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 2w8b_1_A DATA FIRST_RESID 22 DATA SEQUENCE EVRIVIDSGV DSGRPIGVVP FQWAGPGAAP EDIGGIVAAD LRNSGKFNPL DATA SEQUENCE DRARLPQQPG SAQEVQPAAW SALGIDAVVV GQVTPNPDGS YNVAYQLVDT DATA SEQUENCE GGAPGTVLAQ NSYKVNKQWL RYAGHTASDE VFEKLTGIKG AFRTRIAYVV DATA SEQUENCE QTNGGQFPYE LRVSDYDGYN QFVVHRSPQP LMSPAWSPDG SKLAYVTFES DATA SEQUENCE GRSALVIQTL ANGAVRQVAS FPRHNGAPAF SPDGSKLAFA LSKTGSLNLY DATA SEQUENCE VMDLASGQIR QVTDGRSNNT EPTWFPDSQN LAFTSDQAGR PQVYKVNING DATA SEQUENCE GAPQRITWEG SQNQDADVSS DGKFMVMVSS NGGQQHIAKQ DLATGGVQVL DATA SEQUENCE SSTFLDETPS LAPNGTMVLY SSSQGMGSVL NLVSTDGRFK ARLPATDGQV DATA SEQUENCE KFPAWSPYL 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 22 E HA 0.000 nan 4.350 nan 0.000 0.291 22 E C 0.000 176.513 176.600 -0.146 0.000 1.382 22 E CA 0.000 56.346 56.400 -0.089 0.000 0.976 22 E CB 0.000 29.641 29.700 -0.099 0.000 0.812 23 V N 2.122 121.944 119.914 -0.153 0.000 2.877 23 V HA -0.084 4.225 4.120 0.315 0.000 0.294 23 V C 0.524 176.468 176.094 -0.249 0.000 1.280 23 V CA 0.670 62.848 62.300 -0.203 0.000 1.372 23 V CB -0.261 31.410 31.823 -0.252 0.000 0.867 23 V HN 0.570 nan 8.190 nan 0.000 0.513 24 R N 3.225 123.595 120.500 -0.217 0.000 2.740 24 R HA 0.580 5.110 4.340 0.315 0.000 0.273 24 R C -0.766 175.458 176.300 -0.127 0.000 0.998 24 R CA -1.062 54.911 56.100 -0.212 0.000 0.900 24 R CB 2.001 32.183 30.300 -0.196 0.000 1.223 24 R HN 0.588 nan 8.270 nan 0.000 0.466 25 I N 1.473 121.999 120.570 -0.074 0.000 2.529 25 I HA 0.165 4.524 4.170 0.315 0.000 0.284 25 I C -0.031 176.092 176.117 0.010 0.000 1.082 25 I CA -0.315 60.980 61.300 -0.008 0.000 1.406 25 I CB 1.026 39.070 38.000 0.072 0.000 1.405 25 I HN 0.020 nan 8.210 nan 0.000 0.548 26 V N 7.607 127.523 119.914 0.003 0.000 2.531 26 V HA 0.407 4.716 4.120 0.315 0.000 0.301 26 V C 0.015 176.105 176.094 -0.008 0.000 1.034 26 V CA -0.550 61.749 62.300 -0.001 0.000 0.865 26 V CB 1.889 33.695 31.823 -0.028 0.000 0.995 26 V HN 0.450 nan 8.190 nan 0.000 0.424 27 I N 3.650 124.221 120.570 0.001 0.000 2.472 27 I HA 0.345 4.704 4.170 0.315 0.000 0.290 27 I C 0.566 176.620 176.117 -0.106 0.000 1.016 27 I CA -0.022 61.231 61.300 -0.077 0.000 1.348 27 I CB 1.317 39.322 38.000 0.009 0.000 1.417 27 I HN 0.632 nan 8.210 nan 0.000 0.521 28 D N 2.050 122.339 120.400 -0.185 0.000 2.597 28 D HA 0.152 4.981 4.640 0.315 0.000 0.261 28 D C 0.226 176.454 176.300 -0.121 0.000 1.023 28 D CA 0.686 54.614 54.000 -0.121 0.000 0.927 28 D CB 0.911 41.647 40.800 -0.107 0.000 1.168 28 D HN 0.415 nan 8.370 nan 0.000 0.491 29 S N -2.380 113.201 115.700 -0.198 0.000 2.596 29 S HA 0.504 5.163 4.470 0.315 0.000 0.270 29 S C 0.043 174.529 174.600 -0.189 0.000 1.155 29 S CA 0.165 58.282 58.200 -0.139 0.000 0.827 29 S CB 1.809 64.973 63.200 -0.061 0.000 1.130 29 S HN 0.269 nan 8.310 nan 0.000 0.467 30 G N 0.321 109.126 108.800 0.009 0.000 2.184 30 G HA2 -0.178 3.972 3.960 0.315 0.000 0.206 30 G HA3 -0.178 3.972 3.960 0.315 0.000 0.206 30 G C 0.251 175.261 174.900 0.183 0.000 0.995 30 G CA -0.080 45.146 45.100 0.211 0.000 0.651 30 G HN 1.431 nan 8.290 nan 0.000 0.511 31 V N 1.003 120.968 119.914 0.085 0.000 2.788 31 V HA 0.367 4.677 4.120 0.315 0.000 0.307 31 V C 1.169 177.314 176.094 0.085 0.000 1.069 31 V CA 1.799 64.146 62.300 0.078 0.000 1.173 31 V CB 0.277 32.123 31.823 0.039 0.000 0.925 31 V HN 0.625 nan 8.190 nan 0.000 0.492 32 D N 3.011 123.463 120.400 0.088 0.000 2.755 32 D HA -0.165 4.664 4.640 0.315 0.000 0.228 32 D C 0.202 176.549 176.300 0.078 0.000 1.172 32 D CA 1.425 55.472 54.000 0.079 0.000 0.630 32 D CB -0.675 40.159 40.800 0.058 0.000 1.040 32 D HN 1.226 nan 8.370 nan 0.000 0.418 33 S N -2.342 113.415 115.700 0.095 0.000 2.688 33 S HA 0.868 5.527 4.470 0.315 0.000 0.275 33 S C 0.176 174.832 174.600 0.093 0.000 1.175 33 S CA -0.225 58.023 58.200 0.081 0.000 0.818 33 S CB 2.143 65.384 63.200 0.067 0.000 1.157 33 S HN 1.026 nan 8.310 nan 0.000 0.482 34 G N 0.520 109.353 108.800 0.055 0.000 2.525 34 G HA2 0.073 4.222 3.960 0.315 0.000 0.685 34 G HA3 0.073 4.222 3.960 0.315 0.000 0.685 34 G C -0.758 174.131 174.900 -0.019 0.000 1.290 34 G CA -0.503 44.604 45.100 0.010 0.000 0.915 34 G HN 0.956 nan 8.290 nan 0.000 0.548 35 R N 0.843 121.259 120.500 -0.139 0.000 2.458 35 R HA 0.354 4.883 4.340 0.315 0.000 0.303 35 R C -2.120 174.230 176.300 0.084 0.000 1.013 35 R CA -0.786 55.251 56.100 -0.104 0.000 1.026 35 R CB 0.068 30.167 30.300 -0.335 0.000 0.948 35 R HN 0.271 nan 8.270 nan 0.000 0.417 36 P HA 0.047 nan 4.420 nan 0.000 0.268 36 P C -0.756 176.668 177.300 0.206 0.000 1.204 36 P CA 0.249 63.445 63.100 0.159 0.000 0.768 36 P CB 0.601 32.381 31.700 0.133 0.000 0.842 37 I N 1.459 122.158 120.570 0.215 0.000 2.827 37 I HA 0.562 4.921 4.170 0.315 0.000 0.298 37 I C -0.421 175.757 176.117 0.101 0.000 1.235 37 I CA -0.904 60.490 61.300 0.155 0.000 1.021 37 I CB 2.116 40.217 38.000 0.169 0.000 1.259 37 I HN 0.383 nan 8.210 nan 0.000 0.427 38 G N 5.994 114.761 108.800 -0.055 0.000 2.320 38 G HA2 0.546 4.695 3.960 0.315 0.000 0.300 38 G HA3 0.546 4.695 3.960 0.315 0.000 0.300 38 G C -1.162 173.643 174.900 -0.159 0.000 1.126 38 G CA -0.246 44.752 45.100 -0.169 0.000 0.896 38 G HN 0.358 nan 8.290 nan 0.000 0.436 39 V N 3.637 123.552 119.914 0.001 0.000 2.407 39 V HA 0.328 4.637 4.120 0.315 0.000 0.291 39 V C -0.006 176.154 176.094 0.110 0.000 1.018 39 V CA -0.703 61.614 62.300 0.028 0.000 0.842 39 V CB 1.516 33.352 31.823 0.022 0.000 0.996 39 V HN 0.537 nan 8.190 nan 0.000 0.426 40 V N 6.939 126.940 119.914 0.145 0.000 2.532 40 V HA 0.410 4.719 4.120 0.315 0.000 0.295 40 V C -2.195 174.059 176.094 0.267 0.000 1.041 40 V CA -2.194 60.224 62.300 0.196 0.000 0.926 40 V CB 1.885 33.805 31.823 0.162 0.000 0.992 40 V HN 0.700 nan 8.190 nan 0.000 0.457 41 P HA 0.061 nan 4.420 nan 0.000 0.265 41 P C -0.470 177.052 177.300 0.370 0.000 1.187 41 P CA 0.357 63.587 63.100 0.216 0.000 0.766 41 P CB 0.194 31.976 31.700 0.135 0.000 0.820 42 F N 0.914 120.893 119.950 0.049 0.000 2.410 42 F HA 0.145 4.862 4.527 0.316 0.000 0.334 42 F C 1.622 177.490 175.800 0.112 0.000 1.134 42 F CA -0.786 57.258 58.000 0.074 0.000 1.227 42 F CB 0.612 39.655 39.000 0.071 0.000 1.194 42 F HN 0.266 nan 8.300 nan 0.000 0.571 43 Q N 3.328 123.288 119.800 0.266 0.000 2.373 43 Q HA 0.009 4.538 4.340 0.315 0.000 0.255 43 Q C -1.125 175.085 176.000 0.349 0.000 0.980 43 Q CA -0.195 55.744 55.803 0.227 0.000 0.882 43 Q CB 1.048 29.859 28.738 0.121 0.000 1.249 43 Q HN 0.710 nan 8.270 nan 0.000 0.438 44 W N 3.596 124.947 121.300 0.086 0.000 2.554 44 W HA 0.572 5.422 4.660 0.317 0.000 0.324 44 W C -1.366 175.196 176.519 0.071 0.000 1.018 44 W CA -0.996 56.400 57.345 0.085 0.000 1.243 44 W CB 1.162 30.664 29.460 0.071 0.000 1.345 44 W HN 0.772 nan 8.180 nan 0.000 0.441 45 A N 4.893 127.449 122.820 -0.441 0.000 3.051 45 A HA 0.527 5.036 4.320 0.315 0.000 0.257 45 A C 0.266 177.128 177.584 -1.204 0.000 1.785 45 A CA 0.649 52.306 52.037 -0.634 0.000 1.420 45 A CB -0.914 17.909 19.000 -0.295 0.000 1.063 45 A HN 0.799 nan 8.150 nan 0.000 0.630 46 G N 0.401 108.283 108.800 -1.531 0.000 2.576 46 G HA2 0.598 4.747 3.960 0.315 0.000 0.290 46 G HA3 0.598 4.747 3.960 0.315 0.000 0.290 46 G C -3.365 171.262 174.900 -0.456 0.000 1.442 46 G CA -0.829 43.659 45.100 -1.021 0.000 0.792 46 G HN 0.134 nan 8.290 nan 0.000 0.491 47 P HA 0.469 nan 4.420 nan 0.000 0.272 47 P C 0.973 178.442 177.300 0.282 0.000 1.223 47 P CA 1.378 64.527 63.100 0.081 0.000 0.784 47 P CB 1.102 32.845 31.700 0.073 0.000 0.923 48 G N 1.059 109.996 108.800 0.228 0.000 2.539 48 G HA2 0.042 4.192 3.960 0.315 0.000 0.256 48 G HA3 0.042 4.192 3.960 0.315 0.000 0.256 48 G C -0.345 174.753 174.900 0.330 0.000 1.233 48 G CA -0.044 45.199 45.100 0.239 0.000 0.936 48 G HN 0.813 nan 8.290 nan 0.000 0.571 49 A N -0.503 122.413 122.820 0.160 0.000 2.311 49 A HA 1.014 5.524 4.320 0.315 0.000 0.334 49 A C 0.827 178.100 177.584 -0.519 0.000 1.139 49 A CA 0.931 52.948 52.037 -0.032 0.000 0.830 49 A CB 1.008 19.966 19.000 -0.069 0.000 1.234 49 A HN 2.606 nan 8.150 nan 0.000 0.483 50 A N 1.711 123.974 122.820 -0.927 0.000 2.492 50 A HA 0.448 4.957 4.320 0.315 0.000 0.236 50 A C -0.981 176.089 177.584 -0.857 0.000 1.078 50 A CA -0.352 50.797 52.037 -1.479 0.000 0.773 50 A CB -0.443 18.028 19.000 -0.882 0.000 1.023 50 A HN 0.660 nan 8.150 nan 0.000 0.504 51 P HA 0.002 nan 4.420 nan 0.000 0.228 51 P C 0.029 177.068 177.300 -0.435 0.000 1.151 51 P CA 1.341 64.112 63.100 -0.548 0.000 0.770 51 P CB 0.219 31.534 31.700 -0.642 0.000 0.786 52 E N -0.638 119.284 120.200 -0.462 0.000 2.388 52 E HA 0.227 4.767 4.350 0.315 0.000 0.282 52 E C -1.917 174.475 176.600 -0.348 0.000 1.026 52 E CA -0.611 55.571 56.400 -0.363 0.000 0.820 52 E CB 0.533 30.020 29.700 -0.355 0.000 1.226 52 E HN -0.327 nan 8.360 nan 0.000 0.432 53 D N 5.345 125.563 120.400 -0.305 0.000 2.524 53 D HA 0.167 4.996 4.640 0.315 0.000 0.222 53 D C 1.014 177.093 176.300 -0.368 0.000 1.142 53 D CA -0.236 53.595 54.000 -0.282 0.000 0.973 53 D CB 0.084 40.759 40.800 -0.207 0.000 1.025 53 D HN 0.452 nan 8.370 nan 0.000 0.519 54 I N 1.920 122.201 120.570 -0.482 0.000 2.179 54 I HA -0.148 4.211 4.170 0.315 0.000 0.242 54 I C 2.332 177.948 176.117 -0.834 0.000 1.088 54 I CA 1.059 61.946 61.300 -0.689 0.000 1.357 54 I CB -1.277 36.218 38.000 -0.841 0.000 1.051 54 I HN 0.405 nan 8.210 nan 0.000 0.409 55 G N 0.776 109.023 108.800 -0.923 0.000 2.450 55 G HA2 -0.195 3.955 3.960 0.315 0.000 0.220 55 G HA3 -0.195 3.955 3.960 0.315 0.000 0.220 55 G C 1.743 176.494 174.900 -0.248 0.000 1.130 55 G CA 0.922 45.748 45.100 -0.457 0.000 0.760 55 G HN 0.491 nan 8.290 nan 0.000 0.557 56 G N 1.122 109.779 108.800 -0.238 0.000 2.421 56 G HA2 -0.176 3.974 3.960 0.315 0.000 0.216 56 G HA3 -0.176 3.974 3.960 0.315 0.000 0.216 56 G C 1.765 176.548 174.900 -0.196 0.000 1.171 56 G CA 0.835 45.834 45.100 -0.168 0.000 0.775 56 G HN 0.445 nan 8.290 nan 0.000 0.543 57 I N 0.351 120.752 120.570 -0.282 0.000 2.163 57 I HA -0.193 4.166 4.170 0.315 0.000 0.243 57 I C 2.796 178.755 176.117 -0.264 0.000 1.085 57 I CA 0.701 61.823 61.300 -0.296 0.000 1.347 57 I CB -0.361 37.385 38.000 -0.423 0.000 1.044 57 I HN 0.037 nan 8.210 nan 0.000 0.408 58 V N 1.002 120.744 119.914 -0.287 0.000 2.295 58 V HA -0.297 4.013 4.120 0.315 0.000 0.246 58 V C 2.739 178.691 176.094 -0.237 0.000 1.049 58 V CA 1.993 64.131 62.300 -0.271 0.000 1.024 58 V CB -1.057 30.646 31.823 -0.200 0.000 0.648 58 V HN 0.502 nan 8.190 nan 0.000 0.447 59 A N 0.137 122.864 122.820 -0.155 0.000 1.865 59 A HA -0.206 4.303 4.320 0.315 0.000 0.217 59 A C 2.455 179.995 177.584 -0.073 0.000 1.191 59 A CA 2.514 54.498 52.037 -0.088 0.000 0.623 59 A CB -0.999 17.980 19.000 -0.034 0.000 0.826 59 A HN 0.591 nan 8.150 nan 0.000 0.444 60 A N -0.053 122.724 122.820 -0.073 0.000 1.865 60 A HA -0.236 4.273 4.320 0.315 0.000 0.217 60 A C 1.825 179.387 177.584 -0.037 0.000 1.191 60 A CA 2.067 54.093 52.037 -0.019 0.000 0.623 60 A CB -0.816 18.178 19.000 -0.010 0.000 0.826 60 A HN 0.490 nan 8.150 nan 0.000 0.444 61 D N 0.153 120.441 120.400 -0.186 0.000 2.103 61 D HA -0.171 4.659 4.640 0.315 0.000 0.190 61 D C 1.979 177.993 176.300 -0.477 0.000 0.997 61 D CA 1.446 55.144 54.000 -0.504 0.000 0.833 61 D CB -0.536 39.497 40.800 -1.278 0.000 0.961 61 D HN 0.449 nan 8.370 nan 0.000 0.447 62 L N 0.241 121.228 121.223 -0.394 0.000 2.079 62 L HA -0.169 4.360 4.340 0.315 0.000 0.210 62 L C 2.671 179.654 176.870 0.187 0.000 1.081 62 L CA 1.074 55.865 54.840 -0.082 0.000 0.752 62 L CB -0.375 41.519 42.059 -0.275 0.000 0.896 62 L HN 0.019 nan 8.230 nan 0.000 0.433 63 R N 0.363 120.939 120.500 0.127 0.000 2.075 63 R HA -0.135 4.394 4.340 0.315 0.000 0.232 63 R C 2.002 178.410 176.300 0.179 0.000 1.126 63 R CA 1.379 57.599 56.100 0.201 0.000 0.963 63 R CB -0.072 30.335 30.300 0.179 0.000 0.858 63 R HN 0.371 nan 8.270 nan 0.000 0.435 64 N N 0.472 119.265 118.700 0.156 0.000 2.364 64 N HA -0.136 4.793 4.740 0.315 0.000 0.183 64 N C 1.587 176.961 175.510 -0.227 0.000 1.022 64 N CA 1.562 54.681 53.050 0.116 0.000 0.883 64 N CB -0.138 38.561 38.487 0.354 0.000 0.965 64 N HN 0.347 nan 8.380 nan 0.000 0.438 65 S N -0.950 114.747 115.700 -0.005 0.000 2.481 65 S HA 0.099 4.758 4.470 0.315 0.000 0.231 65 S C 1.600 176.062 174.600 -0.229 0.000 0.996 65 S CA 0.859 59.028 58.200 -0.051 0.000 0.942 65 S CB -0.136 63.236 63.200 0.287 0.000 0.768 65 S HN 0.410 nan 8.310 nan 0.000 0.520 66 G N 1.390 109.999 108.800 -0.317 0.000 2.179 66 G HA2 -0.291 3.858 3.960 0.315 0.000 0.260 66 G HA3 -0.291 3.858 3.960 0.315 0.000 0.260 66 G C 0.730 175.677 174.900 0.080 0.000 0.977 66 G CA 0.587 45.613 45.100 -0.123 0.000 0.641 66 G HN 0.588 nan 8.290 nan 0.000 0.533 67 K N -1.188 119.286 120.400 0.124 0.000 2.353 67 K HA 0.446 4.955 4.320 0.315 0.000 0.195 67 K C -0.044 176.375 176.600 -0.301 0.000 1.031 67 K CA 0.163 56.416 56.287 -0.056 0.000 1.079 67 K CB 0.564 33.033 32.500 -0.052 0.000 0.857 67 K HN 0.330 nan 8.250 nan 0.000 0.535 68 F N 0.072 120.099 119.950 0.129 0.000 2.599 68 F HA 0.300 5.015 4.527 0.313 0.000 0.311 68 F C -0.248 175.616 175.800 0.107 0.000 1.076 68 F CA -1.334 56.731 58.000 0.109 0.000 0.937 68 F CB 1.455 40.525 39.000 0.117 0.000 1.282 68 F HN -0.239 nan 8.300 nan 0.000 0.460 69 N N 2.872 121.743 118.700 0.284 0.000 2.776 69 N HA 0.426 5.355 4.740 0.315 0.000 0.245 69 N C -3.137 172.491 175.510 0.196 0.000 1.121 69 N CA -2.339 50.833 53.050 0.203 0.000 0.852 69 N CB 1.008 39.583 38.487 0.145 0.000 1.142 69 N HN 0.050 nan 8.380 nan 0.000 0.514 70 P HA 0.128 nan 4.420 nan 0.000 0.275 70 P C -0.165 177.221 177.300 0.142 0.000 1.227 70 P CA -0.613 62.576 63.100 0.148 0.000 0.781 70 P CB 0.796 32.554 31.700 0.097 0.000 0.906 71 L N 3.836 125.159 121.223 0.168 0.000 2.499 71 L HA 0.079 4.609 4.340 0.315 0.000 0.273 71 L C 0.632 177.584 176.870 0.137 0.000 1.195 71 L CA 0.298 55.240 54.840 0.170 0.000 0.882 71 L CB -0.451 41.759 42.059 0.252 0.000 1.133 71 L HN 0.427 nan 8.230 nan 0.000 0.483 72 D N 4.395 124.858 120.400 0.104 0.000 2.362 72 D HA -0.005 4.824 4.640 0.315 0.000 0.242 72 D C 0.822 177.172 176.300 0.083 0.000 1.132 