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 1cwu_1_B DATA FIRST_RESID 12 DATA SEQUENCE LPIDLRGKRA FIAGIADDNG YGWAVAKSLA AAGAEILVGT WVPALNIFET DATA SEQUENCE SLRRGKFDQS RVLPDGSLME IKKVYPLDAV FDNPEDVPED VKANKRYAGS DATA SEQUENCE SNWTVQEAAE CVRQDFGSID ILVHSLGNGP EVSKPLLETS RKGYLAAISA DATA SEQUENCE SSYSFVSLLS HFLPIMNPGG ASISLTYIAS ERIIPGYGGG MSSAKAALES DATA SEQUENCE DTRVLAFEAG RKQNIRVNTI SAGPLGSRAA KAIGFIDTMI EYSYNNAPIQ DATA SEQUENCE KTLTADEVGN AAAFLVSPLA SAITGATIYV DNGLNSMGVA LDSPVF 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.882 176.870 0.020 0.000 1.165 12 L CA 0.000 54.848 54.840 0.014 0.000 0.813 12 L CB 0.000 42.066 42.059 0.012 0.000 0.961 13 P HA 0.498 nan 4.420 nan 0.000 0.281 13 P C -0.581 176.745 177.300 0.044 0.000 1.249 13 P CA -0.370 62.746 63.100 0.027 0.000 0.810 13 P CB 1.549 33.261 31.700 0.020 0.000 1.008 14 I N 1.978 122.578 120.570 0.051 0.000 2.269 14 I HA 0.061 4.231 4.170 -0.000 0.000 0.293 14 I C 0.208 176.347 176.117 0.037 0.000 1.106 14 I CA -0.267 61.076 61.300 0.071 0.000 1.248 14 I CB 0.092 38.147 38.000 0.092 0.000 1.444 14 I HN 0.287 nan 8.210 nan 0.000 0.497 15 D N 7.200 127.617 120.400 0.027 0.000 2.380 15 D HA 0.245 4.884 4.640 -0.000 0.000 0.230 15 D C 0.469 176.770 176.300 0.002 0.000 1.154 15 D CA -0.047 53.961 54.000 0.012 0.000 0.859 15 D CB 1.000 41.807 40.800 0.012 0.000 1.045 15 D HN 0.432 nan 8.370 nan 0.000 0.495 16 L N 3.282 124.503 121.223 -0.004 0.000 2.769 16 L HA 0.281 4.621 4.340 -0.000 0.000 0.240 16 L C 0.940 177.802 176.870 -0.014 0.000 1.163 16 L CA -0.390 54.442 54.840 -0.013 0.000 0.962 16 L CB 0.044 42.091 42.059 -0.020 0.000 1.258 16 L HN 0.066 nan 8.230 nan 0.000 0.513 17 R N 0.933 121.428 120.500 -0.008 0.000 2.583 17 R HA 0.172 4.512 4.340 -0.000 0.000 0.274 17 R C 1.281 177.578 176.300 -0.005 0.000 0.998 17 R CA 0.844 56.940 56.100 -0.007 0.000 1.081 17 R CB -0.033 30.266 30.300 -0.002 0.000 0.940 17 R HN 0.327 nan 8.270 nan 0.000 0.413 18 G N 1.556 110.353 108.800 -0.005 0.000 2.162 18 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 18 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 18 G C -0.105 174.793 174.900 -0.003 0.000 0.976 18 G CA 0.085 45.185 45.100 0.000 0.000 0.655 18 G HN 0.448 nan 8.290 nan 0.000 0.533 19 K N 0.046 120.438 120.400 -0.013 0.000 2.164 19 K HA 0.548 4.868 4.320 -0.000 0.000 0.258 19 K C 0.152 176.733 176.600 -0.031 0.000 0.951 19 K CA -0.809 55.468 56.287 -0.017 0.000 0.844 19 K CB 2.063 34.551 32.500 -0.021 0.000 1.099 19 K HN 0.337 nan 8.250 nan 0.000 0.435 20 R N 0.807 121.290 120.500 -0.030 0.000 2.514 20 R HA 0.595 4.934 4.340 -0.000 0.000 0.301 20 R C -1.282 174.993 176.300 -0.043 0.000 0.962 20 R CA -0.416 55.652 56.100 -0.053 0.000 0.882 20 R CB 1.478 31.745 30.300 -0.055 0.000 1.143 20 R HN 0.726 nan 8.270 nan 0.000 0.452 21 A N 3.987 126.772 122.820 -0.059 0.000 2.371 21 A HA 0.526 4.846 4.320 -0.000 0.000 0.311 21 A C -1.732 175.829 177.584 -0.038 0.000 1.068 21 A CA -0.586 51.423 52.037 -0.046 0.000 0.744 21 A CB 1.056 20.018 19.000 -0.063 0.000 1.239 21 A HN 0.685 nan 8.150 nan 0.000 0.435 22 F N 3.296 123.121 119.950 -0.209 0.000 2.375 22 F HA 0.644 5.171 4.527 -0.000 0.000 0.361 22 F C -0.751 174.909 175.800 -0.234 0.000 1.117 22 F CA -0.868 56.969 58.000 -0.273 0.000 1.037 22 F CB 0.936 39.621 39.000 -0.525 0.000 1.192 22 F HN 0.410 nan 8.300 nan 0.000 0.452 23 I N 6.892 127.153 120.570 -0.515 0.000 2.347 23 I HA 0.382 4.552 4.170 -0.000 0.000 0.283 23 I C 0.063 175.927 176.117 -0.422 0.000 1.058 23 I CA -0.692 60.416 61.300 -0.320 0.000 1.202 23 I CB 0.981 38.848 38.000 -0.222 0.000 1.386 23 I HN 0.705 nan 8.210 nan 0.000 0.475 24 A N 4.763 127.461 122.820 -0.202 0.000 2.347 24 A HA 0.643 4.963 4.320 -0.000 0.000 0.287 24 A C 1.034 178.558 177.584 -0.101 0.000 1.199 24 A CA 0.394 52.388 52.037 -0.071 0.000 0.851 24 A CB -0.041 19.079 19.000 0.199 0.000 1.118 24 A HN 1.068 nan 8.150 nan 0.000 0.525 25 G N 2.019 110.748 108.800 -0.119 0.000 2.789 25 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.218 25 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.218 25 G C -0.271 174.557 174.900 -0.121 0.000 0.980 25 G CA -0.255 44.774 45.100 -0.119 0.000 0.848 25 G HN 0.589 nan 8.290 nan 0.000 0.591 26 I N 0.932 121.386 120.570 -0.194 0.000 2.498 26 I HA 0.723 4.893 4.170 -0.000 0.000 0.301 26 I C 0.943 176.740 176.117 -0.533 0.000 0.984 26 I CA 0.227 61.355 61.300 -0.286 0.000 1.204 26 I CB 2.127 39.976 38.000 -0.250 0.000 1.362 26 I HN 0.212 nan 8.210 nan 0.000 0.471 27 A N 3.125 125.673 122.820 -0.453 0.000 2.733 27 A HA 0.393 4.712 4.320 -0.000 0.000 0.232 27 A C -0.406 177.152 177.584 -0.044 0.000 1.251 27 A CA 0.147 51.970 52.037 -0.357 0.000 1.015 27 A CB -0.071 18.893 19.000 -0.060 0.000 1.291 27 A HN 0.750 nan 8.150 nan 0.000 0.595 28 D N -1.656 118.683 120.400 -0.103 0.000 2.804 28 D HA 0.115 4.754 4.640 -0.000 0.000 0.309 28 D C -1.209 174.743 176.300 -0.581 0.000 1.311 28 D CA 0.337 54.226 54.000 -0.185 0.000 0.765 28 D CB -0.374 40.390 40.800 -0.060 0.000 1.293 28 D HN -0.096 nan 8.370 nan 0.000 0.434 29 D N -0.999 118.684 120.400 -1.195 0.000 2.358 29 D HA 0.081 4.721 4.640 -0.000 0.000 0.224 29 D C -0.076 175.833 176.300 -0.652 0.000 1.123 29 D CA -0.162 52.912 54.000 -1.543 0.000 0.833 29 D CB -0.388 39.079 40.800 -2.221 0.000 0.946 29 D HN 0.266 nan 8.370 nan 0.000 0.505 30 N N 0.327 118.814 118.700 -0.355 0.000 2.325 30 N HA 0.126 4.866 4.740 -0.000 0.000 0.182 30 N C 1.006 176.423 175.510 -0.155 0.000 1.088 30 N CA 0.308 53.238 53.050 -0.199 0.000 0.879 30 N CB 1.020 39.422 38.487 -0.140 0.000 0.983 30 N HN 0.298 nan 8.380 nan 0.000 0.471 31 G N -1.028 107.702 108.800 -0.118 0.000 2.820 31 G HA2 0.324 4.284 3.960 -0.000 0.000 0.291 31 G HA3 0.324 4.284 3.960 -0.000 0.000 0.291 31 G C 0.032 174.921 174.900 -0.018 0.000 1.323 31 G CA -0.395 44.630 45.100 -0.125 0.000 1.055 31 G HN -0.094 nan 8.290 nan 0.000 0.520 32 Y N 0.628 120.953 120.300 0.041 0.000 2.224 32 Y HA -0.062 4.488 4.550 -0.000 0.000 0.289 32 Y C 2.929 178.861 175.900 0.053 0.000 1.146 32 Y CA 1.557 59.685 58.100 0.046 0.000 1.182 32 Y CB -0.641 37.835 38.460 0.026 0.000 0.983 32 Y HN 0.513 nan 8.280 nan 0.000 0.524 33 G N -0.559 108.359 108.800 0.197 0.000 2.442 33 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 33 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 33 G C 1.669 176.635 174.900 0.111 0.000 1.141 33 G CA 0.687 45.851 45.100 0.107 0.000 0.763 33 G HN 0.577 nan 8.290 nan 0.000 0.554 34 W N 1.618 122.899 121.300 -0.032 0.000 2.354 34 W HA -0.089 4.571 4.660 -0.000 0.000 0.315 34 W C 2.612 179.128 176.519 -0.005 0.000 1.206 34 W CA 1.847 59.167 57.345 -0.041 0.000 1.290 34 W CB -0.385 29.024 29.460 -0.085 0.000 1.152 34 W HN 0.330 nan 8.180 nan 0.000 0.489 35 A N 0.595 123.529 122.820 0.189 0.000 1.892 35 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 35 A C 2.078 179.664 177.584 0.003 0.000 1.188 35 A CA 2.709 54.810 52.037 0.106 0.000 0.631 35 A CB -1.251 17.872 19.000 0.206 0.000 0.822 35 A HN 0.168 nan 8.150 nan 0.000 0.447 36 V N -0.204 119.722 119.914 0.020 0.000 2.343 36 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 36 V C 3.047 179.085 176.094 -0.093 0.000 1.051 36 V CA 1.948 64.234 62.300 -0.024 0.000 1.036 36 V CB -1.368 30.449 31.823 -0.010 0.000 0.654 36 V HN 0.653 nan 8.190 nan 0.000 0.451 37 A N -0.087 122.638 122.820 -0.159 0.000 1.865 37 A HA -0.272 4.047 4.320 -0.000 0.000 0.217 37 A C 2.285 179.716 177.584 -0.256 0.000 1.191 37 A CA 2.195 54.092 52.037 -0.234 0.000 0.623 37 A CB -0.505 18.284 19.000 -0.352 0.000 0.826 37 A HN 0.542 nan 8.150 nan 0.000 0.444 38 K N -0.180 120.020 120.400 -0.333 0.000 1.987 38 K HA -0.160 4.160 4.320 -0.000 0.000 0.216 38 K C 2.392 178.914 176.600 -0.131 0.000 1.051 38 K CA 1.836 57.967 56.287 -0.260 0.000 0.942 38 K CB -0.443 31.915 32.500 -0.236 0.000 0.722 38 K HN 0.442 nan 8.250 nan 0.000 0.444 39 S N 1.492 117.142 115.700 -0.083 0.000 2.374 39 S HA -0.127 4.342 4.470 -0.000 0.000 0.227 39 S C 1.978 176.551 174.600 -0.045 0.000 1.037 39 S CA 1.188 59.364 58.200 -0.040 0.000 1.024 39 S CB -0.284 62.909 63.200 -0.011 0.000 0.861 39 S HN 0.210 nan 8.310 nan 0.000 0.456 40 L N 0.769 121.953 121.223 -0.065 0.000 2.156 40 L HA -0.065 4.274 4.340 -0.000 0.000 0.208 40 L C 2.780 179.609 176.870 -0.069 0.000 1.095 40 L CA 0.994 55.797 54.840 -0.061 0.000 0.770 40 L CB -0.783 41.232 42.059 -0.073 0.000 0.914 40 L HN 0.327 nan 8.230 nan 0.000 0.439 41 A N 0.455 123.218 122.820 -0.095 0.000 1.858 41 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 41 A C 2.586 180.133 177.584 -0.061 0.000 1.190 41 A CA 1.742 53.723 52.037 -0.093 0.000 0.617 41 A CB -0.750 18.170 19.000 -0.133 0.000 0.827 41 A HN 0.366 nan 8.150 nan 0.000 0.443 42 A N 0.014 122.801 122.820 -0.056 0.000 1.892 42 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 42 A C 2.439 180.011 177.584 -0.020 0.000 1.188 42 A CA 2.338 54.356 52.037 -0.031 0.000 0.631 42 A CB -1.182 17.804 19.000 -0.023 0.000 0.822 42 A HN 1.278 nan 8.150 nan 0.000 0.447 43 A N -1.822 120.986 122.820 -0.020 0.000 2.234 43 A HA 0.298 4.618 4.320 -0.000 0.000 0.216 43 A C 1.947 179.522 177.584 -0.014 0.000 1.167 43 A CA 1.552 53.583 52.037 -0.010 0.000 0.698 43 A CB -1.234 17.762 19.000 -0.007 0.000 0.779 43 A HN 2.135 nan 8.150 nan 0.000 0.475 44 G N -2.777 106.009 108.800 -0.023 0.000 2.132 44 G HA2 0.131 4.091 3.960 -0.000 0.000 0.234 44 G HA3 0.131 4.091 3.960 -0.000 0.000 0.234 44 G C 0.289 175.172 174.900 -0.029 0.000 0.989 44 G CA 0.341 45.428 45.100 -0.022 0.000 0.676 44 G HN 1.625 nan 8.290 nan 0.000 0.522 45 A N -0.312 122.484 122.820 -0.039 0.000 2.302 