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 2elc_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDAVKKAILG EVLEEEEAYE VMRALMAGEV SPVRAAGLLV ALSLRGERPH DATA SEQUENCE EIAAMARAMR EAARPLRVHR RPLLDIVGTG GDGKGLMNLS TLAALVAAAG DATA SEQUENCE GVAVAKHGNR AASSRAGSAD LLEALGVDLE APPERVGEAI EELGFGFLFA DATA SEQUENCE RVFHPAMRHV APVRAELGVR TVFNLLGPLT NPAGADAYVL GVFSPEWLAP DATA SEQUENCE MAEALERLGA RGLVVHGEGA DELVLGENRV VEVGKGAYAL TPEEVGLKRA DATA SEQUENCE PLEALKGGGP EENAALARRL LKGEEKGPLA DAVALAAGAG FYAAGKTPSL DATA SEQUENCE KEGVALAREV LASGEAYLLL ERYVAFLRA 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 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 D N 3.388 123.794 120.400 0.010 0.000 2.414 2 D HA 0.486 5.126 4.640 0.000 0.000 0.259 2 D C 1.120 177.428 176.300 0.013 0.000 1.269 2 D CA 0.177 54.184 54.000 0.012 0.000 1.028 2 D CB 0.526 41.332 40.800 0.011 0.000 1.093 2 D HN 0.563 nan 8.370 nan 0.000 0.545 3 A N -0.352 122.478 122.820 0.016 0.000 1.972 3 A HA -0.084 4.236 4.320 0.000 0.000 0.219 3 A C 2.253 179.843 177.584 0.010 0.000 1.169 3 A CA 1.430 53.477 52.037 0.017 0.000 0.635 3 A CB -0.951 18.064 19.000 0.024 0.000 0.810 3 A HN 0.374 nan 8.150 nan 0.000 0.446 4 V N 0.199 120.118 119.914 0.007 0.000 2.343 4 V HA -0.265 3.855 4.120 0.000 0.000 0.247 4 V C 2.530 178.627 176.094 0.005 0.000 1.051 4 V CA 2.376 64.679 62.300 0.004 0.000 1.036 4 V CB -0.609 31.216 31.823 0.003 0.000 0.654 4 V HN 0.709 nan 8.190 nan 0.000 0.451 5 K N 0.435 120.839 120.400 0.006 0.000 2.057 5 K HA -0.236 4.084 4.320 0.000 0.000 0.207 5 K C 2.285 178.890 176.600 0.007 0.000 1.049 5 K CA 1.769 58.060 56.287 0.006 0.000 0.931 5 K CB -0.164 32.340 32.500 0.006 0.000 0.714 5 K HN 0.377 nan 8.250 nan 0.000 0.440 6 K N 0.101 120.506 120.400 0.009 0.000 2.097 6 K HA -0.137 4.183 4.320 0.000 0.000 0.206 6 K C 1.922 178.527 176.600 0.009 0.000 1.049 6 K CA 1.252 57.545 56.287 0.011 0.000 0.933 6 K CB -0.163 32.346 32.500 0.015 0.000 0.717 6 K HN 0.237 nan 8.250 nan 0.000 0.442 7 A N 1.255 124.079 122.820 0.006 0.000 1.898 7 A HA -0.116 4.204 4.320 0.000 0.000 0.216 7 A C 2.058 179.643 177.584 0.002 0.000 1.181 7 A CA 1.383 53.420 52.037 0.001 0.000 0.620 7 A CB -0.525 18.472 19.000 -0.006 0.000 0.819 7 A HN 0.343 nan 8.150 nan 0.000 0.442 8 I N -0.267 120.306 120.570 0.004 0.000 2.361 8 I HA -0.220 3.951 4.170 0.000 0.000 0.251 8 I C 1.838 177.958 176.117 0.006 0.000 1.133 8 I CA 0.942 62.245 61.300 0.005 0.000 1.413 8 I CB -0.208 37.795 38.000 0.005 0.000 1.073 8 I HN 0.260 nan 8.210 nan 0.000 0.424 9 L N 0.480 121.707 121.223 0.006 0.000 2.622 9 L HA 0.050 4.390 4.340 0.000 0.000 0.233 9 L C 1.588 178.463 176.870 0.008 0.000 1.156 9 L CA 0.664 55.508 54.840 0.007 0.000 0.866 9 L CB -0.575 41.489 42.059 0.008 0.000 0.980 9 L HN 0.527 nan 8.230 nan 0.000 0.448 10 G N 0.079 108.884 108.800 0.008 0.000 2.143 10 G HA2 -0.256 3.704 3.960 0.000 0.000 0.249 10 G HA3 -0.256 3.704 3.960 0.000 0.000 0.249 10 G C 0.074 174.981 174.900 0.013 0.000 0.981 10 G CA -0.163 44.943 45.100 0.010 0.000 0.665 10 G HN 0.454 nan 8.290 nan 0.000 0.528 11 E N -0.126 120.082 120.200 0.014 0.000 2.331 11 E HA 0.440 4.790 4.350 0.000 0.000 0.272 11 E C 0.682 177.297 176.600 0.025 0.000 1.036 11 E CA -0.685 55.726 56.400 0.019 0.000 0.864 11 E CB 1.791 31.503 29.700 0.019 0.000 1.035 11 E HN 0.103 nan 8.360 nan 0.000 0.408 12 V N 4.113 124.048 119.914 0.036 0.000 2.655 12 V HA -0.004 4.116 4.120 0.000 0.000 0.300 12 V C 0.338 176.474 176.094 0.069 0.000 1.044 12 V CA 0.185 62.518 62.300 0.055 0.000 1.095 12 V CB 0.131 32.003 31.823 0.082 0.000 0.952 12 V HN 0.460 nan 8.190 nan 0.000 0.485 13 L N 4.423 125.690 121.223 0.072 0.000 2.325 13 L HA 0.466 4.807 4.340 0.000 0.000 0.279 13 L C 0.529 177.510 176.870 0.185 0.000 1.054 13 L CA -0.651 54.239 54.840 0.084 0.000 0.804 13 L CB 0.892 42.972 42.059 0.035 0.000 1.200 13 L HN 0.564 nan 8.230 nan 0.000 0.436 14 E N 1.725 122.008 120.200 0.138 0.000 2.392 14 E HA 0.018 4.368 4.350 0.000 0.000 0.256 14 E C 0.753 177.465 176.600 0.187 0.000 1.145 14 E CA -0.115 56.371 56.400 0.143 0.000 0.929 14 E CB 0.754 30.492 29.700 0.064 0.000 0.998 14 E HN 0.545 nan 8.360 nan 0.000 0.442 15 E N 1.194 121.522 120.200 0.213 0.000 2.070 15 E HA -0.258 4.092 4.350 0.000 0.000 0.197 15 E C 1.477 178.160 176.600 0.139 0.000 1.004 15 E CA 1.656 58.181 56.400 0.209 0.000 0.805 15 E CB 0.018 29.807 29.700 0.148 0.000 0.744 15 E HN 0.404 nan 8.360 nan 0.000 0.451 16 E N 1.030 121.285 120.200 0.091 0.000 2.153 16 E HA -0.170 4.180 4.350 0.000 0.000 0.194 16 E C 1.798 178.472 176.600 0.124 0.000 0.988 16 E CA 1.110 57.559 56.400 0.082 0.000 0.811 16 E CB -0.114 29.606 29.700 0.033 0.000 0.746 16 E HN 0.358 nan 8.360 nan 0.000 0.466 17 E N 0.543 120.801 120.200 0.097 0.000 2.107 17 E HA -0.040 4.310 4.350 0.000 0.000 0.191 17 E C 2.097 178.739 176.600 0.071 0.000 0.982 17 E CA 0.785 57.232 56.400 0.078 0.000 0.809 17 E CB -0.139 29.595 29.700 0.058 0.000 0.756 17 E HN 0.288 nan 8.360 nan 0.000 0.459 18 A N 0.983 123.846 122.820 0.072 0.000 1.902 18 A HA -0.221 4.099 4.320 0.000 0.000 0.217 18 A C 2.036 179.640 177.584 0.032 0.000 1.181 18 A CA 1.322 53.372 52.037 0.023 0.000 0.623 18 A CB -0.804 18.192 19.000 -0.007 0.000 0.818 18 A HN 0.382 nan 8.150 nan 0.000 0.443 19 Y N 0.630 120.921 120.300 -0.015 0.000 2.128 19 Y HA -0.245 4.306 4.550 0.000 0.000 0.284 19 Y C 2.426 178.320 175.900 -0.010 0.000 1.154 19 Y CA 2.450 60.542 58.100 -0.013 0.000 1.149 19 Y CB -0.203 38.258 38.460 0.000 0.000 0.976 19 Y HN 0.422 nan 8.280 nan 0.000 0.505 20 E N -0.045 120.250 120.200 0.158 0.000 2.085 20 E HA -0.167 4.183 4.350 0.000 0.000 0.194 20 E C 2.115 178.703 176.600 -0.021 0.000 0.994 20 E CA 1.830 58.279 56.400 0.082 0.000 0.801 20 E CB -0.699 29.061 29.700 0.100 0.000 0.743 20 E HN 0.342 nan 8.360 nan 0.000 0.453 21 V N 0.443 120.341 119.914 -0.026 0.000 2.287 21 V HA -0.269 3.851 4.120 0.000 0.000 0.248 21 V C 2.457 178.505 176.094 -0.076 0.000 1.053 21 V CA 2.104 64.379 62.300 -0.041 0.000 1.027 21 V CB -0.560 31.239 31.823 -0.040 0.000 0.646 21 V HN 0.370 nan 8.190 nan 0.000 0.447 22 M N -0.200 119.316 119.600 -0.139 0.000 2.254 22 M HA -0.062 4.418 4.480 0.000 0.000 0.265 22 M C 2.150 178.344 176.300 -0.177 0.000 1.066 22 M CA 1.602 56.804 55.300 -0.163 0.000 1.123 22 M CB -0.771 31.688 32.600 -0.235 0.000 1.388 22 M HN 0.165 nan 8.290 nan 0.000 0.425 23 R N -0.284 120.055 120.500 -0.268 0.000 2.073 23 R HA -0.121 4.219 4.340 0.000 0.000 0.234 23 R C 1.941 178.190 176.300 -0.086 0.000 1.134 23 R CA 1.703 57.669 56.100 -0.223 0.000 0.952 23 R CB -0.501 29.666 30.300 -0.221 0.000 0.850 23 R HN 0.451 nan 8.270 nan 0.000 0.433 24 A N 1.255 124.040 122.820 -0.058 0.000 1.902 24 A HA -0.132 4.188 4.320 0.000 0.000 0.217 24 A C 2.277 179.851 177.584 -0.016 0.000 1.181 24 A CA 1.193 53.215 52.037 -0.024 0.000 0.623 24 A CB -0.547 18.444 19.000 -0.014 0.000 0.818 24 A HN 0.342 nan 8.150 nan 0.000 0.443 25 L N -1.100 120.119 121.223 -0.006 0.000 2.017 25 L HA -0.210 4.130 4.340 0.000 0.000 0.208 25 L C 2.762 179.652 176.870 0.032 0.000 1.073 25 L CA 1.255 56.113 54.840 0.030 0.000 0.745 25 L CB -0.449 41.664 42.059 0.091 0.000 0.894 25 L HN 0.335 nan 8.230 nan 0.000 0.432 26 M N -0.772 118.841 119.600 0.022 0.000 2.296 26 M HA -0.095 4.385 4.480 0.000 0.000 0.265 26 M C 2.182 178.494 176.300 0.020 0.000 1.064 26 M CA 1.371 56.689 55.300 0.030 0.000 1.109 26 M CB -1.142 31.465 32.600 0.011 0.000 1.396 26 M HN 0.265 nan 8.290 nan 0.000 0.430 27 A N -0.644 122.176 122.820 -0.000 0.000 2.251 27 A HA 0.412 4.732 4.320 0.000 0.000 0.209 27 A C 1.588 179.158 177.584 -0.022 0.000 1.187 27 A CA 0.773 52.808 52.037 -0.004 0.000 0.823 27 A CB -0.726 18.270 19.000 -0.006 0.000 0.846 27 A HN 0.611 nan 8.150 nan 0.000 0.486 28 G N -0.303 108.476 108.800 -0.035 0.000 2.176 28 G HA2 -0.271 3.689 3.960 0.000 0.000 0.252 28 G HA3 -0.271 3.689 3.960 0.000 0.000 0.252 28 G C 0.288 175.140 174.900 -0.081 0.000 1.024 28 G CA 0.647 45.691 45.100 -0.092 0.000 0.755 28 G HN 0.634 nan 8.290 nan 0.000 0.507 29 E N -1.230 118.942 120.200 -0.046 0.000 2.474 29 E HA 0.269 4.619 4.350 0.000 0.000 0.195 29 E C 0.622 177.204 176.600 -0.030 0.000 1.039 29 E CA 0.093 56.472 56.400 -0.035 0.000 0.881 29 E CB 0.903 30.591 29.700 -0.020 0.000 0.970 29 E HN 0.376 nan 8.360 nan 0.000 0.486 30 V N 2.228 122.123 119.914 -0.031 0.000 2.398 30 V HA 0.135 4.255 4.120 0.000 0.000 0.286 30 V C 0.339 176.418 176.094 -0.025 0.000 1.026 30 V CA -0.926 61.362 62.300 -0.019 0.000 0.868 30 V CB 1.521 33.342 31.823 -0.002 0.000 0.982 30 V HN 0.169 nan 8.190 nan 0.000 0.443 31 S N 4.994 120.682 115.700 -0.019 0.000 2.579 31 S HA 0.227 4.697 4.470 0.000 0.000 0.275 31 S C -1.710 172.885 174.600 -0.009 0.000 1.345 31 S CA -0.713 57.476 58.200 -0.019 0.000 1.031 31 S CB 0.856 64.048 63.200 -0.013 0.000 0.892 31 S HN 0.546 nan 8.310 nan 0.000 0.529 32 P HA -0.093 nan 4.420 nan 0.000 0.216 32 P C 1.547 178.850 177.300 0.005 0.000 1.150 32 P CA 0.665 63.766 63.100 0.002 0.000 0.843 32 P CB -0.077 31.626 31.700 0.004 0.000 0.787 33 V N -0.156 119.759 119.914 0.002 0.000 2.295 33 V HA -0.237 3.883 4.120 0.000 0.000 0.246 33 V C 2.407 178.504 176.094 0.006 0.000 1.049 33 V CA 1.848 64.150 62.300 0.004 0.000 1.024 33 V CB -0.881 30.943 31.823 0.002 0.000 0.648 33 V HN 0.092 nan 8.190 nan 0.000 0.447 34 R N -0.094 120.409 120.500 0.005 0.000 2.115 34 R HA -0.002 4.338 4.340 0.000 0.000 0.226 34 R C 2.371 178.679 176.300 0.013 0.000 1.100 34 R CA 1.185 57.289 56.100 0.007 0.000 0.980 34 R CB -0.467 29.835 30.300 0.004 0.000 0.875 34 R HN 0.531 nan 8.270 nan 0.000 0.445 35 A N 1.523 124.354 122.820 0.018 0.000 1.898 35 A HA -0.070 4.250 4.320 0.000 0.000 0.216 35 A C 2.394 180.001 177.584 0.038 0.000 1.181 35 A CA 1.552 53.610 52.037 0.035 0.000 0.620 35 A CB -0.563 18.459 19.000 0.037 0.000 0.819 35 A HN 0.355 nan 8.150 nan 0.000 0.442 36 A N -0.400 122.435 122.820 0.025 0.000 1.877 36 A HA 0.105 4.425 4.320 0.000 0.000 0.216 36 A C 2.421 180.016 177.584 0.019 0.000 1.186 36 A CA 2.002 54.052 52.037 0.022 0.000 0.620 36 A CB -1.423 17.585 19.000 0.012 0.000 0.822 36 A HN 0.723 nan 8.150 nan 0.000 0.443 37 G N 0.510 109.318 108.800 0.014 0.000 2.421 37 G HA2 -0.125 3.835 3.960 0.000 0.000 0.216 37 G HA3 -0.125 3.835 3.960 0.000 0.000 0.216 37 G C 1.506 176.413 174.900 0.011 0.000 1.171 37 G CA 1.378 46.484 45.100 0.011 0.000 0.775 37 G HN 0.863 nan 8.290 nan 0.000 0.543 38 L N -0.581 120.650 121.223 0.013 0.000 2.093 38 L HA 0.203 4.543 4.340 0.000 0.000 0.208 38 L C 2.544 179.418 176.870 0.005 0.000 1.085 38 L CA 1.279 56.123 54.840 0.007 0.000 0.755 38 L CB -0.763 41.300 42.059 0.006 0.000 0.904 38 L HN 0.118 nan 8.230 nan 0.000 0.435 39 L N -0.552 120.684 121.223 0.022 0.000 2.083 39 L HA -0.139 4.201 4.340 0.000 0.000 0.209 39 L C 2.608 179.484 176.870 0.011 0.000 1.083 39 L CA 0.883 55.738 54.840 0.025 0.000 0.752 39 L CB -0.542 41.561 42.059 0.073 0.000 0.899 39 L HN 0.194 nan 8.230 nan 0.000 0.433 40 V N -0.049 119.872 119.914 0.012 0.000 2.358 40 V HA -0.257 3.863 4.120 0.000 0.000 0.246 40 V C 2.742 178.839 176.094 0.005 0.000 1.047 40 V CA 1.715 64.019 62.300 0.007 0.000 1.035 40 V CB -0.762 31.065 31.823 0.007 0.000 0.658 40 V HN 0.466 nan 8.190 nan 0.000 0.452 41 A N -0.001 122.822 122.820 0.005 0.000 1.883 41 A HA -0.179 4.141 4.320 0.000 0.000 0.217 41 A C 2.197 179.783 