72 D CA -0.257 53.794 54.000 0.084 0.000 0.907 72 D CB 0.723 41.562 40.800 0.065 0.000 1.195 72 D HN 0.623 nan 8.370 nan 0.000 0.429 73 R N 1.445 121.990 120.500 0.074 0.000 2.119 73 R HA -0.195 4.334 4.340 0.315 0.000 0.246 73 R C 2.194 178.527 176.300 0.056 0.000 1.146 73 R CA 2.167 58.310 56.100 0.072 0.000 0.962 73 R CB -0.532 29.802 30.300 0.057 0.000 0.863 73 R HN 0.682 nan 8.270 nan 0.000 0.442 74 A N 0.535 123.381 122.820 0.042 0.000 2.076 74 A HA -0.163 4.346 4.320 0.315 0.000 0.220 74 A C 1.761 179.356 177.584 0.020 0.000 1.160 74 A CA 1.329 53.383 52.037 0.029 0.000 0.653 74 A CB -0.218 18.797 19.000 0.024 0.000 0.801 74 A HN 0.275 nan 8.150 nan 0.000 0.455 75 R N -1.065 119.451 120.500 0.026 0.000 2.397 75 R HA 0.316 4.845 4.340 0.315 0.000 0.241 75 R C -0.422 175.861 176.300 -0.028 0.000 0.914 75 R CA -0.367 55.735 56.100 0.003 0.000 1.071 75 R CB 0.028 30.338 30.300 0.017 0.000 1.116 75 R HN 0.380 nan 8.270 nan 0.000 0.524 76 L N 3.833 125.059 121.223 0.005 0.000 2.559 76 L HA 0.018 4.548 4.340 0.315 0.000 0.274 76 L C -0.998 175.765 176.870 -0.178 0.000 1.205 76 L CA -0.764 54.055 54.840 -0.034 0.000 0.907 76 L CB 0.295 42.425 42.059 0.117 0.000 1.153 76 L HN -0.056 nan 8.230 nan 0.000 0.490 77 P HA -0.066 nan 4.420 nan 0.000 0.231 77 P C -0.338 176.810 177.300 -0.253 0.000 1.168 77 P CA 0.757 63.634 63.100 -0.371 0.000 0.779 77 P CB 0.551 31.914 31.700 -0.563 0.000 0.844 78 Q N -1.781 117.902 119.800 -0.195 0.000 2.575 78 Q HA 0.431 4.960 4.340 0.315 0.000 0.290 78 Q C -1.025 175.065 176.000 0.150 0.000 0.963 78 Q CA -0.897 54.905 55.803 -0.001 0.000 0.783 78 Q CB 0.926 29.683 28.738 0.032 0.000 1.467 78 Q HN -0.193 nan 8.270 nan 0.000 0.402 79 Q N 1.109 120.995 119.800 0.144 0.000 2.851 79 Q HA 0.312 4.841 4.340 0.315 0.000 0.331 79 Q C -2.302 173.786 176.000 0.146 0.000 0.979 79 Q CA -1.650 54.255 55.803 0.171 0.000 0.955 79 Q CB 1.213 30.026 28.738 0.125 0.000 1.298 79 Q HN 0.486 nan 8.270 nan 0.000 0.432 80 P HA 0.006 nan 4.420 nan 0.000 0.268 80 P C 0.528 177.867 177.300 0.064 0.000 1.204 80 P CA 0.235 63.401 63.100 0.109 0.000 0.768 80 P CB 1.088 32.863 31.700 0.126 0.000 0.842 81 G N 0.756 109.579 108.800 0.038 0.000 3.189 81 G HA2 0.265 4.414 3.960 0.315 0.000 0.225 81 G HA3 0.265 4.414 3.960 0.315 0.000 0.225 81 G C 0.203 175.080 174.900 -0.038 0.000 1.159 81 G CA 0.147 45.253 45.100 0.010 0.000 0.763 81 G HN 0.758 nan 8.290 nan 0.000 0.549 82 S N -2.511 113.166 115.700 -0.038 0.000 2.615 82 S HA 0.636 5.295 4.470 0.315 0.000 0.269 82 S C 0.883 175.451 174.600 -0.054 0.000 1.161 82 S CA 0.275 58.438 58.200 -0.062 0.000 0.817 82 S CB 1.189 64.363 63.200 -0.043 0.000 1.131 82 S HN 0.512 nan 8.310 nan 0.000 0.467 83 A N 0.738 123.517 122.820 -0.069 0.000 1.969 83 A HA -0.009 4.500 4.320 0.315 0.000 0.218 83 A C 2.029 179.595 177.584 -0.028 0.000 1.169 83 A CA 1.491 53.492 52.037 -0.059 0.000 0.635 83 A CB -1.026 17.930 19.000 -0.073 0.000 0.810 83 A HN 0.851 nan 8.150 nan 0.000 0.445 84 Q N -0.337 119.448 119.800 -0.024 0.000 2.291 84 Q HA -0.128 4.401 4.340 0.315 0.000 0.205 84 Q C 1.238 177.244 176.000 0.009 0.000 0.970 84 Q CA 1.308 57.106 55.803 -0.009 0.000 0.876 84 Q CB -0.187 28.543 28.738 -0.014 0.000 0.935 84 Q HN 0.755 nan 8.270 nan 0.000 0.455 85 E N 0.673 120.882 120.200 0.014 0.000 2.478 85 E HA 0.048 4.588 4.350 0.315 0.000 0.194 85 E C -0.169 176.475 176.600 0.074 0.000 1.045 85 E CA -0.211 56.212 56.400 0.038 0.000 0.868 85 E CB 0.576 30.298 29.700 0.038 0.000 0.885 85 E HN 0.023 nan 8.360 nan 0.000 0.505 86 V N 2.322 122.279 119.914 0.071 0.000 2.585 86 V HA -0.069 4.240 4.120 0.315 0.000 0.296 86 V C 0.306 176.489 176.094 0.149 0.000 1.035 86 V CA 0.598 62.978 62.300 0.132 0.000 1.084 86 V CB 0.914 32.766 31.823 0.049 0.000 0.953 86 V HN 0.175 nan 8.190 nan 0.000 0.483 87 Q N 6.193 126.131 119.800 0.230 0.000 2.466 87 Q HA 0.246 4.775 4.340 0.315 0.000 0.242 87 Q C -1.815 174.346 176.000 0.269 0.000 1.046 87 Q CA -1.723 54.185 55.803 0.174 0.000 0.841 87 Q CB 1.557 30.362 28.738 0.111 0.000 1.193 87 Q HN 0.503 nan 8.270 nan 0.000 0.508 88 P HA -0.228 nan 4.420 nan 0.000 0.216 88 P C 0.977 178.414 177.300 0.229 0.000 1.150 88 P CA 1.324 64.563 63.100 0.233 0.000 0.843 88 P CB 0.320 32.092 31.700 0.120 0.000 0.787 89 A N -0.167 122.734 122.820 0.135 0.000 2.019 89 A HA -0.078 4.432 4.320 0.315 0.000 0.219 89 A C 2.234 179.850 177.584 0.052 0.000 1.164 89 A CA 1.779 53.866 52.037 0.083 0.000 0.644 89 A CB -1.443 17.584 19.000 0.046 0.000 0.805 89 A HN 0.205 nan 8.150 nan 0.000 0.449 90 A N -1.797 121.032 122.820 0.016 0.000 2.067 90 A HA -0.021 4.488 4.320 0.315 0.000 0.219 90 A C 1.769 179.196 177.584 -0.262 0.000 1.158 90 A CA 1.147 53.078 52.037 -0.177 0.000 0.661 90 A CB -0.624 18.173 19.000 -0.337 0.000 0.801 90 A HN 0.765 nan 8.150 nan 0.000 0.452 91 W N -0.247 121.068 121.300 0.025 0.000 2.735 91 W HA 0.046 4.896 4.660 0.316 0.000 0.264 91 W C 2.675 179.212 176.519 0.030 0.000 1.233 91 W CA 0.693 58.056 57.345 0.031 0.000 1.408 91 W CB -0.318 29.163 29.460 0.035 0.000 1.038 91 W HN 0.343 nan 8.180 nan 0.000 0.603 92 S N 0.686 116.520 115.700 0.223 0.000 2.402 92 S HA -0.095 4.564 4.470 0.315 0.000 0.229 92 S C 1.942 176.595 174.600 0.089 0.000 1.021 92 S CA 1.104 59.387 58.200 0.137 0.000 0.974 92 S CB -0.827 62.437 63.200 0.106 0.000 0.800 92 S HN 0.113 nan 8.310 nan 0.000 0.484 93 A N 1.199 124.055 122.820 0.060 0.000 2.125 93 A HA 0.254 4.763 4.320 0.315 0.000 0.219 93 A C 1.984 179.584 177.584 0.027 0.000 1.156 93 A CA 0.992 53.044 52.037 0.025 0.000 0.671 93 A CB -0.560 18.434 19.000 -0.011 0.000 0.794 93 A HN 0.596 nan 8.150 nan 0.000 0.459 94 L N -1.622 119.632 121.223 0.052 0.000 2.728 94 L HA 0.286 4.815 4.340 0.315 0.000 0.238 94 L C 1.373 178.300 176.870 0.094 0.000 1.143 94 L CA 0.360 55.237 54.840 0.061 0.000 0.937 94 L CB 0.180 42.276 42.059 0.061 0.000 1.225 94 L HN 0.495 nan 8.230 nan 0.000 0.507 95 G N 1.435 110.293 108.800 0.097 0.000 2.176 95 G HA2 -0.281 3.868 3.960 0.315 0.000 0.252 95 G HA3 -0.281 3.868 3.960 0.315 0.000 0.252 95 G C 0.030 175.002 174.900 0.120 0.000 1.024 95 G CA -0.001 45.154 45.100 0.091 0.000 0.755 95 G HN 0.319 nan 8.290 nan 0.000 0.507 96 I N 0.907 121.581 120.570 0.172 0.000 2.362 96 I HA 0.312 4.671 4.170 0.315 0.000 0.289 96 I C 0.578 176.793 176.117 0.163 0.000 0.994 96 I CA -0.535 60.885 61.300 0.200 0.000 1.158 96 I CB 1.548 39.751 38.000 0.338 0.000 1.315 96 I HN 0.212 nan 8.210 nan 0.000 0.451 97 D N 4.829 125.291 120.400 0.103 0.000 2.433 97 D HA 0.301 5.131 4.640 0.315 0.000 0.211 97 D C -0.056 176.258 176.300 0.023 0.000 1.114 97 D CA -0.089 53.952 54.000 0.068 0.000 0.837 97 D CB 0.843 41.678 40.800 0.060 0.000 0.984 97 D HN 0.399 nan 8.370 nan 0.000 0.505 98 A N -0.401 122.412 122.820 -0.011 0.000 2.594 98 A HA 0.659 5.168 4.320 0.315 0.000 0.295 98 A C -1.667 175.790 177.584 -0.212 0.000 1.071 98 A CA -0.677 51.312 52.037 -0.080 0.000 0.685 98 A CB 2.005 20.998 19.000 -0.011 0.000 1.285 98 A HN 0.040 nan 8.150 nan 0.000 0.405 99 V N 1.221 120.956 119.914 -0.297 0.000 2.686 99 V HA 0.492 4.802 4.120 0.315 0.000 0.306 99 V C -0.627 175.316 176.094 -0.251 0.000 1.065 99 V CA -0.613 61.406 62.300 -0.470 0.000 0.894 99 V CB 1.878 33.188 31.823 -0.854 0.000 1.004 99 V HN 0.783 nan 8.190 nan 0.000 0.424 100 V N 5.558 125.366 119.914 -0.175 0.000 2.407 100 V HA 0.671 4.980 4.120 0.315 0.000 0.278 100 V C 0.055 176.120 176.094 -0.048 0.000 1.037 100 V CA -0.289 61.985 62.300 -0.042 0.000 0.900 100 V CB 1.548 33.394 31.823 0.038 0.000 0.983 100 V HN 0.771 nan 8.190 nan 0.000 0.459 101 V N 2.143 121.984 119.914 -0.122 0.000 3.155 101 V HA 1.165 5.474 4.120 0.315 0.000 0.313 101 V C 0.094 175.779 176.094 -0.681 0.000 1.162 101 V CA -0.197 61.951 62.300 -0.253 0.000 1.048 101 V CB 1.732 33.454 31.823 -0.168 0.000 1.092 101 V HN 1.148 nan 8.190 nan 0.000 0.447 102 G N 0.333 108.541 108.800 -0.987 0.000 2.441 102 G HA2 0.635 4.784 3.960 0.315 0.000 0.294 102 G HA3 0.635 4.784 3.960 0.315 0.000 0.294 102 G C -2.283 172.234 174.900 -0.639 0.000 1.393 102 G CA -0.682 43.594 45.100 -1.372 0.000 0.796 102 G HN 0.930 nan 8.290 nan 0.000 0.494 103 Q N -1.407 118.272 119.800 -0.200 0.000 2.377 103 Q HA 0.668 5.197 4.340 0.315 0.000 0.279 103 Q C -1.016 175.162 176.000 0.296 0.000 1.049 103 Q CA -0.713 55.157 55.803 0.110 0.000 0.825 103 Q CB 2.961 31.725 28.738 0.043 0.000 1.401 103 Q HN 0.579 nan 8.270 nan 0.000 0.404 104 V N 1.392 121.541 119.914 0.390 0.000 2.487 104 V HA 0.845 5.154 4.120 0.315 0.000 0.298 104 V C -0.641 175.789 176.094 0.559 0.000 1.028 104 V CA -0.573 61.994 62.300 0.445 0.000 0.860 104 V CB 1.810 33.852 31.823 0.365 0.000 0.991 104 V HN 0.936 nan 8.190 nan 0.000 0.427 105 T N 3.324 118.155 114.554 0.461 0.000 2.893 105 T HA 0.713 5.252 4.350 0.315 0.000 0.291 105 T C -3.110 171.839 174.700 0.415 0.000 1.028 105 T CA -2.291 60.013 62.100 0.341 0.000 0.995 105 T CB 2.676 71.632 68.868 0.147 0.000 1.051 105 T HN 0.456 nan 8.240 nan 0.000 0.470 106 P HA 0.396 nan 4.420 nan 0.000 0.286 106 P C -1.009 176.273 177.300 -0.029 0.000 1.261 106 P CA -0.644 62.506 63.100 0.084 0.000 0.821 106 P CB 0.953 32.720 31.700 0.112 0.000 1.013 107 N N 2.692 121.321 118.700 -0.117 0.000 2.443 107 N HA 0.288 5.218 4.740 0.315 0.000 0.293 107 N C -1.643 173.819 175.510 -0.080 0.000 1.159 107 N CA -1.848 51.161 53.050 -0.069 0.000 0.904 107 N CB 0.385 38.844 38.487 -0.046 0.000 1.214 107 N HN 0.253 nan 8.380 nan 0.000 0.513 108 P HA -0.098 nan 4.420 nan 0.000 0.220 108 P C 0.423 177.701 177.300 -0.036 0.000 1.148 108 P CA 1.164 64.243 63.100 -0.036 0.000 0.803 108 P CB 0.100 31.786 31.700 -0.023 0.000 0.782 109 D N -1.313 119.065 120.400 -0.036 0.000 2.378 109 D HA 0.042 4.871 4.640 0.315 0.000 0.227 109 D C 1.457 177.733 176.300 -0.040 0.000 1.012 109 D CA 0.801 54.785 54.000 -0.027 0.000 0.905 109 D CB -0.921 39.871 40.800 -0.013 0.000 0.895 109 D HN 0.272 nan 8.370 nan 0.000 0.532 110 G N -0.265 108.485 108.800 -0.084 0.000 2.213 110 G HA2 -0.288 3.862 3.960 0.315 0.000 0.236 110 G HA3 -0.288 3.862 3.960 0.315 0.000 0.236 110 G C 0.505 175.274 174.900 -0.218 0.000 0.991 110 G CA 0.427 45.459 45.100 -0.113 0.000 0.629 110 G HN 0.844 nan 8.290 nan 0.000 0.517 111 S N -0.599 114.995 115.700 -0.175 0.000 2.661 111 S HA 0.772 5.432 4.470 0.315 0.000 0.265 111 S C -0.159 174.210 174.600 -0.385 0.000 1.225 111 S CA -0.290 57.829 58.200 -0.135 0.000 0.986 111 S CB 1.297 64.506 63.200 0.016 0.000 1.008 111 S HN 0.579 nan 8.310 nan 0.000 0.565 112 Y N -0.539 119.843 120.300 0.136 0.000 2.536 112 Y HA 0.488 5.227 4.550 0.316 0.000 0.347 112 Y C 0.043 176.041 175.900 0.163 0.000 1.000 112 Y CA -1.123 57.074 58.100 0.163 0.000 1.051 112 Y CB 1.748 40.304 38.460 0.161 0.000 1.259 112 Y HN 0.613 nan 8.280 nan 0.000 0.468 113 N N 1.175 120.074 118.700 0.332 0.000 2.400 113 N HA 0.458 5.388 4.740 0.315 0.000 0.288 113 N C -1.502 174.182 175.510 0.290 0.000 1.024 113 N CA -0.411 52.789 53.050 0.251 0.000 0.894 113 N CB 2.303 40.887 38.487 0.163 0.000 1.173 113 N HN 0.257 nan 8.380 nan 0.000 0.487 114 V N 1.282 121.371 119.914 0.290 0.000 2.407 114 V HA 0.705 5.014 4.120 0.315 0.000 0.291 114 V C -0.268 175.986 176.094 0.267 0.000 1.018 114 V CA -0.702 61.800 62.300 0.336 0.000 0.842 114 V CB 1.162 33.219 31.823 0.389 0.000 0.996 114 V HN 0.804 nan 8.190 nan 0.000 0.426 115 A N 5.280 128.229 122.820 0.214 0.000 2.401 115 A HA 0.977 5.487 4.320 0.315 0.000 0.310 115 A C -1.261 176.336 177.584 0.022 0.000 1.075 115 A CA -0.565 51.483 52.037 0.018 0.000 0.746 115 A CB 1.648 20.592 19.000 -0.094 0.000 1.277 115 A HN 1.104 nan 8.150 nan 0.000 0.425 116 Y N -0.448 119.792 120.300 -0.099 0.000 2.605 116 Y HA 0.840 5.580 4.550 0.317 0.000 0.343 116 Y C -0.820 174.980 175.900 -0.167 0.000 1.036 116 Y CA -1.218 56.764 58.100 -0.197 0.000 1.065 116 Y CB 1.392 39.891 38.460 0.064 0.000 1.288 116 Y HN 0.553 nan 8.280 nan 0.000 0.481 117 Q N 2.381 122.028 119.800 -0.254 0.000 2.331 117 Q HA 0.500 5.030 4.340 0.315 0.000 0.272 117 Q C -1.739 174.273 176.000 0.019 0.000 1.062 117 Q CA -0.682 54.972 55.803 -0.248 0.000 0.806 117 Q CB 3.075 31.682 28.738 -0.218 0.000 1.312 117 Q HN 0.872 nan 8.270 nan 0.000 0.431 118 L N 2.932 124.203 121.223 0.081 0.000 2.280 118 L HA 0.670 5.199 4.340 0.315 0.000 0.287 118 L C -1.325 175.542 176.870 -0.005 0.000 1.023 118 L CA -0.876 54.019 54.840 0.091 0.000 0.819 118 L CB 0.878 43.039 42.059 0.170 0.000 1.212 118 L HN 0.477 nan 8.230 nan 0.000 0.420 119 V N 4.118 123.997 119.914 -0.058 0.000 2.448 119 V HA 0.240 4.549 4.120 0.315 0.000 0.295 119 V C -0.047 176.004 176.094 -0.071 0.000 1.025 119 V CA -0.872 61.386 62.300 -0.070 0.000 0.859 119 V CB 1.769 33.535 31.823 -0.095 0.000 0.988 119 V HN 0.644 nan 8.190 nan 0.000 0.431 120 D N 3.571 123.949 120.400 -0.037 0.000 2.383 120 D HA 0.079 4.908 4.640 0.315 0.000 0.252 120 D C 0.774 177.063 176.300 -0.018 0.000 1.166 120 D CA 0.207 54.195 54.000 -0.020 0.000 0.879 120 D CB 1.689 42.488 40.800 -0.003 0.000 1.164 120 D HN 0.761 nan 8.370 nan 0.000 0.462 121 T N 0.639 115.187 114.554 -0.011 0.000 3.296 121 T HA 0.473 5.012 4.350 0.315 0.000 0.285 121 T C 0.777 175.516 174.700 0.065 0.000 1.014 121 T CA -0.231 61.890 62.100 0.034 0.000 0.920 121 T CB 0.686 69.579 68.868 0.043 0.000 1.143 121 T HN 0.297 nan 8.240 nan 0.000 0.522 122 G N 1.324 110.151 108.800 0.045 0.000 2.694 122 G HA2 0.507 4.656 3.960 0.315 0.000 0.212 122 G HA3 0.507 4.656 3.960 0.315 0.000 0.212 122 G C 1.224 176.146 174.900 0.037 0.000 2.030 122 G CA 0.122 45.251 45.100 0.048 0.000 0.731 122 G HN 0.333 nan 8.290 nan 0.000 0.795 123 G N -0.075 108.741 108.800 0.028 0.000 2.777 123 G HA2 0.392 4.541 3.960 0.315 0.000 0.211 123 G HA3 0.392 4.541 3.960 0.315 0.000 0.211 123 G C 0.676 175.587 174.900 0.018 0.000 1.149 123 G CA 1.272 46.385 45.100 0.022 0.000 0.785 123 G HN 0.988 nan 8.290 nan 0.000 0.536 124 A N 1.320 124.150 122.820 0.017 0.000 3.204 124 A HA 0.642 5.151 4.320 0.315 0.000 0.327 124 A C -2.646 174.946 177.584 0.013 0.000 0.998 124 A CA -1.212 50.833 52.037 0.013 0.000 0.891 124 A CB 0.813 19.817 19.000 0.008 0.000 