45 A HA 0.713 5.033 4.320 -0.000 0.000 0.285 45 A C 0.405 177.952 177.584 -0.062 0.000 1.105 45 A CA 0.067 52.076 52.037 -0.047 0.000 0.816 45 A CB 0.637 19.607 19.000 -0.050 0.000 1.067 45 A HN 0.516 nan 8.150 nan 0.000 0.489 46 E N 1.313 121.471 120.200 -0.071 0.000 2.259 46 E HA 0.266 4.616 4.350 -0.000 0.000 0.281 46 E C -0.775 175.753 176.600 -0.120 0.000 1.037 46 E CA -0.486 55.857 56.400 -0.096 0.000 0.854 46 E CB 0.356 29.985 29.700 -0.118 0.000 1.051 46 E HN 0.436 nan 8.360 nan 0.000 0.409 47 I N 6.822 127.323 120.570 -0.114 0.000 2.281 47 I HA 0.152 4.321 4.170 -0.000 0.000 0.293 47 I C 0.058 176.115 176.117 -0.100 0.000 1.085 47 I CA -0.155 61.075 61.300 -0.115 0.000 1.257 47 I CB -0.330 37.599 38.000 -0.118 0.000 1.430 47 I HN 0.440 nan 8.210 nan 0.000 0.489 48 L N 6.498 127.655 121.223 -0.110 0.000 2.325 48 L HA 0.660 4.999 4.340 -0.000 0.000 0.279 48 L C -0.049 176.683 176.870 -0.230 0.000 1.054 48 L CA -0.755 54.071 54.840 -0.023 0.000 0.804 48 L CB 1.901 44.029 42.059 0.114 0.000 1.200 48 L HN 0.182 nan 8.230 nan 0.000 0.436 49 V N 0.681 120.520 119.914 -0.125 0.000 2.914 49 V HA 0.684 4.804 4.120 -0.000 0.000 0.314 49 V C 0.154 176.108 176.094 -0.233 0.000 1.084 49 V CA -0.555 61.582 62.300 -0.272 0.000 0.963 49 V CB 2.158 33.966 31.823 -0.025 0.000 1.025 49 V HN 0.885 nan 8.190 nan 0.000 0.432 50 G N 1.033 109.623 108.800 -0.351 0.000 2.938 50 G HA2 0.537 4.497 3.960 -0.000 0.000 0.308 50 G HA3 0.537 4.497 3.960 -0.000 0.000 0.308 50 G C -0.369 174.549 174.900 0.030 0.000 1.422 50 G CA -0.266 44.823 45.100 -0.018 0.000 1.071 50 G HN 0.574 nan 8.290 nan 0.000 0.530 51 T N 1.750 116.348 114.554 0.073 0.000 2.909 51 T HA 0.210 4.560 4.350 -0.000 0.000 0.289 51 T C -0.422 174.383 174.700 0.175 0.000 1.005 51 T CA -0.223 61.892 62.100 0.024 0.000 1.084 51 T CB 1.363 70.201 68.868 -0.051 0.000 0.975 51 T HN 0.481 nan 8.240 nan 0.000 0.509 52 W N 4.822 126.094 121.300 -0.047 0.000 2.368 52 W HA 0.245 4.904 4.660 -0.001 0.000 0.316 52 W C 1.378 177.836 176.519 -0.103 0.000 1.375 52 W CA -1.068 56.261 57.345 -0.028 0.000 1.261 52 W CB -0.280 29.164 29.460 -0.027 0.000 1.298 52 W HN 0.514 nan 8.180 nan 0.000 0.539 53 V N 9.338 129.087 119.914 -0.275 0.000 2.280 53 V HA -0.336 3.784 4.120 -0.000 0.000 0.258 53 V C -0.812 174.877 176.094 -0.675 0.000 1.081 53 V CA 2.915 64.884 62.300 -0.552 0.000 1.070 53 V CB -1.083 30.201 31.823 -0.898 0.000 0.666 53 V HN 0.598 nan 8.190 nan 0.000 0.450 54 P HA -0.117 nan 4.420 nan 0.000 0.214 54 P C 1.656 178.710 177.300 -0.411 0.000 1.163 54 P CA 2.412 65.037 63.100 -0.792 0.000 0.883 54 P CB -0.348 30.659 31.700 -1.156 0.000 0.788 55 A N -1.192 121.446 122.820 -0.304 0.000 2.119 55 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 55 A C 1.967 179.565 177.584 0.024 0.000 1.152 55 A CA 0.583 52.583 52.037 -0.062 0.000 0.708 55 A CB -1.448 17.585 19.000 0.055 0.000 0.805 55 A HN 0.101 nan 8.150 nan 0.000 0.460 56 L N 1.273 122.477 121.223 -0.033 0.000 1.978 56 L HA -0.266 4.074 4.340 -0.000 0.000 0.218 56 L C 2.359 179.294 176.870 0.107 0.000 1.075 56 L CA 3.054 57.932 54.840 0.064 0.000 0.767 56 L CB -1.623 40.432 42.059 -0.006 0.000 0.890 56 L HN 0.536 nan 8.230 nan 0.000 0.434 57 N N -0.203 118.503 118.700 0.011 0.000 2.043 57 N HA -0.227 4.512 4.740 -0.000 0.000 0.193 57 N C 1.756 177.288 175.510 0.037 0.000 1.037 57 N CA 2.502 55.558 53.050 0.010 0.000 0.851 57 N CB -0.992 37.472 38.487 -0.038 0.000 1.027 57 N HN 0.470 nan 8.380 nan 0.000 0.422 58 I N -0.187 120.409 120.570 0.043 0.000 2.208 58 I HA -0.043 4.126 4.170 -0.000 0.000 0.245 58 I C 2.231 178.418 176.117 0.118 0.000 1.097 58 I CA 0.640 61.972 61.300 0.053 0.000 1.363 58 I CB -0.906 37.127 38.000 0.056 0.000 1.051 58 I HN 0.469 nan 8.210 nan 0.000 0.413 59 F N 1.686 121.675 119.950 0.065 0.000 2.069 59 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 59 F C 2.528 178.417 175.800 0.148 0.000 1.113 59 F CA 1.964 60.059 58.000 0.159 0.000 1.214 59 F CB -0.555 38.535 39.000 0.149 0.000 0.978 59 F HN 0.108 nan 8.300 nan 0.000 0.474 60 E N -0.644 119.593 120.200 0.061 0.000 2.038 60 E HA -0.228 4.121 4.350 -0.000 0.000 0.195 60 E C 2.190 178.719 176.600 -0.119 0.000 1.000 60 E CA 2.073 58.439 56.400 -0.057 0.000 0.803 60 E CB -0.465 29.260 29.700 0.042 0.000 0.750 60 E HN 0.377 nan 8.360 nan 0.000 0.448 61 T N 0.269 114.777 114.554 -0.077 0.000 2.665 61 T HA -0.166 4.183 4.350 -0.000 0.000 0.268 61 T C 2.101 176.690 174.700 -0.184 0.000 1.035 61 T CA 1.528 63.567 62.100 -0.101 0.000 1.151 61 T CB -0.241 68.586 68.868 -0.068 0.000 0.862 61 T HN 0.054 nan 8.240 nan 0.000 0.438 62 S N 0.813 116.369 115.700 -0.240 0.000 2.382 62 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 62 S C 1.398 175.597 174.600 -0.669 0.000 1.027 62 S CA 0.553 58.470 58.200 -0.471 0.000 0.991 62 S CB -0.262 62.628 63.200 -0.516 0.000 0.823 62 S HN 0.246 nan 8.310 nan 0.000 0.469 63 L N 1.116 122.046 121.223 -0.488 0.000 2.737 63 L HA 0.335 4.675 4.340 -0.000 0.000 0.236 63 L C 1.581 178.341 176.870 -0.184 0.000 1.219 63 L CA 0.284 54.937 54.840 -0.312 0.000 1.021 63 L CB -0.697 41.186 42.059 -0.292 0.000 1.291 63 L HN 0.199 nan 8.230 nan 0.000 0.470 64 R N -1.134 119.251 120.500 -0.191 0.000 2.493 64 R HA 0.372 4.712 4.340 -0.000 0.000 0.177 64 R C 2.113 178.342 176.300 -0.119 0.000 0.861 64 R CA 0.571 56.601 56.100 -0.117 0.000 1.083 64 R CB -0.727 29.515 30.300 -0.096 0.000 1.328 64 R HN 0.248 nan 8.270 nan 0.000 0.615 65 R N 0.886 121.292 120.500 -0.157 0.000 2.357 65 R HA 0.285 4.625 4.340 -0.000 0.000 0.202 65 R C 1.821 178.030 176.300 -0.151 0.000 1.047 65 R CA 1.143 57.157 56.100 -0.142 0.000 1.034 65 R CB -1.553 28.655 30.300 -0.153 0.000 0.875 65 R HN 1.966 nan 8.270 nan 0.000 0.473 66 G N -2.254 106.444 108.800 -0.170 0.000 2.246 66 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.273 66 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.273 66 G C 1.110 175.892 174.900 -0.198 0.000 1.055 66 G CA 1.103 46.122 45.100 -0.135 0.000 0.851 66 G HN 1.146 nan 8.290 nan 0.000 0.500 67 K N -0.852 119.302 120.400 -0.409 0.000 2.288 67 K HA 0.423 4.743 4.320 -0.000 0.000 0.201 67 K C 1.094 177.464 176.600 -0.384 0.000 1.048 67 K CA 1.585 57.565 56.287 -0.512 0.000 0.956 67 K CB -0.272 31.724 32.500 -0.840 0.000 0.746 67 K HN 0.814 nan 8.250 nan 0.000 0.461 68 F N 0.327 120.216 119.950 -0.101 0.000 2.818 68 F HA 0.306 4.833 4.527 -0.000 0.000 0.369 68 F C 0.514 176.338 175.800 0.040 0.000 1.327 68 F CA -1.639 56.298 58.000 -0.106 0.000 1.211 68 F CB 0.450 39.291 39.000 -0.265 0.000 1.036 68 F HN -0.006 nan 8.300 nan 0.000 0.510 69 D N 0.711 121.192 120.400 0.135 0.000 2.137 69 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 69 D C 2.423 178.806 176.300 0.139 0.000 0.970 69 D CA 1.609 55.682 54.000 0.122 0.000 0.837 69 D CB 0.056 40.884 40.800 0.047 0.000 0.981 69 D HN 0.407 nan 8.370 nan 0.000 0.475 70 Q N 0.297 120.165 119.800 0.113 0.000 2.170 70 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 70 Q C 2.201 178.294 176.000 0.156 0.000 0.976 70 Q CA 1.725 57.590 55.803 0.104 0.000 0.858 70 Q CB -0.968 27.814 28.738 0.072 0.000 0.907 70 Q HN 0.214 nan 8.270 nan 0.000 0.433 71 S N -0.175 115.656 115.700 0.218 0.000 2.561 71 S HA 0.046 4.516 4.470 -0.000 0.000 0.225 71 S C 1.627 176.549 174.600 0.536 0.000 0.977 71 S CA 0.520 58.921 58.200 0.335 0.000 0.926 71 S CB 0.006 63.321 63.200 0.190 0.000 0.769 71 S HN 0.672 nan 8.310 nan 0.000 0.533 72 R N 0.623 121.358 120.500 0.391 0.000 2.334 72 R HA 0.190 4.530 4.340 -0.000 0.000 0.216 72 R C -0.235 176.139 176.300 0.124 0.000 0.905 72 R CA -0.029 56.234 56.100 0.272 0.000 1.064 72 R CB 0.300 30.755 30.300 0.259 0.000 1.046 72 R HN 0.158 nan 8.270 nan 0.000 0.508 73 V N 2.821 122.810 119.914 0.125 0.000 2.529 73 V HA 0.036 4.156 4.120 -0.000 0.000 0.292 73 V C 0.618 176.744 176.094 0.053 0.000 1.028 73 V CA 0.351 62.696 62.300 0.075 0.000 1.074 73 V CB 0.547 32.414 31.823 0.073 0.000 0.958 73 V HN 0.156 nan 8.190 nan 0.000 0.481 74 L N 7.112 128.351 121.223 0.028 0.000 2.448 74 L HA 0.362 4.702 4.340 -0.000 0.000 0.258 74 L C -1.091 175.791 176.870 0.019 0.000 1.104 74 L CA -1.674 53.174 54.840 0.013 0.000 0.800 74 L CB 0.437 42.493 42.059 -0.004 0.000 1.241 74 L HN 0.355 nan 8.230 nan 0.000 0.472 75 P HA -0.170 nan 4.420 nan 0.000 0.216 75 P C 0.166 177.474 177.300 0.014 0.000 1.150 75 P CA 1.331 64.441 63.100 0.015 0.000 0.843 75 P CB -0.142 31.565 31.700 0.011 0.000 0.787 76 D N -1.316 119.090 120.400 0.010 0.000 2.870 76 D HA 0.122 4.762 4.640 -0.000 0.000 0.241 76 D C 1.271 177.578 176.300 0.012 0.000 1.234 76 D CA 0.021 54.027 54.000 0.010 0.000 0.844 76 D CB -1.277 39.527 40.800 0.007 0.000 1.051 76 D HN 0.168 nan 8.370 nan 0.000 0.469 77 G N 0.204 109.015 108.800 0.017 0.000 2.249 77 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.273 77 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.273 77 G C 0.538 175.450 174.900 0.020 0.000 0.995 77 G CA 0.922 46.034 45.100 0.020 0.000 0.671 77 G HN 0.654 nan 8.290 nan 0.000 0.539 78 S N -0.973 114.736 115.700 0.015 0.000 2.600 78 S HA 0.637 5.107 4.470 -0.000 0.000 0.265 78 S C 0.536 175.146 174.600 0.017 0.000 1.325 78 S CA -0.554 57.653 58.200 0.012 0.000 1.002 78 S CB 0.523 63.726 63.200 0.005 0.000 0.921 78 S HN 0.433 nan 8.310 nan 0.000 0.554 79 L N 3.438 124.671 121.223 0.017 0.000 2.325 79 L HA 0.471 4.811 4.340 -0.000 0.000 0.278 79 L C 0.477 177.351 176.870 0.006 0.000 1.023 79 L CA -0.658 54.197 54.840 0.025 0.000 0.811 79 L CB 1.682 43.763 42.059 0.036 0.000 1.249 79 L HN 0.763 nan 8.230 nan 0.000 0.431 80 M N 2.482 122.080 119.600 -0.003 0.000 2.207 80 M HA 0.293 4.773 