177.584 0.003 0.000 1.186 41 A CA 1.921 53.960 52.037 0.004 0.000 0.624 41 A CB -0.582 18.420 19.000 0.003 0.000 0.822 41 A HN 0.507 nan 8.150 nan 0.000 0.444 42 L N 0.407 121.626 121.223 -0.005 0.000 2.083 42 L HA -0.177 4.163 4.340 0.000 0.000 0.209 42 L C 2.997 179.870 176.870 0.004 0.000 1.083 42 L CA 1.625 56.458 54.840 -0.011 0.000 0.752 42 L CB -0.644 41.391 42.059 -0.040 0.000 0.899 42 L HN 0.632 nan 8.230 nan 0.000 0.433 43 S N -0.110 115.593 115.700 0.004 0.000 2.402 43 S HA -0.118 4.352 4.470 0.000 0.000 0.229 43 S C 1.954 176.574 174.600 0.033 0.000 1.021 43 S CA 0.698 58.909 58.200 0.018 0.000 0.974 43 S CB -0.476 62.724 63.200 0.001 0.000 0.800 43 S HN 0.352 nan 8.310 nan 0.000 0.484 44 L N 1.703 122.940 121.223 0.023 0.000 2.044 44 L HA -0.036 4.304 4.340 0.000 0.000 0.205 44 L C 3.093 179.982 176.870 0.032 0.000 1.075 44 L CA 1.800 56.656 54.840 0.025 0.000 0.747 44 L CB -0.385 41.683 42.059 0.016 0.000 0.903 44 L HN 0.535 nan 8.230 nan 0.000 0.435 45 R N 0.290 120.808 120.500 0.030 0.000 2.210 45 R HA 0.194 4.534 4.340 0.000 0.000 0.203 45 R C 0.517 176.844 176.300 0.045 0.000 1.010 45 R CA 0.721 56.840 56.100 0.031 0.000 1.008 45 R CB -0.018 30.296 30.300 0.023 0.000 0.923 45 R HN 0.185 nan 8.270 nan 0.000 0.469 46 G N 1.701 110.538 108.800 0.062 0.000 3.421 46 G HA2 -0.153 3.807 3.960 0.000 0.000 0.686 46 G HA3 -0.153 3.807 3.960 0.000 0.000 0.686 46 G C -1.451 173.500 174.900 0.086 0.000 1.056 46 G CA -0.753 44.410 45.100 0.104 0.000 0.891 46 G HN 0.287 nan 8.290 nan 0.000 0.514 47 E N 2.009 122.272 120.200 0.105 0.000 2.324 47 E HA 0.422 4.772 4.350 0.000 0.000 0.271 47 E C 1.184 177.826 176.600 0.070 0.000 1.028 47 E CA -0.027 56.398 56.400 0.042 0.000 0.890 47 E CB 0.690 30.387 29.700 -0.004 0.000 1.004 47 E HN 0.617 nan 8.360 nan 0.000 0.431 48 R N 4.086 124.571 120.500 -0.026 0.000 2.560 48 R HA 0.144 4.484 4.340 0.000 0.000 0.270 48 R C -1.555 174.719 176.300 -0.044 0.000 1.074 48 R CA -1.621 54.471 56.100 -0.013 0.000 1.140 48 R CB -0.061 30.245 30.300 0.010 0.000 1.073 48 R HN 0.367 nan 8.270 nan 0.000 0.527 49 P HA -0.255 nan 4.420 nan 0.000 0.216 49 P C 0.972 178.293 177.300 0.035 0.000 1.157 49 P CA 1.509 64.644 63.100 0.059 0.000 0.880 49 P CB -0.088 31.662 31.700 0.083 0.000 0.791 50 H N -0.602 118.482 119.070 0.023 0.000 2.457 50 H HA 0.021 4.577 4.556 0.000 0.000 0.294 50 H C 1.441 176.781 175.328 0.020 0.000 1.064 50 H CA 1.180 57.239 56.048 0.019 0.000 1.330 50 H CB -0.688 29.083 29.762 0.014 0.000 1.395 50 H HN 0.227 nan 8.280 nan 0.000 0.541 51 E N 0.901 120.733 120.200 -0.613 0.000 2.046 51 E HA -0.025 4.325 4.350 0.000 0.000 0.190 51 E C 2.559 179.054 176.600 -0.176 0.000 0.982 51 E CA 0.928 57.094 56.400 -0.391 0.000 0.800 51 E CB 0.160 29.618 29.700 -0.404 0.000 0.756 51 E HN 0.421 nan 8.360 nan 0.000 0.449 52 I N 1.382 121.867 120.570 -0.141 0.000 2.208 52 I HA -0.280 3.890 4.170 0.000 0.000 0.245 52 I C 2.590 178.664 176.117 -0.072 0.000 1.097 52 I CA 0.994 62.231 61.300 -0.106 0.000 1.363 52 I CB -0.358 37.603 38.000 -0.064 0.000 1.051 52 I HN 0.083 nan 8.210 nan 0.000 0.413 53 A N 0.768 123.570 122.820 -0.031 0.000 1.902 53 A HA -0.149 4.171 4.320 0.000 0.000 0.217 53 A C 2.548 180.150 177.584 0.030 0.000 1.181 53 A CA 1.867 53.907 52.037 0.005 0.000 0.623 53 A CB -0.790 18.230 19.000 0.033 0.000 0.818 53 A HN 0.436 nan 8.150 nan 0.000 0.443 54 A N -0.538 122.309 122.820 0.046 0.000 1.898 54 A HA -0.084 4.236 4.320 0.000 0.000 0.216 54 A C 2.253 179.890 177.584 0.089 0.000 1.181 54 A CA 1.730 53.844 52.037 0.128 0.000 0.620 54 A CB -0.526 18.560 19.000 0.143 0.000 0.819 54 A HN 0.530 nan 8.150 nan 0.000 0.442 55 M N -0.599 118.977 119.600 -0.040 0.000 2.175 55 M HA -0.096 4.385 4.480 0.000 0.000 0.264 55 M C 2.502 178.721 176.300 -0.135 0.000 1.063 55 M CA 1.243 56.459 55.300 -0.140 0.000 1.119 55 M CB -0.436 32.042 32.600 -0.204 0.000 1.377 55 M HN 0.479 nan 8.290 nan 0.000 0.415 56 A N 0.722 123.491 122.820 -0.085 0.000 1.933 56 A HA -0.139 4.181 4.320 0.000 0.000 0.218 56 A C 2.196 179.773 177.584 -0.012 0.000 1.175 56 A CA 1.386 53.385 52.037 -0.064 0.000 0.628 56 A CB -0.557 18.416 19.000 -0.044 0.000 0.814 56 A HN 0.418 nan 8.150 nan 0.000 0.444 57 R N -0.578 119.952 120.500 0.050 0.000 2.081 57 R HA -0.083 4.258 4.340 0.000 0.000 0.235 57 R C 2.481 178.867 176.300 0.143 0.000 1.131 57 R CA 1.184 57.368 56.100 0.140 0.000 0.960 57 R CB -0.483 29.961 30.300 0.241 0.000 0.856 57 R HN 0.513 nan 8.270 nan 0.000 0.436 58 A N 1.061 123.843 122.820 -0.063 0.000 1.933 58 A HA -0.162 4.158 4.320 0.000 0.000 0.218 58 A C 2.174 179.666 177.584 -0.152 0.000 1.175 58 A CA 1.336 53.127 52.037 -0.409 0.000 0.628 58 A CB -0.374 18.116 19.000 -0.851 0.000 0.814 58 A HN 0.191 nan 8.150 nan 0.000 0.444 59 M N -1.169 118.365 119.600 -0.110 0.000 2.132 59 M HA -0.120 4.360 4.480 0.000 0.000 0.263 59 M C 2.367 178.704 176.300 0.063 0.000 1.065 59 M CA 1.343 56.595 55.300 -0.081 0.000 1.122 59 M CB -0.311 32.171 32.600 -0.197 0.000 1.365 59 M HN 0.356 nan 8.290 nan 0.000 0.411 60 R N 0.202 120.750 120.500 0.079 0.000 2.120 60 R HA -0.130 4.210 4.340 0.000 0.000 0.234 60 R C 1.837 178.210 176.300 0.121 0.000 1.123 60 R CA 1.213 57.392 56.100 0.131 0.000 0.975 60 R CB -0.371 29.980 30.300 0.086 0.000 0.866 60 R HN 0.539 nan 8.270 nan 0.000 0.446 61 E N 0.390 120.655 120.200 0.108 0.000 2.208 61 E HA -0.074 4.276 4.350 0.000 0.000 0.193 61 E C 1.675 178.333 176.600 0.096 0.000 0.988 61 E CA 0.890 57.355 56.400 0.109 0.000 0.828 61 E CB 0.096 29.889 29.700 0.154 0.000 0.763 61 E HN 0.324 nan 8.360 nan 0.000 0.478 62 A N 1.180 124.059 122.820 0.098 0.000 2.178 62 A HA 0.320 4.641 4.320 0.000 0.000 0.211 62 A C 1.187 178.854 177.584 0.139 0.000 1.157 62 A CA 0.247 52.343 52.037 0.098 0.000 0.780 62 A CB 0.044 19.089 19.000 0.075 0.000 0.828 62 A HN 0.193 nan 8.150 nan 0.000 0.476 63 A N 0.198 123.129 122.820 0.184 0.000 2.445 63 A HA 0.420 4.740 4.320 0.000 0.000 0.242 63 A C 0.632 178.249 177.584 0.056 0.000 1.075 63 A CA -0.374 51.737 52.037 0.124 0.000 0.777 63 A CB -0.082 18.967 19.000 0.082 0.000 1.013 63 A HN 0.540 nan 8.150 nan 0.000 0.493 64 R N 1.802 122.312 120.500 0.017 0.000 2.489 64 R HA 0.241 4.581 4.340 0.000 0.000 0.287 64 R C -2.440 173.903 176.300 0.072 0.000 1.053 64 R CA -1.090 55.007 56.100 -0.005 0.000 1.036 64 R CB 0.030 30.244 30.300 -0.144 0.000 0.966 64 R HN 0.445 nan 8.270 nan 0.000 0.432 65 P HA -0.003 nan 4.420 nan 0.000 0.265 65 P C -1.459 175.887 177.300 0.078 0.000 1.193 65 P CA -0.005 63.126 63.100 0.051 0.000 0.765 65 P CB 0.626 32.343 31.700 0.027 0.000 0.823 66 L N 2.694 123.953 121.223 0.061 0.000 2.614 66 L HA 0.462 4.802 4.340 0.000 0.000 0.264 66 L C -1.185 175.661 176.870 -0.039 0.000 0.940 66 L CA -0.537 54.334 54.840 0.051 0.000 0.903 66 L CB 1.819 43.968 42.059 0.149 0.000 1.306 66 L HN 0.240 nan 8.230 nan 0.000 0.410 67 R N 4.294 124.748 120.500 -0.078 0.000 2.437 67 R HA 0.844 5.184 4.340 0.000 0.000 0.310 67 R C -1.843 174.297 176.300 -0.267 0.000 0.955 67 R CA -0.574 55.423 56.100 -0.173 0.000 0.851 67 R CB 1.774 31.961 30.300 -0.189 0.000 1.161 67 R HN 0.529 nan 8.270 nan 0.000 0.446 68 V N 4.935 124.691 119.914 -0.264 0.000 2.417 68 V HA 0.243 4.363 4.120 0.000 0.000 0.291 68 V C 0.448 176.389 176.094 -0.254 0.000 1.024 68 V CA -0.723 61.439 62.300 -0.231 0.000 0.861 68 V CB 1.531 33.267 31.823 -0.144 0.000 0.985 68 V HN 0.850 nan 8.190 nan 0.000 0.436 69 H N 3.912 122.975 119.070 -0.012 0.000 2.536 69 H HA 0.261 4.817 4.556 0.000 0.000 0.276 69 H C 0.505 175.825 175.328 -0.013 0.000 1.019 69 H CA 0.162 56.205 56.048 -0.009 0.000 1.159 69 H CB 0.244 30.007 29.762 0.001 0.000 1.373 69 H HN 0.430 nan 8.280 nan 0.000 0.584 70 R N 1.171 121.700 120.500 0.049 0.000 2.514 70 R HA 0.504 4.844 4.340 0.000 0.000 0.301 70 R C -0.052 176.244 176.300 -0.007 0.000 0.962 70 R CA -0.713 55.401 56.100 0.024 0.000 0.882 70 R CB 1.899 32.203 30.300 0.007 0.000 1.143 70 R HN -0.036 nan 8.270 nan 0.000 0.452 71 R N 2.019 122.519 120.500 -0.000 0.000 2.626 71 R HA 0.384 4.724 4.340 0.000 0.000 0.274 71 R C -2.533 173.762 176.300 -0.008 0.000 1.031 71 R CA -2.032 54.060 56.100 -0.013 0.000 0.898 71 R CB 1.304 31.601 30.300 -0.005 0.000 1.222 71 R HN 0.516 nan 8.270 nan 0.000 0.455 72 P HA 0.229 nan 4.420 nan 0.000 0.272 72 P C -0.895 176.370 177.300 -0.059 0.000 1.223 72 P CA -0.613 62.465 63.100 -0.036 0.000 0.784 72 P CB 0.519 32.198 31.700 -0.035 0.000 0.923 73 L N 2.928 124.092 121.223 -0.098 0.000 2.316 73 L HA 0.426 4.766 4.340 0.000 0.000 0.280 73 L C -1.148 175.591 176.870 -0.219 0.000 1.006 73 L CA -0.806 53.950 54.840 -0.140 0.000 0.836 73 L CB 0.954 42.927 42.059 -0.145 0.000 1.221 73 L HN 0.208 nan 8.230 nan 0.000 0.418 74 L N 4.661 125.762 121.223 -0.204 0.000 2.312 74 L HA 0.603 4.943 4.340 0.000 0.000 0.281 74 L C -0.918 175.778 176.870 -0.291 0.000 1.070 74 L CA 0.377 55.065 54.840 -0.253 0.000 0.805 74 L CB 1.217 43.182 42.059 -0.156 0.000 1.174 74 L HN 0.667 nan 8.230 nan 0.000 0.434 75 D N 4.410 124.575 120.400 -0.392 0.000 2.787 75 D HA 0.412 5.052 4.640 0.000 0.000 0.246 75 D C -1.188 175.054 176.300 -0.097 0.000 1.150 75 D CA -0.132 53.714 54.000 -0.256 0.000 0.864 75 D CB 1.373 41.984 40.800 -0.315 0.000 1.481 75 D HN 0.478 nan 8.370 nan 0.000 0.509 76 I N 3.732 124.302 120.570 -0.000 0.000 2.382 76 I HA 0.439 4.609 4.170 0.000 0.000 0.285 76 I C -0.502 175.671 176.117 0.094 0.000 1.007 76 I CA -0.920 60.410 61.300 0.050 0.000 1.142 76 I CB 1.712 39.729 38.000 0.028 0.000 1.289 76 I HN 0.079 nan 8.210 nan 0.000 0.453 77 V N 5.236 125.224 119.914 0.123 0.000 3.147 77 V HA 0.909 5.029 4.120 0.000 0.000 0.306 77 V C -0.652 175.501 176.094 0.098 0.000 1.209 77 V CA -0.169 62.202 62.300 0.120 0.000 1.023 77 V CB 2.402 34.316 31.823 0.152 0.000 1.059 77 V HN 0.742 nan 8.190 nan 0.000 0.435 78 G N 0.958 109.804 108.800 0.076 0.000 2.569 78 G HA2 0.504 4.464 3.960 0.000 0.000 0.300 78 G HA3 0.504 4.464 3.960 0.000 0.000 0.300 78 G C 0.652 175.587 174.900 0.058 0.000 1.269 78 G CA 0.266 45.408 45.100 0.069 0.000 0.959 78 G HN 1.255 nan 8.290 nan 0.000 0.478 79 T N -1.975 112.624 114.554 0.075 0.000 2.995 79 T HA 0.373 4.723 4.350 0.000 0.000 0.269 79 T C 1.571 176.336 174.700 0.110 0.000 1.091 79 T CA 1.242 63.397 62.100 0.091 0.000 1.128 79 T CB -0.554 68.413 68.868 0.165 0.000 0.891 79 T HN 2.365 nan 8.240 nan 0.000 0.492 80 G N 0.584 109.455 108.800 0.118 0.000 2.750 80 G HA2 0.277 4.237 3.960 0.000 0.000 0.228 80 G HA3 0.277 4.237 3.960 0.000 0.000 0.228 80 G C 0.706 175.659 174.900 0.089 0.000 1.367 80 G CA 0.076 45.226 45.100 0.083 0.000 0.871 80 G HN 1.697 nan 8.290 nan 0.000 0.560 81 G N -1.265 107.536 108.800 0.003 0.000 2.153 81 G HA2 -0.059 3.901 3.960 0.000 0.000 0.252 81 G HA3 -0.059 3.901 3.960 0.000 0.000 0.252 81 G C 0.792 175.660 174.900 -0.053 0.000 0.994 81 G CA 1.478 46.515 45.100 -0.105 0.000 0.698 81 G HN 2.315 nan 8.290 nan 0.000 0.521 82 D N -1.050 119.397 120.400 0.079 0.000 2.333 82 D HA 0.332 4.972 4.640 0.000 0.000 0.208 82 D C 2.062 178.406 176.300 0.074 0.000 0.984 82 D CA 1.076 55.159 54.000 0.138 0.000 0.873 82 D CB -0.674 40.231 40.800 0.175 0.000 0.935 82 D HN 1.478 nan 8.370 nan 0.000 0.521 83 G N 0.726 109.546 108.800 0.034 0.000 2.228 83 G HA2 -0.405 3.555 3.960 0.000 0.000 0.270 83 G HA3 -0.405 3.555 3.960 0.000 0.000 0.270 83 G C 1.329 176.245 174.900 0.027 0.000 0.976 