1.061 124 A HN 0.099 nan 8.150 nan 0.000 0.478 125 P HA 0.243 nan 4.420 nan 0.000 0.267 125 P C 1.122 178.433 177.300 0.018 0.000 1.205 125 P CA 1.831 64.947 63.100 0.027 0.000 0.765 125 P CB 0.993 32.716 31.700 0.038 0.000 0.828 126 G N 2.161 110.968 108.800 0.013 0.000 2.205 126 G HA2 -0.235 3.914 3.960 0.315 0.000 0.261 126 G HA3 -0.235 3.914 3.960 0.315 0.000 0.261 126 G C 0.351 175.245 174.900 -0.010 0.000 0.980 126 G CA 0.275 45.377 45.100 0.003 0.000 0.632 126 G HN 0.622 nan 8.290 nan 0.000 0.533 127 T N 1.213 115.763 114.554 -0.008 0.000 2.901 127 T HA 0.427 4.967 4.350 0.315 0.000 0.301 127 T C 0.650 175.337 174.700 -0.021 0.000 1.012 127 T CA 0.050 62.143 62.100 -0.013 0.000 1.135 127 T CB 1.929 70.793 68.868 -0.006 0.000 0.936 127 T HN 0.426 nan 8.240 nan 0.000 0.539 128 V N 6.246 126.143 119.914 -0.029 0.000 2.389 128 V HA 0.142 4.452 4.120 0.315 0.000 0.264 128 V C 1.262 177.341 176.094 -0.025 0.000 1.049 128 V CA -0.008 62.268 62.300 -0.039 0.000 0.932 128 V CB 0.524 32.309 31.823 -0.063 0.000 1.011 128 V HN 0.840 nan 8.190 nan 0.000 0.475 129 L N 3.907 125.125 121.223 -0.008 0.000 2.270 129 L HA 0.418 4.948 4.340 0.315 0.000 0.210 129 L C 0.949 177.836 176.870 0.029 0.000 1.104 129 L CA 0.959 55.806 54.840 0.012 0.000 0.804 129 L CB 0.080 42.151 42.059 0.021 0.000 0.937 129 L HN 0.777 nan 8.230 nan 0.000 0.450 130 A N -0.052 122.790 122.820 0.036 0.000 2.599 130 A HA 0.641 5.151 4.320 0.315 0.000 0.294 130 A C -1.596 175.938 177.584 -0.083 0.000 1.055 130 A CA -0.544 51.528 52.037 0.058 0.000 0.683 130 A CB 1.415 20.537 19.000 0.202 0.000 1.278 130 A HN 0.105 nan 8.150 nan 0.000 0.412 131 Q N 0.979 120.625 119.800 -0.257 0.000 2.578 131 Q HA 0.761 5.291 4.340 0.315 0.000 0.284 131 Q C -1.704 173.922 176.000 -0.623 0.000 0.960 131 Q CA -1.059 54.306 55.803 -0.729 0.000 0.809 131 Q CB 1.818 30.293 28.738 -0.439 0.000 1.462 131 Q HN 0.653 nan 8.270 nan 0.000 0.392 132 N N -0.306 117.882 118.700 -0.854 0.000 3.046 132 N HA 0.524 5.453 4.740 0.315 0.000 0.243 132 N C -2.092 173.077 175.510 -0.569 0.000 1.452 132 N CA -0.249 52.514 53.050 -0.478 0.000 0.882 132 N CB 2.718 41.101 38.487 -0.174 0.000 1.425 132 N HN 0.620 nan 8.380 nan 0.000 0.517 133 S N 0.552 115.904 115.700 -0.579 0.000 2.547 133 S HA 0.751 5.411 4.470 0.315 0.000 0.281 133 S C -1.865 172.400 174.600 -0.559 0.000 1.118 133 S CA -0.437 57.467 58.200 -0.493 0.000 0.947 133 S CB 0.316 63.391 63.200 -0.207 0.000 1.053 133 S HN 0.362 nan 8.310 nan 0.000 0.482 134 Y N 1.979 122.364 120.300 0.143 0.000 2.425 134 Y HA 0.505 5.245 4.550 0.318 0.000 0.344 134 Y C 0.058 176.049 175.900 0.152 0.000 0.969 134 Y CA -0.957 57.232 58.100 0.147 0.000 1.052 134 Y CB 1.394 39.962 38.460 0.181 0.000 1.215 134 Y HN 0.538 nan 8.280 nan 0.000 0.451 135 K N 3.887 124.444 120.400 0.262 0.000 2.253 135 K HA 0.630 5.139 4.320 0.315 0.000 0.277 135 K C -1.211 175.521 176.600 0.221 0.000 1.053 135 K CA -0.502 55.910 56.287 0.208 0.000 0.892 135 K CB 0.493 33.071 32.500 0.130 0.000 1.102 135 K HN 0.648 nan 8.250 nan 0.000 0.469 136 V N 0.939 121.009 119.914 0.260 0.000 3.040 136 V HA 0.503 4.812 4.120 0.315 0.000 0.312 136 V C -0.646 175.623 176.094 0.292 0.000 1.115 136 V CA -1.325 61.134 62.300 0.264 0.000 0.998 136 V CB 1.567 33.590 31.823 0.333 0.000 1.042 136 V HN 0.923 nan 8.190 nan 0.000 0.433 137 N N 1.636 120.509 118.700 0.290 0.000 2.379 137 N HA 0.324 5.253 4.740 0.315 0.000 0.260 137 N C 0.614 176.328 175.510 0.340 0.000 1.254 137 N CA -0.458 52.777 53.050 0.308 0.000 0.958 137 N CB 0.303 38.920 38.487 0.218 0.000 1.208 137 N HN 0.701 nan 8.380 nan 0.000 0.532 138 K N -0.420 120.165 120.400 0.308 0.000 2.074 138 K HA -0.226 4.283 4.320 0.315 0.000 0.209 138 K C 1.386 178.005 176.600 0.032 0.000 1.048 138 K CA 1.815 58.215 56.287 0.188 0.000 0.926 138 K CB -0.328 32.277 32.500 0.174 0.000 0.713 138 K HN 0.589 nan 8.250 nan 0.000 0.444 139 Q N -1.049 118.747 119.800 -0.007 0.000 2.515 139 Q HA -0.099 4.431 4.340 0.315 0.000 0.212 139 Q C 0.534 176.198 176.000 -0.559 0.000 0.970 139 Q CA 0.881 56.520 55.803 -0.274 0.000 0.941 139 Q CB -0.019 28.519 28.738 -0.333 0.000 0.998 139 Q HN 0.410 nan 8.270 nan 0.000 0.518 140 W N -1.078 120.242 121.300 0.034 0.000 2.818 140 W HA 0.349 5.196 4.660 0.312 0.000 0.403 140 W C 0.634 177.206 176.519 0.088 0.000 0.991 140 W CA -0.475 56.904 57.345 0.057 0.000 1.925 140 W CB 0.315 29.781 29.460 0.010 0.000 1.166 140 W HN 0.044 nan 8.180 nan 0.000 0.605 141 L N 0.330 121.622 121.223 0.113 0.000 2.042 141 L HA -0.215 4.315 4.340 0.315 0.000 0.210 141 L C 2.610 179.448 176.870 -0.054 0.000 1.076 141 L CA 1.499 56.347 54.840 0.013 0.000 0.749 141 L CB -0.479 41.493 42.059 -0.146 0.000 0.893 141 L HN 0.015 nan 8.230 nan 0.000 0.432 142 R N -1.114 119.318 120.500 -0.114 0.000 2.073 142 R HA -0.223 4.307 4.340 0.315 0.000 0.234 142 R C 2.299 178.496 176.300 -0.172 0.000 1.134 142 R CA 1.775 57.715 56.100 -0.266 0.000 0.952 142 R CB -0.731 29.420 30.300 -0.249 0.000 0.850 142 R HN 0.266 nan 8.270 nan 0.000 0.433 143 Y N 1.511 121.842 120.300 0.053 0.000 2.102 143 Y HA -0.352 4.386 4.550 0.313 0.000 0.280 143 Y C 2.369 178.304 175.900 0.058 0.000 1.178 143 Y CA 1.811 60.045 58.100 0.223 0.000 1.146 143 Y CB -0.387 38.352 38.460 0.466 0.000 0.968 143 Y HN 0.104 nan 8.280 nan 0.000 0.504 144 A N -0.189 122.703 122.820 0.120 0.000 1.873 144 A HA -0.084 4.425 4.320 0.315 0.000 0.215 144 A C 2.525 180.043 177.584 -0.109 0.000 1.186 144 A CA 1.653 53.664 52.037 -0.043 0.000 0.616 144 A CB -1.722 17.389 19.000 0.186 0.000 0.823 144 A HN 0.594 nan 8.150 nan 0.000 0.442 145 G N -0.948 107.769 108.800 -0.138 0.000 2.469 145 G HA2 -0.298 3.851 3.960 0.315 0.000 0.219 145 G HA3 -0.298 3.851 3.960 0.315 0.000 0.219 145 G C 1.383 176.158 174.900 -0.208 0.000 1.150 145 G CA 1.350 46.313 45.100 -0.228 0.000 0.763 145 G HN 0.790 nan 8.290 nan 0.000 0.561 146 H N -0.390 118.587 119.070 -0.155 0.000 2.423 146 H HA -0.007 4.741 4.556 0.319 0.000 0.297 146 H C 2.894 178.128 175.328 -0.158 0.000 1.075 146 H CA 1.259 57.237 56.048 -0.117 0.000 1.342 146 H CB 0.204 29.942 29.762 -0.041 0.000 1.395 146 H HN 0.322 nan 8.280 nan 0.000 0.530 147 T N 0.274 114.700 114.554 -0.213 0.000 2.777 147 T HA -0.117 4.422 4.350 0.315 0.000 0.266 147 T C 2.383 177.015 174.700 -0.113 0.000 1.040 147 T CA 0.888 62.814 62.100 -0.290 0.000 1.141 147 T CB -0.363 68.066 68.868 -0.732 0.000 0.868 147 T HN 0.455 nan 8.240 nan 0.000 0.444 148 A N 1.841 124.627 122.820 -0.058 0.000 1.883 148 A HA -0.140 4.369 4.320 0.315 0.000 0.217 148 A C 2.609 180.019 177.584 -0.290 0.000 1.186 148 A CA 2.121 54.050 52.037 -0.180 0.000 0.624 148 A CB -1.074 17.909 19.000 -0.029 0.000 0.822 148 A HN 0.451 nan 8.150 nan 0.000 0.444 149 S N 0.289 115.892 115.700 -0.161 0.000 2.374 149 S HA -0.202 4.458 4.470 0.315 0.000 0.227 149 S C 1.638 176.335 174.600 0.162 0.000 1.037 149 S CA 1.583 59.700 58.200 -0.139 0.000 1.024 149 S CB -0.535 62.427 63.200 -0.397 0.000 0.861 149 S HN 0.618 nan 8.310 nan 0.000 0.456 150 D N 1.047 121.592 120.400 0.241 0.000 2.104 150 D HA -0.086 4.743 4.640 0.315 0.000 0.194 150 D C 2.086 178.486 176.300 0.167 0.000 0.994 150 D CA 1.081 55.217 54.000 0.228 0.000 0.830 150 D CB -0.306 40.539 40.800 0.075 0.000 0.959 150 D HN 0.524 nan 8.370 nan 0.000 0.452 151 E N -0.018 120.222 120.200 0.066 0.000 2.072 151 E HA -0.088 4.451 4.350 0.315 0.000 0.191 151 E C 2.288 178.924 176.600 0.060 0.000 0.985 151 E CA 0.450 56.898 56.400 0.081 0.000 0.801 151 E CB 0.159 29.945 29.700 0.144 0.000 0.750 151 E HN 0.066 nan 8.360 nan 0.000 0.452 152 V N 1.114 120.997 119.914 -0.052 0.000 2.295 152 V HA -0.246 4.063 4.120 0.315 0.000 0.246 152 V C 2.007 178.121 176.094 0.033 0.000 1.049 152 V CA 1.743 64.016 62.300 -0.046 0.000 1.024 152 V CB -0.498 31.223 31.823 -0.170 0.000 0.648 152 V HN 0.239 nan 8.190 nan 0.000 0.447 153 F N 1.119 121.050 119.950 -0.031 0.000 2.095 153 F HA -0.250 4.468 4.527 0.319 0.000 0.298 153 F C 2.533 178.393 175.800 0.101 0.000 1.104 153 F CA 2.483 60.530 58.000 0.078 0.000 1.232 153 F CB -0.186 38.967 39.000 0.255 0.000 0.987 153 F HN 0.205 nan 8.300 nan 0.000 0.475 154 E N -0.119 120.176 120.200 0.159 0.000 2.152 154 E HA -0.248 4.291 4.350 0.315 0.000 0.192 154 E C 2.130 178.721 176.600 -0.015 0.000 0.983 154 E CA 0.964 57.388 56.400 0.040 0.000 0.818 154 E CB -0.090 29.663 29.700 0.089 0.000 0.758 154 E HN 0.172 nan 8.360 nan 0.000 0.467 155 K N 0.686 121.099 120.400 0.021 0.000 2.057 155 K HA -0.080 4.429 4.320 0.315 0.000 0.207 155 K C 1.915 178.517 176.600 0.003 0.000 1.049 155 K CA 1.260 57.561 56.287 0.023 0.000 0.931 155 K CB -0.232 32.301 32.500 0.055 0.000 0.714 155 K HN 0.180 nan 8.250 nan 0.000 0.440 156 L N -0.291 120.934 121.223 0.003 0.000 2.209 156 L HA 0.011 4.540 4.340 0.315 0.000 0.207 156 L C 1.835 178.690 176.870 -0.024 0.000 1.094 156 L CA 1.490 56.355 54.840 0.042 0.000 0.790 156 L CB -0.285 41.878 42.059 0.173 0.000 0.932 156 L HN 0.391 nan 8.230 nan 0.000 0.447 157 T N -5.465 108.997 114.554 -0.154 0.000 2.975 157 T HA 0.251 4.791 4.350 0.315 0.000 0.257 157 T C 1.447 176.035 174.700 -0.187 0.000 1.003 157 T CA 0.514 62.470 62.100 -0.241 0.000 0.932 157 T CB 0.957 69.499 68.868 -0.543 0.000 1.087 157 T HN 0.333 nan 8.240 nan 0.000 0.512 158 G N 1.647 110.364 108.800 -0.139 0.000 2.189 158 G HA2 -0.223 3.926 3.960 0.315 0.000 0.267 158 G HA3 -0.223 3.926 3.960 0.315 0.000 0.267 158 G C -0.034 174.835 174.900 -0.052 0.000 0.975 158 G CA 0.378 45.434 45.100 -0.073 0.000 0.644 158 G HN 0.675 nan 8.290 nan 0.000 0.537 159 I N 0.538 121.057 120.570 -0.084 0.000 2.377 159 I HA 0.345 4.705 4.170 0.315 0.000 0.293 159 I C 0.688 176.910 176.117 0.176 0.000 0.987 159 I CA -0.912 60.415 61.300 0.045 0.000 1.185 159 I CB 1.665 39.723 38.000 0.095 0.000 1.341 159 I HN 0.054 nan 8.210 nan 0.000 0.455 160 K N 3.961 124.439 120.400 0.129 0.000 2.489 160 K HA 0.208 4.717 4.320 0.315 0.000 0.278 160 K C 0.327 177.004 176.600 0.128 0.000 1.000 160 K CA -0.055 56.273 56.287 0.067 0.000 1.012 160 K CB 0.582 33.027 32.500 -0.093 0.000 0.903 160 K HN 0.840 nan 8.250 nan 0.000 0.485 161 G N 1.638 110.465 108.800 0.045 0.000 2.467 161 G HA2 0.415 4.564 3.960 0.315 0.000 0.257 161 G HA3 0.415 4.564 3.960 0.315 0.000 0.257 161 G C -0.103 174.610 174.900 -0.311 0.000 1.227 161 G CA -0.265 44.680 45.100 -0.258 0.000 0.835 161 G HN 0.715 nan 8.290 nan 0.000 0.556 162 A N 1.395 123.765 122.820 -0.750 0.000 2.631 162 A HA 0.484 4.993 4.320 0.315 0.000 0.294 162 A C 0.818 178.035 177.584 -0.611 0.000 1.156 162 A CA -0.423 51.303 52.037 -0.517 0.000 0.963 162 A CB -0.009 18.631 19.000 -0.599 0.000 1.202 162 A HN 0.499 nan 8.150 nan 0.000 0.523 163 F N 0.168 119.917 119.950 -0.335 0.000 2.661 163 F HA 0.085 4.802 4.527 0.316 0.000 0.298 163 F C 2.104 177.685 175.800 -0.364 0.000 1.137 163 F CA 0.702 58.447 58.000 -0.426 0.000 1.454 163 F CB -0.010 38.846 39.000 -0.239 0.000 1.103 163 F HN 0.223 nan 8.300 nan 0.000 0.577 164 R N 0.160 120.630 120.500 -0.050 0.000 2.334 164 R HA 0.082 4.611 4.340 0.315 0.000 0.220 164 R C 0.693 177.053 176.300 0.100 0.000 0.917 164 R CA 0.325 56.427 56.100 0.003 0.000 1.073 164 R CB -0.527 29.730 30.300 -0.071 0.000 1.056 164 R HN 0.238 nan 8.270 nan 0.000 0.506 165 T N -1.089 113.515 114.554 0.083 0.000 2.816 165 T HA 0.392 4.931 4.350 0.315 0.000 0.282 165 T C 0.406 175.185 174.700 0.132 0.000 0.993 165 T CA -0.667 61.495 62.100 0.103 0.000 0.994 165 T CB 1.755 70.761 68.868 0.230 0.000 1.025 165 T HN 0.039 nan 8.240 nan 0.000 0.529 166 R N -0.067 120.421 120.500 -0.021 0.000 2.902 166 R HA 0.765 5.294 4.340 0.315 0.000 0.258 166 R C -0.386 175.855 176.300 -0.097 0.000 1.071 166 R CA -1.074 55.032 56.100 0.012 0.000 1.024 166 R CB 1.434 31.795 30.300 0.101 0.000 1.184 166 R HN 0.821 nan 8.270 nan 0.000 0.492 167 I N -1.753 118.855 120.570 0.062 0.000 2.646 167 I HA 0.769 5.129 4.170 0.315 0.000 0.299 167 I C -0.672 175.654 176.117 0.348 0.000 1.036 167 I CA -1.094 60.297 61.300 0.151 0.000 1.074 167 I CB 2.275 40.252 38.000 -0.038 0.000 1.258 167 I HN 0.551 nan 8.210 nan 0.000 0.430 168 A N 4.752 127.825 122.820 0.423 0.000 2.306 168 A HA 0.931 5.440 4.320 0.315 0.000 0.330 168 A C -1.101 176.504 177.584 0.034 0.000 1.146 168 A CA -0.362 51.652 52.037 -0.038 0.000 0.827 168 A CB 0.782 19.609 19.000 -0.289 0.000 1.178 168 A HN 0.934 nan 8.150 nan 0.000 0.490 169 Y N -2.273 118.011 120.300 -0.027 0.000 2.741 169 Y HA 0.597 5.317 4.550 0.284 0.000 0.339 169 Y C -1.272 174.638 175.900 0.016 0.000 1.226 169 Y CA -1.449 56.669 58.100 0.029 0.000 1.072 169 Y CB 0.629 39.096 38.460 0.013 0.000 1.331 169 Y HN 0.420 nan 8.280 nan 0.000 0.453 170 V N 2.339 122.441 119.914 0.313 0.000 2.417 170 V HA 0.635 4.945 4.120 0.315 0.000 0.291 170 V C -0.667 175.587 176.094 0.268 0.000 1.024 170 V CA -0.825 61.616 62.300 0.235 0.000 0.861 170 V CB 1.530 33.558 31.823 0.341 0.000 0.985 170 V HN 0.677 nan 8.190 nan 0.000 0.436 171 V N 4.943 124.977 119.914 0.200 0.000 2.435 171 V HA 0.483 4.793 4.120 0.315 0.000 0.290 171 V C -0.179 175.973 176.094 0.097 0.000 1.030 171 V CA -0.528 61.859 62.300 0.145 0.000 0.881 171 V CB 1.591 33.488 31.823 0.124 0.000 0.983 171 V HN 0.929 nan 8.190 nan 0.000 0.445 172 Q N 3.023 122.850 119.800 0.045 0.000 2.327 172 Q HA 0.490 5.020 4.340 0.315 0.000 0.270 172 Q C -0.150 175.790 176.000 -0.101 0.000 1.022 172 Q CA -0.512 55.253 55.803 -0.064 0.000 0.773 172 Q CB 1.744 30.462 28.738 -0.033 0.000 1.251 172 Q HN 0.965 nan 8.270 nan 0.000 0.457 173 T N -0.396 114.077 114.554 -0.135 0.000 2.874 173 T HA 0.444 4.983 4.350 0.315 0.000 0.281 173 T C 0.426 175.047 174.700 -0.131 0.000 0.994 173 T CA -0.146 61.893 62.100 -0.102 0.000 1.015 173 T CB 0.779 69.604 68.868 -0.071 0.000 1.028 173 T HN 0.636 nan 8.240 nan 0.000 0.523 174 N N 0.100 118.747 118.700 -0.088 0.000 2.420 174 N HA 0.524 5.453 4.740 0.315 0.000 0.262 174 N C 1.071 176.533 175.510 -0.081 0.000 1.144 174 N CA -0.280 52.720 53.050 -0.083 0.000 0.952 174 N CB -0.649 nan 38.487 nan 0.000 1.081 174 N HN 1.595 nan 8.380 nan 0.000 0.480 175 G N 0.117 108.859 108.800 -0.096 0.000 2.749 