4.480 -0.000 0.000 0.311 80 M C -0.016 176.269 176.300 -0.025 0.000 1.127 80 M CA 0.429 55.697 55.300 -0.054 0.000 1.181 80 M CB 0.769 33.278 32.600 -0.150 0.000 1.409 80 M HN 0.699 nan 8.290 nan 0.000 0.461 81 E N 4.590 124.763 120.200 -0.044 0.000 2.528 81 E HA 0.409 4.759 4.350 -0.000 0.000 0.277 81 E C -1.313 175.272 176.600 -0.027 0.000 0.980 81 E CA -0.421 55.969 56.400 -0.016 0.000 0.796 81 E CB 0.337 30.033 29.700 -0.006 0.000 1.427 81 E HN 0.806 nan 8.360 nan 0.000 0.394 82 I N 2.938 123.503 120.570 -0.008 0.000 2.471 82 I HA 0.081 4.251 4.170 -0.000 0.000 0.294 82 I C 1.822 177.958 176.117 0.030 0.000 1.123 82 I CA -0.248 61.057 61.300 0.008 0.000 1.336 82 I CB 1.111 39.155 38.000 0.073 0.000 1.430 82 I HN 0.554 nan 8.210 nan 0.000 0.533 83 K N 5.973 126.376 120.400 0.005 0.000 2.015 83 K HA -0.126 4.193 4.320 -0.000 0.000 0.216 83 K C 0.457 177.111 176.600 0.090 0.000 1.052 83 K CA 1.851 58.154 56.287 0.027 0.000 0.937 83 K CB 0.064 32.525 32.500 -0.066 0.000 0.719 83 K HN 0.556 nan 8.250 nan 0.000 0.446 84 K N -1.004 119.460 120.400 0.106 0.000 2.557 84 K HA 0.304 4.624 4.320 -0.000 0.000 0.257 84 K C -1.754 174.899 176.600 0.089 0.000 0.933 84 K CA -0.698 55.647 56.287 0.097 0.000 0.820 84 K CB 1.890 34.485 32.500 0.159 0.000 1.330 84 K HN -0.121 nan 8.250 nan 0.000 0.432 85 V N 4.165 124.097 119.914 0.030 0.000 2.472 85 V HA 0.427 4.546 4.120 -0.000 0.000 0.290 85 V C -0.998 175.094 176.094 -0.004 0.000 1.037 85 V CA -0.536 61.839 62.300 0.125 0.000 0.908 85 V CB 0.814 32.778 31.823 0.235 0.000 0.985 85 V HN 0.601 nan 8.190 nan 0.000 0.454 86 Y N 5.085 125.499 120.300 0.190 0.000 2.377 86 Y HA 0.530 5.080 4.550 -0.000 0.000 0.339 86 Y C -2.229 173.811 175.900 0.232 0.000 1.011 86 Y CA -2.922 55.331 58.100 0.254 0.000 1.093 86 Y CB 1.827 40.523 38.460 0.394 0.000 1.201 86 Y HN 0.444 nan 8.280 nan 0.000 0.455 87 P HA 0.337 nan 4.420 nan 0.000 0.280 87 P C -1.194 176.358 177.300 0.419 0.000 1.244 87 P CA -0.270 63.008 63.100 0.297 0.000 0.784 87 P CB 1.391 33.250 31.700 0.264 0.000 0.913 88 L N 2.026 123.476 121.223 0.378 0.000 2.549 88 L HA 0.614 4.954 4.340 -0.000 0.000 0.259 88 L C -1.909 175.293 176.870 0.555 0.000 0.934 88 L CA -0.308 54.822 54.840 0.485 0.000 0.865 88 L CB 2.506 44.840 42.059 0.457 0.000 1.352 88 L HN 0.166 nan 8.230 nan 0.000 0.410 89 D N 3.310 124.115 120.400 0.676 0.000 2.473 89 D HA 0.490 5.129 4.640 -0.000 0.000 0.253 89 D C 0.370 177.013 176.300 0.572 0.000 1.233 89 D CA 0.186 54.646 54.000 0.766 0.000 0.908 89 D CB 2.336 43.771 40.800 1.059 0.000 1.170 89 D HN 0.758 nan 8.370 nan 0.000 0.558 90 A N 3.015 126.042 122.820 0.344 0.000 2.168 90 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 90 A C 1.937 179.615 177.584 0.157 0.000 1.152 90 A CA 0.566 52.742 52.037 0.232 0.000 0.716 90 A CB 0.095 19.189 19.000 0.157 0.000 0.794 90 A HN 0.466 nan 8.150 nan 0.000 0.465 91 V N -1.087 118.863 119.914 0.061 0.000 2.809 91 V HA -0.042 4.078 4.120 -0.000 0.000 0.256 91 V C 0.280 176.127 176.094 -0.413 0.000 1.080 91 V CA 0.861 63.017 62.300 -0.241 0.000 1.102 91 V CB -0.786 30.716 31.823 -0.535 0.000 0.705 91 V HN 0.496 nan 8.190 nan 0.000 0.475 92 F N 0.246 120.347 119.950 0.252 0.000 2.411 92 F HA 0.434 4.960 4.527 -0.001 0.000 0.352 92 F C 0.919 176.795 175.800 0.126 0.000 1.123 92 F CA -0.917 57.200 58.000 0.195 0.000 1.044 92 F CB 0.949 40.096 39.000 0.245 0.000 1.135 92 F HN -0.064 nan 8.300 nan 0.000 0.461 93 D N 1.044 121.578 120.400 0.223 0.000 2.327 93 D HA 0.001 4.641 4.640 -0.000 0.000 0.205 93 D C 0.130 176.412 176.300 -0.029 0.000 0.989 93 D CA 0.668 54.729 54.000 0.101 0.000 0.873 93 D CB 0.233 41.183 40.800 0.250 0.000 0.955 93 D HN 0.691 nan 8.370 nan 0.000 0.515 94 N N -0.903 117.812 118.700 0.025 0.000 2.823 94 N HA 0.122 4.862 4.740 -0.000 0.000 0.251 94 N C -2.776 172.687 175.510 -0.079 0.000 1.392 94 N CA -1.187 51.831 53.050 -0.053 0.000 0.864 94 N CB 2.550 41.028 38.487 -0.016 0.000 1.481 94 N HN -0.400 nan 8.380 nan 0.000 0.508 95 P HA -0.084 nan 4.420 nan 0.000 0.215 95 P C 1.443 178.680 177.300 -0.105 0.000 1.157 95 P CA 2.491 65.470 63.100 -0.202 0.000 0.868 95 P CB -0.302 31.284 31.700 -0.190 0.000 0.788 96 E N 0.283 120.447 120.200 -0.059 0.000 2.401 96 E HA -0.253 4.097 4.350 -0.000 0.000 0.204 96 E C 1.383 177.988 176.600 0.007 0.000 1.036 96 E CA 1.834 58.220 56.400 -0.023 0.000 0.856 96 E CB -1.650 28.044 29.700 -0.011 0.000 0.770 96 E HN 0.360 nan 8.360 nan 0.000 0.527 97 D N -1.109 119.311 120.400 0.033 0.000 2.360 97 D HA 0.132 4.771 4.640 -0.000 0.000 0.210 97 D C 0.359 176.750 176.300 0.152 0.000 1.047 97 D CA -0.028 54.038 54.000 0.109 0.000 0.854 97 D CB 0.439 41.344 40.800 0.176 0.000 0.936 97 D HN 0.353 nan 8.370 nan 0.000 0.514 98 V N 3.422 123.350 119.914 0.022 0.000 2.740 98 V HA 0.134 4.254 4.120 -0.000 0.000 0.303 98 V C -1.865 174.212 176.094 -0.028 0.000 1.054 98 V CA -0.986 61.258 62.300 -0.094 0.000 1.106 98 V CB 0.583 32.268 31.823 -0.230 0.000 0.957 98 V HN 0.056 nan 8.190 nan 0.000 0.486 99 P HA 0.342 nan 4.420 nan 0.000 0.287 99 P C 0.477 177.755 177.300 -0.036 0.000 1.294 99 P CA -0.112 62.990 63.100 0.003 0.000 0.776 99 P CB 1.226 32.951 31.700 0.042 0.000 0.889 100 E N 2.387 122.579 120.200 -0.014 0.000 2.284 100 E HA -0.253 4.097 4.350 -0.000 0.000 0.200 100 E C 1.612 178.200 176.600 -0.020 0.000 1.008 100 E CA 2.401 58.794 56.400 -0.013 0.000 0.829 100 E CB -1.609 28.089 29.700 -0.002 0.000 0.744 100 E HN 0.679 nan 8.360 nan 0.000 0.491 101 D N -0.114 120.272 120.400 -0.023 0.000 2.084 101 D HA -0.043 4.596 4.640 -0.000 0.000 0.194 101 D C 2.306 178.565 176.300 -0.068 0.000 0.990 101 D CA 1.953 55.937 54.000 -0.028 0.000 0.826 101 D CB -0.715 40.078 40.800 -0.012 0.000 0.971 101 D HN 0.362 nan 8.370 nan 0.000 0.453 102 V N 1.068 120.901 119.914 -0.134 0.000 2.307 102 V HA -0.040 4.080 4.120 -0.000 0.000 0.245 102 V C 3.295 179.253 176.094 -0.226 0.000 1.045 102 V CA 2.698 64.811 62.300 -0.311 0.000 1.024 102 V CB -0.857 30.633 31.823 -0.556 0.000 0.651 102 V HN 0.793 nan 8.190 nan 0.000 0.449 103 K N 0.377 120.724 120.400 -0.088 0.000 2.074 103 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 103 K C 2.224 178.852 176.600 0.045 0.000 1.048 103 K CA 2.131 58.450 56.287 0.054 0.000 0.926 103 K CB -1.413 31.118 32.500 0.051 0.000 0.713 103 K HN 0.636 nan 8.250 nan 0.000 0.444 104 A N 1.453 124.277 122.820 0.007 0.000 2.019 104 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 104 A C 1.431 179.024 177.584 0.015 0.000 1.164 104 A CA 0.789 52.833 52.037 0.012 0.000 0.644 104 A CB -0.606 18.395 19.000 0.002 0.000 0.805 104 A HN 0.658 nan 8.150 nan 0.000 0.449 105 N N 0.375 119.079 118.700 0.006 0.000 2.411 105 N HA 0.082 4.822 4.740 -0.000 0.000 0.261 105 N C 1.308 176.847 175.510 0.047 0.000 1.248 105 N CA 0.925 53.997 53.050 0.036 0.000 0.885 105 N CB 0.831 39.366 38.487 0.079 0.000 1.062 105 N HN 0.408 nan 8.380 nan 0.000 0.471 106 K N 4.367 124.774 120.400 0.012 0.000 2.032 106 K HA -0.313 4.007 4.320 -0.000 0.000 0.218 106 K C 2.441 179.010 176.600 -0.052 0.000 1.054 106 K CA 3.067 59.346 56.287 -0.014 0.000 0.941 106 K CB -1.626 30.859 32.500 -0.025 0.000 0.720 106 K HN 0.835 nan 8.250 nan 0.000 0.449 107 R N -0.220 120.212 120.500 -0.113 0.000 2.097 107 R HA -0.158 4.181 4.340 -0.000 0.000 0.236 107 R C 2.492 178.597 176.300 -0.326 0.000 1.135 107 R CA 2.331 58.277 56.100 -0.256 0.000 0.934 107 R CB -1.790 28.256 30.300 -0.423 0.000 0.846 107 R HN 0.818 nan 8.270 nan 0.000 0.431 108 Y N 0.659 120.741 120.300 -0.363 0.000 2.315 108 Y HA -0.052 4.498 4.550 -0.000 0.000 0.288 108 Y C 3.029 178.822 175.900 -0.177 0.000 1.154 108 Y CA 1.241 59.033 58.100 -0.514 0.000 1.229 108 Y CB -0.339 37.775 38.460 -0.576 0.000 0.980 108 Y HN 0.493 nan 8.280 nan 0.000 0.540 109 A N -0.091 122.758 122.820 0.048 0.000 1.874 109 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 109 A C 2.527 180.146 177.584 0.060 0.000 1.189 109 A CA 1.269 53.356 52.037 0.083 0.000 0.615 109 A CB -1.384 17.646 19.000 0.049 0.000 0.830 109 A HN 0.416 nan 8.150 nan 0.000 0.443 110 G N -0.735 108.062 108.800 -0.005 0.000 2.527 110 G HA2 0.147 4.107 3.960 -0.000 0.000 0.219 110 G HA3 0.147 4.107 3.960 -0.000 0.000 0.219 110 G C 0.617 175.518 174.900 0.002 0.000 1.117 110 G CA 1.203 46.293 45.100 -0.016 0.000 0.759 110 G HN 0.490 nan 8.290 nan 0.000 0.556 111 S N -1.737 113.974 115.700 0.017 0.000 2.667 111 S HA 0.768 5.237 4.470 -0.000 0.000 0.292 111 S C -0.398 174.414 174.600 0.353 0.000 1.126 111 S CA -0.138 58.125 58.200 0.105 0.000 0.881 111 S CB 2.232 65.425 63.200 -0.011 0.000 1.132 111 S HN 0.671 nan 8.310 nan 0.000 0.492 112 S N 0.215 116.198 115.700 0.471 0.000 2.656 112 S HA 0.629 5.099 4.470 -0.000 0.000 0.273 112 S C -0.535 174.219 174.600 0.256 0.000 1.168 112 S CA -0.794 57.672 58.200 0.443 0.000 0.817 112 S CB 0.886 64.203 63.200 0.195 0.000 1.146 112 S HN 0.703 nan 8.310 nan 0.000 0.475 113 N N 0.492 119.134 118.700 -0.096 0.000 2.741 113 N HA -0.105 4.635 4.740 -0.000 0.000 0.251 113 N C 0.436 175.939 175.510 -0.011 0.000 1.112 113 N CA 1.359 54.358 53.050 -0.085 0.000 0.750 113 N CB -1.150 37.376 38.487 0.065 0.000 1.119 113 N HN 0.922 nan 8.380 nan 0.000 0.561 114 W N 0.529 121.904 121.300 0.124 0.000 3.047 114 W HA 0.092 4.752 4.660 -0.001 0.000 0.250 114 W C 0.822 177.454 176.519 0.188 0.000 1.314 114 W CA 0.702 58.151 57.345 0.173 0.000 1.540 114 W CB -1.206 28.360 29.460 0.176 0.000 1.127 114 W HN 0.042 nan 8.180 nan 0.000 0.679 115 T N -1.116 113.366 114.554 -0.121 0.000 2.900 115 T HA 0.157 4.506 4.350 -0.000 0.000 0.307 115 T C 1.219 175.913 174.700 -0.011 0.000 1.065 115 T CA -0.287 61.809 