83 G CA 0.714 45.827 45.100 0.021 0.000 0.636 83 G HN 0.322 nan 8.290 nan 0.000 0.542 84 K N 0.525 120.946 120.400 0.036 0.000 2.211 84 K HA 0.082 4.402 4.320 0.000 0.000 0.203 84 K C 1.993 178.604 176.600 0.019 0.000 1.050 84 K CA 1.199 57.502 56.287 0.027 0.000 0.945 84 K CB -0.781 31.734 32.500 0.025 0.000 0.732 84 K HN 1.545 nan 8.250 nan 0.000 0.451 85 G N 1.981 110.792 108.800 0.019 0.000 2.273 85 G HA2 -0.258 3.702 3.960 0.000 0.000 0.280 85 G HA3 -0.258 3.702 3.960 0.000 0.000 0.280 85 G C 0.010 174.916 174.900 0.011 0.000 1.047 85 G CA 0.250 45.358 45.100 0.014 0.000 0.869 85 G HN 0.185 nan 8.290 nan 0.000 0.502 86 L N -0.885 120.346 121.223 0.013 0.000 2.439 86 L HA 0.566 4.906 4.340 0.000 0.000 0.259 86 L C 1.388 178.263 176.870 0.009 0.000 1.129 86 L CA -1.085 53.760 54.840 0.008 0.000 0.803 86 L CB 0.934 42.996 42.059 0.006 0.000 1.161 86 L HN 0.343 nan 8.230 nan 0.000 0.462 87 M N 2.103 121.706 119.600 0.005 0.000 2.249 87 M HA -0.001 4.479 4.480 0.000 0.000 0.340 87 M C 0.156 176.461 176.300 0.009 0.000 1.166 87 M CA 0.057 55.360 55.300 0.004 0.000 1.115 87 M CB 0.331 32.930 32.600 -0.001 0.000 1.606 87 M HN 0.470 nan 8.290 nan 0.000 0.448 88 N N 5.185 123.892 118.700 0.012 0.000 2.448 88 N HA 0.127 4.867 4.740 0.000 0.000 0.250 88 N C 0.163 175.682 175.510 0.016 0.000 1.136 88 N CA 0.130 53.193 53.050 0.021 0.000 0.953 88 N CB 0.108 38.612 38.487 0.030 0.000 1.251 88 N HN 0.791 nan 8.380 nan 0.000 0.502 89 L N 1.826 123.058 121.223 0.016 0.000 2.509 89 L HA -0.044 4.296 4.340 0.000 0.000 0.222 89 L C 2.222 179.102 176.870 0.017 0.000 1.123 89 L CA 0.218 55.064 54.840 0.010 0.000 0.856 89 L CB -0.300 41.763 42.059 0.006 0.000 0.985 89 L HN 0.494 nan 8.230 nan 0.000 0.456 90 S N -0.739 114.981 115.700 0.034 0.000 2.387 90 S HA -0.232 4.238 4.470 0.000 0.000 0.230 90 S C 1.916 176.553 174.600 0.061 0.000 1.035 90 S CA 1.966 60.195 58.200 0.049 0.000 1.014 90 S CB -0.845 62.399 63.200 0.072 0.000 0.836 90 S HN 0.385 nan 8.310 nan 0.000 0.466 91 T N 3.166 117.758 114.554 0.064 0.000 2.746 91 T HA 0.089 4.439 4.350 0.000 0.000 0.267 91 T C 1.772 176.482 174.700 0.017 0.000 1.039 91 T CA 1.575 63.718 62.100 0.072 0.000 1.142 91 T CB -0.526 68.347 68.868 0.009 0.000 0.866 91 T HN 0.360 nan 8.240 nan 0.000 0.444 92 L N 0.757 121.971 121.223 -0.014 0.000 2.056 92 L HA 0.005 4.345 4.340 0.000 0.000 0.207 92 L C 3.119 179.964 176.870 -0.042 0.000 1.078 92 L CA 1.119 55.934 54.840 -0.040 0.000 0.749 92 L CB -0.786 41.256 42.059 -0.028 0.000 0.901 92 L HN 0.233 nan 8.230 nan 0.000 0.433 93 A N 0.332 123.137 122.820 -0.026 0.000 1.933 93 A HA -0.145 4.175 4.320 0.000 0.000 0.218 93 A C 2.553 180.094 177.584 -0.073 0.000 1.175 93 A CA 1.700 53.708 52.037 -0.049 0.000 0.628 93 A CB -0.616 18.363 19.000 -0.035 0.000 0.814 93 A HN 0.394 nan 8.150 nan 0.000 0.444 94 A N -0.353 122.462 122.820 -0.008 0.000 1.933 94 A HA -0.020 4.300 4.320 0.000 0.000 0.218 94 A C 2.154 179.765 177.584 0.045 0.000 1.175 94 A CA 1.452 53.522 52.037 0.056 0.000 0.628 94 A CB -0.545 18.581 19.000 0.211 0.000 0.814 94 A HN 0.468 nan 8.150 nan 0.000 0.444 95 L N -0.660 120.507 121.223 -0.093 0.000 2.093 95 L HA -0.138 4.202 4.340 0.000 0.000 0.208 95 L C 2.503 179.285 176.870 -0.148 0.000 1.085 95 L CA 0.843 55.499 54.840 -0.307 0.000 0.755 95 L CB -0.398 41.415 42.059 -0.410 0.000 0.904 95 L HN 0.246 nan 8.230 nan 0.000 0.435 96 V N -0.058 119.799 119.914 -0.096 0.000 2.343 96 V HA -0.283 3.837 4.120 0.000 0.000 0.247 96 V C 2.728 178.797 176.094 -0.043 0.000 1.051 96 V CA 1.775 64.053 62.300 -0.036 0.000 1.036 96 V CB -0.818 30.990 31.823 -0.025 0.000 0.654 96 V HN 0.482 nan 8.190 nan 0.000 0.451 97 A N -0.004 122.668 122.820 -0.246 0.000 1.902 97 A HA -0.129 4.191 4.320 0.000 0.000 0.217 97 A C 2.405 179.978 177.584 -0.017 0.000 1.181 97 A CA 2.123 53.878 52.037 -0.470 0.000 0.623 97 A CB -0.739 17.960 19.000 -0.501 0.000 0.818 97 A HN 0.572 nan 8.150 nan 0.000 0.443 98 A N -0.299 122.535 122.820 0.022 0.000 1.930 98 A HA 0.234 4.554 4.320 0.000 0.000 0.217 98 A C 2.415 180.051 177.584 0.087 0.000 1.175 98 A CA 1.775 53.863 52.037 0.086 0.000 0.627 98 A CB -0.861 18.225 19.000 0.143 0.000 0.815 98 A HN 1.067 nan 8.150 nan 0.000 0.443 99 A N -0.707 122.151 122.820 0.065 0.000 2.067 99 A HA 0.213 4.533 4.320 0.000 0.000 0.219 99 A C 2.039 179.702 177.584 0.131 0.000 1.158 99 A CA 1.481 53.560 52.037 0.070 0.000 0.661 99 A CB -0.804 18.222 19.000 0.044 0.000 0.801 99 A HN 0.734 nan 8.150 nan 0.000 0.452 100 G N -2.256 106.699 108.800 0.258 0.000 3.042 100 G HA2 0.388 4.348 3.960 0.000 0.000 0.212 100 G HA3 0.388 4.348 3.960 0.000 0.000 0.212 100 G C 1.018 176.041 174.900 0.204 0.000 1.166 100 G CA 0.462 45.733 45.100 0.284 0.000 0.767 100 G HN 1.546 nan 8.290 nan 0.000 0.546 101 G N -1.268 107.639 108.800 0.178 0.000 2.179 101 G HA2 -0.222 3.738 3.960 0.000 0.000 0.220 101 G HA3 -0.222 3.738 3.960 0.000 0.000 0.220 101 G C 0.174 175.149 174.900 0.126 0.000 0.990 101 G CA 0.019 45.190 45.100 0.118 0.000 0.646 101 G HN 0.602 nan 8.290 nan 0.000 0.517 102 V N 1.572 121.592 119.914 0.177 0.000 2.546 102 V HA 0.689 4.809 4.120 0.000 0.000 0.284 102 V C 1.038 177.163 176.094 0.052 0.000 1.050 102 V CA -0.090 62.279 62.300 0.116 0.000 0.981 102 V CB 1.513 33.407 31.823 0.118 0.000 0.990 102 V HN 1.105 nan 8.190 nan 0.000 0.474 103 A N 5.252 128.081 122.820 0.015 0.000 2.404 103 A HA 0.579 4.899 4.320 0.000 0.000 0.273 103 A C -0.377 177.170 177.584 -0.061 0.000 1.144 103 A CA -0.135 51.890 52.037 -0.020 0.000 0.806 103 A CB 0.148 19.129 19.000 -0.032 0.000 1.080 103 A HN 0.671 nan 8.150 nan 0.000 0.509 104 V N 1.791 121.658 119.914 -0.078 0.000 2.604 104 V HA 0.703 4.823 4.120 0.000 0.000 0.305 104 V C 0.265 176.176 176.094 -0.304 0.000 1.043 104 V CA -0.018 62.198 62.300 -0.141 0.000 0.888 104 V CB 1.772 33.591 31.823 -0.007 0.000 0.995 104 V HN 1.201 nan 8.190 nan 0.000 0.429 105 A N 4.122 126.756 122.820 -0.309 0.000 2.943 105 A HA 0.497 4.817 4.320 0.000 0.000 0.327 105 A C -0.269 177.130 177.584 -0.309 0.000 1.141 105 A CA -0.543 51.273 52.037 -0.368 0.000 0.773 105 A CB 0.456 19.266 19.000 -0.316 0.000 1.143 105 A HN 0.547 nan 8.150 nan 0.000 0.463 106 K N 2.046 122.266 120.400 -0.298 0.000 2.312 106 K HA 0.126 4.446 4.320 0.000 0.000 0.287 106 K C -0.838 175.722 176.600 -0.067 0.000 1.062 106 K CA -0.080 56.162 56.287 -0.075 0.000 0.934 106 K CB 0.095 32.661 32.500 0.110 0.000 1.027 106 K HN 0.870 nan 8.250 nan 0.000 0.478 107 H N 2.186 121.175 119.070 -0.134 0.000 2.562 107 H HA 0.420 4.976 4.556 0.000 0.000 0.314 107 H C -0.222 175.081 175.328 -0.043 0.000 1.079 107 H CA -0.491 55.446 56.048 -0.185 0.000 1.349 107 H CB 0.967 30.678 29.762 -0.084 0.000 1.432 107 H HN 0.839 nan 8.280 nan 0.000 0.479 108 G N 3.590 112.354 108.800 -0.061 0.000 2.687 108 G HA2 0.183 4.143 3.960 0.000 0.000 0.291 108 G HA3 0.183 4.143 3.960 0.000 0.000 0.291 108 G C -1.584 173.506 174.900 0.317 0.000 1.420 108 G CA -0.651 44.586 45.100 0.228 0.000 0.796 108 G HN 0.628 nan 8.290 nan 0.000 0.485 109 N N -1.178 117.764 118.700 0.403 0.000 2.972 109 N HA 0.404 5.144 4.740 0.000 0.000 0.262 109 N C -0.780 174.961 175.510 0.384 0.000 1.478 109 N CA -0.734 52.579 53.050 0.438 0.000 0.841 109 N CB 2.014 40.604 38.487 0.172 0.000 1.512 109 N HN 0.482 nan 8.380 nan 0.000 0.548 110 R N 0.235 120.962 120.500 0.378 0.000 2.531 110 R HA 0.631 4.971 4.340 0.000 0.000 0.273 110 R C -0.325 176.045 176.300 0.116 0.000 1.070 110 R CA -0.532 55.694 56.100 0.209 0.000 1.112 110 R CB 0.710 31.145 30.300 0.224 0.000 1.049 110 R HN 0.560 nan 8.270 nan 0.000 0.508 111 A N 1.349 124.212 122.820 0.072 0.000 2.304 111 A HA 0.487 4.807 4.320 0.000 0.000 0.301 111 A C 1.037 178.639 177.584 0.029 0.000 1.132 111 A CA 0.043 52.107 52.037 0.044 0.000 0.819 111 A CB 1.141 20.160 19.000 0.032 0.000 1.094 111 A HN 0.901 nan 8.150 nan 0.000 0.492 112 A N 1.753 124.583 122.820 0.016 0.000 1.863 112 A HA -0.068 4.252 4.320 0.000 0.000 0.218 112 A C 1.210 178.798 177.584 0.006 0.000 1.233 112 A CA 2.435 54.475 52.037 0.005 0.000 0.655 112 A CB -0.646 18.352 19.000 -0.004 0.000 0.839 112 A HN 1.708 nan 8.150 nan 0.000 0.454 113 S N -1.513 114.190 115.700 0.006 0.000 2.593 113 S HA 0.503 4.973 4.470 0.000 0.000 0.178 113 S C -0.556 174.047 174.600 0.005 0.000 1.114 113 S CA 0.034 58.237 58.200 0.005 0.000 1.199 113 S CB 0.040 63.241 63.200 0.001 0.000 1.564 113 S HN 1.345 nan 8.310 nan 0.000 0.407 114 S N 0.495 116.200 115.700 0.008 0.000 2.535 114 S HA 0.567 5.037 4.470 0.000 0.000 0.272 114 S C -0.995 173.611 174.600 0.010 0.000 1.149 114 S CA -1.051 57.153 58.200 0.007 0.000 0.888 114 S CB 1.300 64.504 63.200 0.007 0.000 1.110 114 S HN 0.353 nan 8.310 nan 0.000 0.463 115 R N 1.484 121.987 120.500 0.005 0.000 2.891 115 R HA 0.548 4.888 4.340 0.000 0.000 0.248 115 R C 0.695 176.994 176.300 -0.001 0.000 1.439 115 R CA 0.209 56.311 56.100 0.003 0.000 1.288 115 R CB 0.095 30.394 30.300 -0.003 0.000 1.212 115 R HN 0.829 nan 8.270 nan 0.000 0.605 116 A N 1.264 124.087 122.820 0.006 0.000 2.591 116 A HA 0.214 4.534 4.320 0.000 0.000 0.204 116 A C 0.966 178.557 177.584 0.012 0.000 1.410 116 A CA 0.055 52.094 52.037 0.004 0.000 1.065 116 A CB 0.577 19.582 19.000 0.007 0.000 1.362 116 A HN 0.615 nan 8.150 nan 0.000 0.566 117 G N 0.572 109.388 108.800 0.027 0.000 2.720 117 G HA2 0.285 4.246 3.960 0.000 0.000 0.237 117 G HA3 0.285 4.246 3.960 0.000 0.000 0.237 117 G C 1.209 176.126 174.900 0.028 0.000 1.239 117 G CA 0.514 45.646 45.100 0.053 0.000 0.847 117 G HN 0.842 nan 8.290 nan 0.000 0.593 118 S N 0.329 116.068 115.700 0.065 0.000 2.382 118 S HA -0.093 4.377 4.470 0.000 0.000 0.228 118 S C 2.523 176.999 174.600 -0.206 0.000 1.027 118 S CA 1.504 59.696 58.200 -0.013 0.000 0.991 118 S CB -0.395 62.884 63.200 0.132 0.000 0.823 118 S HN 1.069 nan 8.310 nan 0.000 0.469 119 A N 2.366 125.167 122.820 -0.032 0.000 1.930 119 A HA -0.089 4.231 4.320 0.000 0.000 0.217 119 A C 1.989 179.436 177.584 -0.228 0.000 1.175 119 A CA 1.485 53.405 52.037 -0.195 0.000 0.627 119 A CB -0.699 18.274 19.000 -0.044 0.000 0.815 119 A HN 0.524 nan 8.150 nan 0.000 0.443 120 D N -0.292 120.043 120.400 -0.108 0.000 2.097 120 D HA -0.135 4.505 4.640 0.000 0.000 0.195 120 D C 1.902 178.142 176.300 -0.099 0.000 0.989 120 D CA 1.431 55.380 54.000 -0.085 0.000 0.827 120 D CB -0.360 40.421 40.800 -0.032 0.000 0.966 120 D HN 0.370 nan 8.370 nan 0.000 0.456 121 L N 1.047 122.206 121.223 -0.105 0.000 1.994 121 L HA -0.125 4.215 4.340 0.000 0.000 0.208 121 L C 2.314 179.111 176.870 -0.122 0.000 1.071 121 L CA 1.399 56.181 54.840 -0.096 0.000 0.745 121 L CB -0.654 41.352 42.059 -0.087 0.000 0.892 121 L HN -0.020 nan 8.230 nan 0.000 0.431 122 L N -0.546 120.550 121.223 -0.211 0.000 2.083 122 L HA -0.226 4.114 4.340 0.000 0.000 0.209 122 L C 2.603 179.398 176.870 -0.125 0.000 1.083 122 L CA 1.695 56.415 54.840 -0.201 0.000 0.752 122 L CB -0.586 41.237 42.059 -0.393 0.000 0.899 122 L HN 0.481 nan 8.230 nan 0.000 0.433 123 E N 0.392 120.505 120.200 -0.144 0.000 2.110 123 E HA -0.231 4.119 4.350 0.000 0.000 0.193 123 E C 2.175 178.740 176.600 -0.058 0.000 0.988 123 E CA 1.101 57.443 56.400 -0.097 0.000 0.804 123 E CB 0.024 29.654 29.700 -0.116 0.000 0.745 123 E HN 0.461 nan 8.360 nan 0.000 0.458 124 A N 0.643 123.429 122.820 -0.056 0.000 2.067 124 A HA -0.056 4.264 4.320 0.000 0.000 0.219 124 A C 1.947 179.523 