175 G HA2 0.419 4.568 3.960 0.315 0.000 0.242 175 G HA3 0.419 4.568 3.960 0.315 0.000 0.242 175 G C 0.774 175.630 174.900 -0.073 0.000 1.364 175 G CA 0.463 45.515 45.100 -0.081 0.000 0.888 175 G HN 2.775 nan 8.290 nan 0.000 0.566 176 G N -2.584 106.183 108.800 -0.055 0.000 2.699 176 G HA2 0.204 4.354 3.960 0.315 0.000 0.686 176 G HA3 0.204 4.354 3.960 0.315 0.000 0.686 176 G C 0.373 175.225 174.900 -0.080 0.000 1.301 176 G CA 0.793 45.871 45.100 -0.036 0.000 0.816 176 G HN 1.419 nan 8.290 nan 0.000 0.595 177 Q N -0.800 118.945 119.800 -0.091 0.000 2.230 177 Q HA 0.199 4.728 4.340 0.315 0.000 0.202 177 Q C 0.557 176.163 176.000 -0.657 0.000 0.963 177 Q CA 1.348 56.945 55.803 -0.343 0.000 0.866 177 Q CB 0.177 28.690 28.738 -0.375 0.000 0.931 177 Q HN 0.464 nan 8.270 nan 0.000 0.452 178 F N -0.592 119.355 119.950 -0.005 0.000 2.531 178 F HA 0.319 5.034 4.527 0.312 0.000 0.333 178 F C -2.012 173.774 175.800 -0.023 0.000 1.292 178 F CA -2.159 55.847 58.000 0.010 0.000 1.184 178 F CB 1.432 40.424 39.000 -0.014 0.000 1.426 178 F HN -0.085 nan 8.300 nan 0.000 0.559 179 P HA -0.094 nan 4.420 nan 0.000 0.226 179 P C -0.688 176.446 177.300 -0.277 0.000 1.153 179 P CA 1.268 64.227 63.100 -0.234 0.000 0.777 179 P CB 0.029 31.413 31.700 -0.526 0.000 0.794 180 Y N -0.100 120.250 120.300 0.083 0.000 2.328 180 Y HA 0.444 5.180 4.550 0.310 0.000 0.337 180 Y C 0.549 176.479 175.900 0.051 0.000 0.966 180 Y CA -0.770 57.377 58.100 0.078 0.000 1.136 180 Y CB 1.403 39.921 38.460 0.097 0.000 1.170 180 Y HN -0.227 nan 8.280 nan 0.000 0.470 181 E N 3.093 123.383 120.200 0.150 0.000 2.246 181 E HA 0.336 4.875 4.350 0.315 0.000 0.266 181 E C -1.623 174.966 176.600 -0.018 0.000 0.880 181 E CA -1.127 55.295 56.400 0.038 0.000 0.762 181 E CB 2.602 32.303 29.700 0.002 0.000 1.180 181 E HN 0.442 nan 8.360 nan 0.000 0.416 182 L N 3.670 124.824 121.223 -0.116 0.000 2.305 182 L HA 0.412 4.941 4.340 0.315 0.000 0.281 182 L C -0.712 175.958 176.870 -0.334 0.000 1.085 182 L CA 0.333 55.023 54.840 -0.251 0.000 0.813 182 L CB 0.323 42.123 42.059 -0.433 0.000 1.157 182 L HN 0.496 nan 8.230 nan 0.000 0.436 183 R N 3.278 123.475 120.500 -0.506 0.000 2.836 183 R HA 0.802 5.331 4.340 0.315 0.000 0.269 183 R C -1.648 174.077 176.300 -0.958 0.000 1.010 183 R CA -1.093 54.605 56.100 -0.670 0.000 0.930 183 R CB 2.264 32.224 30.300 -0.567 0.000 1.218 183 R HN 0.421 nan 8.270 nan 0.000 0.473 184 V N 1.080 120.404 119.914 -0.984 0.000 2.735 184 V HA 0.561 4.870 4.120 0.315 0.000 0.310 184 V C -0.426 175.352 176.094 -0.526 0.000 1.061 184 V CA -0.457 61.375 62.300 -0.780 0.000 0.913 184 V CB 1.959 33.302 31.823 -0.800 0.000 1.005 184 V HN 1.028 nan 8.190 nan 0.000 0.428 185 S N 1.984 117.617 115.700 -0.112 0.000 2.720 185 S HA 0.631 5.291 4.470 0.315 0.000 0.287 185 S C -1.127 173.569 174.600 0.159 0.000 1.168 185 S CA -0.980 57.272 58.200 0.087 0.000 0.832 185 S CB 1.959 65.250 63.200 0.152 0.000 1.166 185 S HN 0.522 nan 8.310 nan 0.000 0.493 186 D N 0.599 121.104 120.400 0.174 0.000 2.363 186 D HA 0.174 5.003 4.640 0.315 0.000 0.240 186 D C 1.050 177.387 176.300 0.061 0.000 1.236 186 D CA -0.005 54.096 54.000 0.168 0.000 0.927 186 D CB 0.042 40.968 40.800 0.209 0.000 1.150 186 D HN 0.759 nan 8.370 nan 0.000 0.458 187 Y N 0.182 120.481 120.300 -0.003 0.000 2.352 187 Y HA -0.117 4.617 4.550 0.307 0.000 0.292 187 Y C 1.020 176.896 175.900 -0.040 0.000 1.136 187 Y CA 1.267 59.295 58.100 -0.120 0.000 1.227 187 Y CB -0.290 38.129 38.460 -0.069 0.000 0.991 187 Y HN 0.190 nan 8.280 nan 0.000 0.545 188 D N -0.851 118.962 120.400 -0.978 0.000 2.325 188 D HA 0.239 5.068 4.640 0.315 0.000 0.225 188 D C 1.765 177.933 176.300 -0.220 0.000 1.096 188 D CA 0.391 53.989 54.000 -0.668 0.000 0.844 188 D CB 0.074 40.504 40.800 -0.616 0.000 0.925 188 D HN 0.567 nan 8.370 nan 0.000 0.513 189 G N -0.697 108.006 108.800 -0.163 0.000 2.258 189 G HA2 -0.289 3.860 3.960 0.315 0.000 0.233 189 G HA3 -0.289 3.860 3.960 0.315 0.000 0.233 189 G C -0.024 174.789 174.900 -0.145 0.000 1.006 189 G CA -0.163 44.837 45.100 -0.166 0.000 0.620 189 G HN 0.345 nan 8.290 nan 0.000 0.511 190 Y N 1.058 121.334 120.300 -0.039 0.000 2.357 190 Y HA 0.424 5.163 4.550 0.315 0.000 0.340 190 Y C 1.528 177.449 175.900 0.035 0.000 1.260 190 Y CA 0.553 58.648 58.100 -0.009 0.000 1.425 190 Y CB 0.358 38.808 38.460 -0.017 0.000 1.326 190 Y HN 0.263 nan 8.280 nan 0.000 0.580 191 N N 0.718 119.525 118.700 0.178 0.000 2.758 191 N HA -0.254 4.675 4.740 0.315 0.000 0.248 191 N C -0.424 175.215 175.510 0.216 0.000 1.076 191 N CA 0.669 53.809 53.050 0.151 0.000 0.696 191 N CB -0.903 37.660 38.487 0.127 0.000 0.979 191 N HN 0.767 nan 8.380 nan 0.000 0.550 192 Q N 0.056 119.940 119.800 0.141 0.000 2.392 192 Q HA 0.367 4.896 4.340 0.315 0.000 0.262 192 Q C -0.245 175.873 176.000 0.197 0.000 1.003 192 Q CA 0.005 55.866 55.803 0.096 0.000 0.888 192 Q CB 0.420 29.190 28.738 0.054 0.000 1.260 192 Q HN 0.305 nan 8.270 nan 0.000 0.435 193 F N -0.311 119.626 119.950 -0.021 0.000 2.645 193 F HA 0.598 5.322 4.527 0.327 0.000 0.310 193 F C -1.592 174.168 175.800 -0.066 0.000 1.102 193 F CA -1.360 56.620 58.000 -0.033 0.000 0.952 193 F CB 0.698 39.688 39.000 -0.017 0.000 1.326 193 F HN 0.141 nan 8.300 nan 0.000 0.456 194 V N 2.775 122.744 119.914 0.091 0.000 2.406 194 V HA 0.191 4.500 4.120 0.315 0.000 0.272 194 V C 0.674 176.783 176.094 0.024 0.000 1.043 194 V CA -0.338 61.937 62.300 -0.042 0.000 0.915 194 V CB 0.996 32.804 31.823 -0.026 0.000 0.988 194 V HN 0.890 nan 8.190 nan 0.000 0.466 195 V N 3.674 123.519 119.914 -0.115 0.000 2.379 195 V HA 0.035 4.344 4.120 0.315 0.000 0.243 195 V C 0.548 176.662 176.094 0.034 0.000 1.035 195 V CA 1.300 63.580 62.300 -0.034 0.000 1.035 195 V CB -0.461 31.246 31.823 -0.194 0.000 0.673 195 V HN 0.993 nan 8.190 nan 0.000 0.457 196 H N -0.553 118.415 119.070 -0.170 0.000 3.085 196 H HA 0.584 5.327 4.556 0.313 0.000 0.356 196 H C -0.717 174.555 175.328 -0.093 0.000 1.178 196 H CA -0.798 55.177 56.048 -0.122 0.000 1.214 196 H CB 1.202 30.865 29.762 -0.165 0.000 1.881 196 H HN 0.111 nan 8.280 nan 0.000 0.538 197 R N 2.610 122.779 120.500 -0.552 0.000 2.711 197 R HA 0.673 5.202 4.340 0.315 0.000 0.284 197 R C -1.045 175.074 176.300 -0.300 0.000 0.968 197 R CA -1.089 54.824 56.100 -0.312 0.000 0.924 197 R CB 2.234 32.336 30.300 -0.330 0.000 1.162 197 R HN 0.520 nan 8.270 nan 0.000 0.465 198 S N 1.221 117.011 115.700 0.149 0.000 2.541 198 S HA 0.410 5.069 4.470 0.315 0.000 0.271 198 S C -2.432 172.417 174.600 0.415 0.000 1.133 198 S CA -1.502 56.880 58.200 0.303 0.000 0.876 198 S CB 1.877 65.223 63.200 0.243 0.000 1.105 198 S HN 0.312 nan 8.310 nan 0.000 0.470 199 P HA 0.182 nan 4.420 nan 0.000 0.231 199 P C -0.368 177.077 177.300 0.242 0.000 1.168 199 P CA 0.694 63.843 63.100 0.082 0.000 0.779 199 P CB 0.209 31.853 31.700 -0.093 0.000 0.844 200 Q N -1.102 118.788 119.800 0.150 0.000 2.458 200 Q HA 0.434 4.963 4.340 0.315 0.000 0.282 200 Q C -2.740 172.906 176.000 -0.590 0.000 1.106 200 Q CA -2.822 52.911 55.803 -0.118 0.000 0.814 200 Q CB 0.574 29.326 28.738 0.023 0.000 1.425 200 Q HN -0.128 nan 8.270 nan 0.000 0.437 201 P HA 0.063 nan 4.420 nan 0.000 0.267 201 P C -0.586 176.617 177.300 -0.162 0.000 1.201 201 P CA 0.424 62.971 63.100 -0.922 0.000 0.775 201 P CB 0.420 31.799 31.700 -0.535 0.000 0.854 202 L N 2.895 124.076 121.223 -0.071 0.000 2.346 202 L HA 0.561 5.090 4.340 0.315 0.000 0.274 202 L C 0.270 177.057 176.870 -0.138 0.000 1.007 202 L CA -0.531 54.329 54.840 0.033 0.000 0.818 202 L CB 1.366 43.453 42.059 0.047 0.000 1.284 202 L HN 0.263 nan 8.230 nan 0.000 0.424 203 M N 0.883 120.325 119.600 -0.264 0.000 2.591 203 M HA 0.381 5.050 4.480 0.315 0.000 0.306 203 M C 0.043 175.922 176.300 -0.701 0.000 1.190 203 M CA -0.697 54.060 55.300 -0.905 0.000 0.889 203 M CB 2.160 34.507 32.600 -0.422 0.000 1.728 203 M HN 0.527 nan 8.290 nan 0.000 0.458 204 S N 0.904 115.987 115.700 -1.029 0.000 3.697 204 S HA -0.070 4.589 4.470 0.315 0.000 0.388 204 S C -2.356 172.221 174.600 -0.038 0.000 0.941 204 S CA -0.173 57.895 58.200 -0.220 0.000 1.247 204 S CB -1.825 61.333 63.200 -0.070 0.000 0.904 204 S HN 0.525 nan 8.310 nan 0.000 0.518 205 P HA 0.458 nan 4.420 nan 0.000 0.268 205 P C -0.510 176.829 177.300 0.065 0.000 1.205 205 P CA -0.087 63.011 63.100 -0.003 0.000 0.771 205 P CB 0.824 32.451 31.700 -0.122 0.000 0.858 206 A N 3.141 126.013 122.820 0.087 0.000 2.398 206 A HA 0.531 5.040 4.320 0.315 0.000 0.301 206 A C -1.431 176.326 177.584 0.289 0.000 1.041 206 A CA -0.663 51.526 52.037 0.254 0.000 0.711 206 A CB 0.693 19.877 19.000 0.307 0.000 1.240 206 A HN 0.439 nan 8.150 nan 0.000 0.420 207 W N 2.211 123.670 121.300 0.264 0.000 2.315 207 W HA 0.462 5.285 4.660 0.271 0.000 0.316 207 W C 1.080 177.538 176.519 -0.101 0.000 1.211 207 W CA 0.363 57.771 57.345 0.104 0.000 1.201 207 W CB 1.453 30.960 29.460 0.079 0.000 1.184 207 W HN 0.813 nan 8.180 nan 0.000 0.544 208 S N 3.243 118.695 115.700 -0.413 0.000 2.572 208 S HA 0.156 4.815 4.470 0.315 0.000 0.279 208 S C -1.541 172.945 174.600 -0.189 0.000 1.341 208 S CA -1.006 56.665 58.200 -0.882 0.000 1.043 208 S CB 1.176 63.727 63.200 -1.082 0.000 0.887 208 S HN 0.350 nan 8.310 nan 0.000 0.516 209 P HA -0.087 nan 4.420 nan 0.000 0.221 209 P C 0.601 177.889 177.300 -0.019 0.000 1.145 209 P CA 1.274 64.357 63.100 -0.029 0.000 0.795 209 P CB -0.244 31.442 31.700 -0.022 0.000 0.775 210 D N -1.860 118.518 120.400 -0.037 0.000 2.339 210 D HA 0.102 4.931 4.640 0.315 0.000 0.217 210 D C 1.485 177.805 176.300 0.034 0.000 1.050 210 D CA 0.521 54.519 54.000 -0.003 0.000 0.856 210 D CB -0.902 39.891 40.800 -0.012 0.000 0.922 210 D HN 0.209 nan 8.370 nan 0.000 0.518 211 G N 0.234 109.076 108.800 0.069 0.000 2.179 211 G HA2 -0.368 3.781 3.960 0.315 0.000 0.260 211 G HA3 -0.368 3.781 3.960 0.315 0.000 0.260 211 G C 1.187 176.257 174.900 0.283 0.000 0.977 211 G CA 0.916 46.132 45.100 0.192 0.000 0.641 211 G HN 0.710 nan 8.290 nan 0.000 0.533 212 S N -0.942 114.836 115.700 0.129 0.000 2.501 212 S HA 0.359 5.019 4.470 0.315 0.000 0.220 212 S C 0.871 175.521 174.600 0.082 0.000 0.997 212 S CA 1.080 59.344 58.200 0.108 0.000 0.919 212 S CB 0.381 63.607 63.200 0.043 0.000 0.778 212 S HN 0.611 nan 8.310 nan 0.000 0.523 213 K N 0.347 120.758 120.400 0.017 0.000 2.385 213 K HA 0.629 5.138 4.320 0.315 0.000 0.248 213 K C -1.520 175.032 176.600 -0.080 0.000 0.955 213 K CA -0.688 55.581 56.287 -0.030 0.000 0.816 213 K CB 2.079 34.539 32.500 -0.066 0.000 1.250 213 K HN 0.088 nan 8.250 nan 0.000 0.434 214 L N 1.628 122.815 121.223 -0.059 0.000 2.341 214 L HA 0.516 5.045 4.340 0.315 0.000 0.278 214 L C -0.424 176.550 176.870 0.173 0.000 1.005 214 L CA -0.878 53.918 54.840 -0.073 0.000 0.818 214 L CB 1.949 43.856 42.059 -0.254 0.000 1.259 214 L HN 0.766 nan 8.230 nan 0.000 0.418 215 A N 3.351 126.341 122.820 0.284 0.000 2.327 215 A HA 0.744 5.253 4.320 0.315 0.000 0.283 215 A C -1.160 176.495 177.584 0.120 0.000 1.127 215 A CA -0.116 51.988 52.037 0.111 0.000 0.810 215 A CB 0.518 19.520 19.000 0.004 0.000 1.066 215 A HN 0.662 nan 8.150 nan 0.000 0.492 216 Y N -1.414 118.795 120.300 -0.152 0.000 2.725 216 Y HA 0.657 5.391 4.550 0.308 0.000 0.333 216 Y C -1.069 174.699 175.900 -0.221 0.000 1.242 216 Y CA -1.604 56.386 58.100 -0.183 0.000 1.059 216 Y CB 0.549 38.896 38.460 -0.189 0.000 1.306 216 Y HN 0.402 nan 8.280 nan 0.000 0.454 217 V N 1.457 121.338 119.914 -0.055 0.000 2.483 217 V HA 0.694 5.004 4.120 0.315 0.000 0.295 217 V C -0.300 175.765 176.094 -0.048 0.000 1.035 217 V CA -0.157 62.031 62.300 -0.186 0.000 0.896 217 V CB 1.376 33.089 31.823 -0.185 0.000 0.986 217 V HN 0.932 nan 8.190 nan 0.000 0.447 218 T N 3.370 117.822 114.554 -0.171 0.000 2.893 218 T HA 0.577 5.117 4.350 0.315 0.000 0.293 218 T C -0.426 174.181 174.700 -0.155 0.000 1.027 218 T CA -0.290 61.804 62.100 -0.011 0.000 0.988 218 T CB 0.944 69.876 68.868 0.108 0.000 1.043 218 T HN 0.327 nan 8.240 nan 0.000 0.461 219 F N 2.092 122.019 119.950 -0.038 0.000 2.639 219 F HA 0.246 4.957 4.527 0.306 0.000 0.300 219 F C 2.081 177.870 175.800 -0.019 0.000 1.109 219 F CA -0.462 57.515 58.000 -0.039 0.000 1.335 219 F CB 0.303 39.270 39.000 -0.056 0.000 1.014 219 F HN 0.777 nan 8.300 nan 0.000 0.537 220 E N -0.422 119.866 120.200 0.147 0.000 2.338 220 E HA -0.152 4.387 4.350 0.315 0.000 0.197 220 E C 1.749 178.402 176.600 0.089 0.000 1.007 220 E CA 1.321 57.800 56.400 0.133 0.000 0.849 220 E CB -0.353 29.453 29.700 0.177 0.000 0.774 220 E HN 0.369 nan 8.360 nan 0.000 0.506 221 S N -0.533 115.196 115.700 0.048 0.000 2.603 221 S HA 0.272 4.931 4.470 0.315 0.000 0.220 221 S C 1.587 176.207 174.600 0.034 0.000 0.967 221 S CA 0.326 58.539 58.200 0.021 0.000 0.920 221 S CB 0.274 63.457 63.200 -0.027 0.000 0.773 221 S HN 0.593 nan 8.310 nan 0.000 0.529 222 G N 1.650 110.493 108.800 0.072 0.000 2.284 222 G HA2 -0.212 3.937 3.960 0.315 0.000 0.216 222 G HA3 -0.212 3.937 3.960 0.315 0.000 0.216 222 G C 0.147 175.117 174.900 0.117 0.000 1.009 222 G CA -0.121 45.027 45.100 0.080 0.000 0.625 222 G HN 0.892 nan 8.290 nan 0.000 0.501 223 R N 0.047 120.592 120.500 0.075 0.000 2.846 223 R HA 0.724 5.253 4.340 0.315 0.000 0.263 223 R C 0.186 176.359 176.300 -0.211 0.000 1.080 223 R CA 0.071 56.212 56.100 0.067 0.000 0.961 223 R CB 0.485 30.795 30.300 0.016 0.000 1.231 223 R HN 0.819 nan 8.270 nan 0.000 0.465 224 S N -0.009 115.389 115.700 -0.502 0.000 2.562 224 S HA 0.550 5.209 4.470 0.315 0.000 0.281 224 S C -0.038 174.242 174.600 -0.534 0.000 1.333 224 S CA -0.246 57.388 58.200 -0.943 0.000 1.052 224 S CB 1.080 63.696 63.200 -0.973 0.000 0.884 224 S HN 0.804 nan 8.310 nan 0.000 0.506 225 A N 2.153 124.668 122.820 -0.508 0.000 2.475 225 A HA 0.721 5.230 4.320 0.315 0.000 0.301 225 A C -1.096 176.214 177.584 -0.456 0.000 1.059 225 A CA -0.869 50.919 52.037 -0.415 0.000 0.710 225 A CB 1.413 20.214 19.000 -0.330 0.000 1.288 225 A HN 1.046 nan 8.150 nan 0.000 0.408 226 L N 2.986 123.930 121.223 -0.466 0.000 2.287 226 L HA 0.772 5.301 4.340 0.315 0.000 0.287 226 L C -0.320 176.243 176.870 -0.511 0.000 1.022 226 L CA -0.334 54.208 54.840 -0.497 0.000 0.814 226 L CB 1.432 43.174 