62.100 -0.007 0.000 1.105 115 T CB 2.473 71.233 68.868 -0.180 0.000 0.979 115 T HN -0.110 nan 8.240 nan 0.000 0.544 116 V N 1.786 121.685 119.914 -0.025 0.000 2.407 116 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 116 V C 3.009 178.776 176.094 -0.546 0.000 1.055 116 V CA 1.938 64.126 62.300 -0.188 0.000 1.049 116 V CB -1.018 30.729 31.823 -0.127 0.000 0.662 116 V HN 0.966 nan 8.190 nan 0.000 0.455 117 Q N 0.285 119.690 119.800 -0.660 0.000 2.079 117 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 117 Q C 2.192 177.990 176.000 -0.338 0.000 0.974 117 Q CA 1.845 57.270 55.803 -0.630 0.000 0.840 117 Q CB -0.030 28.490 28.738 -0.362 0.000 0.898 117 Q HN 0.739 nan 8.270 nan 0.000 0.430 118 E N 0.014 120.070 120.200 -0.241 0.000 2.047 118 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 118 E C 1.959 178.498 176.600 -0.102 0.000 0.987 118 E CA 0.918 57.225 56.400 -0.156 0.000 0.799 118 E CB -0.095 29.507 29.700 -0.164 0.000 0.752 118 E HN 0.432 nan 8.360 nan 0.000 0.449 119 A N 1.536 124.310 122.820 -0.077 0.000 1.883 119 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 119 A C 2.387 179.869 177.584 -0.170 0.000 1.186 119 A CA 1.911 53.963 52.037 0.024 0.000 0.624 119 A CB -0.690 18.403 19.000 0.156 0.000 0.822 119 A HN 0.307 nan 8.150 nan 0.000 0.444 120 A N -0.610 121.901 122.820 -0.516 0.000 1.969 120 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 120 A C 1.945 179.327 177.584 -0.336 0.000 1.169 120 A CA 2.049 53.596 52.037 -0.816 0.000 0.635 120 A CB -0.410 17.739 19.000 -1.418 0.000 0.810 120 A HN 0.549 nan 8.150 nan 0.000 0.445 121 E N -0.193 119.876 120.200 -0.219 0.000 2.106 121 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 121 E C 1.826 178.414 176.600 -0.021 0.000 0.984 121 E CA 1.660 57.997 56.400 -0.105 0.000 0.806 121 E CB -0.732 28.917 29.700 -0.085 0.000 0.750 121 E HN 0.581 nan 8.360 nan 0.000 0.458 122 C N -0.708 118.615 119.300 0.037 0.000 2.436 122 C HA -0.069 4.390 4.460 -0.000 0.000 0.277 122 C C 2.655 177.776 174.990 0.219 0.000 1.241 122 C CA 0.748 59.863 59.018 0.162 0.000 1.721 122 C CB -0.966 26.974 27.740 0.333 0.000 2.043 122 C HN 0.287 nan 8.230 nan 0.000 0.472 123 V N 1.091 121.125 119.914 0.201 0.000 2.282 123 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 123 V C 2.699 178.935 176.094 0.237 0.000 1.057 123 V CA 2.287 64.762 62.300 0.291 0.000 1.032 123 V CB -0.793 31.111 31.823 0.135 0.000 0.645 123 V HN 0.514 nan 8.190 nan 0.000 0.447 124 R N -0.298 120.264 120.500 0.104 0.000 2.097 124 R HA -0.274 4.065 4.340 -0.000 0.000 0.236 124 R C 2.542 178.871 176.300 0.049 0.000 1.135 124 R CA 2.667 58.808 56.100 0.068 0.000 0.934 124 R CB -0.523 29.780 30.300 0.004 0.000 0.846 124 R HN 0.636 nan 8.270 nan 0.000 0.431 125 Q N 1.072 120.883 119.800 0.018 0.000 1.993 125 Q HA -0.194 4.145 4.340 -0.000 0.000 0.202 125 Q C 1.831 177.778 176.000 -0.088 0.000 0.984 125 Q CA 1.965 57.756 55.803 -0.020 0.000 0.837 125 Q CB -0.909 27.819 28.738 -0.018 0.000 0.902 125 Q HN 0.501 nan 8.270 nan 0.000 0.423 126 D N -0.784 119.520 120.400 -0.160 0.000 2.123 126 D HA -0.071 4.569 4.640 -0.000 0.000 0.196 126 D C 0.855 176.643 176.300 -0.854 0.000 0.992 126 D CA 1.470 55.127 54.000 -0.571 0.000 0.833 126 D CB -0.050 40.333 40.800 -0.696 0.000 0.954 126 D HN 0.618 nan 8.370 nan 0.000 0.455 127 F N -2.088 117.939 119.950 0.129 0.000 2.838 127 F HA 0.343 4.870 4.527 -0.000 0.000 0.329 127 F C 1.851 177.697 175.800 0.076 0.000 1.116 127 F CA 0.032 58.096 58.000 0.106 0.000 1.155 127 F CB 0.452 39.533 39.000 0.135 0.000 1.106 127 F HN -0.027 nan 8.300 nan 0.000 0.538 128 G N 1.189 110.087 108.800 0.164 0.000 2.391 128 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 128 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 128 G C 0.463 175.433 174.900 0.117 0.000 0.985 128 G CA 1.153 46.319 45.100 0.110 0.000 0.638 128 G HN 0.930 nan 8.290 nan 0.000 0.562 129 S N -1.300 114.499 115.700 0.165 0.000 2.643 129 S HA 0.728 5.198 4.470 -0.000 0.000 0.266 129 S C -0.799 173.872 174.600 0.119 0.000 1.130 129 S CA -0.173 58.100 58.200 0.123 0.000 0.817 129 S CB 1.529 64.777 63.200 0.081 0.000 1.107 129 S HN 1.836 nan 8.310 nan 0.000 0.471 130 I N -2.104 118.513 120.570 0.078 0.000 3.279 130 I HA 0.680 4.850 4.170 -0.000 0.000 0.315 130 I C -1.106 175.025 176.117 0.023 0.000 1.225 130 I CA -1.081 60.245 61.300 0.044 0.000 0.947 130 I CB 2.034 40.053 38.000 0.032 0.000 1.293 130 I HN 0.610 nan 8.210 nan 0.000 0.468 131 D N 1.258 121.661 120.400 0.003 0.000 2.399 131 D HA 0.404 5.044 4.640 -0.000 0.000 0.269 131 D C -0.035 176.258 176.300 -0.013 0.000 1.105 131 D CA 0.729 54.726 54.000 -0.004 0.000 0.844 131 D CB 2.000 42.795 40.800 -0.008 0.000 1.372 131 D HN 0.360 nan 8.370 nan 0.000 0.517 132 I N 1.702 122.261 120.570 -0.018 0.000 2.569 132 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 132 I C -1.494 174.609 176.117 -0.024 0.000 1.088 132 I CA -0.920 60.368 61.300 -0.021 0.000 1.047 132 I CB 3.084 41.066 38.000 -0.028 0.000 1.237 132 I HN -0.220 nan 8.210 nan 0.000 0.421 133 L N 8.181 129.399 121.223 -0.009 0.000 2.325 133 L HA 0.659 4.999 4.340 -0.000 0.000 0.281 133 L C -1.056 175.855 176.870 0.067 0.000 1.004 133 L CA -0.474 54.363 54.840 -0.005 0.000 0.823 133 L CB 1.707 43.742 42.059 -0.040 0.000 1.236 133 L HN 0.301 nan 8.230 nan 0.000 0.415 134 V N 4.915 124.866 119.914 0.063 0.000 2.417 134 V HA 0.417 4.536 4.120 -0.000 0.000 0.291 134 V C -0.550 175.635 176.094 0.152 0.000 1.024 134 V CA -0.657 61.694 62.300 0.085 0.000 0.861 134 V CB 1.293 33.122 31.823 0.009 0.000 0.985 134 V HN 0.769 nan 8.190 nan 0.000 0.436 135 H N 3.741 122.880 119.070 0.114 0.000 2.511 135 H HA 0.522 5.077 4.556 -0.000 0.000 0.328 135 H C -0.468 174.902 175.328 0.071 0.000 1.044 135 H CA -0.090 56.044 56.048 0.143 0.000 1.212 135 H CB 1.971 31.921 29.762 0.313 0.000 1.428 135 H HN 0.643 nan 8.280 nan 0.000 0.483 136 S N 6.508 122.143 115.700 -0.108 0.000 2.701 136 S HA 0.283 4.752 4.470 -0.000 0.000 0.228 136 S C -1.242 173.288 174.600 -0.117 0.000 0.948 136 S CA -0.592 57.592 58.200 -0.027 0.000 1.129 136 S CB -0.931 62.278 63.200 0.015 0.000 1.352 136 S HN 0.589 nan 8.310 nan 0.000 0.446 137 L N -1.809 119.244 121.223 -0.282 0.000 2.357 137 L HA 1.152 5.492 4.340 -0.000 0.000 0.244 137 L C -0.055 176.729 176.870 -0.144 0.000 1.115 137 L CA -0.530 54.163 54.840 -0.244 0.000 0.919 137 L CB 0.768 42.629 42.059 -0.330 0.000 1.532 137 L HN 0.234 nan 8.230 nan 0.000 0.416 138 G N -0.123 108.591 108.800 -0.143 0.000 2.347 138 G HA2 0.406 4.366 3.960 -0.000 0.000 0.303 138 G HA3 0.406 4.366 3.960 -0.000 0.000 0.303 138 G C -2.450 172.362 174.900 -0.147 0.000 1.481 138 G CA -0.423 44.638 45.100 -0.066 0.000 0.914 138 G HN 0.980 nan 8.290 nan 0.000 0.638 139 N N -1.297 117.324 118.700 -0.131 0.000 2.405 139 N HA 0.711 5.450 4.740 -0.000 0.000 0.274 139 N C -0.461 174.985 175.510 -0.108 0.000 1.170 139 N CA 0.287 53.247 53.050 -0.151 0.000 0.848 139 N CB 2.179 40.531 38.487 -0.226 0.000 1.629 139 N HN 1.323 nan 8.380 nan 0.000 0.481 140 G N 2.179 110.919 108.800 -0.101 0.000 2.845 140 G HA2 0.379 4.339 3.960 -0.000 0.000 0.282 140 G HA3 0.379 4.339 3.960 -0.000 0.000 0.282 140 G C -2.183 172.674 174.900 -0.072 0.000 1.546 140 G CA -1.154 43.883 45.100 -0.105 0.000 1.089 140 G HN 0.493 nan 8.290 nan 0.000 0.558 141 P HA -0.033 nan 4.420 nan 0.000 0.220 141 P C 0.949 178.235 177.300 -0.022 0.000 1.148 141 P CA 1.102 64.195 63.100 -0.012 0.000 0.803 141 P CB 0.578 32.283 31.700 0.008 0.000 0.782 142 E N -1.447 118.728 120.200 -0.042 0.000 2.558 142 E HA 0.069 4.419 4.350 -0.000 0.000 0.205 142 E C 1.355 177.904 176.600 -0.085 0.000 1.006 142 E CA -0.229 56.144 56.400 -0.045 0.000 0.961 142 E CB -0.095 29.594 29.700 -0.018 0.000 1.044 142 E HN -0.125 nan 8.360 nan 0.000 0.465 143 V N 0.584 120.421 119.914 -0.128 0.000 2.428 143 V HA -0.341 3.779 4.120 -0.000 0.000 0.255 143 V C 1.758 177.747 176.094 -0.174 0.000 1.080 143 V CA 2.318 64.495 62.300 -0.205 0.000 1.083 143 V CB -0.143 31.542 31.823 -0.231 0.000 0.665 143 V HN 0.292 nan 8.190 nan 0.000 0.461 144 S N -1.407 114.227 115.700 -0.110 0.000 2.489 144 S HA 0.055 4.525 4.470 -0.000 0.000 0.228 144 S C 0.820 175.382 174.600 -0.064 0.000 0.995 144 S CA 0.443 58.592 58.200 -0.085 0.000 0.934 144 S CB -0.075 63.096 63.200 -0.049 0.000 0.771 144 S HN 0.600 nan 8.310 nan 0.000 0.522 145 K N 1.876 122.242 120.400 -0.056 0.000 2.143 145 K HA 0.346 4.666 4.320 -0.000 0.000 0.272 145 K C -2.853 173.729 176.600 -0.030 0.000 1.001 145 K CA -2.213 54.054 56.287 -0.033 0.000 0.915 145 K CB 0.772 33.263 32.500 -0.017 0.000 1.047 145 K HN -0.068 nan 8.250 nan 0.000 0.458 146 P HA 0.038 nan 4.420 nan 0.000 0.272 146 P C 0.790 178.099 177.300 0.014 0.000 1.230 146 P CA -0.091 63.008 63.100 -0.002 0.000 0.788 146 P CB 0.587 32.289 31.700 0.004 0.000 0.949 147 L N 1.131 122.373 121.223 0.031 0.000 2.081 147 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 147 L C 2.174 179.062 176.870 0.030 0.000 1.080 147 L CA 1.591 56.466 54.840 0.058 0.000 0.754 147 L CB -0.528 41.577 42.059 0.078 0.000 0.893 147 L HN 0.436 nan 8.230 nan 0.000 0.433 148 L N -0.755 120.479 121.223 0.017 0.000 2.131 148 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 148 L C 1.905 178.775 176.870 0.001 0.000 1.092 148 L CA 1.275 56.118 54.840 0.005 0.000 0.759 148 L CB -0.262 41.800 42.059 0.005 0.000 0.903 148 L HN 0.305 nan 8.230 nan 0.000 0.435 149 E N -1.335 118.868 120.200 0.005 0.000 2.474 149 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 149 E C -0.003 176.601 176.600 0.006 0.000 1.039 149 E CA -0.144 56.257 56.400 0.002 0.000 0.881 149 E CB 0.418 