177.584 -0.014 0.000 1.158 124 A CA 0.692 52.710 52.037 -0.031 0.000 0.661 124 A CB -0.274 18.707 19.000 -0.031 0.000 0.801 124 A HN 0.306 nan 8.150 nan 0.000 0.452 125 L N -1.573 119.640 121.223 -0.016 0.000 2.592 125 L HA 0.247 4.587 4.340 0.000 0.000 0.227 125 L C 1.580 178.458 176.870 0.013 0.000 1.127 125 L CA 0.558 55.407 54.840 0.015 0.000 0.884 125 L CB 0.054 42.124 42.059 0.018 0.000 1.065 125 L HN 0.558 nan 8.230 nan 0.000 0.457 126 G N -0.521 108.278 108.800 -0.002 0.000 2.184 126 G HA2 -0.222 3.738 3.960 0.000 0.000 0.206 126 G HA3 -0.222 3.738 3.960 0.000 0.000 0.206 126 G C 0.213 175.110 174.900 -0.005 0.000 0.995 126 G CA -0.242 44.855 45.100 -0.004 0.000 0.651 126 G HN 0.028 nan 8.290 nan 0.000 0.511 127 V N 1.975 121.892 119.914 0.006 0.000 2.521 127 V HA 0.373 4.493 4.120 0.000 0.000 0.286 127 V C 0.451 176.544 176.094 -0.001 0.000 1.034 127 V CA 0.132 62.448 62.300 0.026 0.000 1.045 127 V CB 1.592 33.476 31.823 0.101 0.000 0.974 127 V HN 0.363 nan 8.190 nan 0.000 0.480 128 D N 4.541 124.938 120.400 -0.005 0.000 2.393 128 D HA 0.169 4.809 4.640 0.000 0.000 0.232 128 D C 0.950 177.271 176.300 0.035 0.000 1.192 128 D CA -0.047 53.953 54.000 0.000 0.000 0.882 128 D CB 0.848 41.643 40.800 -0.009 0.000 1.038 128 D HN 0.467 nan 8.370 nan 0.000 0.499 129 L N 2.675 123.906 121.223 0.014 0.000 2.450 129 L HA -0.051 4.289 4.340 0.000 0.000 0.224 129 L C 1.732 178.695 176.870 0.154 0.000 1.149 129 L CA 0.649 55.511 54.840 0.037 0.000 0.816 129 L CB -0.040 41.882 42.059 -0.229 0.000 0.932 129 L HN 0.362 nan 8.230 nan 0.000 0.449 130 E N 0.609 120.867 120.200 0.096 0.000 2.489 130 E HA 0.131 4.482 4.350 0.000 0.000 0.193 130 E C 0.904 177.534 176.600 0.050 0.000 1.057 130 E CA 0.065 56.516 56.400 0.084 0.000 0.866 130 E CB 0.150 29.880 29.700 0.050 0.000 0.916 130 E HN 0.326 nan 8.360 nan 0.000 0.500 131 A N 3.890 126.744 122.820 0.057 0.000 2.540 131 A HA 0.117 4.437 4.320 0.000 0.000 0.239 131 A C -1.933 175.662 177.584 0.018 0.000 1.061 131 A CA -0.770 51.289 52.037 0.038 0.000 0.758 131 A CB -0.313 18.719 19.000 0.055 0.000 0.991 131 A HN -0.071 nan 8.150 nan 0.000 0.502 132 P HA 0.163 nan 4.420 nan 0.000 0.272 132 P C -2.265 175.005 177.300 -0.050 0.000 1.223 132 P CA -1.371 61.695 63.100 -0.057 0.000 0.784 132 P CB 0.293 31.969 31.700 -0.039 0.000 0.923 133 P HA -0.208 nan 4.420 nan 0.000 0.216 133 P C 1.561 178.915 177.300 0.090 0.000 1.154 133 P CA 1.635 64.685 63.100 -0.083 0.000 0.865 133 P CB -0.031 31.505 31.700 -0.273 0.000 0.789 134 E N -0.702 119.523 120.200 0.041 0.000 2.110 134 E HA -0.261 4.089 4.350 0.000 0.000 0.193 134 E C 2.171 178.836 176.600 0.109 0.000 0.988 134 E CA 0.902 57.343 56.400 0.068 0.000 0.804 134 E CB -0.109 29.614 29.700 0.039 0.000 0.745 134 E HN -0.120 nan 8.360 nan 0.000 0.458 135 R N 0.176 120.742 120.500 0.110 0.000 2.090 135 R HA -0.051 4.289 4.340 0.000 0.000 0.228 135 R C 2.145 178.601 176.300 0.261 0.000 1.110 135 R CA 1.202 57.408 56.100 0.177 0.000 0.973 135 R CB -0.613 29.754 30.300 0.112 0.000 0.869 135 R HN 0.106 nan 8.270 nan 0.000 0.440 136 V N -0.057 119.986 119.914 0.214 0.000 2.407 136 V HA -0.114 4.007 4.120 0.000 0.000 0.248 136 V C 2.228 178.426 176.094 0.174 0.000 1.055 136 V CA 2.021 64.469 62.300 0.247 0.000 1.049 136 V CB -1.030 30.972 31.823 0.297 0.000 0.662 136 V HN 0.596 nan 8.190 nan 0.000 0.455 137 G N -0.442 108.446 108.800 0.147 0.000 2.418 137 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 137 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 137 G C 1.449 176.395 174.900 0.078 0.000 1.158 137 G CA 0.773 45.918 45.100 0.076 0.000 0.771 137 G HN 0.574 nan 8.290 nan 0.000 0.545 138 E N 0.555 120.847 120.200 0.155 0.000 2.153 138 E HA -0.025 4.325 4.350 0.000 0.000 0.194 138 E C 2.886 179.512 176.600 0.043 0.000 0.988 138 E CA 0.670 57.194 56.400 0.207 0.000 0.811 138 E CB -0.145 29.784 29.700 0.381 0.000 0.746 138 E HN 0.427 nan 8.360 nan 0.000 0.466 139 A N 1.283 124.039 122.820 -0.106 0.000 1.898 139 A HA -0.155 4.165 4.320 0.000 0.000 0.216 139 A C 2.175 179.621 177.584 -0.231 0.000 1.181 139 A CA 0.979 52.666 52.037 -0.585 0.000 0.620 139 A CB -0.531 18.369 19.000 -0.166 0.000 0.819 139 A HN 0.122 nan 8.150 nan 0.000 0.442 140 I N -0.360 120.158 120.570 -0.087 0.000 2.226 140 I HA -0.274 3.896 4.170 0.000 0.000 0.245 140 I C 2.514 178.595 176.117 -0.059 0.000 1.100 140 I CA 1.680 62.928 61.300 -0.088 0.000 1.374 140 I CB -0.481 37.457 38.000 -0.103 0.000 1.057 140 I HN 0.432 nan 8.210 nan 0.000 0.413 141 E N 0.581 120.762 120.200 -0.031 0.000 2.072 141 E HA -0.215 4.135 4.350 0.000 0.000 0.191 141 E C 2.091 178.693 176.600 0.003 0.000 0.985 141 E CA 1.239 57.645 56.400 0.010 0.000 0.801 141 E CB -0.028 29.708 29.700 0.059 0.000 0.750 141 E HN 0.555 nan 8.360 nan 0.000 0.452 142 E N 0.178 120.360 120.200 -0.030 0.000 2.086 142 E HA -0.015 4.335 4.350 0.000 0.000 0.190 142 E C 2.013 178.584 176.600 -0.048 0.000 0.975 142 E CA 0.549 56.938 56.400 -0.017 0.000 0.813 142 E CB 0.250 29.973 29.700 0.038 0.000 0.768 142 E HN 0.192 nan 8.360 nan 0.000 0.457 143 L N -1.045 120.104 121.223 -0.124 0.000 2.556 143 L HA 0.267 4.607 4.340 0.000 0.000 0.226 143 L C 1.445 178.316 176.870 0.003 0.000 1.089 143 L CA 0.443 55.248 54.840 -0.058 0.000 0.864 143 L CB 0.423 42.433 42.059 -0.081 0.000 1.067 143 L HN 0.317 nan 8.230 nan 0.000 0.477 144 G N 0.606 109.402 108.800 -0.008 0.000 2.176 144 G HA2 -0.327 3.633 3.960 0.000 0.000 0.253 144 G HA3 -0.327 3.633 3.960 0.000 0.000 0.253 144 G C -0.114 174.818 174.900 0.053 0.000 0.979 144 G CA 0.080 45.192 45.100 0.019 0.000 0.641 144 G HN 0.225 nan 8.290 nan 0.000 0.530 145 F N 0.405 120.267 119.950 -0.146 0.000 2.591 145 F HA 0.672 5.199 4.527 0.000 0.000 0.309 145 F C 0.013 175.627 175.800 -0.311 0.000 1.098 145 F CA 0.115 57.973 58.000 -0.237 0.000 0.937 145 F CB 2.026 40.836 39.000 -0.316 0.000 1.250 145 F HN 0.564 nan 8.300 nan 0.000 0.447 146 G N 3.873 111.872 108.800 -1.334 0.000 2.759 146 G HA2 0.475 4.435 3.960 0.000 0.000 0.297 146 G HA3 0.475 4.435 3.960 0.000 0.000 0.297 146 G C -2.622 171.724 174.900 -0.923 0.000 1.434 146 G CA -0.661 43.948 45.100 -0.819 0.000 0.980 146 G HN 0.612 nan 8.290 nan 0.000 0.531 147 F N 2.883 122.554 119.950 -0.465 0.000 2.411 147 F HA 0.661 5.188 4.527 0.000 0.000 0.352 147 F C -0.378 175.465 175.800 0.071 0.000 1.123 147 F CA -1.451 56.440 58.000 -0.181 0.000 1.044 147 F CB 1.322 40.376 39.000 0.090 0.000 1.135 147 F HN 0.271 nan 8.300 nan 0.000 0.461 148 L N 7.911 128.747 121.223 -0.646 0.000 2.288 148 L HA 0.230 4.570 4.340 0.000 0.000 0.283 148 L C -0.597 176.023 176.870 -0.418 0.000 1.072 148 L CA -0.644 53.938 54.840 -0.430 0.000 0.862 148 L CB 0.038 41.698 42.059 -0.666 0.000 1.245 148 L HN 0.510 nan 8.230 nan 0.000 0.432 149 F N 3.007 122.803 119.950 -0.257 0.000 2.471 149 F HA 0.279 4.806 4.527 0.000 0.000 0.365 149 F C 1.312 177.197 175.800 0.141 0.000 1.095 149 F CA -0.673 57.281 58.000 -0.076 0.000 1.174 149 F CB 1.008 40.110 39.000 0.170 0.000 1.105 149 F HN 0.593 nan 8.300 nan 0.000 0.535 150 A N 6.557 129.424 122.820 0.078 0.000 1.896 150 A HA -0.292 4.028 4.320 0.000 0.000 0.220 150 A C 2.311 179.775 177.584 -0.201 0.000 1.206 150 A CA 2.194 54.259 52.037 0.047 0.000 0.647 150 A CB -0.452 18.563 19.000 0.026 0.000 0.828 150 A HN 0.761 nan 8.150 nan 0.000 0.455 151 R N -0.837 119.227 120.500 -0.726 0.000 2.105 151 R HA -0.049 4.291 4.340 0.000 0.000 0.239 151 R C 1.964 178.022 176.300 -0.402 0.000 1.135 151 R CA 1.342 57.078 56.100 -0.607 0.000 0.967 151 R CB -0.960 28.814 30.300 -0.877 0.000 0.861 151 R HN 0.412 nan 8.270 nan 0.000 0.442 152 V N -0.421 119.246 119.914 -0.411 0.000 2.379 152 V HA -0.161 3.959 4.120 0.000 0.000 0.245 152 V C 1.627 177.481 176.094 -0.400 0.000 1.044 152 V CA 1.615 63.736 62.300 -0.298 0.000 1.036 152 V CB -0.392 31.297 31.823 -0.225 0.000 0.664 152 V HN 0.159 nan 8.190 nan 0.000 0.453 153 F N -0.747 119.062 119.950 -0.235 0.000 2.416 153 F HA 0.093 4.620 4.527 0.000 0.000 0.296 153 F C 1.127 176.667 175.800 -0.433 0.000 1.099 153 F CA 0.789 58.577 58.000 -0.354 0.000 1.427 153 F CB -0.113 38.591 39.000 -0.492 0.000 1.079 153 F HN 0.245 nan 8.300 nan 0.000 0.536 154 H N -0.925 118.183 119.070 0.064 0.000 2.541 154 H HA 0.206 4.762 4.556 0.000 0.000 0.246 154 H C -1.959 173.340 175.328 -0.049 0.000 1.341 154 H CA -1.817 54.245 56.048 0.023 0.000 1.469 154 H CB 0.664 30.456 29.762 0.051 0.000 1.472 154 H HN -0.140 nan 8.280 nan 0.000 0.503 155 P HA -0.298 nan 4.420 nan 0.000 0.216 155 P C 1.571 178.877 177.300 0.010 0.000 1.154 155 P CA 1.817 64.905 63.100 -0.020 0.000 0.865 155 P CB 0.317 32.018 31.700 0.002 0.000 0.789 156 A N -1.203 121.663 122.820 0.076 0.000 2.076 156 A HA -0.201 4.119 4.320 0.000 0.000 0.220 156 A C 1.975 179.564 177.584 0.009 0.000 1.160 156 A CA 1.569 53.681 52.037 0.125 0.000 0.653 156 A CB -1.296 17.757 19.000 0.088 0.000 0.801 156 A HN 0.071 nan 8.150 nan 0.000 0.455 157 M N -0.878 118.677 119.600 -0.075 0.000 2.358 157 M HA -0.094 4.386 4.480 0.000 0.000 0.264 157 M C 1.976 178.138 176.300 -0.230 0.000 1.064 157 M CA 1.249 56.434 55.300 -0.191 0.000 1.093 157 M CB -1.210 31.295 32.600 -0.158 0.000 1.401 157 M HN 0.571 nan 8.290 nan 0.000 0.440 158 R N -0.548 119.786 120.500 -0.277 0.000 2.115 158 R HA -0.136 4.204 4.340 0.000 0.000 0.230 158 R C 1.890 177.908 176.300 -0.470 0.000 1.111 158 R CA 1.153 57.017 56.100 -0.393 0.000 0.976 158 R CB 0.038 30.043 30.300 -0.491 0.000 0.870 158 R HN 0.480 nan 8.270 nan 0.000 0.445 159 H N -1.331 117.682 119.070 -0.096 0.000 2.520 159 H HA 0.049 4.605 4.556 0.000 0.000 0.279 159 H C 2.099 177.358 175.328 -0.116 0.000 0.990 159 H CA 0.896 56.894 56.048 -0.084 0.000 1.288 159 H CB 0.314 30.039 29.762 -0.062 0.000 1.446 159 H HN 0.046 nan 8.280 nan 0.000 0.538 160 V N 1.620 121.476 119.914 -0.098 0.000 2.427 160 V HA -0.213 3.907 4.120 0.000 0.000 0.248 160 V C 2.857 178.816 176.094 -0.225 0.000 1.051 160 V CA 1.372 63.529 62.300 -0.239 0.000 1.048 160 V CB -0.917 30.564 31.823 -0.570 0.000 0.666 160 V HN 0.416 nan 8.190 nan 0.000 0.456 161 A N 1.370 124.067 122.820 -0.205 0.000 1.884 161 A HA -0.188 4.132 4.320 0.000 0.000 0.219 161 A C 0.863 178.392 177.584 -0.092 0.000 1.197 161 A CA 2.428 54.375 52.037 -0.149 0.000 0.637 161 A CB -2.059 16.868 19.000 -0.121 0.000 0.827 161 A HN 0.586 nan 8.150 nan 0.000 0.450 162 P HA -0.070 nan 4.420 nan 0.000 0.218 162 P C 1.566 178.848 177.300 -0.031 0.000 1.149 162 P CA 1.410 64.488 63.100 -0.037 0.000 0.817 162 P CB -0.209 31.478 31.700 -0.022 0.000 0.785 163 V N 0.954 120.845 119.914 -0.037 0.000 2.307 163 V HA -0.182 3.938 4.120 0.000 0.000 0.245 163 V C 2.854 178.933 176.094 -0.025 0.000 1.045 163 V CA 1.816 64.102 62.300 -0.023 0.000 1.024 163 V CB -1.086 30.727 31.823 -0.017 0.000 0.651 163 V HN 0.055 nan 8.190 nan 0.000 0.449 164 R N 0.246 120.716 120.500 -0.049 0.000 2.081 164 R HA -0.102 4.238 4.340 0.000 0.000 0.235 164 R C 2.449 178.731 176.300 -0.031 0.000 1.131 164 R CA 1.456 57.534 56.100 -0.037 0.000 0.960 164 R CB -0.631 29.630 30.300 -0.066 0.000 0.856 164 R HN 0.529 nan 8.270 nan 0.000 0.436 165 A N 1.319 124.118 122.820 -0.034 0.000 1.877 165 A HA -0.177 4.143 4.320 0.000 0.000 0.216 165 A C 1.958 179.532 177.584 -0.017 0.000 1.186 165 A CA 1.308 53.331 52.037 -0.024 0.000 0.620 165 A CB -0.249 18.738 19.000 -0.021 0.000 0.822 165 A HN 0.154 nan 