42.059 -0.528 0.000 1.217 226 L HN 1.027 nan 8.230 nan 0.000 0.420 227 V N 2.762 122.323 119.914 -0.588 0.000 3.141 227 V HA 0.684 4.993 4.120 0.315 0.000 0.312 227 V C -0.571 175.223 176.094 -0.501 0.000 1.157 227 V CA -0.798 61.169 62.300 -0.555 0.000 1.041 227 V CB 2.118 33.552 31.823 -0.648 0.000 1.071 227 V HN 0.651 nan 8.190 nan 0.000 0.441 228 I N 1.792 122.178 120.570 -0.306 0.000 2.447 228 I HA 0.491 4.850 4.170 0.315 0.000 0.287 228 I C -0.475 175.596 176.117 -0.075 0.000 1.023 228 I CA -0.241 60.990 61.300 -0.115 0.000 1.083 228 I CB 1.801 39.822 38.000 0.034 0.000 1.245 228 I HN 0.822 nan 8.210 nan 0.000 0.434 229 Q N 4.605 124.409 119.800 0.006 0.000 2.307 229 Q HA 0.388 4.918 4.340 0.315 0.000 0.262 229 Q C -0.859 175.175 176.000 0.056 0.000 0.961 229 Q CA -0.606 55.228 55.803 0.052 0.000 0.882 229 Q CB 1.522 30.360 28.738 0.167 0.000 1.264 229 Q HN 0.583 nan 8.270 nan 0.000 0.446 230 T N 5.391 119.969 114.554 0.040 0.000 2.799 230 T HA 0.109 4.648 4.350 0.315 0.000 0.296 230 T C 1.409 176.145 174.700 0.060 0.000 0.947 230 T CA -0.053 62.073 62.100 0.042 0.000 1.141 230 T CB 0.393 69.278 68.868 0.029 0.000 0.891 230 T HN 0.624 nan 8.240 nan 0.000 0.533 231 L N 2.417 123.689 121.223 0.081 0.000 2.056 231 L HA -0.059 4.471 4.340 0.315 0.000 0.207 231 L C 2.861 179.778 176.870 0.077 0.000 1.078 231 L CA 1.141 56.056 54.840 0.124 0.000 0.749 231 L CB -0.693 41.489 42.059 0.205 0.000 0.901 231 L HN 0.770 nan 8.230 nan 0.000 0.433 232 A N 1.198 124.047 122.820 0.048 0.000 2.019 232 A HA -0.186 4.323 4.320 0.315 0.000 0.219 232 A C 1.668 179.254 177.584 0.002 0.000 1.164 232 A CA 2.067 54.110 52.037 0.010 0.000 0.644 232 A CB -0.432 18.575 19.000 0.012 0.000 0.805 232 A HN 0.690 nan 8.150 nan 0.000 0.449 233 N N -3.397 115.313 118.700 0.017 0.000 2.118 233 N HA 0.236 5.165 4.740 0.315 0.000 0.226 233 N C 0.856 176.380 175.510 0.023 0.000 1.305 233 N CA 0.895 53.953 53.050 0.012 0.000 0.890 233 N CB -0.390 38.102 38.487 0.008 0.000 1.118 233 N HN 0.714 nan 8.380 nan 0.000 0.511 234 G N 0.034 108.857 108.800 0.040 0.000 2.166 234 G HA2 -0.236 3.913 3.960 0.315 0.000 0.260 234 G HA3 -0.236 3.913 3.960 0.315 0.000 0.260 234 G C 0.386 175.309 174.900 0.039 0.000 0.986 234 G CA 0.335 45.467 45.100 0.053 0.000 0.683 234 G HN 0.888 nan 8.290 nan 0.000 0.527 235 A N -0.523 122.311 122.820 0.024 0.000 2.511 235 A HA 0.566 5.075 4.320 0.315 0.000 0.242 235 A C 0.504 178.086 177.584 -0.004 0.000 1.069 235 A CA 0.632 52.673 52.037 0.007 0.000 0.763 235 A CB 0.769 19.770 19.000 0.002 0.000 1.001 235 A HN 1.175 nan 8.150 nan 0.000 0.498 236 V N 4.104 124.002 119.914 -0.027 0.000 2.417 236 V HA 0.428 4.737 4.120 0.315 0.000 0.291 236 V C 0.474 176.515 176.094 -0.089 0.000 1.024 236 V CA -0.588 61.670 62.300 -0.070 0.000 0.861 236 V CB 1.340 33.105 31.823 -0.098 0.000 0.985 236 V HN 0.939 nan 8.190 nan 0.000 0.436 237 R N 3.926 124.362 120.500 -0.107 0.000 2.255 237 R HA 0.352 4.881 4.340 0.315 0.000 0.326 237 R C -0.523 175.668 176.300 -0.181 0.000 0.986 237 R CA -0.693 55.339 56.100 -0.114 0.000 0.847 237 R CB 0.908 31.161 30.300 -0.078 0.000 1.111 237 R HN 0.644 nan 8.270 nan 0.000 0.452 238 Q N 3.180 122.869 119.800 -0.185 0.000 2.286 238 Q HA 0.054 4.583 4.340 0.315 0.000 0.267 238 Q C 0.552 176.395 176.000 -0.262 0.000 1.028 238 Q CA 0.046 55.705 55.803 -0.241 0.000 0.901 238 Q CB 1.780 30.390 28.738 -0.215 0.000 1.183 238 Q HN 0.535 nan 8.270 nan 0.000 0.392 239 V N 0.984 120.692 119.914 -0.343 0.000 2.690 239 V HA 0.298 4.607 4.120 0.315 0.000 0.240 239 V C 0.283 176.119 176.094 -0.429 0.000 1.078 239 V CA 1.133 63.204 62.300 -0.383 0.000 1.102 239 V CB 0.457 31.965 31.823 -0.524 0.000 0.800 239 V HN 0.775 nan 8.190 nan 0.000 0.479 240 A N -0.892 121.633 122.820 -0.492 0.000 2.480 240 A HA 0.681 5.191 4.320 0.315 0.000 0.289 240 A C -0.463 176.812 177.584 -0.515 0.000 1.044 240 A CA 0.024 51.746 52.037 -0.525 0.000 0.761 240 A CB 1.750 20.540 19.000 -0.350 0.000 1.289 240 A HN 0.005 nan 8.150 nan 0.000 0.401 241 S N 2.383 117.701 115.700 -0.638 0.000 2.300 241 S HA 0.529 5.188 4.470 0.315 0.000 0.172 241 S C -0.638 173.689 174.600 -0.455 0.000 1.484 241 S CA -0.334 57.595 58.200 -0.452 0.000 1.265 241 S CB -0.679 62.311 63.200 -0.350 0.000 1.313 241 S HN 0.482 nan 8.310 nan 0.000 0.387 242 F N 2.260 122.110 119.950 -0.166 0.000 2.435 242 F HA 0.394 5.108 4.527 0.313 0.000 0.316 242 F C -1.422 174.320 175.800 -0.096 0.000 1.220 242 F CA -1.743 56.183 58.000 -0.123 0.000 1.241 242 F CB -0.184 38.736 39.000 -0.133 0.000 1.234 242 F HN 0.238 nan 8.300 nan 0.000 0.569 243 P HA 0.044 nan 4.420 nan 0.000 0.271 243 P C -0.188 177.157 177.300 0.076 0.000 1.233 243 P CA 0.247 63.391 63.100 0.073 0.000 0.795 243 P CB 0.384 32.124 31.700 0.067 0.000 0.936 244 R N -1.985 118.555 120.500 0.067 0.000 3.910 244 R HA -0.270 4.259 4.340 0.315 0.000 0.415 244 R C 0.404 176.773 176.300 0.115 0.000 0.241 244 R CA 1.171 57.328 56.100 0.096 0.000 1.327 244 R CB -1.908 28.450 30.300 0.097 0.000 1.012 244 R HN 0.686 nan 8.270 nan 0.000 0.557 245 H N 2.131 121.220 119.070 0.032 0.000 2.458 245 H HA 0.429 5.170 4.556 0.308 0.000 0.330 245 H C -0.874 174.451 175.328 -0.005 0.000 1.111 245 H CA -0.473 55.580 56.048 0.007 0.000 1.245 245 H CB 0.849 30.643 29.762 0.054 0.000 1.456 245 H HN 0.319 nan 8.280 nan 0.000 0.488 246 N N 3.738 122.058 118.700 -0.633 0.000 2.531 246 N HA 0.427 5.356 4.740 0.315 0.000 0.268 246 N C -0.725 174.363 175.510 -0.703 0.000 1.023 246 N CA -0.298 52.470 53.050 -0.471 0.000 0.896 246 N CB 2.113 40.395 38.487 -0.342 0.000 1.233 246 N HN 0.802 nan 8.380 nan 0.000 0.512 247 G N 0.039 108.579 108.800 -0.432 0.000 2.664 247 G HA2 0.555 4.704 3.960 0.315 0.000 0.303 247 G HA3 0.555 4.704 3.960 0.315 0.000 0.303 247 G C -0.903 174.027 174.900 0.050 0.000 1.243 247 G CA 0.046 45.013 45.100 -0.221 0.000 0.826 247 G HN 0.545 nan 8.290 nan 0.000 0.498 248 A N -0.011 122.876 122.820 0.111 0.000 2.610 248 A HA -0.024 4.485 4.320 0.315 0.000 0.299 248 A C -1.784 175.873 177.584 0.122 0.000 1.487 248 A CA 1.030 53.148 52.037 0.136 0.000 0.743 248 A CB -1.921 17.177 19.000 0.164 0.000 1.070 248 A HN 0.685 nan 8.150 nan 0.000 0.439 249 P HA 0.558 nan 4.420 nan 0.000 0.276 249 P C -0.265 177.104 177.300 0.116 0.000 1.244 249 P CA 0.506 63.650 63.100 0.073 0.000 0.801 249 P CB 1.536 33.199 31.700 -0.061 0.000 1.006 250 A N 1.991 124.897 122.820 0.144 0.000 2.491 250 A HA 0.572 5.081 4.320 0.315 0.000 0.293 250 A C -1.166 176.679 177.584 0.435 0.000 1.047 250 A CA -0.523 51.702 52.037 0.313 0.000 0.735 250 A CB 0.457 19.639 19.000 0.303 0.000 1.281 250 A HN 0.294 nan 8.150 nan 0.000 0.398 251 F N 2.161 122.331 119.950 0.367 0.000 2.412 251 F HA 0.408 5.116 4.527 0.301 0.000 0.348 251 F C 1.575 177.310 175.800 -0.108 0.000 1.102 251 F CA 0.675 58.794 58.000 0.200 0.000 1.196 251 F CB 1.522 40.592 39.000 0.116 0.000 1.144 251 F HN 0.642 nan 8.300 nan 0.000 0.541 252 S N 3.915 119.328 115.700 -0.478 0.000 2.562 252 S HA 0.150 4.809 4.470 0.315 0.000 0.281 252 S C -1.857 172.468 174.600 -0.458 0.000 1.333 252 S CA -1.114 56.307 58.200 -1.298 0.000 1.052 252 S CB 1.053 63.357 63.200 -1.493 0.000 0.884 252 S HN 0.401 nan 8.310 nan 0.000 0.506 253 P HA -0.080 nan 4.420 nan 0.000 0.220 253 P C 0.600 177.837 177.300 -0.105 0.000 1.148 253 P CA 1.209 64.237 63.100 -0.120 0.000 0.803 253 P CB -0.248 31.425 31.700 -0.045 0.000 0.782 254 D N -1.664 118.644 120.400 -0.152 0.000 2.349 254 D HA 0.093 4.922 4.640 0.315 0.000 0.224 254 D C 1.457 177.717 176.300 -0.067 0.000 1.029 254 D CA 0.531 54.479 54.000 -0.087 0.000 0.879 254 D CB -1.029 39.722 40.800 -0.082 0.000 0.906 254 D HN 0.231 nan 8.370 nan 0.000 0.528 255 G N 0.089 108.848 108.800 -0.068 0.000 2.179 255 G HA2 -0.366 3.784 3.960 0.315 0.000 0.260 255 G HA3 -0.366 3.784 3.960 0.315 0.000 0.260 255 G C 1.160 176.072 174.900 0.019 0.000 0.977 255 G CA 0.839 45.934 45.100 -0.009 0.000 0.641 255 G HN 0.700 nan 8.290 nan 0.000 0.533 256 S N -1.205 114.477 115.700 -0.031 0.000 2.486 256 S HA 0.464 5.123 4.470 0.315 0.000 0.220 256 S C 0.788 175.404 174.600 0.026 0.000 1.011 256 S CA 1.207 59.404 58.200 -0.005 0.000 0.921 256 S CB 0.570 63.752 63.200 -0.030 0.000 0.785 256 S HN 0.581 nan 8.310 nan 0.000 0.517 257 K N -0.161 120.241 120.400 0.002 0.000 2.512 257 K HA 0.622 5.131 4.320 0.315 0.000 0.263 257 K C -2.177 174.492 176.600 0.116 0.000 0.966 257 K CA -0.771 55.555 56.287 0.065 0.000 0.851 257 K CB 2.100 34.635 32.500 0.059 0.000 1.395 257 K HN 0.114 nan 8.250 nan 0.000 0.440 258 L N 1.667 122.993 121.223 0.171 0.000 2.349 258 L HA 0.637 5.166 4.340 0.315 0.000 0.278 258 L C -1.030 176.071 176.870 0.386 0.000 0.996 258 L CA -0.169 54.752 54.840 0.135 0.000 0.825 258 L CB 1.472 43.469 42.059 -0.103 0.000 1.243 258 L HN 0.800 nan 8.230 nan 0.000 0.412 259 A N 4.513 127.599 122.820 0.444 0.000 2.302 259 A HA 0.860 5.369 4.320 0.315 0.000 0.285 259 A C -0.814 176.859 177.584 0.149 0.000 1.105 259 A CA -0.152 51.946 52.037 0.101 0.000 0.816 259 A CB 0.305 19.160 19.000 -0.242 0.000 1.067 259 A HN 0.825 nan 8.150 nan 0.000 0.489 260 F N -2.308 117.624 119.950 -0.029 0.000 2.926 260 F HA 0.735 5.447 4.527 0.309 0.000 0.321 260 F C -0.435 175.377 175.800 0.020 0.000 1.168 260 F CA -0.769 57.215 58.000 -0.027 0.000 0.890 260 F CB 0.983 39.946 39.000 -0.061 0.000 1.357 260 F HN 0.840 nan 8.300 nan 0.000 0.468 261 A N 1.354 124.317 122.820 0.239 0.000 2.355 261 A HA 0.904 5.413 4.320 0.315 0.000 0.317 261 A C -1.644 176.084 177.584 0.240 0.000 1.094 261 A CA -0.826 51.322 52.037 0.185 0.000 0.764 261 A CB 1.381 20.473 19.000 0.152 0.000 1.230 261 A HN 0.791 nan 8.150 nan 0.000 0.448 262 L N 1.532 122.893 121.223 0.229 0.000 2.401 262 L HA 0.549 5.078 4.340 0.315 0.000 0.266 262 L C 0.766 177.727 176.870 0.152 0.000 0.991 262 L CA -0.547 54.355 54.840 0.104 0.000 0.818 262 L CB 2.598 44.525 42.059 -0.220 0.000 1.321 262 L HN 0.797 nan 8.230 nan 0.000 0.413 263 S N -1.066 114.709 115.700 0.124 0.000 2.602 263 S HA 0.044 4.704 4.470 0.315 0.000 0.240 263 S C 1.137 175.779 174.600 0.069 0.000 0.992 263 S CA -0.539 57.728 58.200 0.111 0.000 0.971 263 S CB -0.116 63.162 63.200 0.130 0.000 0.855 263 S HN 0.762 nan 8.310 nan 0.000 0.481 264 K N 1.867 122.284 120.400 0.028 0.000 2.113 264 K HA -0.171 4.338 4.320 0.315 0.000 0.208 264 K C 1.824 178.427 176.600 0.006 0.000 1.047 264 K CA 2.016 58.306 56.287 0.004 0.000 0.928 264 K CB -1.567 30.893 32.500 -0.066 0.000 0.716 264 K HN 0.492 nan 8.250 nan 0.000 0.446 265 T N -3.156 111.408 114.554 0.017 0.000 3.098 265 T HA 0.143 4.682 4.350 0.315 0.000 0.266 265 T C 1.493 176.202 174.700 0.016 0.000 1.145 265 T CA 0.710 62.819 62.100 0.016 0.000 1.092 265 T CB -0.057 68.826 68.868 0.025 0.000 0.908 265 T HN 0.598 nan 8.240 nan 0.000 0.526 266 G N 0.361 109.176 108.800 0.026 0.000 2.211 266 G HA2 -0.053 4.096 3.960 0.315 0.000 0.201 266 G HA3 -0.053 4.096 3.960 0.315 0.000 0.201 266 G C 0.168 175.083 174.900 0.024 0.000 0.997 266 G CA 0.100 45.214 45.100 0.023 0.000 0.652 266 G HN 1.546 nan 8.290 nan 0.000 0.500 267 S N -0.875 114.843 115.700 0.030 0.000 2.588 267 S HA 0.722 5.382 4.470 0.315 0.000 0.269 267 S C -0.527 174.102 174.600 0.048 0.000 1.157 267 S CA -0.941 57.277 58.200 0.030 0.000 0.824 267 S CB 1.642 64.848 63.200 0.009 0.000 1.126 267 S HN 0.819 nan 8.310 nan 0.000 0.464 268 L N 2.397 123.654 121.223 0.057 0.000 2.455 268 L HA 0.391 4.920 4.340 0.315 0.000 0.272 268 L C 0.289 177.182 176.870 0.039 0.000 1.174 268 L CA 0.105 54.994 54.840 0.081 0.000 0.869 268 L CB -0.004 42.108 42.059 0.088 0.000 1.130 268 L HN 0.616 nan 8.230 nan 0.000 0.474 269 N N 2.786 121.519 118.700 0.055 0.000 2.357 269 N HA 0.517 5.446 4.740 0.315 0.000 0.284 269 N C -1.049 174.369 175.510 -0.154 0.000 1.236 269 N CA -0.654 52.340 53.050 -0.093 0.000 0.774 269 N CB 2.376 40.776 38.487 -0.144 0.000 1.534 269 N HN 0.332 nan 8.380 nan 0.000 0.478 270 L N 1.956 122.939 121.223 -0.399 0.000 2.349 270 L HA 0.389 4.918 4.340 0.315 0.000 0.275 270 L C -0.801 175.681 176.870 -0.647 0.000 1.115 270 L CA -0.219 54.348 54.840 -0.454 0.000 0.820 270 L CB 0.079 41.777 42.059 -0.602 0.000 1.135 270 L HN 0.420 nan 8.230 nan 0.000 0.445 271 Y N 1.279 121.218 120.300 -0.602 0.000 2.576 271 Y HA 0.653 5.391 4.550 0.312 0.000 0.346 271 Y C -0.044 175.364 175.900 -0.819 0.000 1.018 271 Y CA -1.131 56.559 58.100 -0.683 0.000 1.050 271 Y CB 2.150 40.160 38.460 -0.749 0.000 1.280 271 Y HN 0.268 nan 8.280 nan 0.000 0.474 272 V N 0.000 119.727 119.914 -0.312 0.000 2.735 272 V HA 0.664 4.974 4.120 0.315 0.000 0.310 272 V C -0.782 175.357 176.094 0.075 0.000 1.061 272 V CA -1.101 61.132 62.300 -0.112 0.000 0.913 272 V CB 2.029 33.897 31.823 0.075 0.000 1.005 272 V HN 0.868 nan 8.190 nan 0.000 0.428 273 M N 2.818 122.575 119.600 0.263 0.000 2.294 273 M HA 0.524 5.193 4.480 0.315 0.000 0.335 273 M C -0.824 175.581 176.300 0.175 0.000 1.079 273 M CA -0.421 55.042 55.300 0.272 0.000 0.982 273 M CB 1.509 34.328 32.600 0.366 0.000 1.651 273 M HN 1.036 nan 8.290 nan 0.000 0.437 274 D N 3.687 124.162 120.400 0.125 0.000 2.339 274 D HA 0.150 4.979 4.640 0.315 0.000 0.256 274 D C 0.776 177.126 176.300 0.084 0.000 1.214 274 D CA 0.044 54.099 54.000 0.092 0.000 0.877 274 D CB 0.652 41.493 40.800 0.069 0.000 1.111 274 D HN 0.676 nan 8.370 nan 0.000 0.478 275 L N 3.680 124.955 121.223 0.086 0.000 2.093 275 L HA -0.096 4.434 4.340 0.315 0.000 0.208 275 L C 2.404 179.310 176.870 0.060 0.000 1.085 275 L CA 1.076 55.966 54.840 0.084 0.000 0.755 275 L CB -0.448 41.684 42.059 0.122 0.000 0.904 275 L HN 0.568 nan 8.230 nan 0.000 0.435 276 A N 0.305 123.155 122.820 0.051 0.000 1.865 276 A HA -0.230 4.280 4.320 0.315 0.000 0.217 276 A C 2.477 180.080 177.584 0.031 0.000 1.191 276 A CA 2.327 54.386 52.037 0.036 0.000 0.623 276 A CB -0.676 18.343 19.000 0.030 0.000 0.826 276 A HN 0.510 nan 8.150 nan 0.000 0.444 277 S N -2.582 113.139 115.700 0.035 0.000 2.503 277 S HA 0.382 5.041 4.470 0.315 0.000 0.217 277 S C 1.541 176.160 174.600 0.032 0.000 0.999 277 S CA 1.129 59.347 58.200 0.030 0.000 0.914 277 S CB -0.058 63.161 63.200 0.032 0.000 