0.000 1.451 365 I CB -0.084 37.775 38.000 -0.236 0.000 1.093 365 I HN 0.044 nan 8.210 nan 0.000 0.430 366 L N 0.816 121.939 121.223 -0.167 0.000 2.046 366 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 366 L C 2.443 179.219 176.870 -0.156 0.000 1.077 366 L CA 1.898 56.642 54.840 -0.159 0.000 0.747 366 L CB -1.003 40.994 42.059 -0.103 0.000 0.896 366 L HN 0.230 nan 8.230 nan 0.000 0.432 367 K N -0.956 119.364 120.400 -0.133 0.000 2.097 367 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 367 K C 2.074 178.602 176.600 -0.121 0.000 1.049 367 K CA 1.805 58.025 56.287 -0.113 0.000 0.933 367 K CB -0.062 32.385 32.500 -0.087 0.000 0.717 367 K HN 0.549 nan 8.250 nan 0.000 0.442 368 Q N 0.173 119.883 119.800 -0.150 0.000 2.119 368 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 368 Q C 2.208 178.082 176.000 -0.210 0.000 0.972 368 Q CA 1.038 56.742 55.803 -0.165 0.000 0.847 368 Q CB 0.048 28.669 28.738 -0.194 0.000 0.903 368 Q HN 0.339 nan 8.270 nan 0.000 0.433 369 L N 0.318 121.375 121.223 -0.277 0.000 2.156 369 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 369 L C 2.322 179.049 176.870 -0.237 0.000 1.095 369 L CA 0.732 55.362 54.840 -0.350 0.000 0.770 369 L CB -0.354 41.420 42.059 -0.475 0.000 0.914 369 L HN 0.188 nan 8.230 nan 0.000 0.439 370 V N -3.252 116.562 119.914 -0.166 0.000 3.406 370 V HA 0.280 4.400 4.120 -0.000 0.000 0.263 370 V C 1.407 177.454 176.094 -0.079 0.000 1.172 370 V CA 0.222 62.458 62.300 -0.107 0.000 1.140 370 V CB -0.922 30.853 31.823 -0.080 0.000 0.784 370 V HN 0.180 nan 8.190 nan 0.000 0.467 371 A N 0.000 122.769 122.820 -0.085 0.000 2.254 371 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 371 A CA 0.000 52.001 52.037 -0.061 0.000 0.836 371 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486