8.150 nan 0.000 0.443 166 E N 0.068 120.259 120.200 -0.015 0.000 2.047 166 E HA -0.125 4.225 4.350 0.000 0.000 0.191 166 E C 2.110 178.704 176.600 -0.009 0.000 0.987 166 E CA 0.948 57.342 56.400 -0.010 0.000 0.799 166 E CB -0.473 29.223 29.700 -0.007 0.000 0.752 166 E HN 0.667 nan 8.360 nan 0.000 0.449 167 L N -0.187 121.030 121.223 -0.009 0.000 2.079 167 L HA -0.136 4.205 4.340 0.000 0.000 0.210 167 L C 1.740 178.601 176.870 -0.014 0.000 1.081 167 L CA 1.133 55.968 54.840 -0.009 0.000 0.752 167 L CB -0.670 41.387 42.059 -0.004 0.000 0.896 167 L HN 0.330 nan 8.230 nan 0.000 0.433 168 G N 0.068 108.856 108.800 -0.019 0.000 2.168 168 G HA2 -0.260 3.700 3.960 0.000 0.000 0.257 168 G HA3 -0.260 3.700 3.960 0.000 0.000 0.257 168 G C 0.208 175.086 174.900 -0.036 0.000 0.997 168 G CA 0.461 45.547 45.100 -0.024 0.000 0.708 168 G HN 0.405 nan 8.290 nan 0.000 0.520 169 V N -4.409 115.480 119.914 -0.042 0.000 3.126 169 V HA 0.846 4.966 4.120 0.000 0.000 0.314 169 V C 0.577 176.618 176.094 -0.088 0.000 1.138 169 V CA -1.943 60.319 62.300 -0.064 0.000 1.034 169 V CB 1.430 33.224 31.823 -0.048 0.000 1.075 169 V HN 0.307 nan 8.190 nan 0.000 0.442 170 R N 1.200 121.609 120.500 -0.151 0.000 2.590 170 R HA 0.555 4.895 4.340 0.000 0.000 0.274 170 R C 0.232 176.464 176.300 -0.114 0.000 1.061 170 R CA 0.594 56.570 56.100 -0.206 0.000 1.081 170 R CB 0.864 30.900 30.300 -0.439 0.000 0.984 170 R HN 1.095 nan 8.270 nan 0.000 0.448 171 T N -2.661 111.848 114.554 -0.075 0.000 2.804 171 T HA 0.115 4.465 4.350 0.000 0.000 0.290 171 T C 0.786 175.446 174.700 -0.067 0.000 1.099 171 T CA -0.909 61.175 62.100 -0.027 0.000 1.011 171 T CB 1.187 70.095 68.868 0.068 0.000 1.291 171 T HN 0.230 nan 8.240 nan 0.000 0.523 172 V N 0.067 119.906 119.914 -0.124 0.000 2.688 172 V HA 0.001 4.121 4.120 0.000 0.000 0.256 172 V C 1.845 177.768 176.094 -0.284 0.000 1.084 172 V CA 1.655 63.812 62.300 -0.239 0.000 1.103 172 V CB -1.353 30.280 31.823 -0.317 0.000 0.688 172 V HN 0.791 nan 8.190 nan 0.000 0.480 173 F N 0.964 120.851 119.950 -0.105 0.000 2.365 173 F HA -0.059 4.468 4.527 0.000 0.000 0.300 173 F C 2.008 177.745 175.800 -0.105 0.000 1.090 173 F CA 1.817 59.755 58.000 -0.103 0.000 1.408 173 F CB -0.730 38.218 39.000 -0.088 0.000 1.060 173 F HN 0.317 nan 8.300 nan 0.000 0.534 174 N N -0.026 118.697 118.700 0.038 0.000 2.244 174 N HA -0.105 4.635 4.740 0.000 0.000 0.183 174 N C 1.721 177.205 175.510 -0.044 0.000 1.016 174 N CA 0.945 53.997 53.050 0.003 0.000 0.866 174 N CB -0.199 38.270 38.487 -0.029 0.000 0.980 174 N HN 0.233 nan 8.380 nan 0.000 0.430 175 L N -0.325 120.812 121.223 -0.144 0.000 2.202 175 L HA 0.082 4.422 4.340 0.000 0.000 0.205 175 L C 1.762 178.539 176.870 -0.156 0.000 1.083 175 L CA 0.474 55.174 54.840 -0.235 0.000 0.790 175 L CB -0.269 41.538 42.059 -0.420 0.000 0.942 175 L HN 0.145 nan 8.230 nan 0.000 0.452 176 L N -0.155 120.984 121.223 -0.140 0.000 2.141 176 L HA -0.071 4.269 4.340 0.000 0.000 0.209 176 L C 2.678 179.542 176.870 -0.011 0.000 1.094 176 L CA 1.126 55.903 54.840 -0.105 0.000 0.763 176 L CB -1.097 40.851 42.059 -0.184 0.000 0.908 176 L HN 0.299 nan 8.230 nan 0.000 0.437 177 G N 1.091 109.905 108.800 0.023 0.000 2.514 177 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 177 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 177 G C -0.706 174.233 174.900 0.067 0.000 1.198 177 G CA 0.880 45.993 45.100 0.023 0.000 0.780 177 G HN 0.308 nan 8.290 nan 0.000 0.565 178 P HA 0.008 nan 4.420 nan 0.000 0.220 178 P C 1.651 178.979 177.300 0.047 0.000 1.148 178 P CA 0.723 63.864 63.100 0.069 0.000 0.803 178 P CB -0.073 31.627 31.700 -0.000 0.000 0.782 179 L N -1.461 119.755 121.223 -0.011 0.000 2.591 179 L HA 0.090 4.430 4.340 0.000 0.000 0.228 179 L C 0.827 177.705 176.870 0.013 0.000 1.133 179 L CA 0.801 55.606 54.840 -0.058 0.000 0.880 179 L CB -0.743 41.265 42.059 -0.086 0.000 1.033 179 L HN 0.070 nan 8.230 nan 0.000 0.450 180 T N -4.560 110.058 114.554 0.108 0.000 3.355 180 T HA 0.093 4.443 4.350 0.000 0.000 0.276 180 T C 0.454 175.195 174.700 0.068 0.000 1.003 180 T CA -0.551 61.619 62.100 0.117 0.000 0.943 180 T CB -0.411 68.518 68.868 0.102 0.000 1.158 180 T HN 0.077 nan 8.240 nan 0.000 0.513 181 N N 3.735 122.441 118.700 0.010 0.000 2.374 181 N HA 0.004 4.744 4.740 0.000 0.000 0.269 181 N C -1.289 174.023 175.510 -0.329 0.000 1.310 181 N CA -0.772 52.118 53.050 -0.266 0.000 0.877 181 N CB 1.258 39.726 38.487 -0.032 0.000 1.096 181 N HN 0.228 nan 8.380 nan 0.000 0.484 182 P HA 0.000 nan 4.420 nan 0.000 0.242 182 P C 0.227 177.237 177.300 -0.482 0.000 1.197 182 P CA 0.499 63.280 63.100 -0.531 0.000 0.765 182 P CB 0.235 31.428 31.700 -0.845 0.000 0.936 183 A N -0.486 122.061 122.820 -0.455 0.000 2.390 183 A HA 0.535 4.855 4.320 0.000 0.000 0.232 183 A C 1.502 178.964 177.584 -0.204 0.000 1.233 183 A CA 0.444 52.285 52.037 -0.327 0.000 0.907 183 A CB -0.721 18.067 19.000 -0.354 0.000 0.967 183 A HN 0.209 nan 8.150 nan 0.000 0.512 184 G N -0.769 107.935 108.800 -0.161 0.000 2.160 184 G HA2 0.098 4.058 3.960 0.000 0.000 0.244 184 G HA3 0.098 4.058 3.960 0.000 0.000 0.244 184 G C 0.483 175.342 174.900 -0.068 0.000 1.022 184 G CA 0.284 45.335 45.100 -0.081 0.000 0.741 184 G HN 1.676 nan 8.290 nan 0.000 0.508 185 A N 0.358 123.110 122.820 -0.113 0.000 2.587 185 A HA 0.422 4.742 4.320 0.000 0.000 0.235 185 A C 1.340 178.875 177.584 -0.082 0.000 1.044 185 A CA 1.265 53.184 52.037 -0.197 0.000 0.754 185 A CB 0.262 19.024 19.000 -0.397 0.000 0.968 185 A HN 1.008 nan 8.150 nan 0.000 0.509 186 D N 0.286 120.620 120.400 -0.110 0.000 2.469 186 D HA 0.388 5.028 4.640 0.000 0.000 0.213 186 D C 0.154 176.475 176.300 0.035 0.000 1.135 186 D CA 0.688 54.718 54.000 0.049 0.000 0.834 186 D CB 0.068 40.883 40.800 0.024 0.000 1.009 186 D HN 0.630 nan 8.370 nan 0.000 0.507 187 A N 0.029 122.726 122.820 -0.206 0.000 2.371 187 A HA 0.672 4.992 4.320 0.000 0.000 0.311 187 A C -1.705 175.653 177.584 -0.377 0.000 1.068 187 A CA -0.623 51.333 52.037 -0.136 0.000 0.744 187 A CB 1.315 20.243 19.000 -0.120 0.000 1.239 187 A HN 0.092 nan 8.150 nan 0.000 0.435 188 Y N 0.046 120.340 120.300 -0.011 0.000 2.553 188 Y HA 0.567 5.117 4.550 0.000 0.000 0.347 188 Y C -0.290 175.619 175.900 0.015 0.000 1.019 188 Y CA -0.876 57.224 58.100 0.001 0.000 1.032 188 Y CB 2.652 41.114 38.460 0.004 0.000 1.284 188 Y HN 0.367 nan 8.280 nan 0.000 0.466 189 V N 3.925 123.948 119.914 0.180 0.000 2.380 189 V HA 0.304 4.424 4.120 0.000 0.000 0.272 189 V C -0.951 175.230 176.094 0.146 0.000 1.011 189 V CA -0.533 61.844 62.300 0.128 0.000 0.826 189 V CB 1.279 33.148 31.823 0.076 0.000 1.040 189 V HN 0.597 nan 8.190 nan 0.000 0.441 190 L N 4.203 125.512 121.223 0.142 0.000 2.276 190 L HA 0.814 5.154 4.340 0.000 0.000 0.286 190 L C 0.774 177.683 176.870 0.065 0.000 1.024 190 L CA -0.185 54.720 54.840 0.108 0.000 0.826 190 L CB 1.005 43.097 42.059 0.056 0.000 1.211 190 L HN 0.666 nan 8.230 nan 0.000 0.422 191 G N 4.151 112.992 108.800 0.068 0.000 2.395 191 G HA2 0.508 4.468 3.960 0.000 0.000 0.283 191 G HA3 0.508 4.468 3.960 0.000 0.000 0.283 191 G C -0.687 174.250 174.900 0.061 0.000 1.178 191 G CA -0.325 44.816 45.100 0.068 0.000 0.837 191 G HN 0.565 nan 8.290 nan 0.000 0.518 192 V N 0.743 120.703 119.914 0.076 0.000 2.864 192 V HA 0.640 4.760 4.120 0.000 0.000 0.314 192 V C 0.879 177.037 176.094 0.108 0.000 1.073 192 V CA -0.988 61.303 62.300 -0.015 0.000 0.956 192 V CB 1.524 33.264 31.823 -0.137 0.000 1.023 192 V HN 0.805 nan 8.190 nan 0.000 0.435 193 F N 1.105 121.144 119.950 0.147 0.000 2.502 193 F HA 0.385 4.912 4.527 0.000 0.000 0.298 193 F C 0.871 176.800 175.800 0.215 0.000 1.111 193 F CA 0.327 58.439 58.000 0.186 0.000 1.445 193 F CB -0.793 38.260 39.000 0.088 0.000 1.081 193 F HN 0.716 nan 8.300 nan 0.000 0.558 194 S N -1.639 113.880 115.700 -0.301 0.000 2.536 194 S HA 0.484 4.954 4.470 0.000 0.000 0.271 194 S C -2.430 171.830 174.600 -0.567 0.000 1.134 194 S CA -1.385 56.624 58.200 -0.318 0.000 0.897 194 S CB 1.958 65.187 63.200 0.049 0.000 1.094 194 S HN -0.236 nan 8.310 nan 0.000 0.473 195 P HA -0.097 nan 4.420 nan 0.000 0.218 195 P C 1.069 178.202 177.300 -0.278 0.000 1.146 195 P CA 1.138 63.973 63.100 -0.442 0.000 0.813 195 P CB 0.038 31.565 31.700 -0.287 0.000 0.778 196 E N -1.935 118.092 120.200 -0.287 0.000 2.209 196 E HA -0.190 4.161 4.350 0.000 0.000 0.196 196 E C 1.096 177.386 176.600 -0.516 0.000 0.993 196 E CA 1.044 57.217 56.400 -0.379 0.000 0.819 196 E CB -0.403 29.048 29.700 -0.416 0.000 0.745 196 E HN 0.484 nan 8.360 nan 0.000 0.477 197 W N 0.162 121.289 121.300 -0.289 0.000 3.278 197 W HA 0.225 4.885 4.660 0.000 0.000 0.308 197 W C 1.611 178.001 176.519 -0.214 0.000 1.253 197 W CA -0.458 56.724 57.345 -0.272 0.000 1.759 197 W CB 0.145 29.351 29.460 -0.424 0.000 1.093 197 W HN -0.011 nan 8.180 nan 0.000 0.648 198 L N 0.230 121.425 121.223 -0.047 0.000 1.976 198 L HA -0.234 4.106 4.340 0.000 0.000 0.209 198 L C 2.670 179.518 176.870 -0.038 0.000 1.071 198 L CA 1.760 56.573 54.840 -0.044 0.000 0.746 198 L CB -1.143 40.871 42.059 -0.075 0.000 0.890 198 L HN 0.030 nan 8.230 nan 0.000 0.432 199 A N -0.012 122.768 122.820 -0.067 0.000 1.877 199 A HA -0.097 4.223 4.320 0.000 0.000 0.216 199 A C 0.001 177.566 177.584 -0.033 0.000 1.186 199 A CA 1.576 53.578 52.037 -0.058 0.000 0.620 199 A CB -1.795 17.158 19.000 -0.079 0.000 0.822 199 A HN 0.265 nan 8.150 nan 0.000 0.443 200 P HA -0.160 nan 4.420 nan 0.000 0.215 200 P C 1.651 179.003 177.300 0.087 0.000 1.153 200 P CA 1.262 64.381 63.100 0.031 0.000 0.853 200 P CB -0.118 31.598 31.700 0.027 0.000 0.788 201 M N -1.417 118.250 119.600 0.111 0.000 2.254 201 M HA -0.012 4.468 4.480 0.000 0.000 0.265 201 M C 2.060 178.349 176.300 -0.018 0.000 1.066 201 M CA 1.451 56.777 55.300 0.042 0.000 1.123 201 M CB -1.744 30.869 32.600 0.022 0.000 1.388 201 M HN -0.107 nan 8.290 nan 0.000 0.425 202 A N 0.277 123.088 122.820 -0.014 0.000 1.898 202 A HA -0.143 4.177 4.320 0.000 0.000 0.216 202 A C 2.082 179.654 177.584 -0.020 0.000 1.181 202 A CA 1.429 53.452 52.037 -0.024 0.000 0.620 202 A CB -0.574 18.413 19.000 -0.021 0.000 0.819 202 A HN 0.539 nan 8.150 nan 0.000 0.442 203 E N -0.204 119.989 120.200 -0.011 0.000 2.106 203 E HA -0.094 4.256 4.350 0.000 0.000 0.192 203 E C 2.298 178.893 176.600 -0.008 0.000 0.984 203 E CA 0.831 57.227 56.400 -0.006 0.000 0.806 203 E CB -0.263 29.435 29.700 -0.003 0.000 0.750 203 E HN 0.621 nan 8.360 nan 0.000 0.458 204 A N 1.305 124.119 122.820 -0.010 0.000 1.902 204 A HA -0.155 4.165 4.320 0.000 0.000 0.217 204 A C 2.192 179.746 177.584 -0.050 0.000 1.181 204 A CA 0.998 53.022 52.037 -0.022 0.000 0.623 204 A CB -0.604 18.382 19.000 -0.023 0.000 0.818 204 A HN 0.126 nan 8.150 nan 0.000 0.443 205 L N -0.909 120.266 121.223 -0.079 0.000 2.046 205 L HA -0.209 4.131 4.340 0.000 0.000 0.208 205 L C 2.675 179.522 176.870 -0.040 0.000 1.077 205 L CA 1.869 56.645 54.840 -0.106 0.000 0.747 205 L CB -0.515 41.458 42.059 -0.143 0.000 0.896 205 L HN 0.618 nan 8.230 nan 0.000 0.432 206 E N 0.522 120.710 120.200 -0.020 0.000 2.077 206 E HA -0.236 4.114 4.350 0.000 0.000 0.193 206 E C 2.313 178.913 176.600 0.001 0.000 0.989 206 E CA 1.142 57.542 56.400 -0.001 0.000 0.800 206 E CB 0.100 29.802 29.700 0.002 0.000 0.746 206 E HN 0.364 nan 8.360 nan 0.000 0.452 207 R N -0.079 120.419 120.500 -0.003 0.000 2.152 207 R HA -0.063 4.277 4.340 0.000 0.000 0.232 207 R C 2.255 178.557 