0.782 277 S HN 1.973 nan 8.310 nan 0.000 0.520 278 G N 1.047 109.871 108.800 0.040 0.000 2.184 278 G HA2 -0.344 3.805 3.960 0.315 0.000 0.264 278 G HA3 -0.344 3.805 3.960 0.315 0.000 0.264 278 G C -0.085 174.854 174.900 0.064 0.000 0.975 278 G CA 0.394 45.519 45.100 0.041 0.000 0.642 278 G HN 0.746 nan 8.290 nan 0.000 0.536 279 Q N 0.144 119.984 119.800 0.067 0.000 2.297 279 Q HA 0.519 5.048 4.340 0.315 0.000 0.267 279 Q C 0.208 176.274 176.000 0.111 0.000 1.006 279 Q CA -0.237 55.613 55.803 0.077 0.000 0.896 279 Q CB 0.224 28.998 28.738 0.059 0.000 1.186 279 Q HN 0.485 nan 8.270 nan 0.000 0.392 280 I N 4.489 125.138 120.570 0.132 0.000 2.336 280 I HA 0.393 4.752 4.170 0.315 0.000 0.292 280 I C 0.099 176.293 176.117 0.130 0.000 0.991 280 I CA -0.400 61.006 61.300 0.177 0.000 1.227 280 I CB 1.365 39.514 38.000 0.248 0.000 1.366 280 I HN 0.498 nan 8.210 nan 0.000 0.466 281 R N 4.706 125.268 120.500 0.103 0.000 2.599 281 R HA 0.337 4.866 4.340 0.315 0.000 0.295 281 R C -0.727 175.567 176.300 -0.009 0.000 0.963 281 R CA -0.811 55.316 56.100 0.045 0.000 0.883 281 R CB 2.135 32.438 30.300 0.004 0.000 1.171 281 R HN 0.584 nan 8.270 nan 0.000 0.450 282 Q N 1.989 121.730 119.800 -0.098 0.000 2.304 282 Q HA 0.125 4.655 4.340 0.315 0.000 0.260 282 Q C -0.027 175.717 176.000 -0.425 0.000 0.965 282 Q CA -0.117 55.384 55.803 -0.504 0.000 0.898 282 Q CB 1.344 29.800 28.738 -0.469 0.000 1.196 282 Q HN 0.480 nan 8.270 nan 0.000 0.402 283 V N 2.009 121.596 119.914 -0.545 0.000 3.048 283 V HA 0.055 4.364 4.120 0.315 0.000 0.241 283 V C 0.628 176.496 176.094 -0.375 0.000 1.129 283 V CA 1.165 63.234 62.300 -0.385 0.000 1.128 283 V CB 1.024 32.618 31.823 -0.382 0.000 0.849 283 V HN 0.944 nan 8.190 nan 0.000 0.475 284 T N -0.913 113.363 114.554 -0.463 0.000 2.912 284 T HA 0.579 5.118 4.350 0.315 0.000 0.288 284 T C -0.559 173.950 174.700 -0.319 0.000 1.030 284 T CA -0.203 61.688 62.100 -0.348 0.000 1.020 284 T CB 2.027 70.673 68.868 -0.369 0.000 1.056 284 T HN 0.335 nan 8.240 nan 0.000 0.480 285 D N -0.383 119.894 120.400 -0.205 0.000 2.760 285 D HA 0.247 5.076 4.640 0.315 0.000 0.314 285 D C 0.734 176.971 176.300 -0.105 0.000 1.464 285 D CA -0.505 53.397 54.000 -0.164 0.000 0.797 285 D CB -0.256 40.458 40.800 -0.142 0.000 1.149 285 D HN 0.826 nan 8.370 nan 0.000 0.455 286 G N 0.088 108.828 108.800 -0.099 0.000 2.599 286 G HA2 0.244 4.393 3.960 0.315 0.000 0.264 286 G HA3 0.244 4.393 3.960 0.315 0.000 0.264 286 G C 0.617 175.485 174.900 -0.053 0.000 1.200 286 G CA -0.804 44.255 45.100 -0.068 0.000 0.896 286 G HN 0.083 nan 8.290 nan 0.000 0.536 287 R N -0.580 119.896 120.500 -0.040 0.000 2.275 287 R HA 0.072 4.602 4.340 0.315 0.000 0.199 287 R C 1.497 177.781 176.300 -0.027 0.000 0.989 287 R CA 0.462 56.546 56.100 -0.028 0.000 1.016 287 R CB 0.062 30.349 30.300 -0.022 0.000 0.918 287 R HN 0.584 nan 8.270 nan 0.000 0.473 288 S N 0.343 116.020 115.700 -0.038 0.000 2.641 288 S HA 0.189 4.848 4.470 0.315 0.000 0.261 288 S C 0.072 174.656 174.600 -0.027 0.000 1.257 288 S CA -0.860 57.316 58.200 -0.040 0.000 0.983 288 S CB 0.836 63.993 63.200 -0.071 0.000 0.990 288 S HN 0.044 nan 8.310 nan 0.000 0.572 289 N N 2.079 120.768 118.700 -0.018 0.000 2.438 289 N HA 0.327 5.256 4.740 0.315 0.000 0.282 289 N C -1.199 174.326 175.510 0.025 0.000 1.037 289 N CA -0.330 52.724 53.050 0.006 0.000 0.942 289 N CB 0.616 39.111 38.487 0.012 0.000 1.136 289 N HN 0.556 nan 8.380 nan 0.000 0.481 290 N N 0.960 119.690 118.700 0.050 0.000 2.504 290 N HA 0.300 5.229 4.740 0.315 0.000 0.280 290 N C -0.651 174.911 175.510 0.087 0.000 1.052 290 N CA -0.203 52.925 53.050 0.131 0.000 0.887 290 N CB 2.408 40.913 38.487 0.031 0.000 1.323 290 N HN 0.469 nan 8.380 nan 0.000 0.509 291 T N -0.380 114.280 114.554 0.177 0.000 2.645 291 T HA 0.228 4.768 4.350 0.315 0.000 0.300 291 T C -1.227 173.565 174.700 0.154 0.000 1.210 291 T CA -0.242 61.931 62.100 0.121 0.000 1.034 291 T CB 0.497 69.436 68.868 0.119 0.000 1.537 291 T HN 0.572 nan 8.240 nan 0.000 0.492 292 E N 1.107 121.383 120.200 0.126 0.000 2.252 292 E HA -0.114 4.425 4.350 0.315 0.000 0.218 292 E C -2.497 174.168 176.600 0.108 0.000 1.253 292 E CA 0.244 56.718 56.400 0.124 0.000 0.705 292 E CB -0.994 28.780 29.700 0.124 0.000 1.172 292 E HN 0.402 nan 8.360 nan 0.000 0.369 293 P HA 0.032 nan 4.420 nan 0.000 0.275 293 P C -0.236 177.027 177.300 -0.063 0.000 1.228 293 P CA 0.156 63.226 63.100 -0.050 0.000 0.786 293 P CB 1.740 33.305 31.700 -0.225 0.000 0.927 294 T N 2.144 116.641 114.554 -0.095 0.000 2.933 294 T HA 0.461 5.000 4.350 0.315 0.000 0.305 294 T C -1.587 173.054 174.700 -0.099 0.000 1.092 294 T CA -0.554 61.513 62.100 -0.056 0.000 1.008 294 T CB 0.429 69.290 68.868 -0.012 0.000 1.102 294 T HN 0.229 nan 8.240 nan 0.000 0.469 295 W N 3.719 125.042 121.300 0.038 0.000 2.316 295 W HA 0.611 5.454 4.660 0.305 0.000 0.321 295 W C -0.091 176.430 176.519 0.004 0.000 1.203 295 W CA -0.828 56.570 57.345 0.089 0.000 1.214 295 W CB 0.534 30.057 29.460 0.104 0.000 1.169 295 W HN 0.517 nan 8.180 nan 0.000 0.561 296 F N 3.383 123.509 119.950 0.294 0.000 2.403 296 F HA 0.177 4.900 4.527 0.326 0.000 0.320 296 F C -0.868 175.045 175.800 0.188 0.000 1.176 296 F CA -2.000 56.108 58.000 0.180 0.000 1.206 296 F CB -0.078 39.003 39.000 0.135 0.000 1.235 296 F HN 0.225 nan 8.300 nan 0.000 0.565 297 P HA -0.181 nan 4.420 nan 0.000 0.220 297 P C 0.467 177.855 177.300 0.146 0.000 1.144 297 P CA 1.435 64.632 63.100 0.161 0.000 0.800 297 P CB -0.097 31.675 31.700 0.120 0.000 0.772 298 D N -2.561 117.956 120.400 0.194 0.000 2.340 298 D HA 0.019 4.848 4.640 0.315 0.000 0.220 298 D C 0.220 176.591 176.300 0.119 0.000 1.039 298 D CA -0.000 54.078 54.000 0.130 0.000 0.866 298 D CB -0.873 39.996 40.800 0.114 0.000 0.913 298 D HN -0.157 nan 8.370 nan 0.000 0.523 299 S N -0.632 115.159 115.700 0.152 0.000 3.533 299 S HA -0.205 4.454 4.470 0.315 0.000 0.347 299 S C 0.823 175.554 174.600 0.218 0.000 1.101 299 S CA 0.992 59.201 58.200 0.015 0.000 1.009 299 S CB -1.103 61.961 63.200 -0.227 0.000 0.916 299 S HN 0.481 nan 8.310 nan 0.000 0.496 300 Q N -0.783 119.234 119.800 0.362 0.000 2.279 300 Q HA 0.253 4.782 4.340 0.315 0.000 0.261 300 Q C 0.097 176.257 176.000 0.267 0.000 0.796 300 Q CA 0.181 56.159 55.803 0.291 0.000 0.971 300 Q CB 0.380 29.199 28.738 0.135 0.000 1.179 300 Q HN 0.555 nan 8.270 nan 0.000 0.505 301 N N 0.713 119.581 118.700 0.281 0.000 2.319 301 N HA 0.533 5.462 4.740 0.315 0.000 0.305 301 N C -0.841 174.865 175.510 0.327 0.000 1.103 301 N CA -0.247 52.887 53.050 0.140 0.000 0.815 301 N CB 2.144 40.503 38.487 -0.214 0.000 1.288 301 N HN -0.025 nan 8.380 nan 0.000 0.493 302 L N 0.981 122.311 121.223 0.178 0.000 2.354 302 L HA 0.721 5.250 4.340 0.315 0.000 0.269 302 L C 0.115 177.250 176.870 0.442 0.000 1.005 302 L CA -0.888 54.039 54.840 0.144 0.000 0.819 302 L CB 1.869 43.783 42.059 -0.241 0.000 1.311 302 L HN 0.471 nan 8.230 nan 0.000 0.423 303 A N 2.114 125.153 122.820 0.365 0.000 2.294 303 A HA 0.957 5.466 4.320 0.315 0.000 0.330 303 A C -0.975 176.796 177.584 0.313 0.000 1.133 303 A CA -0.287 51.946 52.037 0.326 0.000 0.836 303 A CB 1.095 20.162 19.000 0.113 0.000 1.190 303 A HN 0.641 nan 8.150 nan 0.000 0.492 304 F N -2.156 117.814 119.950 0.032 0.000 2.799 304 F HA 0.580 5.292 4.527 0.308 0.000 0.316 304 F C -0.715 175.107 175.800 0.036 0.000 1.155 304 F CA -0.744 57.256 58.000 0.001 0.000 0.916 304 F CB 0.713 39.687 39.000 -0.044 0.000 1.294 304 F HN 0.374 nan 8.300 nan 0.000 0.447 305 T N 1.932 116.569 114.554 0.138 0.000 2.749 305 T HA 0.522 5.061 4.350 0.315 0.000 0.295 305 T C -0.506 174.197 174.700 0.004 0.000 0.936 305 T CA -0.320 61.785 62.100 0.008 0.000 1.060 305 T CB 0.996 69.897 68.868 0.055 0.000 0.904 305 T HN 0.773 nan 8.240 nan 0.000 0.500 306 S N 1.490 117.076 115.700 -0.190 0.000 2.513 306 S HA 0.386 5.045 4.470 0.315 0.000 0.299 306 S C 0.126 174.630 174.600 -0.159 0.000 1.087 306 S CA -0.936 57.122 58.200 -0.237 0.000 1.012 306 S CB 0.969 63.754 63.200 -0.692 0.000 1.044 306 S HN 0.773 nan 8.310 nan 0.000 0.485 307 D N 2.446 122.783 120.400 -0.106 0.000 2.358 307 D HA -0.001 4.828 4.640 0.315 0.000 0.224 307 D C 1.383 177.633 176.300 -0.083 0.000 1.123 307 D CA -0.071 53.888 54.000 -0.069 0.000 0.833 307 D CB -0.191 40.588 40.800 -0.036 0.000 0.946 307 D HN 0.716 nan 8.370 nan 0.000 0.505 308 Q N 0.391 120.094 119.800 -0.163 0.000 2.226 308 Q HA -0.131 4.399 4.340 0.315 0.000 0.204 308 Q C 1.659 177.638 176.000 -0.036 0.000 0.975 308 Q CA 1.658 57.388 55.803 -0.123 0.000 0.866 308 Q CB -0.243 28.371 28.738 -0.206 0.000 0.915 308 Q HN 0.221 nan 8.270 nan 0.000 0.440 309 A N -0.215 122.611 122.820 0.009 0.000 2.251 309 A HA 0.517 5.026 4.320 0.315 0.000 0.209 309 A C 1.226 178.824 177.584 0.022 0.000 1.187 309 A CA 0.703 52.770 52.037 0.051 0.000 0.823 309 A CB -0.119 18.938 19.000 0.093 0.000 0.846 309 A HN 0.710 nan 8.150 nan 0.000 0.486 310 G N -0.548 108.253 108.800 0.003 0.000 2.145 310 G HA2 -0.104 4.045 3.960 0.315 0.000 0.203 310 G HA3 -0.104 4.045 3.960 0.315 0.000 0.203 310 G C -0.138 174.758 174.900 -0.007 0.000 1.096 310 G CA -0.422 44.678 45.100 0.001 0.000 1.282 310 G HN 0.462 nan 8.290 nan 0.000 0.474 311 R N 1.996 122.492 120.500 -0.006 0.000 2.643 311 R HA 0.407 4.936 4.340 0.315 0.000 0.270 311 R C -2.270 174.018 176.300 -0.020 0.000 1.061 311 R CA -0.878 55.214 56.100 -0.014 0.000 1.107 311 R CB 0.210 30.502 30.300 -0.013 0.000 0.999 311 R HN 0.215 nan 8.270 nan 0.000 0.460 312 P HA -0.061 nan 4.420 nan 0.000 0.266 312 P C -0.757 176.520 177.300 -0.038 0.000 1.195 312 P CA 0.543 63.627 63.100 -0.026 0.000 0.768 312 P CB 0.720 32.406 31.700 -0.023 0.000 0.838 313 Q N 0.486 120.273 119.800 -0.023 0.000 2.553 313 Q HA 0.467 4.996 4.340 0.315 0.000 0.293 313 Q C -1.070 174.893 176.000 -0.063 0.000 1.038 313 Q CA -0.959 54.792 55.803 -0.087 0.000 0.777 313 Q CB 1.765 30.390 28.738 -0.190 0.000 1.487 313 Q HN 0.068 nan 8.270 nan 0.000 0.426 314 V N 1.356 121.156 119.914 -0.189 0.000 2.481 314 V HA 0.438 4.747 4.120 0.315 0.000 0.286 314 V C -0.915 174.966 176.094 -0.356 0.000 1.042 314 V CA -0.317 61.867 62.300 -0.194 0.000 0.928 314 V CB 0.463 32.197 31.823 -0.148 0.000 0.986 314 V HN 0.569 nan 8.190 nan 0.000 0.462 315 Y N 2.294 122.243 120.300 -0.585 0.000 2.662 315 Y HA 0.691 5.428 4.550 0.312 0.000 0.335 315 Y C 0.066 175.747 175.900 -0.364 0.000 1.066 315 Y CA -1.299 56.453 58.100 -0.579 0.000 1.116 315 Y CB 1.923 39.827 38.460 -0.927 0.000 1.308 315 Y HN 0.518 nan 8.280 nan 0.000 0.502 316 K N 0.989 121.428 120.400 0.065 0.000 2.482 316 K HA 0.771 5.281 4.320 0.315 0.000 0.251 316 K C -2.383 174.377 176.600 0.266 0.000 0.936 316 K CA -0.653 55.764 56.287 0.216 0.000 0.791 316 K CB 2.313 34.878 32.500 0.109 0.000 1.213 316 K HN 0.521 nan 8.250 nan 0.000 0.428 317 V N 3.191 123.272 119.914 0.278 0.000 2.932 317 V HA 0.356 4.666 4.120 0.315 0.000 0.307 317 V C -1.391 174.723 176.094 0.033 0.000 1.147 317 V CA -0.931 61.463 62.300 0.157 0.000 0.951 317 V CB 2.193 34.117 31.823 0.169 0.000 1.031 317 V HN 0.969 nan 8.190 nan 0.000 0.426 318 N N 3.360 122.059 118.700 -0.002 0.000 2.499 318 N HA 0.338 5.267 4.740 0.315 0.000 0.281 318 N C 1.218 176.714 175.510 -0.022 0.000 1.098 318 N CA -0.199 52.843 53.050 -0.014 0.000 0.979 318 N CB 1.193 39.669 38.487 -0.018 0.000 1.121 318 N HN 0.710 nan 8.380 nan 0.000 0.466 319 I N 0.182 120.751 120.570 -0.002 0.000 3.176 319 I HA 0.003 4.362 4.170 0.315 0.000 0.275 319 I C 0.469 176.572 176.117 -0.022 0.000 1.298 319 I CA 0.586 61.868 61.300 -0.029 0.000 1.445 319 I CB -0.203 37.817 38.000 0.033 0.000 1.075 319 I HN 0.461 nan 8.210 nan 0.000 0.482 320 N N 1.625 120.323 118.700 -0.004 0.000 2.405 320 N HA 0.230 5.159 4.740 0.315 0.000 0.175 320 N C 0.797 176.295 175.510 -0.020 0.000 1.051 320 N CA 0.974 54.020 53.050 -0.006 0.000 0.899 320 N CB 0.996 39.488 38.487 0.008 0.000 1.000 320 N HN 0.580 nan 8.380 nan 0.000 0.451 321 G N -1.344 107.441 108.800 -0.024 0.000 2.361 321 G HA2 0.453 4.602 3.960 0.315 0.000 0.299 321 G HA3 0.453 4.602 3.960 0.315 0.000 0.299 321 G C -0.790 174.099 174.900 -0.019 0.000 1.544 321 G CA -0.061 45.023 45.100 -0.027 0.000 0.860 321 G HN 0.370 nan 8.290 nan 0.000 0.610 322 G N -1.338 107.452 108.800 -0.016 0.000 2.515 322 G HA2 0.548 4.697 3.960 0.315 0.000 0.686 322 G HA3 0.548 4.697 3.960 0.315 0.000 0.686 322 G C 0.038 174.943 174.900 0.009 0.000 1.274 322 G CA 0.433 45.532 45.100 -0.002 0.000 0.874 322 G HN 2.378 nan 8.290 nan 0.000 0.631 323 A N 1.290 124.126 122.820 0.027 0.000 2.363 323 A HA 0.792 5.301 4.320 0.315 0.000 0.270 323 A C -1.444 176.198 177.584 0.097 0.000 1.121 323 A CA -0.825 51.241 52.037 0.049 0.000 0.800 323 A CB -0.030 19.000 19.000 0.049 0.000 1.052 323 A HN 0.661 nan 8.150 nan 0.000 0.493 324 P HA 0.113 nan 4.420 nan 0.000 0.267 324 P C -0.525 176.940 177.300 0.274 0.000 1.200 324 P CA 0.152 63.413 63.100 0.267 0.000 0.772 324 P CB 0.403 32.338 31.700 0.392 0.000 0.855 325 Q N 2.241 122.163 119.800 0.204 0.000 2.333 325 Q HA 0.288 4.817 4.340 0.315 0.000 0.267 325 Q C -0.332 175.538 176.000 -0.216 0.000 1.012 325 Q CA -1.038 54.808 55.803 0.072 0.000 0.824 325 Q CB 1.147 29.911 28.738 0.043 0.000 1.290 325 Q HN 0.261 nan 8.270 nan 0.000 0.449 326 R N 3.795 123.941 120.500 -0.590 0.000 2.538 326 R HA 0.035 4.565 4.340 0.315 0.000 0.282 326 R C 0.718 176.604 176.300 -0.691 0.000 1.009 326 R CA 0.600 55.937 56.100 -1.271 0.000 1.063 326 R CB 0.215 29.834 30.300 -1.135 0.000 0.945 326 R HN 0.833 nan 8.270 nan 0.000 0.414 327 I N -0.483 119.661 120.570 -0.710 0.000 4.227 327 I HA 0.223 4.582 4.170 0.315 0.000 0.334 327 I C -0.240 175.661 176.117 -0.360 0.000 1.341 327 I CA -0.566 60.550 61.300 -0.306 0.000 1.123 327 I CB 0.900 38.857 38.000 -0.071 0.000 1.097 327 I HN 0.432 nan 8.210 nan 0.000 0.399 328 T N -2.841 111.259 114.554 -0.757 0.000 2.855 328 T HA 0.393 4.932 4.350 0.315 0.000 0.281 328 T C -0.306 173.965 174.700 -0.715 0.000 1.007 328 T CA -0.465 61.358 62.100 -0.461 0.000 1.009 328 T CB 1.563 70.249 68.868 -0.303 0.000 0.983 328 T HN 0.369 nan 8.240 nan 0.000 0.455 329 W N -0.200 121.068 121.300 -0.054 