30.119 29.700 0.001 0.000 0.970 149 E HN 0.267 nan 8.360 nan 0.000 0.486 150 T N 1.449 116.011 114.554 0.015 0.000 2.780 150 T HA 0.139 4.489 4.350 -0.000 0.000 0.294 150 T C 0.256 174.970 174.700 0.023 0.000 0.949 150 T CA -0.464 61.655 62.100 0.032 0.000 1.074 150 T CB 1.281 70.193 68.868 0.073 0.000 0.910 150 T HN 0.069 nan 8.240 nan 0.000 0.501 151 S N 3.091 118.806 115.700 0.025 0.000 2.584 151 S HA 0.135 4.605 4.470 -0.000 0.000 0.270 151 S C 1.398 176.014 174.600 0.027 0.000 1.346 151 S CA -0.653 57.555 58.200 0.014 0.000 1.018 151 S CB 0.752 63.962 63.200 0.017 0.000 0.899 151 S HN 0.802 nan 8.310 nan 0.000 0.542 152 R N 1.581 122.077 120.500 -0.006 0.000 2.148 152 R HA -0.018 4.322 4.340 -0.000 0.000 0.223 152 R C 2.397 178.727 176.300 0.050 0.000 1.088 152 R CA 1.456 57.549 56.100 -0.011 0.000 0.985 152 R CB -0.877 29.397 30.300 -0.043 0.000 0.880 152 R HN 0.795 nan 8.270 nan 0.000 0.451 153 K N 0.187 120.610 120.400 0.039 0.000 2.031 153 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 153 K C 2.144 178.778 176.600 0.057 0.000 1.049 153 K CA 1.345 57.657 56.287 0.041 0.000 0.939 153 K CB -1.575 30.942 32.500 0.028 0.000 0.717 153 K HN 0.503 nan 8.250 nan 0.000 0.438 154 G N -0.689 108.147 108.800 0.060 0.000 2.421 154 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 154 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 154 G C 1.689 176.639 174.900 0.083 0.000 1.171 154 G CA 1.166 46.298 45.100 0.054 0.000 0.775 154 G HN 0.614 nan 8.290 nan 0.000 0.543 155 Y N 1.164 121.449 120.300 -0.025 0.000 2.081 155 Y HA -0.182 4.368 4.550 0.001 0.000 0.280 155 Y C 2.710 178.599 175.900 -0.019 0.000 1.163 155 Y CA 1.783 59.868 58.100 -0.025 0.000 1.135 155 Y CB -0.203 38.247 38.460 -0.018 0.000 0.970 155 Y HN 0.103 nan 8.280 nan 0.000 0.498 156 L N -0.707 120.654 121.223 0.230 0.000 2.083 156 L HA -0.224 4.115 4.340 -0.000 0.000 0.209 156 L C 2.772 179.659 176.870 0.028 0.000 1.083 156 L CA 0.997 55.907 54.840 0.118 0.000 0.752 156 L CB -1.100 41.017 42.059 0.098 0.000 0.899 156 L HN 0.346 nan 8.230 nan 0.000 0.433 157 A N 0.416 123.248 122.820 0.020 0.000 1.877 157 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 157 A C 2.591 180.155 177.584 -0.034 0.000 1.186 157 A CA 1.822 53.854 52.037 -0.009 0.000 0.620 157 A CB -0.754 18.247 19.000 0.002 0.000 0.822 157 A HN 0.388 nan 8.150 nan 0.000 0.443 158 A N -0.055 122.731 122.820 -0.056 0.000 1.908 158 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 158 A C 2.039 179.567 177.584 -0.094 0.000 1.181 158 A CA 1.734 53.712 52.037 -0.100 0.000 0.627 158 A CB -0.545 18.359 19.000 -0.160 0.000 0.818 158 A HN 0.482 nan 8.150 nan 0.000 0.445 159 I N -0.702 119.805 120.570 -0.105 0.000 2.617 159 I HA -0.107 4.063 4.170 -0.000 0.000 0.256 159 I C 2.648 178.781 176.117 0.027 0.000 1.167 159 I CA 1.518 62.779 61.300 -0.066 0.000 1.469 159 I CB -0.825 37.124 38.000 -0.086 0.000 1.098 159 I HN 0.453 nan 8.210 nan 0.000 0.436 160 S N 1.033 116.745 115.700 0.020 0.000 2.357 160 S HA -0.027 4.442 4.470 -0.000 0.000 0.221 160 S C 2.187 176.832 174.600 0.074 0.000 1.031 160 S CA 1.318 59.549 58.200 0.052 0.000 0.982 160 S CB 0.054 63.241 63.200 -0.022 0.000 0.853 160 S HN 0.443 nan 8.310 nan 0.000 0.458 161 A N 0.371 123.199 122.820 0.015 0.000 1.930 161 A HA 0.139 4.459 4.320 -0.000 0.000 0.215 161 A C 2.323 179.939 177.584 0.053 0.000 1.176 161 A CA 1.621 53.656 52.037 -0.004 0.000 0.632 161 A CB -0.661 18.290 19.000 -0.082 0.000 0.819 161 A HN 0.555 nan 8.150 nan 0.000 0.445 162 S N -0.516 115.216 115.700 0.054 0.000 2.421 162 S HA 0.020 4.490 4.470 -0.000 0.000 0.224 162 S C 2.091 176.773 174.600 0.137 0.000 1.035 162 S CA 1.162 59.423 58.200 0.103 0.000 0.953 162 S CB 0.045 63.268 63.200 0.039 0.000 0.810 162 S HN 0.556 nan 8.310 nan 0.000 0.497 163 S N 0.173 115.932 115.700 0.098 0.000 2.541 163 S HA 0.177 4.647 4.470 -0.000 0.000 0.219 163 S C 1.554 176.228 174.600 0.123 0.000 1.025 163 S CA 0.004 58.251 58.200 0.077 0.000 0.917 163 S CB -0.675 62.558 63.200 0.055 0.000 0.859 163 S HN 0.488 nan 8.310 nan 0.000 0.584 164 Y N 3.643 123.984 120.300 0.067 0.000 2.193 164 Y HA -0.242 4.308 4.550 0.000 0.000 0.285 164 Y C 2.689 178.654 175.900 0.109 0.000 1.166 164 Y CA 1.575 59.720 58.100 0.075 0.000 1.181 164 Y CB -0.534 37.951 38.460 0.042 0.000 0.976 164 Y HN 0.400 nan 8.280 nan 0.000 0.520 165 S N -0.397 115.426 115.700 0.205 0.000 2.387 165 S HA -0.328 4.142 4.470 -0.000 0.000 0.230 165 S C 1.960 176.656 174.600 0.161 0.000 1.035 165 S CA 1.437 59.761 58.200 0.207 0.000 1.014 165 S CB -1.542 61.820 63.200 0.269 0.000 0.836 165 S HN 0.563 nan 8.310 nan 0.000 0.466 166 F N 2.728 122.673 119.950 -0.007 0.000 2.146 166 F HA -0.016 4.511 4.527 -0.001 0.000 0.298 166 F C 2.220 177.928 175.800 -0.153 0.000 1.096 166 F CA 1.272 59.187 58.000 -0.141 0.000 1.275 166 F CB -0.568 38.128 39.000 -0.506 0.000 1.008 166 F HN 0.070 nan 8.300 nan 0.000 0.480 167 V N -0.267 119.460 119.914 -0.313 0.000 2.287 167 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 167 V C 2.705 178.478 176.094 -0.535 0.000 1.053 167 V CA 2.116 64.125 62.300 -0.486 0.000 1.027 167 V CB -1.293 30.148 31.823 -0.638 0.000 0.646 167 V HN 0.557 nan 8.190 nan 0.000 0.447 168 S N -0.551 114.839 115.700 -0.517 0.000 2.348 168 S HA -0.167 4.302 4.470 -0.000 0.000 0.221 168 S C 1.996 176.624 174.600 0.046 0.000 1.033 168 S CA 1.801 59.915 58.200 -0.143 0.000 1.010 168 S CB -0.360 62.899 63.200 0.099 0.000 0.891 168 S HN 0.457 nan 8.310 nan 0.000 0.442 169 L N 0.586 121.811 121.223 0.002 0.000 1.971 169 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 169 L C 2.608 179.513 176.870 0.058 0.000 1.072 169 L CA 1.604 56.530 54.840 0.143 0.000 0.758 169 L CB -0.625 41.522 42.059 0.147 0.000 0.889 169 L HN 0.377 nan 8.230 nan 0.000 0.433 170 L N -0.735 120.279 121.223 -0.347 0.000 1.990 170 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 170 L C 2.746 179.501 176.870 -0.191 0.000 1.072 170 L CA 2.194 56.821 54.840 -0.355 0.000 0.755 170 L CB -0.746 40.871 42.059 -0.736 0.000 0.889 170 L HN 0.219 nan 8.230 nan 0.000 0.432 171 S N -1.880 113.668 115.700 -0.254 0.000 2.383 171 S HA -0.256 4.214 4.470 -0.000 0.000 0.229 171 S C 1.914 176.348 174.600 -0.276 0.000 1.030 171 S CA 1.685 59.727 58.200 -0.263 0.000 1.002 171 S CB -0.399 62.598 63.200 -0.338 0.000 0.829 171 S HN 0.747 nan 8.310 nan 0.000 0.467 172 H N -1.041 117.924 119.070 -0.175 0.000 2.307 172 H HA 0.119 4.675 4.556 -0.000 0.000 0.303 172 H C 1.744 176.878 175.328 -0.324 0.000 1.073 172 H CA 2.075 57.961 56.048 -0.270 0.000 1.338 172 H CB -0.288 29.246 29.762 -0.381 0.000 1.389 172 H HN 0.390 nan 8.280 nan 0.000 0.503 173 F N -0.080 119.826 119.950 -0.074 0.000 2.234 173 F HA -0.120 4.406 4.527 -0.000 0.000 0.299 173 F C 2.214 177.948 175.800 -0.109 0.000 1.087 173 F CA 0.441 58.357 58.000 -0.140 0.000 1.340 173 F CB -0.461 38.412 39.000 -0.211 0.000 1.031 173 F HN 0.084 nan 8.300 nan 0.000 0.500 174 L N 0.801 122.055 121.223 0.052 0.000 2.151 174 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 174 L C -0.805 176.056 176.870 -0.015 0.000 1.084 174 L CA 2.070 56.908 54.840 -0.004 0.000 0.764 174 L CB -1.481 40.545 42.059 -0.056 0.000 0.891 174 L HN -0.041 nan 8.230 nan 0.000 0.435 175 P HA -0.080 nan 4.420 nan 0.000 0.219 175 P C 1.286 178.580 177.300 -0.011 0.000 1.150 175 P CA 1.505 64.584 63.100 -0.035 0.000 0.814 175 P CB -0.103 31.564 31.700 -0.055 0.000 0.787 176 I N -6.253 114.323 120.570 0.011 0.000 3.884 176 I HA 0.283 4.453 4.170 -0.000 0.000 0.330 176 I C 0.296 176.444 176.117 0.051 0.000 1.451 176 I CA -0.072 61.250 61.300 0.035 0.000 1.165 176 I CB -0.611 37.419 38.000 0.051 0.000 1.097 176 I HN -0.228 nan 8.210 nan 0.000 0.404 177 M N 1.720 121.342 119.600 0.036 0.000 2.264 177 M HA 0.332 4.811 4.480 -0.000 0.000 0.352 177 M C -0.442 175.866 176.300 0.013 0.000 1.173 177 M CA -0.268 55.048 55.300 0.028 0.000 1.075 177 M CB 0.982 33.594 32.600 0.020 0.000 1.621 177 M HN 0.112 nan 8.290 nan 0.000 0.457 178 N N 4.261 122.969 118.700 0.012 0.000 2.442 178 N HA 0.277 5.016 4.740 -0.000 0.000 0.265 178 N C -2.471 173.038 175.510 -0.002 0.000 1.138 178 N CA -1.321 51.733 53.050 0.007 0.000 0.956 178 N CB 0.369 38.861 38.487 0.009 0.000 1.067 178 N HN 0.232 nan 8.380 nan 0.000 0.474 179 P HA -0.009 nan 4.420 nan 0.000 0.261 179 P C 0.856 178.149 177.300 -0.011 0.000 1.165 179 P CA 0.891 63.984 63.100 -0.012 0.000 0.759 179 P CB 0.359 32.052 31.700 -0.013 0.000 0.772 180 G N 1.707 110.498 108.800 -0.015 0.000 2.184 180 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.206 180 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.206 180 G C 0.553 175.440 174.900 -0.022 0.000 0.995 180 G CA -0.263 44.826 45.100 -0.018 0.000 0.651 180 G HN 0.867 nan 8.290 nan 0.000 0.511 181 G N -0.442 108.348 108.800 -0.017 0.000 2.563 181 G HA2 0.907 4.867 3.960 -0.000 0.000 0.283 181 G HA3 0.907 4.867 3.960 -0.000 0.000 0.283 181 G C 0.084 174.972 174.900 -0.021 0.000 1.309 181 G CA 0.586 45.676 45.100 -0.017 0.000 1.022 181 G HN 1.750 nan 8.290 nan 0.000 0.501 182 A N -1.285 121.525 122.820 -0.017 0.000 2.601 182 A HA 0.777 5.097 4.320 -0.000 0.000 0.291 182 A C -0.316 177.273 177.584 0.009 0.000 1.075 182 A CA 0.171 52.200 52.037 -0.013 0.000 0.671 182 A CB 1.102 20.076 19.000 -0.043 0.000 1.277 182 A HN 1.996 nan 8.150 nan 0.000 0.417 183 S N -0.205 115.518 115.700 0.039 0.000 2.599 183 S HA 0.881 5.350 4.470 -0.000 0.000 0.294 183 S C -0.927 173.708 174.600 0.058 0.000 1.094 183 S CA -0.532 57.726 58.200 0.096 0.000 0.931 183 S CB 1.608 64.948 63.200 0.234 0.000 1.093 183 S HN 1.952 nan 8.310 nan 0.000 0.488 184 I