176.300 0.003 0.000 1.117 207 R CA 0.910 57.011 56.100 0.002 0.000 0.981 207 R CB -0.157 30.145 30.300 0.003 0.000 0.870 207 R HN 0.281 nan 8.270 nan 0.000 0.451 208 L N -0.404 120.817 121.223 -0.003 0.000 2.599 208 L HA 0.148 4.488 4.340 0.000 0.000 0.230 208 L C 1.147 178.027 176.870 0.017 0.000 1.141 208 L CA 0.447 55.289 54.840 0.003 0.000 0.877 208 L CB 0.115 42.167 42.059 -0.011 0.000 1.009 208 L HN 0.453 nan 8.230 nan 0.000 0.447 209 G N -0.054 108.756 108.800 0.017 0.000 2.143 209 G HA2 -0.253 3.707 3.960 0.000 0.000 0.249 209 G HA3 -0.253 3.707 3.960 0.000 0.000 0.249 209 G C 0.321 175.246 174.900 0.041 0.000 0.981 209 G CA 0.084 45.199 45.100 0.025 0.000 0.665 209 G HN 0.502 nan 8.290 nan 0.000 0.528 210 A N -0.581 122.270 122.820 0.053 0.000 2.252 210 A HA 0.960 5.280 4.320 0.000 0.000 0.305 210 A C 0.615 178.252 177.584 0.089 0.000 1.097 210 A CA -0.026 52.076 52.037 0.108 0.000 0.849 210 A CB 0.782 19.883 19.000 0.167 0.000 1.142 210 A HN 0.602 nan 8.150 nan 0.000 0.499 211 R N -1.152 119.425 120.500 0.128 0.000 2.905 211 R HA 0.782 5.122 4.340 0.000 0.000 0.260 211 R C 0.067 176.440 176.300 0.122 0.000 1.086 211 R CA -0.191 55.959 56.100 0.083 0.000 0.978 211 R CB 1.990 32.307 30.300 0.030 0.000 1.215 211 R HN 1.701 nan 8.270 nan 0.000 0.480 212 G N 0.115 108.960 108.800 0.075 0.000 2.280 212 G HA2 0.031 3.991 3.960 0.000 0.000 0.277 212 G HA3 0.031 3.991 3.960 0.000 0.000 0.277 212 G C -1.789 173.177 174.900 0.111 0.000 1.288 212 G CA -1.053 44.104 45.100 0.096 0.000 1.075 212 G HN 0.321 nan 8.290 nan 0.000 0.480 213 L N -0.110 121.189 121.223 0.128 0.000 2.362 213 L HA 0.722 5.063 4.340 0.000 0.000 0.271 213 L C -0.080 176.830 176.870 0.066 0.000 1.002 213 L CA -1.250 53.648 54.840 0.096 0.000 0.818 213 L CB 2.121 44.258 42.059 0.129 0.000 1.298 213 L HN 0.456 nan 8.230 nan 0.000 0.420 214 V N 3.194 123.118 119.914 0.016 0.000 2.398 214 V HA 0.559 4.679 4.120 0.000 0.000 0.286 214 V C -0.024 176.073 176.094 0.005 0.000 1.026 214 V CA -0.613 61.694 62.300 0.011 0.000 0.868 214 V CB 1.914 33.730 31.823 -0.012 0.000 0.982 214 V HN 0.548 nan 8.190 nan 0.000 0.443 215 V N 2.003 121.938 119.914 0.036 0.000 3.001 215 V HA 0.841 4.961 4.120 0.000 0.000 0.314 215 V C -1.096 175.068 176.094 0.115 0.000 1.099 215 V CA -0.727 61.603 62.300 0.051 0.000 0.989 215 V CB 2.105 33.955 31.823 0.046 0.000 1.040 215 V HN 0.976 nan 8.190 nan 0.000 0.434 216 H N 0.998 120.063 119.070 -0.009 0.000 2.966 216 H HA 0.726 5.282 4.556 0.000 0.000 0.347 216 H C -0.227 175.108 175.328 0.012 0.000 1.048 216 H CA 0.375 56.424 56.048 0.001 0.000 1.295 216 H CB 1.964 31.719 29.762 -0.011 0.000 1.744 216 H HN 1.238 nan 8.280 nan 0.000 0.513 217 G N 3.356 111.861 108.800 -0.491 0.000 2.955 217 G HA2 0.335 4.295 3.960 0.000 0.000 0.336 217 G HA3 0.335 4.295 3.960 0.000 0.000 0.336 217 G C -0.708 173.992 174.900 -0.334 0.000 1.264 217 G CA -0.700 44.223 45.100 -0.296 0.000 1.096 217 G HN 0.878 nan 8.290 nan 0.000 0.486 218 E N 0.718 120.774 120.200 -0.240 0.000 2.238 218 E HA -0.301 4.049 4.350 0.000 0.000 0.219 218 E C 1.476 178.018 176.600 -0.097 0.000 1.275 218 E CA 0.840 57.183 56.400 -0.095 0.000 0.714 218 E CB -1.200 28.478 29.700 -0.038 0.000 1.154 218 E HN 1.519 nan 8.360 nan 0.000 0.363 219 G N -1.473 107.207 108.800 -0.199 0.000 2.284 219 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 219 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 219 G C 0.325 175.212 174.900 -0.022 0.000 1.009 219 G CA 0.011 45.127 45.100 0.027 0.000 0.625 219 G HN 0.950 nan 8.290 nan 0.000 0.501 220 A N 0.928 123.632 122.820 -0.192 0.000 2.293 220 A HA 0.590 4.910 4.320 0.000 0.000 0.302 220 A C 0.704 178.243 177.584 -0.076 0.000 1.119 220 A CA 0.562 52.553 52.037 -0.076 0.000 0.823 220 A CB 0.527 19.490 19.000 -0.061 0.000 1.097 220 A HN 0.717 nan 8.150 nan 0.000 0.491 221 D N 0.492 120.926 120.400 0.057 0.000 2.870 221 D HA 0.104 4.744 4.640 0.000 0.000 0.241 221 D C 0.009 176.341 176.300 0.054 0.000 1.234 221 D CA 0.044 54.105 54.000 0.102 0.000 0.844 221 D CB -0.307 40.583 40.800 0.149 0.000 1.051 221 D HN 0.718 nan 8.370 nan 0.000 0.469 222 E N -0.917 119.287 120.200 0.007 0.000 2.437 222 E HA 0.385 4.735 4.350 0.000 0.000 0.280 222 E C -1.127 175.464 176.600 -0.014 0.000 1.044 222 E CA -1.089 55.318 56.400 0.011 0.000 0.826 222 E CB 0.718 30.427 29.700 0.015 0.000 1.358 222 E HN -0.049 nan 8.360 nan 0.000 0.459 223 L N 1.906 123.131 121.223 0.004 0.000 2.367 223 L HA 0.376 4.716 4.340 0.000 0.000 0.275 223 L C 0.244 177.110 176.870 -0.007 0.000 1.129 223 L CA -0.455 54.386 54.840 0.001 0.000 0.839 223 L CB 0.891 42.963 42.059 0.022 0.000 1.133 223 L HN 0.529 nan 8.230 nan 0.000 0.453 224 V N 1.675 121.578 119.914 -0.018 0.000 3.181 224 V HA 0.446 4.566 4.120 0.000 0.000 0.314 224 V C 0.081 176.172 176.094 -0.005 0.000 1.173 224 V CA -1.076 61.215 62.300 -0.016 0.000 1.052 224 V CB 1.928 33.732 31.823 -0.032 0.000 1.123 224 V HN 0.562 nan 8.190 nan 0.000 0.454 225 L N 2.122 123.343 121.223 -0.003 0.000 2.727 225 L HA 0.682 5.022 4.340 0.000 0.000 0.237 225 L C 0.732 177.603 176.870 0.002 0.000 1.370 225 L CA 0.644 55.485 54.840 0.002 0.000 1.248 225 L CB -0.942 41.118 42.059 0.003 0.000 1.556 225 L HN 1.058 nan 8.230 nan 0.000 0.420 226 G N -0.354 108.447 108.800 0.002 0.000 2.871 226 G HA2 0.231 4.191 3.960 0.000 0.000 0.282 226 G HA3 0.231 4.191 3.960 0.000 0.000 0.282 226 G C -1.138 173.768 174.900 0.010 0.000 1.212 226 G CA -0.450 44.652 45.100 0.004 0.000 0.812 226 G HN 0.101 nan 8.290 nan 0.000 0.547 227 E N 1.589 121.797 120.200 0.013 0.000 1.802 227 E HA 0.212 4.562 4.350 0.000 0.000 0.265 227 E C 0.006 176.622 176.600 0.027 0.000 1.168 227 E CA -0.283 56.132 56.400 0.025 0.000 1.033 227 E CB -0.434 29.283 29.700 0.028 0.000 1.095 227 E HN 0.295 nan 8.360 nan 0.000 0.436 228 N N 2.686 121.402 118.700 0.028 0.000 2.508 228 N HA 0.171 4.911 4.740 0.000 0.000 0.264 228 N C -0.256 175.283 175.510 0.048 0.000 1.216 228 N CA 0.157 53.223 53.050 0.027 0.000 0.943 228 N CB 0.846 39.349 38.487 0.026 0.000 1.113 228 N HN 0.289 nan 8.380 nan 0.000 0.447 229 R N 0.748 121.284 120.500 0.060 0.000 2.445 229 R HA 0.588 4.928 4.340 0.000 0.000 0.308 229 R C -0.815 175.477 176.300 -0.014 0.000 0.961 229 R CA -0.712 55.412 56.100 0.039 0.000 0.862 229 R CB 1.481 31.826 30.300 0.075 0.000 1.144 229 R HN 0.240 nan 8.270 nan 0.000 0.447 230 V N 2.785 122.618 119.914 -0.135 0.000 2.962 230 V HA 0.503 4.623 4.120 0.000 0.000 0.313 230 V C -0.709 175.158 176.094 -0.378 0.000 1.099 230 V CA -0.869 61.278 62.300 -0.254 0.000 0.971 230 V CB 2.616 34.212 31.823 -0.378 0.000 1.028 230 V HN 0.412 nan 8.190 nan 0.000 0.430 231 V N 2.214 121.967 119.914 -0.269 0.000 2.482 231 V HA 0.389 4.509 4.120 0.000 0.000 0.295 231 V C -0.311 175.699 176.094 -0.141 0.000 1.026 231 V CA -0.523 61.650 62.300 -0.211 0.000 0.856 231 V CB 1.643 33.403 31.823 -0.104 0.000 1.001 231 V HN 0.964 nan 8.190 nan 0.000 0.424 232 E N 3.848 123.981 120.200 -0.111 0.000 2.167 232 E HA 0.428 4.778 4.350 0.000 0.000 0.284 232 E C -0.513 176.124 176.600 0.062 0.000 1.016 232 E CA -0.563 55.870 56.400 0.056 0.000 0.817 232 E CB 1.622 31.476 29.700 0.256 0.000 1.080 232 E HN 0.522 nan 8.360 nan 0.000 0.397 233 V N 4.921 124.867 119.914 0.053 0.000 2.584 233 V HA 0.054 4.174 4.120 0.000 0.000 0.303 233 V C 1.539 177.661 176.094 0.048 0.000 1.035 233 V CA 1.704 64.027 62.300 0.038 0.000 1.172 233 V CB 0.293 32.136 31.823 0.034 0.000 0.896 233 V HN 1.119 nan 8.190 nan 0.000 0.486 234 G N 3.972 112.795 108.800 0.039 0.000 2.253 234 G HA2 -0.286 3.674 3.960 0.000 0.000 0.251 234 G HA3 -0.286 3.674 3.960 0.000 0.000 0.251 234 G C 0.928 175.861 174.900 0.056 0.000 0.998 234 G CA 0.698 45.822 45.100 0.041 0.000 0.621 234 G HN 0.623 nan 8.290 nan 0.000 0.524 235 K N -0.276 120.172 120.400 0.080 0.000 2.230 235 K HA 0.531 4.851 4.320 0.000 0.000 0.219 235 K C 1.242 177.902 176.600 0.100 0.000 1.033 235 K CA 0.927 57.278 56.287 0.107 0.000 0.937 235 K CB 0.555 33.162 32.500 0.178 0.000 1.018 235 K HN 1.057 nan 8.250 nan 0.000 0.463 236 G N -0.193 108.673 108.800 0.110 0.000 2.327 236 G HA2 0.403 4.363 3.960 0.000 0.000 0.291 236 G HA3 0.403 4.363 3.960 0.000 0.000 0.291 236 G C -1.925 173.001 174.900 0.043 0.000 1.290 236 G CA -0.380 44.767 45.100 0.079 0.000 0.857 236 G HN 0.336 nan 8.290 nan 0.000 0.520 237 A N -0.687 122.144 122.820 0.019 0.000 2.303 237 A HA 1.006 5.326 4.320 0.000 0.000 0.317 237 A C -0.575 177.040 177.584 0.053 0.000 1.149 237 A CA -0.010 51.983 52.037 -0.074 0.000 0.822 237 A CB 0.683 19.651 19.000 -0.053 0.000 1.131 237 A HN 2.177 nan 8.150 nan 0.000 0.493 238 Y N -2.254 118.060 120.300 0.023 0.000 2.702 238 Y HA 0.695 5.245 4.550 0.000 0.000 0.336 238 Y C -0.297 175.615 175.900 0.020 0.000 1.203 238 Y CA -1.032 57.079 58.100 0.018 0.000 1.072 238 Y CB 0.527 38.996 38.460 0.014 0.000 1.327 238 Y HN 0.979 nan 8.280 nan 0.000 0.456 239 A N 1.548 124.534 122.820 0.278 0.000 2.293 239 A HA 0.751 5.071 4.320 0.000 0.000 0.302 239 A C -1.573 176.154 177.584 0.238 0.000 1.119 239 A CA -0.579 51.564 52.037 0.177 0.000 0.823 239 A CB 1.145 20.209 19.000 0.106 0.000 1.097 239 A HN 1.004 nan 8.150 nan 0.000 0.491 240 L N 1.949 123.264 121.223 0.153 0.000 2.446 240 L HA 0.577 4.917 4.340 0.000 0.000 0.268 240 L C 0.152 177.064 176.870 0.070 0.000 0.975 240 L CA 0.221 55.140 54.840 0.131 0.000 0.848 240 L CB 1.644 43.794 42.059 0.152 0.000 1.225 240 L HN 0.900 nan 8.230 nan 0.000 0.410 241 T N 1.873 116.456 114.554 0.048 0.000 2.940 241 T HA 0.632 4.982 4.350 0.000 0.000 0.288 241 T C -2.283 172.429 174.700 0.021 0.000 1.033 241 T CA -1.954 60.164 62.100 0.030 0.000 1.033 241 T CB 1.763 70.646 68.868 0.024 0.000 1.079 241 T HN 0.347 nan 8.240 nan 0.000 0.496 242 P HA -0.135 nan 4.420 nan 0.000 0.215 242 P C 1.764 179.070 177.300 0.009 0.000 1.157 242 P CA 1.039 64.147 63.100 0.013 0.000 0.863 242 P CB 0.066 31.772 31.700 0.011 0.000 0.787 243 E N 0.815 121.019 120.200 0.007 0.000 2.160 243 E HA -0.248 4.103 4.350 0.000 0.000 0.195 243 E C 1.701 178.300 176.600 -0.001 0.000 0.991 243 E CA 1.371 57.773 56.400 0.003 0.000 0.810 243 E CB -1.168 28.533 29.700 0.003 0.000 0.742 243 E HN 0.349 nan 8.360 nan 0.000 0.466 244 E N 0.467 120.666 120.200 -0.002 0.000 2.130 244 E HA -0.161 4.189 4.350 0.000 0.000 0.196 244 E C 1.789 178.379 176.600 -0.016 0.000 0.998 244 E CA 2.108 58.501 56.400 -0.012 0.000 0.806 244 E CB 0.056 29.750 29.700 -0.010 0.000 0.738 244 E HN 0.372 nan 8.360 nan 0.000 0.459 245 V N -4.011 115.899 119.914 -0.006 0.000 3.085 245 V HA 0.507 4.627 4.120 0.000 0.000 0.345 245 V C 0.797 176.892 176.094 0.003 0.000 1.397 245 V CA 0.144 62.441 62.300 -0.004 0.000 1.165 245 V CB 0.183 32.009 31.823 0.004 0.000 1.153 245 V HN 0.239 nan 8.190 nan 0.000 0.495 246 G N 0.813 109.614 108.800 0.001 0.000 2.143 246 G HA2 -0.219 3.741 3.960 0.000 0.000 0.248 246 G HA3 -0.219 3.741 3.960 0.000 0.000 0.248 246 G C -0.193 174.710 174.900 0.006 0.000 0.991 246 G CA 0.605 45.706 45.100 0.003 0.000 0.689 246 G HN 0.592 nan 8.290 nan 0.000 0.522 247 L N -0.793 120.435 121.223 0.008 0.000 2.313 247 L HA 0.650 4.990 4.340 0.000 0.000 0.268 247 L C 0.562 177.436 176.870 0.007 0.000 1.010 247 L CA -1.165 53.681 54.840 0.009 0.000 0.814 247 L CB 1.541 43.608 42.059 0.013 0.000 1.304 247 L HN -0.017 nan 8.230 nan 0.000 0.441 248 K N 1.152 121.556 120.400 0.006 