0.000 2.079 329 W HA 0.218 5.069 4.660 0.320 0.000 0.285 329 W C 0.452 176.958 176.519 -0.022 0.000 0.891 329 W CA -0.504 56.817 57.345 -0.040 0.000 1.308 329 W CB 0.382 29.818 29.460 -0.040 0.000 1.047 329 W HN 0.699 nan 8.180 nan 0.000 0.522 330 E N 1.400 121.682 120.200 0.138 0.000 2.465 330 E HA 0.329 4.869 4.350 0.315 0.000 0.260 330 E C 1.172 177.804 176.600 0.053 0.000 0.980 330 E CA 1.975 58.425 56.400 0.083 0.000 0.927 330 E CB 0.331 30.062 29.700 0.052 0.000 0.934 330 E HN 0.243 nan 8.360 nan 0.000 0.459 331 G N 3.699 112.531 108.800 0.053 0.000 2.581 331 G HA2 -0.349 3.800 3.960 0.315 0.000 0.291 331 G HA3 -0.349 3.800 3.960 0.315 0.000 0.291 331 G C 0.754 175.673 174.900 0.031 0.000 1.277 331 G CA 0.788 45.910 45.100 0.037 0.000 0.959 331 G HN 1.154 nan 8.290 nan 0.000 0.554 332 S N -1.147 114.561 115.700 0.014 0.000 2.512 332 S HA 0.476 5.136 4.470 0.315 0.000 0.216 332 S C 0.598 175.190 174.600 -0.013 0.000 1.006 332 S CA 1.288 59.493 58.200 0.008 0.000 0.915 332 S CB 0.790 63.995 63.200 0.008 0.000 0.824 332 S HN 1.169 nan 8.310 nan 0.000 0.497 333 Q N 0.350 120.135 119.800 -0.025 0.000 2.438 333 Q HA 0.429 4.958 4.340 0.315 0.000 0.272 333 Q C -2.292 173.679 176.000 -0.049 0.000 0.994 333 Q CA -0.594 55.184 55.803 -0.041 0.000 0.887 333 Q CB 1.260 29.979 28.738 -0.033 0.000 1.432 333 Q HN 0.306 nan 8.270 nan 0.000 0.392 334 N N 2.825 121.486 118.700 -0.064 0.000 2.308 334 N HA 0.391 5.321 4.740 0.315 0.000 0.283 334 N C -1.666 173.810 175.510 -0.055 0.000 1.105 334 N CA -0.371 52.641 53.050 -0.062 0.000 0.840 334 N CB 2.404 40.841 38.487 -0.083 0.000 1.633 334 N HN 0.747 nan 8.380 nan 0.000 0.476 335 Q N -0.569 119.209 119.800 -0.036 0.000 2.841 335 Q HA 0.272 4.801 4.340 0.315 0.000 0.309 335 Q C -1.684 174.318 176.000 0.004 0.000 0.868 335 Q CA -0.567 55.225 55.803 -0.018 0.000 0.760 335 Q CB 1.141 29.874 28.738 -0.008 0.000 1.454 335 Q HN 0.342 nan 8.270 nan 0.000 0.449 336 D N -0.731 119.687 120.400 0.031 0.000 2.760 336 D HA -0.146 4.684 4.640 0.315 0.000 0.244 336 D C -1.124 175.207 176.300 0.052 0.000 1.123 336 D CA 1.281 55.315 54.000 0.056 0.000 0.719 336 D CB -0.974 39.861 40.800 0.058 0.000 1.045 336 D HN 0.882 nan 8.370 nan 0.000 0.426 337 A N 1.102 123.946 122.820 0.040 0.000 2.264 337 A HA 0.632 5.142 4.320 0.315 0.000 0.304 337 A C -0.086 177.511 177.584 0.022 0.000 1.100 337 A CA -0.279 51.769 52.037 0.018 0.000 0.839 337 A CB 1.244 20.236 19.000 -0.012 0.000 1.121 337 A HN 0.307 nan 8.150 nan 0.000 0.496 338 D N 0.133 120.532 120.400 -0.001 0.000 2.736 338 D HA 0.433 5.262 4.640 0.315 0.000 0.243 338 D C -1.177 175.057 176.300 -0.110 0.000 1.304 338 D CA -0.120 53.873 54.000 -0.011 0.000 0.934 338 D CB 1.638 42.469 40.800 0.052 0.000 1.382 338 D HN 0.245 nan 8.370 nan 0.000 0.571 339 V N 3.051 122.848 119.914 -0.196 0.000 2.649 339 V HA 0.357 4.666 4.120 0.315 0.000 0.292 339 V C 0.870 176.743 176.094 -0.367 0.000 1.055 339 V CA -0.542 61.540 62.300 -0.363 0.000 1.023 339 V CB 1.354 32.822 31.823 -0.592 0.000 0.992 339 V HN 0.742 nan 8.190 nan 0.000 0.480 340 S N 3.045 118.393 115.700 -0.587 0.000 2.584 340 S HA 0.061 4.720 4.470 0.315 0.000 0.270 340 S C 1.403 175.804 174.600 -0.332 0.000 1.346 340 S CA 0.065 57.881 58.200 -0.640 0.000 1.018 340 S CB 1.030 63.420 63.200 -1.350 0.000 0.899 340 S HN 1.045 nan 8.310 nan 0.000 0.542 341 S N 0.254 115.815 115.700 -0.231 0.000 2.447 341 S HA -0.143 4.517 4.470 0.315 0.000 0.233 341 S C 0.965 175.528 174.600 -0.062 0.000 1.006 341 S CA 0.892 59.025 58.200 -0.112 0.000 0.957 341 S CB -0.737 62.404 63.200 -0.098 0.000 0.773 341 S HN 0.925 nan 8.310 nan 0.000 0.507 342 D N 0.039 120.391 120.400 -0.080 0.000 2.349 342 D HA 0.269 5.099 4.640 0.315 0.000 0.214 342 D C 1.420 177.719 176.300 -0.002 0.000 1.063 342 D CA 0.479 54.472 54.000 -0.012 0.000 0.847 342 D CB -0.621 40.194 40.800 0.026 0.000 0.933 342 D HN 0.496 nan 8.370 nan 0.000 0.513 343 G N 0.947 109.709 108.800 -0.063 0.000 2.189 343 G HA2 -0.375 3.774 3.960 0.315 0.000 0.267 343 G HA3 -0.375 3.774 3.960 0.315 0.000 0.267 343 G C 1.236 176.155 174.900 0.031 0.000 0.975 343 G CA 0.594 45.698 45.100 0.007 0.000 0.644 343 G HN 0.370 nan 8.290 nan 0.000 0.537 344 K N -0.683 119.724 120.400 0.011 0.000 2.228 344 K HA 0.237 4.747 4.320 0.315 0.000 0.202 344 K C 0.922 177.655 176.600 0.221 0.000 1.051 344 K CA 1.413 57.785 56.287 0.141 0.000 0.960 344 K CB -0.002 32.627 32.500 0.216 0.000 0.743 344 K HN 0.883 nan 8.250 nan 0.000 0.458 345 F N -0.527 119.431 119.950 0.014 0.000 2.686 345 F HA 0.523 5.237 4.527 0.310 0.000 0.311 345 F C -1.000 174.776 175.800 -0.039 0.000 1.128 345 F CA -1.750 56.250 58.000 0.000 0.000 0.946 345 F CB 0.909 39.910 39.000 0.001 0.000 1.336 345 F HN -0.208 nan 8.300 nan 0.000 0.457 346 M N 2.437 122.098 119.600 0.102 0.000 2.644 346 M HA 0.876 5.545 4.480 0.315 0.000 0.304 346 M C -1.408 175.009 176.300 0.196 0.000 1.215 346 M CA -1.149 54.144 55.300 -0.012 0.000 0.871 346 M CB 2.305 34.859 32.600 -0.075 0.000 1.740 346 M HN 0.820 nan 8.290 nan 0.000 0.464 347 V N 0.675 120.667 119.914 0.130 0.000 2.850 347 V HA 0.888 5.197 4.120 0.315 0.000 0.315 347 V C -0.362 175.764 176.094 0.054 0.000 1.064 347 V CA -0.686 61.687 62.300 0.122 0.000 0.979 347 V CB 1.697 33.605 31.823 0.141 0.000 1.039 347 V HN 1.189 nan 8.190 nan 0.000 0.452 348 M N 1.760 121.378 119.600 0.030 0.000 3.008 348 M HA 0.777 5.446 4.480 0.315 0.000 0.271 348 M C -1.946 174.347 176.300 -0.011 0.000 1.265 348 M CA -0.850 54.457 55.300 0.011 0.000 0.817 348 M CB 1.962 34.563 32.600 0.001 0.000 1.638 348 M HN 0.359 nan 8.290 nan 0.000 0.479 349 V N 1.512 121.417 119.914 -0.016 0.000 2.347 349 V HA 0.554 4.863 4.120 0.315 0.000 0.280 349 V C -0.437 175.635 176.094 -0.038 0.000 1.021 349 V CA -0.272 62.007 62.300 -0.036 0.000 0.847 349 V CB 1.216 33.019 31.823 -0.034 0.000 0.990 349 V HN 0.804 nan 8.190 nan 0.000 0.444 350 S N 3.606 119.283 115.700 -0.038 0.000 2.478 350 S HA 0.664 5.323 4.470 0.315 0.000 0.312 350 S C -0.326 174.246 174.600 -0.047 0.000 1.094 350 S CA -0.403 57.781 58.200 -0.028 0.000 1.081 350 S CB 1.289 64.489 63.200 0.000 0.000 1.007 350 S HN 0.723 nan 8.310 nan 0.000 0.475 351 S N 4.011 119.684 115.700 -0.046 0.000 2.473 351 S HA 0.641 5.300 4.470 0.315 0.000 0.307 351 S C -0.754 173.827 174.600 -0.032 0.000 1.094 351 S CA -0.811 57.350 58.200 -0.064 0.000 1.070 351 S CB 1.194 64.355 63.200 -0.064 0.000 1.019 351 S HN 0.794 nan 8.310 nan 0.000 0.480 352 N N 0.312 118.995 118.700 -0.028 0.000 2.446 352 N HA 0.485 5.414 4.740 0.315 0.000 0.272 352 N C -0.008 175.507 175.510 0.010 0.000 1.127 352 N CA 0.397 53.449 53.050 0.003 0.000 0.896 352 N CB 1.346 39.849 38.487 0.026 0.000 1.658 352 N HN 0.769 nan 8.380 nan 0.000 0.483 353 G N 1.636 110.446 108.800 0.016 0.000 2.356 353 G HA2 0.025 4.174 3.960 0.315 0.000 0.296 353 G HA3 0.025 4.174 3.960 0.315 0.000 0.296 353 G C 0.992 175.907 174.900 0.024 0.000 1.022 353 G CA 1.148 46.263 45.100 0.025 0.000 0.961 353 G HN 1.858 nan 8.290 nan 0.000 0.510 354 G N -2.349 106.457 108.800 0.010 0.000 2.168 354 G HA2 -0.215 3.934 3.960 0.315 0.000 0.263 354 G HA3 -0.215 3.934 3.960 0.315 0.000 0.263 354 G C 0.244 175.148 174.900 0.007 0.000 0.977 354 G CA 1.310 46.418 45.100 0.014 0.000 0.659 354 G HN 1.117 nan 8.290 nan 0.000 0.533 355 Q N -0.393 119.386 119.800 -0.034 0.000 2.416 355 Q HA 0.648 5.178 4.340 0.315 0.000 0.279 355 Q C 0.056 175.883 176.000 -0.289 0.000 1.101 355 Q CA -0.432 55.293 55.803 -0.130 0.000 0.830 355 Q CB 1.803 30.505 28.738 -0.059 0.000 1.402 355 Q HN 0.807 nan 8.270 nan 0.000 0.445 356 Q N 0.292 119.779 119.800 -0.521 0.000 2.289 356 Q HA 0.693 5.223 4.340 0.315 0.000 0.270 356 Q C -1.423 174.191 176.000 -0.643 0.000 1.038 356 Q CA -0.615 54.926 55.803 -0.436 0.000 0.812 356 Q CB 2.008 30.597 28.738 -0.248 0.000 1.300 356 Q HN 0.669 nan 8.270 nan 0.000 0.427 357 H N 0.706 119.741 119.070 -0.059 0.000 2.977 357 H HA 0.497 5.240 4.556 0.312 0.000 0.350 357 H C -0.589 174.658 175.328 -0.134 0.000 1.238 357 H CA -1.093 54.903 56.048 -0.087 0.000 1.124 357 H CB 1.549 31.280 29.762 -0.051 0.000 1.866 357 H HN 0.501 nan 8.280 nan 0.000 0.550 358 I N 1.572 122.088 120.570 -0.090 0.000 2.474 358 I HA 0.443 4.802 4.170 0.315 0.000 0.287 358 I C 0.403 176.481 176.117 -0.064 0.000 1.048 358 I CA 0.013 61.215 61.300 -0.164 0.000 1.383 358 I CB 0.396 38.155 38.000 -0.401 0.000 1.412 358 I HN 0.627 nan 8.210 nan 0.000 0.531 359 A N 6.806 129.609 122.820 -0.027 0.000 2.469 359 A HA 0.710 5.220 4.320 0.315 0.000 0.299 359 A C -0.540 177.058 177.584 0.022 0.000 1.098 359 A CA -0.785 51.252 52.037 0.001 0.000 0.737 359 A CB 1.963 20.972 19.000 0.015 0.000 1.312 359 A HN 0.689 nan 8.150 nan 0.000 0.414 360 K N 0.932 121.348 120.400 0.026 0.000 2.292 360 K HA 0.540 5.050 4.320 0.315 0.000 0.257 360 K C -0.994 175.643 176.600 0.062 0.000 0.940 360 K CA -0.303 56.019 56.287 0.058 0.000 0.811 360 K CB 1.461 33.946 32.500 -0.024 0.000 1.120 360 K HN 0.779 nan 8.250 nan 0.000 0.428 361 Q N 3.391 123.261 119.800 0.117 0.000 2.321 361 Q HA 0.143 4.672 4.340 0.315 0.000 0.270 361 Q C -1.486 174.610 176.000 0.159 0.000 1.032 361 Q CA -0.816 55.051 55.803 0.106 0.000 0.784 361 Q CB 1.542 30.333 28.738 0.089 0.000 1.264 361 Q HN 0.627 nan 8.270 nan 0.000 0.448 362 D N 4.543 125.020 120.400 0.127 0.000 2.317 362 D HA 0.066 4.895 4.640 0.315 0.000 0.252 362 D C 0.482 176.867 176.300 0.142 0.000 1.174 362 D CA 0.073 54.163 54.000 0.149 0.000 0.866 362 D CB 1.091 41.944 40.800 0.088 0.000 1.127 362 D HN 0.777 nan 8.370 nan 0.000 0.467 363 L N 3.310 124.632 121.223 0.164 0.000 2.478 363 L HA 0.001 4.531 4.340 0.315 0.000 0.223 363 L C 2.189 179.142 176.870 0.138 0.000 1.140 363 L CA 0.523 55.459 54.840 0.160 0.000 0.842 363 L CB -0.036 42.141 42.059 0.197 0.000 0.953 363 L HN 0.470 nan 8.230 nan 0.000 0.452 364 A N -0.187 122.703 122.820 0.116 0.000 1.911 364 A HA -0.089 4.420 4.320 0.315 0.000 0.212 364 A C 2.334 179.958 177.584 0.068 0.000 1.189 364 A CA 1.500 53.589 52.037 0.087 0.000 0.639 364 A CB -0.450 18.596 19.000 0.076 0.000 0.839 364 A HN 0.400 nan 8.150 nan 0.000 0.449 365 T N -5.132 109.462 114.554 0.067 0.000 3.037 365 T HA 0.398 4.937 4.350 0.315 0.000 0.252 365 T C 1.499 176.229 174.700 0.050 0.000 1.073 365 T CA 1.229 63.357 62.100 0.046 0.000 1.091 365 T CB 0.231 69.121 68.868 0.037 0.000 0.935 365 T HN 1.663 nan 8.240 nan 0.000 0.488 366 G N 0.992 109.838 108.800 0.077 0.000 2.176 366 G HA2 -0.073 4.076 3.960 0.315 0.000 0.253 366 G HA3 -0.073 4.076 3.960 0.315 0.000 0.253 366 G C 0.460 175.407 174.900 0.079 0.000 0.979 366 G CA -0.081 45.077 45.100 0.096 0.000 0.641 366 G HN 1.032 nan 8.290 nan 0.000 0.530 367 G N -0.953 107.882 108.800 0.058 0.000 2.527 367 G HA2 0.600 4.749 3.960 0.315 0.000 0.248 367 G HA3 0.600 4.749 3.960 0.315 0.000 0.248 367 G C -0.253 174.675 174.900 0.046 0.000 1.231 367 G CA 0.391 45.516 45.100 0.043 0.000 0.838 367 G HN 1.064 nan 8.290 nan 0.000 0.570 368 V N 1.221 121.157 119.914 0.036 0.000 2.709 368 V HA 0.494 4.804 4.120 0.315 0.000 0.308 368 V C -0.236 175.866 176.094 0.014 0.000 1.062 368 V CA -0.735 61.584 62.300 0.033 0.000 0.901 368 V CB 1.801 33.650 31.823 0.044 0.000 1.003 368 V HN 0.856 nan 8.190 nan 0.000 0.425 369 Q N 2.559 122.360 119.800 0.002 0.000 2.321 369 Q HA 0.623 5.152 4.340 0.315 0.000 0.270 369 Q C -1.581 174.414 176.000 -0.008 0.000 1.032 369 Q CA -0.542 55.255 55.803 -0.010 0.000 0.784 369 Q CB 2.372 31.092 28.738 -0.030 0.000 1.264 369 Q HN 0.595 nan 8.270 nan 0.000 0.448 370 V N 6.178 126.089 119.914 -0.006 0.000 2.508 370 V HA 0.040 4.349 4.120 0.315 0.000 0.281 370 V C 1.095 177.172 176.094 -0.029 0.000 1.041 370 V CA 0.335 62.629 62.300 -0.010 0.000 1.016 370 V CB 0.889 32.710 31.823 -0.003 0.000 0.984 370 V HN 0.885 nan 8.190 nan 0.000 0.478 371 L N 3.429 124.631 121.223 -0.036 0.000 2.316 371 L HA 0.158 4.687 4.340 0.315 0.000 0.207 371 L C 1.122 177.969 176.870 -0.039 0.000 1.070 371 L CA 0.559 55.381 54.840 -0.031 0.000 0.820 371 L CB 0.120 42.163 42.059 -0.026 0.000 0.992 371 L HN 0.786 nan 8.230 nan 0.000 0.466 372 S N -1.437 114.216 115.700 -0.079 0.000 2.600 372 S HA 0.457 5.116 4.470 0.315 0.000 0.300 372 S C 0.242 174.719 174.600 -0.205 0.000 1.087 372 S CA -0.072 58.088 58.200 -0.067 0.000 0.965 372 S CB 2.000 65.147 63.200 -0.089 0.000 1.089 372 S HN 0.136 nan 8.310 nan 0.000 0.496 373 S N -0.647 114.964 115.700 -0.148 0.000 2.900 373 S HA 0.243 4.902 4.470 0.315 0.000 0.253 373 S C 0.639 175.232 174.600 -0.011 0.000 1.029 373 S CA -0.015 57.995 58.200 -0.317 0.000 1.096 373 S CB -0.790 62.295 63.200 -0.192 0.000 1.067 373 S HN 1.038 nan 8.310 nan 0.000 0.610 374 T N 0.386 115.041 114.554 0.169 0.000 2.726 374 T HA 0.518 5.057 4.350 0.315 0.000 0.294 374 T C -0.391 174.549 174.700 0.400 0.000 1.013 374 T CA -0.461 61.804 62.100 0.275 0.000 0.996 374 T CB 0.149 69.186 68.868 0.282 0.000 1.016 374 T HN 0.244 nan 8.240 nan 0.000 0.529 375 F N 2.328 122.379 119.950 0.167 0.000 2.410 375 F HA 0.485 5.207 4.527 0.325 0.000 0.349 375 F C 0.498 176.345 175.800 0.078 0.000 1.117 375 F CA -1.669 56.400 58.000 0.115 0.000 1.104 375 F CB 0.249 39.290 39.000 0.068 0.000 1.122 375 F HN 0.542 nan 8.300 nan 0.000 0.483 376 L N 5.383 126.213 121.223 -0.655 0.000 3.418 376 L HA -0.218 4.311 4.340 0.315 0.000 0.493 376 L C -1.044 175.686 176.870 -0.234 0.000 1.315 376 L CA 0.312 54.768 54.840 -0.640 0.000 0.885 376 L CB -1.735 39.804 42.059 -0.867 0.000 1.727 376 L HN 0.662 nan 8.230 nan 0.000 0.837 377 D N 2.272 122.607 120.400 -0.109 0.000 2.389 377 D HA 0.475 5.304 4.640 0.315 0.000 0.247 377 D C 0.845 177.146 176.300 0.003 0.000 1.128 377 D CA 0.377 54.413 54.000 0.059 0.000 0.884 377 D CB 0.965 41.785 40.800 0.033 0.000 1.194 377 D HN 0.635 nan 8.370 nan 0.000 0.441 378 E N -1.720 118.536 120.200 0.094 0.000 2.458 378 E HA 0.407 4.946 4.350 0.315 0.000 0.278 378 E C -0.905 175.765 176.600 0.115 0.000 1.004 378 E CA -1.127 55.299 56.400 0.043 0.000 0.823 378 E CB 0.878 30.559 29.700 -0.031 0.000 1.396 378 E HN 0.210 nan 8.360 nan 0.000 0.463 379 T N -1.496 113.118 114.554 0.099 0.000 3.433 