N 1.370 121.982 120.570 0.069 0.000 2.802 184 I HA 0.798 4.968 4.170 -0.000 0.000 0.298 184 I C -0.767 175.353 176.117 0.005 0.000 1.176 184 I CA 0.088 61.383 61.300 -0.008 0.000 1.025 184 I CB 2.183 40.170 38.000 -0.021 0.000 1.243 184 I HN 1.169 nan 8.210 nan 0.000 0.424 185 S N 6.349 121.990 115.700 -0.099 0.000 2.638 185 S HA 0.799 5.269 4.470 -0.000 0.000 0.274 185 S C -1.700 172.848 174.600 -0.086 0.000 1.157 185 S CA -0.888 57.264 58.200 -0.081 0.000 0.826 185 S CB 1.487 64.475 63.200 -0.355 0.000 1.139 185 S HN 0.585 nan 8.310 nan 0.000 0.474 186 L N 1.744 122.959 121.223 -0.012 0.000 2.343 186 L HA 0.616 4.956 4.340 -0.000 0.000 0.278 186 L C 0.257 177.118 176.870 -0.015 0.000 0.996 186 L CA -0.463 54.351 54.840 -0.044 0.000 0.831 186 L CB 1.780 43.827 42.059 -0.019 0.000 1.232 186 L HN 0.907 nan 8.230 nan 0.000 0.413 187 T N 1.250 115.767 114.554 -0.063 0.000 2.819 187 T HA 0.613 4.962 4.350 -0.000 0.000 0.271 187 T C -1.681 173.059 174.700 0.066 0.000 0.986 187 T CA -0.227 61.861 62.100 -0.020 0.000 0.989 187 T CB 1.522 70.328 68.868 -0.104 0.000 1.396 187 T HN 0.411 nan 8.240 nan 0.000 0.597 188 Y N 0.117 120.361 120.300 -0.092 0.000 2.552 188 Y HA 0.444 4.994 4.550 -0.001 0.000 0.337 188 Y C 0.365 176.214 175.900 -0.085 0.000 1.094 188 Y CA -1.122 56.910 58.100 -0.113 0.000 1.028 188 Y CB 0.900 39.248 38.460 -0.187 0.000 1.321 188 Y HN 0.503 nan 8.280 nan 0.000 0.456 189 I N 3.907 123.906 120.570 -0.952 0.000 2.399 189 I HA -0.192 3.977 4.170 -0.000 0.000 0.254 189 I C 2.048 177.867 176.117 -0.496 0.000 1.146 189 I CA 2.304 63.230 61.300 -0.624 0.000 1.412 189 I CB -0.663 37.044 38.000 -0.489 0.000 1.076 189 I HN 0.792 nan 8.210 nan 0.000 0.432 190 A N -0.613 121.817 122.820 -0.651 0.000 2.131 190 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 190 A C 2.492 180.084 177.584 0.013 0.000 1.158 190 A CA 1.801 53.759 52.037 -0.131 0.000 0.665 190 A CB -1.048 18.049 19.000 0.161 0.000 0.795 190 A HN 0.616 nan 8.150 nan 0.000 0.460 191 S N -0.410 115.283 115.700 -0.012 0.000 2.402 191 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 191 S C 1.442 176.050 174.600 0.014 0.000 1.021 191 S CA 1.472 59.689 58.200 0.029 0.000 0.974 191 S CB -0.237 62.974 63.200 0.019 0.000 0.800 191 S HN 0.678 nan 8.310 nan 0.000 0.484 192 E N -0.110 120.085 120.200 -0.008 0.000 2.473 192 E HA 0.270 4.620 4.350 -0.000 0.000 0.204 192 E C 0.084 176.680 176.600 -0.005 0.000 0.994 192 E CA -0.127 56.277 56.400 0.006 0.000 0.945 192 E CB 0.545 30.264 29.700 0.031 0.000 0.990 192 E HN 0.297 nan 8.360 nan 0.000 0.493 193 R N 0.486 120.971 120.500 -0.025 0.000 2.808 193 R HA 0.424 4.764 4.340 -0.000 0.000 0.272 193 R C -0.674 175.621 176.300 -0.008 0.000 0.995 193 R CA -0.830 55.256 56.100 -0.023 0.000 0.917 193 R CB 1.442 31.714 30.300 -0.047 0.000 1.217 193 R HN -0.045 nan 8.270 nan 0.000 0.471 194 I N 3.096 123.672 120.570 0.010 0.000 2.505 194 I HA 0.093 4.263 4.170 -0.000 0.000 0.287 194 I C 0.239 176.379 176.117 0.039 0.000 1.104 194 I CA 0.385 61.705 61.300 0.033 0.000 1.387 194 I CB 0.278 38.297 38.000 0.033 0.000 1.404 194 I HN 0.184 nan 8.210 nan 0.000 0.528 195 I N 8.783 129.401 120.570 0.081 0.000 2.537 195 I HA 0.314 4.484 4.170 -0.000 0.000 0.276 195 I C -2.194 174.020 176.117 0.161 0.000 1.063 195 I CA -2.061 59.315 61.300 0.127 0.000 1.144 195 I CB 0.676 38.799 38.000 0.205 0.000 1.252 195 I HN 0.222 nan 8.210 nan 0.000 0.480 196 P HA 0.159 nan 4.420 nan 0.000 0.264 196 P C 1.094 178.449 177.300 0.092 0.000 1.179 196 P CA 0.927 64.081 63.100 0.089 0.000 0.763 196 P CB 0.687 32.433 31.700 0.076 0.000 0.806 197 G N 1.618 110.408 108.800 -0.016 0.000 2.268 197 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.240 197 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.240 197 G C -0.024 174.627 174.900 -0.414 0.000 1.010 197 G CA -0.212 44.767 45.100 -0.203 0.000 0.618 197 G HN 0.556 nan 8.290 nan 0.000 0.516 198 Y N 3.122 123.184 120.300 -0.395 0.000 2.821 198 Y HA 0.558 5.108 4.550 0.000 0.000 0.331 198 Y C 1.049 176.864 175.900 -0.141 0.000 1.251 198 Y CA -0.031 57.873 58.100 -0.327 0.000 1.494 198 Y CB -0.077 38.337 38.460 -0.076 0.000 1.493 198 Y HN 0.366 nan 8.280 nan 0.000 0.496 199 G N 0.580 109.217 108.800 -0.272 0.000 2.736 199 G HA2 0.442 4.402 3.960 -0.000 0.000 0.229 199 G HA3 0.442 4.402 3.960 -0.000 0.000 0.229 199 G C 0.731 175.496 174.900 -0.225 0.000 1.380 199 G CA -0.531 44.455 45.100 -0.190 0.000 1.040 199 G HN 0.985 nan 8.290 nan 0.000 0.568 200 G N -2.002 106.730 108.800 -0.114 0.000 2.155 200 G HA2 0.227 4.187 3.960 -0.000 0.000 0.257 200 G HA3 0.227 4.187 3.960 -0.000 0.000 0.257 200 G C 1.492 176.335 174.900 -0.094 0.000 0.983 200 G CA 1.219 46.269 45.100 -0.084 0.000 0.676 200 G HN 2.509 nan 8.290 nan 0.000 0.528 201 G N -1.616 107.121 108.800 -0.104 0.000 2.143 201 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.249 201 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.249 201 G C 1.245 175.957 174.900 -0.314 0.000 0.981 201 G CA 1.143 46.092 45.100 -0.250 0.000 0.665 201 G HN 0.636 nan 8.290 nan 0.000 0.528 202 M N 1.527 120.943 119.600 -0.307 0.000 2.117 202 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 202 M C 2.931 179.159 176.300 -0.121 0.000 1.065 202 M CA 2.410 57.503 55.300 -0.345 0.000 1.114 202 M CB -1.421 30.699 32.600 -0.800 0.000 1.361 202 M HN 0.798 nan 8.290 nan 0.000 0.408 203 S N -0.041 115.641 115.700 -0.030 0.000 2.370 203 S HA -0.133 4.337 4.470 -0.000 0.000 0.226 203 S C 1.991 176.632 174.600 0.067 0.000 1.033 203 S CA 1.858 60.181 58.200 0.204 0.000 1.011 203 S CB -0.776 62.546 63.200 0.202 0.000 0.852 203 S HN 0.475 nan 8.310 nan 0.000 0.457 204 S N 2.784 118.455 115.700 -0.049 0.000 2.382 204 S HA 0.118 4.587 4.470 -0.000 0.000 0.228 204 S C 2.308 176.844 174.600 -0.106 0.000 1.027 204 S CA 0.948 59.091 58.200 -0.096 0.000 0.991 204 S CB -0.905 62.123 63.200 -0.286 0.000 0.823 204 S HN 0.814 nan 8.310 nan 0.000 0.469 205 A N 2.344 125.082 122.820 -0.135 0.000 1.902 205 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 205 A C 2.131 179.710 177.584 -0.008 0.000 1.181 205 A CA 1.229 53.216 52.037 -0.083 0.000 0.623 205 A CB -0.342 18.605 19.000 -0.087 0.000 0.818 205 A HN 0.218 nan 8.150 nan 0.000 0.443 206 K N 0.092 120.521 120.400 0.049 0.000 2.026 206 K HA -0.031 4.289 4.320 -0.000 0.000 0.208 206 K C 2.281 178.887 176.600 0.011 0.000 1.048 206 K CA 1.400 57.724 56.287 0.061 0.000 0.929 206 K CB -1.116 31.473 32.500 0.149 0.000 0.713 206 K HN 0.436 nan 8.250 nan 0.000 0.439 207 A N 1.556 124.387 122.820 0.019 0.000 1.892 207 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 207 A C 2.437 180.017 177.584 -0.006 0.000 1.188 207 A CA 2.578 54.618 52.037 0.007 0.000 0.631 207 A CB -0.760 18.252 19.000 0.019 0.000 0.822 207 A HN 0.330 nan 8.150 nan 0.000 0.447 208 A N -0.784 122.033 122.820 -0.005 0.000 1.898 208 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 208 A C 2.133 179.703 177.584 -0.022 0.000 1.181 208 A CA 1.687 53.724 52.037 0.000 0.000 0.620 208 A CB -0.599 18.408 19.000 0.012 0.000 0.819 208 A HN 0.765 nan 8.150 nan 0.000 0.442 209 L N 0.215 121.409 121.223 -0.048 0.000 2.083 209 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 209 L C 2.105 178.878 176.870 -0.162 0.000 1.083 209 L CA 2.437 57.204 54.840 -0.121 0.000 0.752 209 L CB -0.626 41.352 42.059 -0.136 0.000 0.899 209 L HN 0.533 nan 8.230 nan 0.000 0.433 210 E N -1.229 118.904 120.200 -0.112 0.000 2.046 210 E HA -0.193 4.157 4.350 -0.000 0.000 0.190 210 E C 2.242 178.793 176.600 -0.082 0.000 0.982 210 E CA 1.203 57.533 56.400 -0.116 0.000 0.800 210 E CB -0.289 29.358 29.700 -0.089 0.000 0.756 210 E HN 0.524 nan 8.360 nan 0.000 0.449 211 S N 0.958 116.631 115.700 -0.045 0.000 2.370 211 S HA -0.195 4.274 4.470 -0.000 0.000 0.226 211 S C 1.487 176.077 174.600 -0.016 0.000 1.033 211 S CA 1.632 59.820 58.200 -0.020 0.000 1.011 211 S CB -0.300 62.900 63.200 0.000 0.000 0.852 211 S HN 0.172 nan 8.310 nan 0.000 0.457 212 D N 0.478 120.866 120.400 -0.019 0.000 2.264 212 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 212 D C 1.942 178.240 176.300 -0.004 0.000 0.966 212 D CA 1.151 55.159 54.000 0.013 0.000 0.864 212 D CB -0.738 40.091 40.800 0.048 0.000 0.933 212 D HN 0.449 nan 8.370 nan 0.000 0.499 213 T N 1.085 115.575 114.554 -0.105 0.000 2.708 213 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 213 T C 2.027 176.709 174.700 -0.030 0.000 1.037 213 T CA 0.928 62.944 62.100 -0.139 0.000 1.146 213 T CB 0.008 68.753 68.868 -0.206 0.000 0.865 213 T HN 0.192 nan 8.240 nan 0.000 0.435 214 R N 0.415 120.903 120.500 -0.020 0.000 2.070 214 R HA -0.048 4.292 4.340 -0.000 0.000 0.233 214 R C 2.575 178.916 176.300 0.068 0.000 1.137 214 R CA 1.225 57.335 56.100 0.016 0.000 0.945 214 R CB -0.935 29.366 30.300 0.002 0.000 0.845 214 R HN 0.232 nan 8.270 nan 0.000 0.430 215 V N 1.632 121.589 119.914 0.072 0.000 2.407 215 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 215 V C 2.296 178.494 176.094 0.173 0.000 1.055 215 V CA 1.583 63.962 62.300 0.131 0.000 1.049 215 V CB -0.421 31.464 31.823 0.104 0.000 0.662 215 V HN 0.281 nan 8.190 nan 0.000 0.455 216 L N -0.073 121.226 121.223 0.126 0.000 2.156 216 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 216 L C 2.674 179.600 176.870 0.094 0.000 1.095 216 L CA 1.178 56.089 54.840 0.117 0.000 0.770 216 L CB -0.673 41.500 42.059 0.189 0.000 0.914 216 L HN 0.346 nan 8.230 nan 0.000 0.439 217 A N -0.038 122.843 122.820 0.102 0.000 1.933 217 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 217 A C 2.125 179.776 177.584 0.113 0.000 1.175 217 A CA 1.566 53.653 52.037 0.082 0.000 0.628 217 