0.000 2.123 248 K HA 0.487 4.807 4.320 0.000 0.000 0.259 248 K C -0.669 175.934 176.600 0.005 0.000 0.960 248 K CA -0.835 55.455 56.287 0.005 0.000 0.872 248 K CB 1.509 34.011 32.500 0.003 0.000 1.079 248 K HN 0.431 nan 8.250 nan 0.000 0.440 249 R N 0.705 121.208 120.500 0.005 0.000 2.641 249 R HA 0.442 4.782 4.340 0.000 0.000 0.269 249 R C -0.428 175.874 176.300 0.003 0.000 1.074 249 R CA -0.264 55.839 56.100 0.005 0.000 1.133 249 R CB 0.935 31.238 30.300 0.005 0.000 1.029 249 R HN 0.682 nan 8.270 nan 0.000 0.488 250 A N 2.695 125.516 122.820 0.002 0.000 2.574 250 A HA 0.508 4.828 4.320 0.000 0.000 0.297 250 A C -2.572 175.012 177.584 0.000 0.000 1.062 250 A CA -1.509 50.528 52.037 0.001 0.000 0.686 250 A CB 1.585 20.586 19.000 0.000 0.000 1.285 250 A HN 0.510 nan 8.150 nan 0.000 0.403 251 P HA 0.127 nan 4.420 nan 0.000 0.269 251 P C 0.744 178.043 177.300 -0.001 0.000 1.215 251 P CA -0.288 62.812 63.100 0.000 0.000 0.780 251 P CB 0.752 32.453 31.700 0.001 0.000 0.898 252 L N 1.776 122.997 121.223 -0.002 0.000 2.127 252 L HA -0.203 4.137 4.340 0.000 0.000 0.211 252 L C 2.376 179.245 176.870 -0.002 0.000 1.089 252 L CA 1.952 56.789 54.840 -0.005 0.000 0.757 252 L CB -1.227 40.829 42.059 -0.005 0.000 0.899 252 L HN 0.420 nan 8.230 nan 0.000 0.434 253 E N -0.114 120.086 120.200 -0.000 0.000 2.160 253 E HA -0.201 4.149 4.350 0.000 0.000 0.195 253 E C 2.050 178.649 176.600 -0.001 0.000 0.991 253 E CA 1.355 57.755 56.400 0.000 0.000 0.810 253 E CB -0.310 29.390 29.700 0.001 0.000 0.742 253 E HN 0.509 nan 8.360 nan 0.000 0.466 254 A N -0.115 122.705 122.820 -0.002 0.000 2.172 254 A HA -0.017 4.303 4.320 0.000 0.000 0.216 254 A C 1.752 179.334 177.584 -0.003 0.000 1.154 254 A CA 0.891 52.927 52.037 -0.003 0.000 0.701 254 A CB -0.304 18.695 19.000 -0.002 0.000 0.789 254 A HN 0.331 nan 8.150 nan 0.000 0.465 255 L N -1.808 119.413 121.223 -0.003 0.000 2.728 255 L HA 0.181 4.521 4.340 0.000 0.000 0.238 255 L C 1.890 178.759 176.870 -0.002 0.000 1.143 255 L CA 0.030 54.868 54.840 -0.003 0.000 0.937 255 L CB -0.007 42.050 42.059 -0.003 0.000 1.225 255 L HN 0.274 nan 8.230 nan 0.000 0.507 256 K N 0.834 121.233 120.400 -0.002 0.000 2.103 256 K HA 0.074 4.394 4.320 0.000 0.000 0.204 256 K C 1.279 177.878 176.600 -0.002 0.000 1.052 256 K CA 0.832 57.119 56.287 -0.000 0.000 0.945 256 K CB 0.110 32.611 32.500 0.000 0.000 0.722 256 K HN 0.347 nan 8.250 nan 0.000 0.443 257 G N -0.849 107.949 108.800 -0.004 0.000 2.539 257 G HA2 -0.217 3.743 3.960 0.000 0.000 0.256 257 G HA3 -0.217 3.743 3.960 0.000 0.000 0.256 257 G C 0.178 175.074 174.900 -0.006 0.000 1.233 257 G CA -0.333 44.764 45.100 -0.006 0.000 0.936 257 G HN 0.587 nan 8.290 nan 0.000 0.571 258 G N -1.670 107.125 108.800 -0.007 0.000 3.100 258 G HA2 0.827 4.787 3.960 0.000 0.000 0.174 258 G HA3 0.827 4.787 3.960 0.000 0.000 0.174 258 G C 0.590 175.486 174.900 -0.006 0.000 1.136 258 G CA 0.648 45.744 45.100 -0.006 0.000 0.881 258 G HN 1.989 nan 8.290 nan 0.000 0.616 259 G N 0.061 108.857 108.800 -0.007 0.000 2.651 259 G HA2 0.467 4.427 3.960 0.000 0.000 0.260 259 G HA3 0.467 4.427 3.960 0.000 0.000 0.260 259 G C -0.609 174.286 174.900 -0.009 0.000 1.216 259 G CA -0.109 44.987 45.100 -0.006 0.000 0.913 259 G HN 0.340 nan 8.290 nan 0.000 0.535 260 P HA -0.142 nan 4.420 nan 0.000 0.215 260 P C 1.126 178.418 177.300 -0.014 0.000 1.153 260 P CA 1.496 64.590 63.100 -0.012 0.000 0.853 260 P CB 0.291 31.985 31.700 -0.010 0.000 0.788 261 E N -0.029 120.164 120.200 -0.012 0.000 2.106 261 E HA -0.176 4.174 4.350 0.000 0.000 0.192 261 E C 2.297 178.888 176.600 -0.015 0.000 0.984 261 E CA 0.783 57.176 56.400 -0.013 0.000 0.806 261 E CB -0.274 29.420 29.700 -0.010 0.000 0.750 261 E HN 0.427 nan 8.360 nan 0.000 0.458 262 E N 0.970 121.161 120.200 -0.014 0.000 2.072 262 E HA -0.186 4.164 4.350 0.000 0.000 0.191 262 E C 1.729 178.317 176.600 -0.019 0.000 0.985 262 E CA 1.000 57.390 56.400 -0.016 0.000 0.801 262 E CB 0.136 29.828 29.700 -0.014 0.000 0.750 262 E HN 0.086 nan 8.360 nan 0.000 0.452 263 N N 0.574 119.263 118.700 -0.018 0.000 2.223 263 N HA -0.122 4.618 4.740 0.000 0.000 0.185 263 N C 1.520 177.016 175.510 -0.024 0.000 1.016 263 N CA 1.238 54.276 53.050 -0.019 0.000 0.863 263 N CB -0.408 38.069 38.487 -0.017 0.000 0.983 263 N HN 0.266 nan 8.380 nan 0.000 0.429 264 A N 0.652 123.459 122.820 -0.022 0.000 1.930 264 A HA 0.082 4.402 4.320 0.000 0.000 0.217 264 A C 2.309 179.878 177.584 -0.026 0.000 1.175 264 A CA 1.744 53.768 52.037 -0.021 0.000 0.627 264 A CB -0.741 18.249 19.000 -0.017 0.000 0.815 264 A HN 0.299 nan 8.150 nan 0.000 0.443 265 A N -0.216 122.586 122.820 -0.029 0.000 1.898 265 A HA 0.023 4.343 4.320 0.000 0.000 0.216 265 A C 2.157 179.709 177.584 -0.053 0.000 1.181 265 A CA 1.351 53.363 52.037 -0.041 0.000 0.620 265 A CB -0.591 18.389 19.000 -0.034 0.000 0.819 265 A HN 0.451 nan 8.150 nan 0.000 0.442 266 L N -0.632 120.565 121.223 -0.042 0.000 2.042 266 L HA -0.231 4.109 4.340 0.000 0.000 0.210 266 L C 3.137 179.976 176.870 -0.052 0.000 1.076 266 L CA 1.127 55.941 54.840 -0.043 0.000 0.749 266 L CB -0.638 41.403 42.059 -0.031 0.000 0.893 266 L HN 0.450 nan 8.230 nan 0.000 0.432 267 A N 0.287 123.081 122.820 -0.044 0.000 1.892 267 A HA -0.254 4.066 4.320 0.000 0.000 0.218 267 A C 2.376 179.923 177.584 -0.063 0.000 1.188 267 A CA 1.894 53.908 52.037 -0.039 0.000 0.631 267 A CB -0.555 18.430 19.000 -0.025 0.000 0.822 267 A HN 0.349 nan 8.150 nan 0.000 0.447 268 R N -0.885 119.556 120.500 -0.098 0.000 2.073 268 R HA -0.107 4.233 4.340 0.000 0.000 0.234 268 R C 2.504 178.622 176.300 -0.304 0.000 1.134 268 R CA 1.634 57.582 56.100 -0.254 0.000 0.952 268 R CB -0.354 29.790 30.300 -0.261 0.000 0.850 268 R HN 0.496 nan 8.270 nan 0.000 0.433 269 R N 0.569 120.956 120.500 -0.188 0.000 2.096 269 R HA -0.088 4.252 4.340 0.000 0.000 0.235 269 R C 2.387 178.619 176.300 -0.113 0.000 1.127 269 R CA 1.140 57.150 56.100 -0.150 0.000 0.968 269 R CB -0.385 29.857 30.300 -0.098 0.000 0.861 269 R HN 0.225 nan 8.270 nan 0.000 0.440 270 L N 0.523 121.695 121.223 -0.085 0.000 2.005 270 L HA -0.180 4.160 4.340 0.000 0.000 0.207 270 L C 2.368 179.211 176.870 -0.045 0.000 1.072 270 L CA 1.258 56.067 54.840 -0.053 0.000 0.744 270 L CB -0.394 41.643 42.059 -0.037 0.000 0.895 270 L HN 0.179 nan 8.230 nan 0.000 0.433 271 L N -0.469 120.726 121.223 -0.047 0.000 2.191 271 L HA -0.197 4.143 4.340 0.000 0.000 0.212 271 L C 2.342 179.217 176.870 0.008 0.000 1.103 271 L CA 1.187 56.030 54.840 0.005 0.000 0.769 271 L CB -0.421 41.691 42.059 0.090 0.000 0.908 271 L HN 0.224 nan 8.230 nan 0.000 0.438 272 K N -0.002 120.338 120.400 -0.101 0.000 2.432 272 K HA 0.064 4.384 4.320 0.000 0.000 0.196 272 K C 1.195 177.771 176.600 -0.040 0.000 1.038 272 K CA 0.616 56.847 56.287 -0.093 0.000 0.986 272 K CB 0.107 32.469 32.500 -0.230 0.000 0.782 272 K HN 0.406 nan 8.250 nan 0.000 0.485 273 G N 1.791 110.570 108.800 -0.035 0.000 2.137 273 G HA2 -0.270 3.690 3.960 0.000 0.000 0.237 273 G HA3 -0.270 3.690 3.960 0.000 0.000 0.237 273 G C 0.392 175.275 174.900 -0.028 0.000 1.002 273 G CA 0.468 45.557 45.100 -0.018 0.000 0.702 273 G HN 0.443 nan 8.290 nan 0.000 0.515 274 E N -0.554 119.618 120.200 -0.047 0.000 2.162 274 E HA 0.117 4.467 4.350 0.000 0.000 0.193 274 E C 1.002 177.580 176.600 -0.037 0.000 0.953 274 E CA 0.263 56.636 56.400 -0.045 0.000 0.849 274 E CB 0.239 29.901 29.700 -0.064 0.000 0.810 274 E HN 0.448 nan 8.360 nan 0.000 0.470 275 E N 1.447 121.623 120.200 -0.041 0.000 2.344 275 E HA -0.012 4.338 4.350 0.000 0.000 0.270 275 E C 0.142 176.729 176.600 -0.021 0.000 1.021 275 E CA 0.277 56.658 56.400 -0.032 0.000 0.887 275 E CB 0.556 30.235 29.700 -0.036 0.000 0.997 275 E HN -0.156 nan 8.360 nan 0.000 0.429 276 K N 2.843 123.234 120.400 -0.016 0.000 2.438 276 K HA 0.249 4.569 4.320 0.000 0.000 0.206 276 K C 0.570 177.166 176.600 -0.007 0.000 1.081 276 K CA 0.145 56.427 56.287 -0.010 0.000 1.053 276 K CB 1.185 33.680 32.500 -0.008 0.000 0.908 276 K HN 0.585 nan 8.250 nan 0.000 0.556 277 G N 2.038 110.833 108.800 -0.009 0.000 2.489 277 G HA2 0.097 4.057 3.960 0.000 0.000 0.271 277 G HA3 0.097 4.057 3.960 0.000 0.000 0.271 277 G C -1.725 173.172 174.900 -0.004 0.000 1.427 277 G CA -0.705 44.391 45.100 -0.006 0.000 1.057 277 G HN -0.160 nan 8.290 nan 0.000 0.532 278 P HA -0.077 nan 4.420 nan 0.000 0.217 278 P C 2.124 179.423 177.300 -0.001 0.000 1.148 278 P CA 0.817 63.916 63.100 -0.001 0.000 0.828 278 P CB 0.054 31.753 31.700 -0.002 0.000 0.783 279 L N -1.255 119.965 121.223 -0.004 0.000 2.046 279 L HA -0.204 4.137 4.340 0.000 0.000 0.208 279 L C 2.430 179.297 176.870 -0.004 0.000 1.077 279 L CA 1.677 56.514 54.840 -0.005 0.000 0.747 279 L CB -1.098 40.956 42.059 -0.010 0.000 0.896 279 L HN -0.022 nan 8.230 nan 0.000 0.432 280 A N -0.380 122.438 122.820 -0.004 0.000 1.930 280 A HA -0.203 4.117 4.320 0.000 0.000 0.217 280 A C 1.915 179.503 177.584 0.007 0.000 1.175 280 A CA 1.755 53.791 52.037 -0.001 0.000 0.627 280 A CB -0.425 18.574 19.000 -0.002 0.000 0.815 280 A HN 0.353 nan 8.150 nan 0.000 0.443 281 D N 0.263 120.667 120.400 0.007 0.000 2.117 281 D HA -0.058 4.582 4.640 0.000 0.000 0.197 281 D C 2.200 178.508 176.300 0.013 0.000 0.987 281 D CA 1.526 55.532 54.000 0.012 0.000 0.829 281 D CB -0.412 40.394 40.800 0.009 0.000 0.961 281 D HN 0.427 nan 8.370 nan 0.000 0.460 282 A N 0.628 123.453 122.820 0.008 0.000 1.930 282 A HA -0.092 4.228 4.320 0.000 0.000 0.217 282 A C 2.516 180.105 177.584 0.009 0.000 1.175 282 A CA 0.877 52.919 52.037 0.009 0.000 0.627 282 A CB -0.579 18.424 19.000 0.004 0.000 0.815 282 A HN 0.134 nan 8.150 nan 0.000 0.443 283 V N -0.217 119.701 119.914 0.006 0.000 2.358 283 V HA -0.213 3.908 4.120 0.000 0.000 0.246 283 V C 3.036 179.135 176.094 0.009 0.000 1.047 283 V CA 1.805 64.107 62.300 0.003 0.000 1.035 283 V CB -1.058 30.764 31.823 -0.002 0.000 0.658 283 V HN 0.600 nan 8.190 nan 0.000 0.452 284 A N -0.221 122.613 122.820 0.023 0.000 1.933 284 A HA -0.188 4.132 4.320 0.000 0.000 0.218 284 A C 2.143 179.757 177.584 0.050 0.000 1.175 284 A CA 2.004 54.068 52.037 0.045 0.000 0.628 284 A CB -0.526 18.502 19.000 0.048 0.000 0.814 284 A HN 0.451 nan 8.150 nan 0.000 0.444 285 L N -0.219 121.027 121.223 0.037 0.000 2.017 285 L HA -0.042 4.298 4.340 0.000 0.000 0.208 285 L C 2.646 179.541 176.870 0.041 0.000 1.073 285 L CA 2.332 57.196 54.840 0.041 0.000 0.745 285 L CB -0.883 41.194 42.059 0.031 0.000 0.894 285 L HN 0.318 nan 8.230 nan 0.000 0.432 286 A N -0.594 122.239 122.820 0.023 0.000 1.898 286 A HA -0.026 4.294 4.320 0.000 0.000 0.216 286 A C 2.426 179.997 177.584 -0.021 0.000 1.181 286 A CA 1.654 53.699 52.037 0.013 0.000 0.620 286 A CB -1.138 17.866 19.000 0.007 0.000 0.819 286 A HN 0.578 nan 8.150 nan 0.000 0.442 287 A N -0.431 122.358 122.820 -0.053 0.000 1.930 287 A HA 0.145 4.465 4.320 0.000 0.000 0.217 287 A C 2.378 179.858 177.584 -0.174 0.000 1.175 287 A CA 1.832 53.755 52.037 -0.189 0.000 0.627 287 A CB -1.307 17.594 19.000 -0.165 0.000 0.815 287 A HN 0.696 nan 8.150 nan 0.000 0.443 288 G N -0.463 108.376 108.800 0.065 0.000 2.418 288 G HA2 0.010 3.970 3.960 0.000 0.000 0.217 288 G HA3 0.010 3.970 3.960 0.000 0.000 0.217 288 G C 1.715 176.737 174.900 0.202 0.000 1.158 288 G CA 1.349 46.585 45.100 0.226 0.000 0.771 288 G HN 0.783 nan 8.290 nan 0.000 0.545 289 A N 0.794 123.691 122.820 0.129 0.000 1.972 289 A HA 0.181 4.501 4.320 0.000 0.000 0.219 289 