379 T HA -0.117 4.423 4.350 0.315 0.000 0.412 379 T C -2.275 172.554 174.700 0.216 0.000 0.768 379 T CA 0.373 62.567 62.100 0.157 0.000 2.077 379 T CB -1.972 66.990 68.868 0.157 0.000 1.700 379 T HN 0.452 nan 8.240 nan 0.000 0.666 380 P HA 0.553 nan 4.420 nan 0.000 0.280 380 P C -0.384 177.059 177.300 0.239 0.000 1.244 380 P CA -0.264 62.976 63.100 0.233 0.000 0.784 380 P CB 1.774 33.548 31.700 0.123 0.000 0.913 381 S N 2.898 118.780 115.700 0.303 0.000 2.532 381 S HA 0.515 5.174 4.470 0.315 0.000 0.299 381 S C -0.511 174.287 174.600 0.330 0.000 1.105 381 S CA -0.746 57.641 58.200 0.311 0.000 1.018 381 S CB 0.232 63.660 63.200 0.380 0.000 1.021 381 S HN 0.261 nan 8.310 nan 0.000 0.483 382 L N 3.879 125.210 121.223 0.181 0.000 2.326 382 L HA 0.575 5.104 4.340 0.315 0.000 0.278 382 L C 0.902 177.647 176.870 -0.208 0.000 1.092 382 L CA -0.594 54.262 54.840 0.026 0.000 0.810 382 L CB 1.082 43.111 42.059 -0.051 0.000 1.153 382 L HN 0.805 nan 8.230 nan 0.000 0.439 383 A N 5.540 127.892 122.820 -0.780 0.000 2.507 383 A HA 0.199 4.708 4.320 0.315 0.000 0.235 383 A C -1.457 175.615 177.584 -0.853 0.000 1.070 383 A CA -0.724 50.345 52.037 -1.614 0.000 0.768 383 A CB -0.290 17.466 19.000 -2.073 0.000 1.011 383 A HN 0.678 nan 8.150 nan 0.000 0.502 384 P HA -0.106 nan 4.420 nan 0.000 0.233 384 P C 0.542 177.470 177.300 -0.619 0.000 1.167 384 P CA 1.166 63.779 63.100 -0.811 0.000 0.770 384 P CB -0.276 30.648 31.700 -1.294 0.000 0.837 385 N N -0.796 117.627 118.700 -0.461 0.000 2.398 385 N HA 0.062 4.992 4.740 0.315 0.000 0.188 385 N C 1.160 176.617 175.510 -0.088 0.000 1.122 385 N CA 0.466 53.447 53.050 -0.115 0.000 0.866 385 N CB -0.521 37.953 38.487 -0.021 0.000 0.970 385 N HN -0.008 nan 8.380 nan 0.000 0.462 386 G N 0.956 109.665 108.800 -0.152 0.000 2.155 386 G HA2 -0.361 3.788 3.960 0.315 0.000 0.257 386 G HA3 -0.361 3.788 3.960 0.315 0.000 0.257 386 G C 0.800 175.768 174.900 0.113 0.000 0.983 386 G CA 0.973 46.111 45.100 0.063 0.000 0.676 386 G HN 0.608 nan 8.290 nan 0.000 0.528 387 T N -3.952 110.558 114.554 -0.072 0.000 3.040 387 T HA 0.660 5.199 4.350 0.315 0.000 0.250 387 T C 0.501 175.157 174.700 -0.074 0.000 1.058 387 T CA 1.148 63.215 62.100 -0.055 0.000 0.988 387 T CB 0.429 69.269 68.868 -0.047 0.000 0.993 387 T HN 0.692 nan 8.240 nan 0.000 0.519 388 M N 1.544 121.058 119.600 -0.142 0.000 2.421 388 M HA 0.622 5.292 4.480 0.315 0.000 0.287 388 M C -2.301 174.010 176.300 0.017 0.000 1.183 388 M CA -1.022 54.240 55.300 -0.063 0.000 0.916 388 M CB 2.497 34.984 32.600 -0.188 0.000 1.701 388 M HN -0.086 nan 8.290 nan 0.000 0.470 389 V N 4.549 124.626 119.914 0.271 0.000 2.487 389 V HA 0.615 4.924 4.120 0.315 0.000 0.298 389 V C -1.132 175.308 176.094 0.577 0.000 1.028 389 V CA -0.807 61.725 62.300 0.388 0.000 0.860 389 V CB 1.552 33.565 31.823 0.315 0.000 0.991 389 V HN 0.809 nan 8.190 nan 0.000 0.427 390 L N 6.917 128.525 121.223 0.641 0.000 2.307 390 L HA 0.764 5.293 4.340 0.315 0.000 0.282 390 L C -0.644 176.465 176.870 0.399 0.000 1.051 390 L CA 0.028 55.106 54.840 0.397 0.000 0.804 390 L CB 1.020 43.173 42.059 0.156 0.000 1.197 390 L HN 0.721 nan 8.230 nan 0.000 0.431 391 Y N 1.184 121.566 120.300 0.138 0.000 2.744 391 Y HA 0.762 5.478 4.550 0.276 0.000 0.330 391 Y C -1.139 174.789 175.900 0.047 0.000 1.263 391 Y CA -1.208 56.952 58.100 0.100 0.000 1.065 391 Y CB 1.002 39.521 38.460 0.098 0.000 1.306 391 Y HN 0.521 nan 8.280 nan 0.000 0.459 392 S N 0.905 116.650 115.700 0.074 0.000 2.513 392 S HA 0.866 5.525 4.470 0.315 0.000 0.299 392 S C -0.867 173.760 174.600 0.045 0.000 1.087 392 S CA 0.170 58.328 58.200 -0.070 0.000 1.012 392 S CB 0.894 64.050 63.200 -0.073 0.000 1.044 392 S HN 1.297 nan 8.310 nan 0.000 0.485 393 S N 2.592 118.272 115.700 -0.034 0.000 2.851 393 S HA 0.774 5.433 4.470 0.315 0.000 0.313 393 S C -0.989 173.613 174.600 0.002 0.000 1.163 393 S CA -0.769 57.452 58.200 0.035 0.000 0.850 393 S CB 1.299 64.578 63.200 0.131 0.000 1.245 393 S HN 0.565 nan 8.310 nan 0.000 0.558 394 S N 0.534 116.267 115.700 0.054 0.000 2.478 394 S HA 0.567 5.227 4.470 0.315 0.000 0.312 394 S C -1.149 173.565 174.600 0.191 0.000 1.094 394 S CA -0.566 57.701 58.200 0.111 0.000 1.081 394 S CB 1.155 64.443 63.200 0.146 0.000 1.007 394 S HN 0.620 nan 8.310 nan 0.000 0.475 395 Q N 1.618 121.479 119.800 0.102 0.000 2.310 395 Q HA 0.548 5.077 4.340 0.315 0.000 0.270 395 Q C 0.658 176.686 176.000 0.047 0.000 1.025 395 Q CA -0.061 55.786 55.803 0.074 0.000 0.772 395 Q CB 1.531 30.285 28.738 0.026 0.000 1.253 395 Q HN 0.986 nan 8.270 nan 0.000 0.450 396 G N 2.179 110.997 108.800 0.031 0.000 2.614 396 G HA2 -0.372 3.778 3.960 0.315 0.000 0.303 396 G HA3 -0.372 3.778 3.960 0.315 0.000 0.303 396 G C 0.370 175.290 174.900 0.033 0.000 1.270 396 G CA 0.639 45.745 45.100 0.011 0.000 0.988 396 G HN 0.624 nan 8.290 nan 0.000 0.551 397 M N 2.387 121.998 119.600 0.019 0.000 2.563 397 M HA 0.409 5.078 4.480 0.315 0.000 0.231 397 M C 1.001 177.316 176.300 0.024 0.000 1.136 397 M CA 1.412 56.726 55.300 0.024 0.000 1.026 397 M CB -0.080 32.525 32.600 0.009 0.000 1.597 397 M HN 1.019 nan 8.290 nan 0.000 0.495 398 G N -1.868 106.944 108.800 0.021 0.000 2.642 398 G HA2 0.567 4.716 3.960 0.315 0.000 0.293 398 G HA3 0.567 4.716 3.960 0.315 0.000 0.293 398 G C -1.207 173.695 174.900 0.002 0.000 1.341 398 G CA -0.649 44.455 45.100 0.006 0.000 0.916 398 G HN 0.049 nan 8.290 nan 0.000 0.474 399 S N -1.021 114.668 115.700 -0.017 0.000 2.580 399 S HA 0.596 5.255 4.470 0.315 0.000 0.274 399 S C 0.465 175.033 174.600 -0.054 0.000 1.329 399 S CA -0.266 57.910 58.200 -0.040 0.000 1.036 399 S CB 1.295 64.457 63.200 -0.063 0.000 0.919 399 S HN 1.356 nan 8.310 nan 0.000 0.515 400 V N 0.612 120.482 119.914 -0.074 0.000 3.160 400 V HA 0.665 4.974 4.120 0.315 0.000 0.310 400 V C -1.013 174.985 176.094 -0.159 0.000 1.181 400 V CA -1.199 61.036 62.300 -0.108 0.000 1.047 400 V CB 1.300 33.067 31.823 -0.093 0.000 1.068 400 V HN 0.718 nan 8.190 nan 0.000 0.441 401 L N 2.173 123.275 121.223 -0.201 0.000 2.325 401 L HA 0.624 5.153 4.340 0.315 0.000 0.279 401 L C -0.171 176.522 176.870 -0.295 0.000 1.054 401 L CA -0.422 54.266 54.840 -0.252 0.000 0.804 401 L CB 1.340 43.243 42.059 -0.261 0.000 1.200 401 L HN 0.764 nan 8.230 nan 0.000 0.436 402 N N 3.233 121.656 118.700 -0.462 0.000 2.240 402 N HA 0.638 5.568 4.740 0.315 0.000 0.302 402 N C -1.328 174.001 175.510 -0.302 0.000 1.106 402 N CA -0.600 52.155 53.050 -0.492 0.000 0.778 402 N CB 3.000 40.932 38.487 -0.926 0.000 1.431 402 N HN 0.331 nan 8.380 nan 0.000 0.479 403 L N 1.109 122.322 121.223 -0.016 0.000 2.346 403 L HA 0.668 5.197 4.340 0.315 0.000 0.276 403 L C -0.546 176.533 176.870 0.348 0.000 1.006 403 L CA -0.927 54.063 54.840 0.249 0.000 0.817 403 L CB 2.195 44.468 42.059 0.357 0.000 1.272 403 L HN 0.164 nan 8.230 nan 0.000 0.421 404 V N 2.068 122.250 119.914 0.447 0.000 2.733 404 V HA 0.494 4.804 4.120 0.315 0.000 0.306 404 V C -0.019 176.286 176.094 0.351 0.000 1.084 404 V CA -0.392 62.138 62.300 0.383 0.000 0.905 404 V CB 2.538 34.556 31.823 0.326 0.000 1.010 404 V HN 0.907 nan 8.190 nan 0.000 0.424 405 S N 3.508 119.424 115.700 0.359 0.000 2.580 405 S HA 0.099 4.758 4.470 0.315 0.000 0.266 405 S C 1.213 175.878 174.600 0.107 0.000 1.354 405 S CA 0.369 58.693 58.200 0.205 0.000 1.008 405 S CB 1.022 64.337 63.200 0.193 0.000 0.898 405 S HN 1.356 nan 8.310 nan 0.000 0.555 406 T N -2.443 112.128 114.554 0.029 0.000 3.148 406 T HA 0.021 4.560 4.350 0.315 0.000 0.253 406 T C 0.721 175.357 174.700 -0.107 0.000 1.134 406 T CA 0.647 62.709 62.100 -0.063 0.000 1.051 406 T CB -0.562 68.202 68.868 -0.172 0.000 0.959 406 T HN 0.799 nan 8.240 nan 0.000 0.525 407 D N 0.565 120.940 120.400 -0.042 0.000 2.349 407 D HA 0.223 5.052 4.640 0.315 0.000 0.214 407 D C 1.657 177.958 176.300 0.002 0.000 1.063 407 D CA 0.331 54.308 54.000 -0.037 0.000 0.847 407 D CB -0.672 40.113 40.800 -0.025 0.000 0.933 407 D HN 0.450 nan 8.370 nan 0.000 0.513 408 G N 0.899 109.718 108.800 0.033 0.000 2.162 408 G HA2 -0.393 3.756 3.960 0.315 0.000 0.260 408 G HA3 -0.393 3.756 3.960 0.315 0.000 0.260 408 G C 1.272 176.210 174.900 0.064 0.000 0.976 408 G CA 0.467 45.594 45.100 0.044 0.000 0.655 408 G HN 0.433 nan 8.290 nan 0.000 0.533 409 R N -1.266 119.290 120.500 0.093 0.000 2.128 409 R HA 0.252 4.782 4.340 0.315 0.000 0.211 409 R C 1.060 177.452 176.300 0.153 0.000 1.067 409 R CA 0.405 56.565 56.100 0.100 0.000 1.010 409 R CB 0.203 30.559 30.300 0.093 0.000 0.922 409 R HN 0.444 nan 8.270 nan 0.000 0.457 410 F N 2.246 122.232 119.950 0.061 0.000 2.404 410 F HA 0.300 5.012 4.527 0.309 0.000 0.345 410 F C -0.631 175.228 175.800 0.097 0.000 1.110 410 F CA -0.202 57.848 58.000 0.083 0.000 1.130 410 F CB 0.755 39.818 39.000 0.104 0.000 1.129 410 F HN -0.353 nan 8.300 nan 0.000 0.500 411 K N 5.519 125.534 120.400 -0.641 0.000 2.513 411 K HA 0.803 5.312 4.320 0.315 0.000 0.251 411 K C -1.348 174.917 176.600 -0.558 0.000 0.939 411 K CA -0.922 55.143 56.287 -0.371 0.000 0.793 411 K CB 2.060 34.480 32.500 -0.133 0.000 1.241 411 K HN 0.735 nan 8.250 nan 0.000 0.431 412 A N 2.648 125.299 122.820 -0.281 0.000 2.533 412 A HA 0.817 5.326 4.320 0.315 0.000 0.293 412 A C -1.338 176.209 177.584 -0.062 0.000 1.228 412 A CA -0.811 51.126 52.037 -0.168 0.000 0.689 412 A CB 1.545 20.533 19.000 -0.020 0.000 1.303 412 A HN 0.689 nan 8.150 nan 0.000 0.444 413 R N -1.537 118.932 120.500 -0.052 0.000 2.817 413 R HA 0.666 5.195 4.340 0.315 0.000 0.268 413 R C -1.852 174.402 176.300 -0.077 0.000 1.027 413 R CA -0.733 55.320 56.100 -0.079 0.000 0.928 413 R CB 1.587 31.835 30.300 -0.087 0.000 1.228 413 R HN 0.390 nan 8.270 nan 0.000 0.469 414 L N 2.608 123.756 121.223 -0.125 0.000 2.556 414 L HA 0.349 4.879 4.340 0.315 0.000 0.243 414 L C -2.232 174.540 176.870 -0.165 0.000 1.331 414 L CA -1.428 53.321 54.840 -0.152 0.000 0.927 414 L CB 0.965 42.897 42.059 -0.211 0.000 1.219 414 L HN 0.313 nan 8.230 nan 0.000 0.490 415 P HA 0.187 nan 4.420 nan 0.000 0.266 415 P C -0.429 176.792 177.300 -0.131 0.000 1.193 415 P CA 0.082 63.113 63.100 -0.116 0.000 0.770 415 P CB 1.176 32.824 31.700 -0.087 0.000 0.836 416 A N 1.803 124.550 122.820 -0.122 0.000 2.386 416 A HA 0.632 5.141 4.320 0.315 0.000 0.308 416 A C 1.129 178.664 177.584 -0.082 0.000 1.128 416 A CA -0.011 51.956 52.037 -0.116 0.000 0.789 416 A CB 0.753 19.675 19.000 -0.131 0.000 1.325 416 A HN 0.535 nan 8.150 nan 0.000 0.437 417 T N -2.360 112.152 114.554 -0.070 0.000 3.021 417 T HA 0.042 4.581 4.350 0.315 0.000 0.245 417 T C 0.488 175.162 174.700 -0.043 0.000 1.028 417 T CA 1.292 63.360 62.100 -0.054 0.000 1.139 417 T CB -0.227 68.610 68.868 -0.052 0.000 0.884 417 T HN 0.626 nan 8.240 nan 0.000 0.457 418 D N 0.801 121.179 120.400 -0.038 0.000 2.440 418 D HA 0.489 5.318 4.640 0.315 0.000 0.216 418 D C 0.897 177.180 176.300 -0.028 0.000 1.150 418 D CA -0.126 53.856 54.000 -0.029 0.000 0.832 418 D CB 0.329 41.117 40.800 -0.020 0.000 0.992 418 D HN 0.697 nan 8.370 nan 0.000 0.502 419 G N -0.475 108.305 108.800 -0.033 0.000 2.327 419 G HA2 0.142 4.291 3.960 0.315 0.000 0.291 419 G HA3 0.142 4.291 3.960 0.315 0.000 0.291 419 G C -1.563 173.318 174.900 -0.032 0.000 1.290 419 G CA -1.030 44.050 45.100 -0.033 0.000 0.857 419 G HN 0.057 nan 8.290 nan 0.000 0.520 420 Q N -0.998 118.786 119.800 -0.026 0.000 2.394 420 Q HA 0.533 5.063 4.340 0.315 0.000 0.248 420 Q C -0.448 175.547 176.000 -0.008 0.000 0.992 420 Q CA -0.266 55.523 55.803 -0.022 0.000 0.888 420 Q CB 1.874 30.605 28.738 -0.011 0.000 1.257 420 Q HN 0.407 nan 8.270 nan 0.000 0.462 421 V N 1.786 121.682 119.914 -0.030 0.000 2.638 421 V HA 0.512 4.821 4.120 0.315 0.000 0.306 421 V C -0.359 175.717 176.094 -0.030 0.000 1.052 421 V CA -0.724 61.563 62.300 -0.022 0.000 0.885 421 V CB 1.522 33.259 31.823 -0.143 0.000 0.999 421 V HN 0.865 nan 8.190 nan 0.000 0.424 422 K N 1.916 122.341 120.400 0.040 0.000 2.308 422 K HA 0.731 5.240 4.320 0.315 0.000 0.268 422 K C -0.700 175.976 176.600 0.127 0.000 0.992 422 K CA -1.118 55.150 56.287 -0.032 0.000 0.836 422 K CB 0.776 33.167 32.500 -0.183 0.000 1.507 422 K HN 0.173 nan 8.250 nan 0.000 0.394 423 F N 0.530 120.547 119.950 0.112 0.000 2.943 423 F HA -0.134 4.511 4.527 0.196 0.000 0.258 423 F C -2.082 173.810 175.800 0.153 0.000 0.995 423 F CA 0.258 58.335 58.000 0.129 0.000 0.896 423 F CB -1.864 37.206 39.000 0.117 0.000 0.821 423 F HN 0.378 nan 8.300 nan 0.000 0.828 424 P HA 0.508 nan 4.420 nan 0.000 0.274 424 P C -0.541 176.945 177.300 0.311 0.000 1.231 424 P CA -0.014 63.252 63.100 0.276 0.000 0.790 424 P CB 1.722 33.526 31.700 0.173 0.000 0.951 425 A N 2.498 125.527 122.820 0.347 0.000 2.429 425 A HA 0.382 4.892 4.320 0.315 0.000 0.289 425 A C -1.374 176.554 177.584 0.572 0.000 1.043 425 A CA -0.603 51.711 52.037 0.461 0.000 0.722 425 A CB 0.883 20.157 19.000 0.458 0.000 1.243 425 A HN 0.492 nan 8.150 nan 0.000 0.415 426 W N 3.976 125.445 121.300 0.282 0.000 2.304 426 W HA 0.395 5.226 4.660 0.286 0.000 0.313 426 W C 0.805 177.150 176.519 -0.288 0.000 1.323 426 W CA 0.205 57.586 57.345 0.059 0.000 1.223 426 W CB 1.574 31.029 29.460 -0.009 0.000 1.237 426 W HN 0.916 nan 8.180 nan 0.000 0.535 427 S N 7.473 122.847 115.700 -0.544 0.000 2.576 427 S HA 0.227 4.886 4.470 0.315 0.000 0.272 427 S C -1.835 172.492 174.600 -0.455 0.000 1.352 427 S CA -0.968 56.433 58.200 -1.331 0.000 1.021 427 S CB 0.949 63.198 63.200 -1.585 0.000 0.887 427 S HN 0.374 nan 8.310 nan 0.000 0.542 428 P HA 0.082 nan 4.420 nan 0.000 0.280 428 P C -0.506 176.630 177.300 -0.274 0.000 1.278 428 P CA -0.316 62.614 63.100 -0.283 0.000 0.787 428 P CB 0.058 31.684 31.700 -0.124 0.000 1.163 429 Y N -1.040 119.189 120.300 -0.119 0.000 2.511 429 Y HA 0.150 4.897 4.550 0.327 0.000 0.332 429 Y C 1.137 176.999 175.900 -0.064 0.000 1.177 429 Y CA 0.705 58.743 58.100 -0.103 0.000 1.422 429 Y CB -0.313 38.093 38.460 -0.089 0.000 1.271 429 Y HN 0.073 nan 8.280 nan 0.000 0.550 430 L N 0.000 121.306 121.223 0.138 0.000 2.949 430 L HA 0.000 4.529 4.340 0.315 0.000 0.249 430 L CA 0.000 54.920 54.840 0.133 0.000 0.813 430 L CB 0.000 42.144 42.059 0.142 0.000 0.961 430 L HN 0.000 nan 8.230 nan 0.000 0.502