A CB -0.692 18.349 19.000 0.067 0.000 0.814 217 A HN 0.414 nan 8.150 nan 0.000 0.444 218 F N 0.798 120.751 119.950 0.005 0.000 2.060 218 F HA -0.074 4.453 4.527 -0.000 0.000 0.295 218 F C 2.113 177.915 175.800 0.002 0.000 1.120 218 F CA 2.015 60.017 58.000 0.002 0.000 1.205 218 F CB -0.668 38.333 39.000 0.002 0.000 0.986 218 F HN 0.348 nan 8.300 nan 0.000 0.470 219 E N 0.377 120.464 120.200 -0.189 0.000 2.012 219 E HA -0.242 4.107 4.350 -0.000 0.000 0.197 219 E C 2.315 178.779 176.600 -0.228 0.000 1.007 219 E CA 1.489 57.710 56.400 -0.298 0.000 0.816 219 E CB -0.598 29.048 29.700 -0.091 0.000 0.762 219 E HN 0.483 nan 8.360 nan 0.000 0.451 220 A N 0.824 123.579 122.820 -0.108 0.000 1.969 220 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 220 A C 2.354 179.886 177.584 -0.087 0.000 1.169 220 A CA 1.506 53.494 52.037 -0.082 0.000 0.635 220 A CB -0.950 18.030 19.000 -0.033 0.000 0.810 220 A HN 0.371 nan 8.150 nan 0.000 0.445 221 G N -0.519 108.232 108.800 -0.082 0.000 2.446 221 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.217 221 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.217 221 G C 1.665 176.505 174.900 -0.101 0.000 1.168 221 G CA 0.716 45.779 45.100 -0.062 0.000 0.771 221 G HN 0.387 nan 8.290 nan 0.000 0.551 222 R N 0.133 120.511 120.500 -0.203 0.000 2.200 222 R HA 0.135 4.475 4.340 -0.000 0.000 0.208 222 R C 2.243 178.446 176.300 -0.162 0.000 1.033 222 R CA 0.912 56.888 56.100 -0.207 0.000 1.000 222 R CB -0.243 29.826 30.300 -0.385 0.000 0.906 222 R HN 0.477 nan 8.270 nan 0.000 0.462 223 K N 0.091 120.393 120.400 -0.163 0.000 2.166 223 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 223 K C 1.203 177.756 176.600 -0.079 0.000 1.052 223 K CA 0.979 57.195 56.287 -0.118 0.000 0.969 223 K CB 0.392 32.819 32.500 -0.123 0.000 0.761 223 K HN -0.131 nan 8.250 nan 0.000 0.459 224 Q N 0.014 119.772 119.800 -0.069 0.000 2.028 224 Q HA 0.216 4.555 4.340 -0.000 0.000 0.207 224 Q C -1.010 174.968 176.000 -0.038 0.000 0.776 224 Q CA -0.034 55.741 55.803 -0.047 0.000 1.015 224 Q CB 0.559 29.271 28.738 -0.042 0.000 1.215 224 Q HN 0.281 nan 8.270 nan 0.000 0.445 225 N N 0.793 119.468 118.700 -0.043 0.000 2.721 225 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 225 N C -0.745 174.750 175.510 -0.026 0.000 1.072 225 N CA 0.678 53.709 53.050 -0.032 0.000 0.710 225 N CB -0.524 37.948 38.487 -0.025 0.000 0.993 225 N HN 0.292 nan 8.380 nan 0.000 0.547 226 I N 0.964 121.518 120.570 -0.026 0.000 2.488 226 I HA 0.285 4.455 4.170 -0.000 0.000 0.299 226 I C 1.147 177.257 176.117 -0.010 0.000 0.984 226 I CA -0.172 61.118 61.300 -0.016 0.000 1.250 226 I CB 1.476 39.469 38.000 -0.012 0.000 1.389 226 I HN -0.067 nan 8.210 nan 0.000 0.488 227 R N 3.150 123.644 120.500 -0.010 0.000 2.598 227 R HA 0.776 5.116 4.340 -0.000 0.000 0.279 227 R C -1.194 175.112 176.300 0.010 0.000 0.984 227 R CA -0.791 55.303 56.100 -0.010 0.000 0.999 227 R CB 2.086 32.364 30.300 -0.036 0.000 1.114 227 R HN 0.340 nan 8.270 nan 0.000 0.493 228 V N 2.787 122.707 119.914 0.011 0.000 2.612 228 V HA 0.382 4.502 4.120 -0.000 0.000 0.301 228 V C -0.801 175.270 176.094 -0.038 0.000 1.059 228 V CA -0.878 61.436 62.300 0.024 0.000 0.886 228 V CB 1.830 33.700 31.823 0.079 0.000 1.007 228 V HN 0.796 nan 8.190 nan 0.000 0.426 229 N N 1.461 120.114 118.700 -0.079 0.000 2.647 229 N HA 0.639 5.379 4.740 -0.000 0.000 0.266 229 N C -1.040 174.366 175.510 -0.173 0.000 1.373 229 N CA -0.501 52.482 53.050 -0.111 0.000 0.807 229 N CB 2.492 40.928 38.487 -0.084 0.000 1.513 229 N HN 0.606 nan 8.380 nan 0.000 0.505 230 T N 0.090 114.536 114.554 -0.180 0.000 2.909 230 T HA 0.664 5.014 4.350 -0.000 0.000 0.299 230 T C -1.248 173.337 174.700 -0.191 0.000 1.073 230 T CA -0.484 61.488 62.100 -0.213 0.000 0.999 230 T CB 0.760 69.472 68.868 -0.259 0.000 1.098 230 T HN 0.290 nan 8.240 nan 0.000 0.477 231 I N 2.958 123.415 120.570 -0.189 0.000 2.378 231 I HA 0.361 4.530 4.170 -0.000 0.000 0.291 231 I C 0.294 176.261 176.117 -0.250 0.000 0.992 231 I CA -0.718 60.460 61.300 -0.204 0.000 1.154 231 I CB 1.961 39.859 38.000 -0.171 0.000 1.315 231 I HN 0.497 nan 8.210 nan 0.000 0.448 232 S N 5.922 121.400 115.700 -0.370 0.000 2.473 232 S HA 0.572 5.042 4.470 -0.000 0.000 0.312 232 S C 0.095 174.589 174.600 -0.176 0.000 1.087 232 S CA -0.593 57.384 58.200 -0.372 0.000 1.077 232 S CB -0.051 62.623 63.200 -0.877 0.000 1.065 232 S HN 0.644 nan 8.310 nan 0.000 0.510 233 A N 4.051 126.821 122.820 -0.084 0.000 2.286 233 A HA 0.771 5.091 4.320 -0.000 0.000 0.286 233 A C 0.887 178.562 177.584 0.151 0.000 1.097 233 A CA -0.243 51.764 52.037 -0.050 0.000 0.821 233 A CB 0.249 19.059 19.000 -0.317 0.000 1.076 233 A HN 0.863 nan 8.150 nan 0.000 0.490 234 G N -0.094 108.802 108.800 0.161 0.000 2.563 234 G HA2 0.548 4.508 3.960 -0.000 0.000 0.283 234 G HA3 0.548 4.508 3.960 -0.000 0.000 0.283 234 G C -2.610 172.423 174.900 0.223 0.000 1.309 234 G CA -1.272 43.958 45.100 0.216 0.000 1.022 234 G HN 0.583 nan 8.290 nan 0.000 0.501 235 P HA 0.299 nan 4.420 nan 0.000 0.276 235 P C -0.979 176.347 177.300 0.044 0.000 1.230 235 P CA -0.138 62.980 63.100 0.030 0.000 0.776 235 P CB 1.520 33.190 31.700 -0.049 0.000 0.888 236 L N 2.642 123.838 121.223 -0.046 0.000 2.476 236 L HA 0.546 4.886 4.340 -0.000 0.000 0.269 236 L C 0.794 177.555 176.870 -0.183 0.000 0.965 236 L CA -0.168 54.569 54.840 -0.171 0.000 0.845 236 L CB 1.610 43.344 42.059 -0.542 0.000 1.259 236 L HN 0.477 nan 8.230 nan 0.000 0.403 237 G N 2.834 111.557 108.800 -0.130 0.000 3.297 237 G HA2 0.066 4.026 3.960 -0.000 0.000 0.225 237 G HA3 0.066 4.026 3.960 -0.000 0.000 0.225 237 G C 0.645 175.483 174.900 -0.104 0.000 1.171 237 G CA 0.369 45.411 45.100 -0.098 0.000 1.652 237 G HN 0.851 nan 8.290 nan 0.000 0.564 238 S N -0.674 114.939 115.700 -0.145 0.000 2.658 238 S HA 0.078 4.548 4.470 -0.000 0.000 0.249 238 S C 1.655 176.215 174.600 -0.065 0.000 1.363 238 S CA -0.105 58.017 58.200 -0.130 0.000 0.964 238 S CB 0.923 64.022 63.200 -0.169 0.000 0.973 238 S HN 0.404 nan 8.310 nan 0.000 0.588 239 R N -0.025 120.445 120.500 -0.050 0.000 2.075 239 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 239 R C 2.506 178.808 176.300 0.003 0.000 1.126 239 R CA 1.288 57.379 56.100 -0.016 0.000 0.963 239 R CB -1.032 29.267 30.300 -0.003 0.000 0.858 239 R HN 0.805 nan 8.270 nan 0.000 0.435 240 A N 0.450 123.270 122.820 0.001 0.000 1.929 240 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 240 A C 2.251 179.856 177.584 0.034 0.000 1.176 240 A CA 1.410 53.456 52.037 0.016 0.000 0.628 240 A CB -0.534 18.470 19.000 0.007 0.000 0.816 240 A HN 0.491 nan 8.150 nan 0.000 0.444 241 A N -0.391 122.443 122.820 0.023 0.000 1.969 241 A HA -0.090 4.229 4.320 -0.000 0.000 0.218 241 A C 2.046 179.669 177.584 0.064 0.000 1.169 241 A CA 1.682 53.751 52.037 0.054 0.000 0.635 241 A CB -0.297 18.698 19.000 -0.009 0.000 0.810 241 A HN 0.293 nan 8.150 nan 0.000 0.445 242 K N 0.232 120.649 120.400 0.028 0.000 2.032 242 K HA -0.107 4.212 4.320 -0.000 0.000 0.209 242 K C 2.271 178.902 176.600 0.051 0.000 1.048 242 K CA 1.536 57.842 56.287 0.030 0.000 0.927 242 K CB -1.032 31.476 32.500 0.013 0.000 0.712 242 K HN 0.445 nan 8.250 nan 0.000 0.441 243 A N 1.577 124.425 122.820 0.047 0.000 1.883 243 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 243 A C 2.315 179.932 177.584 0.054 0.000 1.186 243 A CA 1.628 53.692 52.037 0.045 0.000 0.624 243 A CB -0.705 18.316 19.000 0.035 0.000 0.822 243 A HN 0.269 nan 8.150 nan 0.000 0.444 244 I N -0.771 119.845 120.570 0.077 0.000 2.185 244 I HA -0.252 3.918 4.170 -0.000 0.000 0.246 244 I C 1.806 177.993 176.117 0.116 0.000 1.088 244 I CA 1.435 62.782 61.300 0.078 0.000 1.347 244 I CB -0.945 37.148 38.000 0.156 0.000 1.041 244 I HN 0.576 nan 8.210 nan 0.000 0.415 245 G N 0.834 109.744 108.800 0.183 0.000 2.212 245 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.255 245 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.255 245 G C 0.414 175.477 174.900 0.272 0.000 1.062 245 G CA 0.291 45.490 45.100 0.165 0.000 0.815 245 G HN 0.690 nan 8.290 nan 0.000 0.497 246 F N -2.398 117.563 119.950 0.018 0.000 3.087 246 F HA 0.305 4.833 4.527 0.000 0.000 0.371 246 F C 1.765 177.574 175.800 0.015 0.000 1.144 246 F CA 0.174 58.187 58.000 0.022 0.000 1.030 246 F CB -0.309 38.712 39.000 0.035 0.000 1.366 246 F HN 0.164 nan 8.300 nan 0.000 0.522 247 I N -0.481 119.931 120.570 -0.264 0.000 2.226 247 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 247 I C 1.693 177.673 176.117 -0.230 0.000 1.100 247 I CA 1.505 62.567 61.300 -0.397 0.000 1.374 247 I CB -0.758 37.137 38.000 -0.175 0.000 1.057 247 I HN 0.011 nan 8.210 nan 0.000 0.413 248 D N 1.565 121.899 120.400 -0.109 0.000 2.116 248 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 248 D C 2.283 178.556 176.300 -0.045 0.000 0.998 248 D CA 2.256 56.222 54.000 -0.057 0.000 0.836 248 D CB -0.334 40.452 40.800 -0.023 0.000 0.951 248 D HN 0.416 nan 8.370 nan 0.000 0.449 249 T N 1.050 115.574 114.554 -0.050 0.000 2.746 249 T HA -0.121 4.228 4.350 -0.000 0.000 0.267 249 T C 1.968 176.672 174.700 0.006 0.000 1.039 249 T CA 0.896 62.994 62.100 -0.002 0.000 1.142 249 T CB -0.024 68.850 68.868 0.009 0.000 0.866 249 T HN 0.059 nan 8.240 nan 0.000 0.444 250 M N 0.471 119.979 119.600 -0.153 0.000 2.132 250 M HA 0.095 4.575 4.480 -0.000 0.000 0.263 250 M C 2.313 178.624 176.300 0.019 0.000 1.065 250 M CA 1.188 56.398 55.300 -0.150 0.000 1.122 250 M CB -1.181 31.127 32.600 -0.487 0.000 1.365 250 M HN 0.264 nan 8.290 nan 0.000 0.411 251 I N -0.107 120.444 120.570 -0.032 0.000 2.142 251 I HA -0.294 3.876 4.170 -0.000 0.000 0.240 251 I C 2.477 178.651 176.117 0.094 0.000 1.078 