A C 2.660 180.343 177.584 0.166 0.000 1.169 289 A CA 2.007 54.149 52.037 0.174 0.000 0.635 289 A CB -0.893 18.184 19.000 0.127 0.000 0.810 289 A HN 0.493 nan 8.150 nan 0.000 0.446 290 G N -1.194 107.624 108.800 0.029 0.000 2.402 290 G HA2 -0.112 3.848 3.960 0.000 0.000 0.216 290 G HA3 -0.112 3.848 3.960 0.000 0.000 0.216 290 G C 1.294 176.189 174.900 -0.007 0.000 1.162 290 G CA 0.996 46.063 45.100 -0.056 0.000 0.777 290 G HN 0.384 nan 8.290 nan 0.000 0.539 291 F N -0.290 119.712 119.950 0.087 0.000 2.171 291 F HA 0.002 4.529 4.527 0.000 0.000 0.300 291 F C 2.318 178.183 175.800 0.108 0.000 1.090 291 F CA 0.535 58.583 58.000 0.079 0.000 1.293 291 F CB -0.820 38.228 39.000 0.080 0.000 1.013 291 F HN 0.232 nan 8.300 nan 0.000 0.486 292 Y N 0.600 121.030 120.300 0.218 0.000 2.163 292 Y HA -0.071 4.479 4.550 0.000 0.000 0.288 292 Y C 2.373 178.338 175.900 0.108 0.000 1.136 292 Y CA 1.182 59.367 58.100 0.141 0.000 1.147 292 Y CB -0.889 37.645 38.460 0.123 0.000 0.987 292 Y HN -0.040 nan 8.280 nan 0.000 0.509 293 A N 0.474 123.289 122.820 -0.009 0.000 1.940 293 A HA -0.079 4.241 4.320 0.000 0.000 0.219 293 A C 2.211 179.734 177.584 -0.102 0.000 1.176 293 A CA 1.806 53.781 52.037 -0.103 0.000 0.631 293 A CB -1.366 17.651 19.000 0.029 0.000 0.814 293 A HN 0.595 nan 8.150 nan 0.000 0.446 294 A N -1.859 120.940 122.820 -0.035 0.000 2.278 294 A HA 0.431 4.751 4.320 0.000 0.000 0.212 294 A C 1.720 179.299 177.584 -0.009 0.000 1.213 294 A CA 1.078 53.103 52.037 -0.020 0.000 0.840 294 A CB -0.991 18.015 19.000 0.010 0.000 0.866 294 A HN 1.879 nan 8.150 nan 0.000 0.489 295 G N -0.244 108.531 108.800 -0.041 0.000 2.153 295 G HA2 -0.344 3.616 3.960 0.000 0.000 0.252 295 G HA3 -0.344 3.616 3.960 0.000 0.000 0.252 295 G C 1.001 175.921 174.900 0.034 0.000 0.994 295 G CA 1.001 46.084 45.100 -0.028 0.000 0.698 295 G HN 0.499 nan 8.290 nan 0.000 0.521 296 K N 0.722 121.179 120.400 0.096 0.000 2.167 296 K HA 0.135 4.455 4.320 0.000 0.000 0.203 296 K C 1.553 178.178 176.600 0.042 0.000 1.052 296 K CA 1.762 58.103 56.287 0.089 0.000 0.956 296 K CB -0.065 32.558 32.500 0.205 0.000 0.735 296 K HN 0.785 nan 8.250 nan 0.000 0.451 297 T N -2.361 112.254 114.554 0.102 0.000 2.893 297 T HA 0.383 4.733 4.350 0.000 0.000 0.291 297 T C -2.214 172.594 174.700 0.180 0.000 1.028 297 T CA -1.876 60.281 62.100 0.095 0.000 0.995 297 T CB 1.982 70.903 68.868 0.088 0.000 1.051 297 T HN -0.136 nan 8.240 nan 0.000 0.470 298 P HA 0.069 nan 4.420 nan 0.000 0.233 298 P C 0.341 177.818 177.300 0.295 0.000 1.167 298 P CA 0.230 63.441 63.100 0.185 0.000 0.770 298 P CB 0.149 31.906 31.700 0.095 0.000 0.837 299 S N -2.095 113.737 115.700 0.219 0.000 2.618 299 S HA 0.387 4.858 4.470 0.000 0.000 0.277 299 S C 0.718 175.245 174.600 -0.122 0.000 1.138 299 S CA -0.852 57.333 58.200 -0.026 0.000 0.844 299 S CB 0.898 64.059 63.200 -0.065 0.000 1.127 299 S HN -0.147 nan 8.310 nan 0.000 0.474 300 L N 0.961 121.932 121.223 -0.421 0.000 2.056 300 L HA 0.063 4.403 4.340 0.000 0.000 0.207 300 L C 2.730 179.564 176.870 -0.060 0.000 1.078 300 L CA 1.361 56.065 54.840 -0.227 0.000 0.749 300 L CB -0.414 41.480 42.059 -0.275 0.000 0.901 300 L HN 0.857 nan 8.230 nan 0.000 0.433 301 K N 0.253 120.606 120.400 -0.078 0.000 2.057 301 K HA -0.245 4.075 4.320 0.000 0.000 0.207 301 K C 2.075 178.673 176.600 -0.002 0.000 1.049 301 K CA 1.524 57.792 56.287 -0.032 0.000 0.931 301 K CB 0.049 32.523 32.500 -0.043 0.000 0.714 301 K HN 0.231 nan 8.250 nan 0.000 0.440 302 E N -0.810 119.390 120.200 -0.000 0.000 2.106 302 E HA -0.121 4.229 4.350 0.000 0.000 0.192 302 E C 1.857 178.473 176.600 0.027 0.000 0.984 302 E CA 1.094 57.498 56.400 0.006 0.000 0.806 302 E CB -0.126 29.578 29.700 0.007 0.000 0.750 302 E HN 0.478 nan 8.360 nan 0.000 0.458 303 G N 0.443 109.298 108.800 0.092 0.000 2.418 303 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 303 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 303 G C 1.628 176.673 174.900 0.241 0.000 1.158 303 G CA 0.933 46.161 45.100 0.213 0.000 0.771 303 G HN 0.224 nan 8.290 nan 0.000 0.545 304 V N 1.478 121.480 119.914 0.147 0.000 2.427 304 V HA -0.086 4.034 4.120 0.000 0.000 0.248 304 V C 3.296 179.445 176.094 0.092 0.000 1.051 304 V CA 1.854 64.228 62.300 0.122 0.000 1.048 304 V CB -0.728 31.136 31.823 0.069 0.000 0.666 304 V HN 0.478 nan 8.190 nan 0.000 0.456 305 A N 0.034 122.884 122.820 0.051 0.000 1.902 305 A HA -0.205 4.115 4.320 0.000 0.000 0.217 305 A C 2.166 179.759 177.584 0.014 0.000 1.181 305 A CA 2.130 54.181 52.037 0.023 0.000 0.623 305 A CB -0.575 18.425 19.000 0.000 0.000 0.818 305 A HN 0.455 nan 8.150 nan 0.000 0.443 306 L N -0.249 120.964 121.223 -0.017 0.000 2.046 306 L HA -0.022 4.319 4.340 0.000 0.000 0.208 306 L C 2.627 179.523 176.870 0.043 0.000 1.077 306 L CA 2.192 56.972 54.840 -0.099 0.000 0.747 306 L CB -0.835 40.989 42.059 -0.392 0.000 0.896 306 L HN 0.332 nan 8.230 nan 0.000 0.432 307 A N -0.319 122.645 122.820 0.239 0.000 1.933 307 A HA -0.212 4.108 4.320 0.000 0.000 0.218 307 A C 2.400 180.080 177.584 0.159 0.000 1.175 307 A CA 1.753 53.997 52.037 0.345 0.000 0.628 307 A CB -0.538 18.651 19.000 0.315 0.000 0.814 307 A HN 0.528 nan 8.150 nan 0.000 0.444 308 R N -0.397 120.163 120.500 0.100 0.000 2.092 308 R HA -0.114 4.226 4.340 0.000 0.000 0.231 308 R C 2.093 178.421 176.300 0.047 0.000 1.119 308 R CA 1.494 57.630 56.100 0.059 0.000 0.970 308 R CB -0.314 30.011 30.300 0.040 0.000 0.864 308 R HN 0.682 nan 8.270 nan 0.000 0.440 309 E N 0.244 120.468 120.200 0.040 0.000 2.047 309 E HA -0.139 4.211 4.350 0.000 0.000 0.191 309 E C 2.108 178.729 176.600 0.036 0.000 0.987 309 E CA 1.301 57.715 56.400 0.024 0.000 0.799 309 E CB 0.012 29.713 29.700 0.001 0.000 0.752 309 E HN 0.076 nan 8.360 nan 0.000 0.449 310 V N 1.504 121.455 119.914 0.062 0.000 2.295 310 V HA -0.246 3.874 4.120 0.000 0.000 0.246 310 V C 2.345 178.480 176.094 0.068 0.000 1.049 310 V CA 1.373 63.720 62.300 0.079 0.000 1.024 310 V CB -0.407 31.509 31.823 0.156 0.000 0.648 310 V HN 0.213 nan 8.190 nan 0.000 0.447 311 L N 0.893 122.158 121.223 0.069 0.000 2.012 311 L HA -0.119 4.222 4.340 0.000 0.000 0.210 311 L C 2.435 179.323 176.870 0.030 0.000 1.073 311 L CA 2.443 57.310 54.840 0.045 0.000 0.748 311 L CB -0.923 41.160 42.059 0.040 0.000 0.891 311 L HN 0.243 nan 8.230 nan 0.000 0.431 312 A N -1.314 121.523 122.820 0.027 0.000 2.015 312 A HA -0.167 4.153 4.320 0.000 0.000 0.219 312 A C 2.425 180.019 177.584 0.017 0.000 1.163 312 A CA 1.607 53.653 52.037 0.016 0.000 0.646 312 A CB -0.931 18.078 19.000 0.014 0.000 0.806 312 A HN 0.655 nan 8.150 nan 0.000 0.448 313 S N -1.689 114.025 115.700 0.024 0.000 2.453 313 S HA 0.277 4.747 4.470 0.000 0.000 0.231 313 S C 1.636 176.255 174.600 0.032 0.000 1.005 313 S CA 1.287 59.502 58.200 0.025 0.000 0.949 313 S CB -0.527 62.689 63.200 0.027 0.000 0.774 313 S HN 1.910 nan 8.310 nan 0.000 0.510 314 G N 1.085 109.908 108.800 0.038 0.000 2.179 314 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 314 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 314 G C 0.691 175.638 174.900 0.078 0.000 0.977 314 G CA 0.444 45.578 45.100 0.056 0.000 0.641 314 G HN 0.470 nan 8.290 nan 0.000 0.533 315 E N 0.155 120.388 120.200 0.055 0.000 2.204 315 E HA -0.032 4.318 4.350 0.000 0.000 0.195 315 E C 2.756 179.374 176.600 0.031 0.000 0.990 315 E CA 1.342 57.768 56.400 0.043 0.000 0.821 315 E CB -0.486 29.236 29.700 0.037 0.000 0.750 315 E HN 0.897 nan 8.360 nan 0.000 0.477 316 A N 0.233 123.074 122.820 0.035 0.000 1.969 316 A HA -0.191 4.129 4.320 0.000 0.000 0.218 316 A C 2.056 179.642 177.584 0.003 0.000 1.169 316 A CA 1.129 53.162 52.037 -0.007 0.000 0.635 316 A CB -0.583 18.412 19.000 -0.009 0.000 0.810 316 A HN 0.296 nan 8.150 nan 0.000 0.445 317 Y N 0.257 120.520 120.300 -0.061 0.000 2.263 317 Y HA 0.005 4.555 4.550 0.000 0.000 0.292 317 Y C 1.884 177.761 175.900 -0.039 0.000 1.130 317 Y CA 1.202 59.269 58.100 -0.056 0.000 1.179 317 Y CB -0.240 38.198 38.460 -0.038 0.000 0.998 317 Y HN 0.207 nan 8.280 nan 0.000 0.532 318 L N -0.543 120.656 121.223 -0.040 0.000 2.083 318 L HA -0.230 4.110 4.340 0.000 0.000 0.209 318 L C 2.501 179.301 176.870 -0.116 0.000 1.083 318 L CA 1.393 56.178 54.840 -0.091 0.000 0.752 318 L CB -0.618 41.438 42.059 -0.005 0.000 0.899 318 L HN 0.308 nan 8.230 nan 0.000 0.433 319 L N -0.436 120.731 121.223 -0.094 0.000 2.027 319 L HA -0.226 4.114 4.340 0.000 0.000 0.206 319 L C 2.532 179.328 176.870 -0.123 0.000 1.074 319 L CA 1.082 55.869 54.840 -0.089 0.000 0.745 319 L CB -0.103 41.893 42.059 -0.105 0.000 0.898 319 L HN 0.198 nan 8.230 nan 0.000 0.433 320 L N 0.120 121.215 121.223 -0.213 0.000 2.043 320 L HA -0.240 4.100 4.340 0.000 0.000 0.212 320 L C 2.460 179.250 176.870 -0.135 0.000 1.075 320 L CA 1.862 56.578 54.840 -0.207 0.000 0.752 320 L CB -0.797 41.116 42.059 -0.243 0.000 0.891 320 L HN 0.283 nan 8.230 nan 0.000 0.432 321 E N -0.174 119.861 120.200 -0.275 0.000 2.150 321 E HA -0.168 4.182 4.350 0.000 0.000 0.193 321 E C 2.355 178.921 176.600 -0.057 0.000 0.985 321 E CA 0.894 57.168 56.400 -0.210 0.000 0.814 321 E CB -0.217 29.298 29.700 -0.310 0.000 0.752 321 E HN 0.572 nan 8.360 nan 0.000 0.466 322 R N -0.381 120.111 120.500 -0.015 0.000 2.075 322 R HA -0.133 4.207 4.340 0.000 0.000 0.232 322 R C 2.308 178.700 176.300 0.154 0.000 1.126 322 R CA 1.045 57.185 56.100 0.067 0.000 0.963 322 R CB -0.392 29.947 30.300 0.065 0.000 0.858 322 R HN 0.191 nan 8.270 nan 0.000 0.435 323 Y N 1.396 121.708 120.300 0.021 0.000 2.145 323 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 323 Y C 2.164 178.143 175.900 0.132 0.000 1.145 323 Y CA 1.166 59.318 58.100 0.088 0.000 1.148 323 Y CB -0.403 38.117 38.460 0.099 0.000 0.981 323 Y HN -0.257 nan 8.280 nan 0.000 0.507 324 V N 0.324 120.263 119.914 0.042 0.000 2.332 324 V HA -0.356 3.764 4.120 0.000 0.000 0.248 324 V C 2.644 178.713 176.094 -0.041 0.000 1.055 324 V CA 1.969 64.244 62.300 -0.042 0.000 1.038 324 V CB -1.580 30.235 31.823 -0.014 0.000 0.651 324 V HN 0.554 nan 8.190 nan 0.000 0.450 325 A N -1.041 121.783 122.820 0.007 0.000 1.930 325 A HA -0.190 4.130 4.320 0.000 0.000 0.217 325 A C 2.091 179.692 177.584 0.029 0.000 1.175 325 A CA 1.676 53.720 52.037 0.012 0.000 0.627 325 A CB -0.658 18.357 19.000 0.025 0.000 0.815 325 A HN 0.509 nan 8.150 nan 0.000 0.443 326 F N 0.580 120.478 119.950 -0.086 0.000 2.134 326 F HA -0.120 4.407 4.527 0.000 0.000 0.299 326 F C 1.907 177.634 175.800 -0.120 0.000 1.097 326 F CA 1.700 59.653 58.000 -0.079 0.000 1.264 326 F CB -0.093 38.878 39.000 -0.049 0.000 1.001 326 F HN 0.126 nan 8.300 nan 0.000 0.479 327 L N -0.412 120.823 121.223 0.020 0.000 2.217 327 L HA -0.100 4.240 4.340 0.000 0.000 0.211 327 L C 2.035 178.859 176.870 -0.075 0.000 1.107 327 L CA 0.925 55.728 54.840 -0.060 0.000 0.783 327 L CB -0.528 41.424 42.059 -0.177 0.000 0.919 327 L HN 0.015 nan 8.230 nan 0.000 0.442 328 R N 0.230 120.685 120.500 -0.075 0.000 2.313 328 R HA 0.176 4.516 4.340 0.000 0.000 0.199 328 R C 0.970 177.222 176.300 -0.081 0.000 0.958 328 R CA -0.017 56.045 56.100 -0.064 0.000 1.047 328 R CB -0.028 30.242 30.300 -0.048 0.000 0.955 328 R HN 0.228 nan 8.270 nan 0.000 0.481 329 A N 0.000 122.744 122.820 -0.126 0.000 2.254 329 A HA 0.000 4.320 4.320 0.000 0.000 0.244 329 A CA 0.000 51.946 52.037 -0.151 0.000 0.836 329 A CB 0.000 18.838 19.000 -0.270 0.000 0.831 329 A HN 0.000 nan 8.150 nan 0.000 0.486