251 I CA 1.435 62.752 61.300 0.028 0.000 1.343 251 I CB -0.335 37.658 38.000 -0.012 0.000 1.046 251 I HN 0.258 nan 8.210 nan 0.000 0.405 252 E N 0.549 120.794 120.200 0.076 0.000 2.110 252 E HA -0.299 4.051 4.350 -0.000 0.000 0.193 252 E C 2.090 178.786 176.600 0.161 0.000 0.988 252 E CA 1.528 57.986 56.400 0.096 0.000 0.804 252 E CB -0.479 29.253 29.700 0.054 0.000 0.745 252 E HN 0.498 nan 8.360 nan 0.000 0.458 253 Y N 0.188 120.515 120.300 0.045 0.000 2.181 253 Y HA -0.197 4.353 4.550 0.000 0.000 0.288 253 Y C 2.598 178.534 175.900 0.059 0.000 1.146 253 Y CA 2.038 60.168 58.100 0.049 0.000 1.164 253 Y CB -0.729 37.745 38.460 0.024 0.000 0.982 253 Y HN 0.145 nan 8.280 nan 0.000 0.515 254 S N -0.955 114.897 115.700 0.253 0.000 2.383 254 S HA -0.254 4.216 4.470 -0.000 0.000 0.227 254 S C 1.963 176.593 174.600 0.051 0.000 1.026 254 S CA 1.261 59.555 58.200 0.157 0.000 0.981 254 S CB -0.894 62.412 63.200 0.176 0.000 0.818 254 S HN 0.671 nan 8.310 nan 0.000 0.472 255 Y N 2.592 122.884 120.300 -0.014 0.000 2.097 255 Y HA -0.142 4.408 4.550 -0.000 0.000 0.282 255 Y C 1.974 177.831 175.900 -0.073 0.000 1.152 255 Y CA 2.335 60.416 58.100 -0.031 0.000 1.136 255 Y CB -0.876 37.572 38.460 -0.020 0.000 0.975 255 Y HN 0.434 nan 8.280 nan 0.000 0.498 256 N N -0.255 118.453 118.700 0.013 0.000 2.104 256 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 256 N C 0.710 176.077 175.510 -0.238 0.000 1.024 256 N CA 1.311 54.294 53.050 -0.112 0.000 0.853 256 N CB -0.171 38.252 38.487 -0.107 0.000 1.008 256 N HN 0.465 nan 8.380 nan 0.000 0.424 257 N N 0.004 118.516 118.700 -0.313 0.000 2.187 257 N HA 0.161 4.901 4.740 -0.000 0.000 0.212 257 N C -0.391 175.012 175.510 -0.178 0.000 1.152 257 N CA -0.090 52.786 53.050 -0.290 0.000 0.872 257 N CB 0.869 39.082 38.487 -0.457 0.000 1.025 257 N HN 0.100 nan 8.380 nan 0.000 0.514 258 A N 1.766 124.493 122.820 -0.155 0.000 2.272 258 A HA 0.426 4.746 4.320 -0.000 0.000 0.275 258 A C -1.252 176.260 177.584 -0.120 0.000 1.096 258 A CA -1.012 50.963 52.037 -0.102 0.000 0.822 258 A CB 0.435 19.392 19.000 -0.073 0.000 1.088 258 A HN -0.143 nan 8.150 nan 0.000 0.495 259 P HA -0.041 nan 4.420 nan 0.000 0.214 259 P C 0.239 177.478 177.300 -0.101 0.000 1.162 259 P CA 1.108 64.154 63.100 -0.090 0.000 0.879 259 P CB -0.219 31.440 31.700 -0.069 0.000 0.786 260 I N -2.378 118.135 120.570 -0.094 0.000 2.331 260 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 260 I C 0.030 176.046 176.117 -0.168 0.000 0.998 260 I CA -0.889 60.348 61.300 -0.106 0.000 1.267 260 I CB 1.013 38.971 38.000 -0.070 0.000 1.386 260 I HN -0.211 nan 8.210 nan 0.000 0.476 261 Q N 7.459 127.114 119.800 -0.242 0.000 2.441 261 Q HA 0.328 4.668 4.340 -0.000 0.000 0.234 261 Q C -0.871 174.876 176.000 -0.422 0.000 1.078 261 Q CA -0.325 55.185 55.803 -0.488 0.000 0.907 261 Q CB 0.559 28.942 28.738 -0.592 0.000 1.269 261 Q HN 0.844 nan 8.270 nan 0.000 0.502 262 K N -0.015 120.241 120.400 -0.239 0.000 2.428 262 K HA 0.502 4.822 4.320 -0.000 0.000 0.279 262 K C -0.603 176.126 176.600 0.216 0.000 1.041 262 K CA -0.872 55.455 56.287 0.068 0.000 0.887 262 K CB 0.622 33.144 32.500 0.038 0.000 1.535 262 K HN 0.314 nan 8.250 nan 0.000 0.417 263 T N -1.094 113.585 114.554 0.208 0.000 2.788 263 T HA 0.485 4.835 4.350 -0.000 0.000 0.280 263 T C -0.317 174.452 174.700 0.114 0.000 0.984 263 T CA -0.781 61.417 62.100 0.163 0.000 0.972 263 T CB 0.702 69.633 68.868 0.104 0.000 1.039 263 T HN 0.443 nan 8.240 nan 0.000 0.530 264 L N 1.395 122.681 121.223 0.104 0.000 2.410 264 L HA 0.690 5.030 4.340 -0.000 0.000 0.270 264 L C -0.293 176.641 176.870 0.108 0.000 0.983 264 L CA -0.144 54.763 54.840 0.111 0.000 0.822 264 L CB 2.148 44.286 42.059 0.133 0.000 1.285 264 L HN 1.194 nan 8.230 nan 0.000 0.409 265 T N 1.656 116.282 114.554 0.121 0.000 2.861 265 T HA 0.654 5.003 4.350 -0.000 0.000 0.287 265 T C 1.060 175.876 174.700 0.195 0.000 1.003 265 T CA -0.153 62.015 62.100 0.113 0.000 0.977 265 T CB 1.693 70.608 68.868 0.078 0.000 0.996 265 T HN 0.858 nan 8.240 nan 0.000 0.448 266 A N 2.359 125.301 122.820 0.205 0.000 1.985 266 A HA -0.238 4.082 4.320 -0.000 0.000 0.223 266 A C 1.918 179.674 177.584 0.287 0.000 1.189 266 A CA 2.766 55.036 52.037 0.388 0.000 0.658 266 A CB -1.466 17.633 19.000 0.164 0.000 0.820 266 A HN 1.073 nan 8.150 nan 0.000 0.464 267 D N -0.551 119.952 120.400 0.172 0.000 2.133 267 D HA -0.221 4.419 4.640 -0.000 0.000 0.192 267 D C 1.805 178.164 176.300 0.097 0.000 1.001 267 D CA 2.103 56.173 54.000 0.117 0.000 0.844 267 D CB -0.275 40.578 40.800 0.089 0.000 0.944 267 D HN 0.684 nan 8.370 nan 0.000 0.447 268 E N -0.680 119.581 120.200 0.101 0.000 2.106 268 E HA -0.102 4.247 4.350 -0.000 0.000 0.192 268 E C 2.367 178.992 176.600 0.041 0.000 0.984 268 E CA 0.875 57.315 56.400 0.066 0.000 0.806 268 E CB 0.099 29.839 29.700 0.067 0.000 0.750 268 E HN 0.188 nan 8.360 nan 0.000 0.458 269 V N 0.815 120.754 119.914 0.042 0.000 2.358 269 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 269 V C 2.352 178.425 176.094 -0.036 0.000 1.047 269 V CA 1.952 64.194 62.300 -0.097 0.000 1.035 269 V CB -0.976 30.576 31.823 -0.451 0.000 0.658 269 V HN 0.427 nan 8.190 nan 0.000 0.452 270 G N 0.145 108.970 108.800 0.043 0.000 2.440 270 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.218 270 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.218 270 G C 1.366 176.283 174.900 0.028 0.000 1.154 270 G CA 1.357 46.483 45.100 0.043 0.000 0.767 270 G HN 0.645 nan 8.290 nan 0.000 0.552 271 N N 0.832 119.553 118.700 0.036 0.000 2.142 271 N HA 0.038 4.778 4.740 -0.000 0.000 0.186 271 N C 2.538 178.091 175.510 0.071 0.000 1.023 271 N CA 0.782 53.857 53.050 0.042 0.000 0.852 271 N CB -0.180 38.324 38.487 0.029 0.000 0.998 271 N HN 0.342 nan 8.380 nan 0.000 0.424 272 A N 1.206 124.060 122.820 0.057 0.000 1.978 272 A HA -0.046 4.274 4.320 -0.000 0.000 0.220 272 A C 2.309 179.964 177.584 0.118 0.000 1.170 272 A CA 1.687 53.786 52.037 0.104 0.000 0.636 272 A CB -0.774 18.255 19.000 0.049 0.000 0.810 272 A HN 0.358 nan 8.150 nan 0.000 0.448 273 A N -0.067 122.778 122.820 0.042 0.000 1.873 273 A HA 0.182 4.502 4.320 -0.000 0.000 0.215 273 A C 2.541 180.135 177.584 0.017 0.000 1.186 273 A CA 2.052 54.094 52.037 0.009 0.000 0.616 273 A CB -1.141 17.850 19.000 -0.016 0.000 0.823 273 A HN 1.086 nan 8.150 nan 0.000 0.442 274 A N -0.886 121.957 122.820 0.038 0.000 1.908 274 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 274 A C 2.064 179.688 177.584 0.067 0.000 1.181 274 A CA 1.866 53.925 52.037 0.036 0.000 0.627 274 A CB -0.790 18.235 19.000 0.042 0.000 0.818 274 A HN 0.800 nan 8.150 nan 0.000 0.445 275 F N 0.638 120.576 119.950 -0.021 0.000 2.051 275 F HA -0.129 4.398 4.527 -0.000 0.000 0.296 275 F C 1.870 177.659 175.800 -0.017 0.000 1.122 275 F CA 1.798 59.788 58.000 -0.017 0.000 1.201 275 F CB -0.657 38.333 39.000 -0.016 0.000 0.978 275 F HN 0.127 nan 8.300 nan 0.000 0.472 276 L N 0.391 121.444 121.223 -0.282 0.000 2.187 276 L HA -0.190 4.149 4.340 -0.000 0.000 0.213 276 L C 2.150 178.844 176.870 -0.293 0.000 1.100 276 L CA 1.331 55.935 54.840 -0.395 0.000 0.765 276 L CB -0.760 41.220 42.059 -0.131 0.000 0.904 276 L HN 0.312 nan 8.230 nan 0.000 0.437 277 V N -4.552 115.254 119.914 -0.180 0.000 3.608 277 V HA 0.118 4.237 4.120 -0.000 0.000 0.269 277 V C 1.205 177.224 176.094 -0.124 0.000 1.245 277 V CA 0.139 62.365 62.300 -0.123 0.000 1.138 277 V CB -0.597 31.186 31.823 -0.066 0.000 0.841 277 V HN 0.367 nan 8.190 nan 0.000 0.451 278 S N 0.041 115.643 115.700 -0.162 0.000 2.672 278 S HA 0.521 4.991 4.470 -0.000 0.000 0.276 278 S C -1.562 172.954 174.600 -0.141 0.000 1.207 278 S CA -1.111 57.023 58.200 -0.111 0.000 1.002 278 S CB 1.271 64.442 63.200 -0.049 0.000 0.998 278 S HN 0.117 nan 8.310 nan 0.000 0.542 279 P HA -0.059 nan 4.420 nan 0.000 0.219 279 P C 1.435 178.695 177.300 -0.067 0.000 1.146 279 P CA 0.942 64.005 63.100 -0.063 0.000 0.808 279 P CB -0.152 31.532 31.700 -0.026 0.000 0.779 280 L N -1.122 120.074 121.223 -0.046 0.000 2.081 280 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 280 L C 1.954 178.783 176.870 -0.069 0.000 1.080 280 L CA 1.759 56.623 54.840 0.041 0.000 0.754 280 L CB -1.187 41.031 42.059 0.266 0.000 0.893 280 L HN -0.014 nan 8.230 nan 0.000 0.433 281 A N -0.357 122.212 122.820 -0.419 0.000 2.370 281 A HA 0.071 4.391 4.320 -0.000 0.000 0.238 281 A C 2.062 179.512 177.584 -0.223 0.000 1.289 281 A CA 0.545 52.271 52.037 -0.518 0.000 0.885 281 A CB -0.390 18.020 19.000 -0.984 0.000 0.961 281 A HN 0.468 nan 8.150 nan 0.000 0.499 282 S N -0.704 114.919 115.700 -0.128 0.000 2.462 282 S HA -0.052 4.418 4.470 -0.000 0.000 0.243 282 S C 1.360 175.935 174.600 -0.043 0.000 1.003 282 S CA 1.173 59.330 58.200 -0.073 0.000 0.970 282 S CB -0.262 62.912 63.200 -0.044 0.000 0.762 282 S HN 0.991 nan 8.310 nan 0.000 0.510 283 A N 0.277 123.080 122.820 -0.029 0.000 2.503 283 A HA 0.579 4.899 4.320 -0.000 0.000 0.263 283 A C 0.370 177.950 177.584 -0.007 0.000 1.258 283 A CA -0.522 51.510 52.037 -0.008 0.000 0.936 283 A CB 0.082 19.088 19.000 0.009 0.000 1.070 283 A HN 0.519 nan 8.150 nan 0.000 0.522 284 I N 0.702 121.253 120.570 -0.031 0.000 2.328 284 I HA 0.393 4.563 4.170 -0.000 0.000 0.287 284 I C -0.109 175.984 176.117 -0.040 0.000 1.012 284 I CA -0.114 61.170 61.300 -0.027 0.000 1.195 284 I CB 1.693 39.670 38.000 -0.039 0.000 1.350 284 I HN 0.071 nan 8.210 nan 0.000 0.464 285 T N 3.371 117.914 114.554 -0.017 0.000 2.923 285 T HA 0.541 4.890 4.350 -0.000 0.000 0.311 285 T C 0.412 175.110 174.700 -0.003 0.000 1.183 285 T CA 0.335 62.427 62.100 -0.014 0.000 1.020 285 T CB 1.569 70.435 68.868 -0.003 0.000 1.165 285 T HN 0.927 nan 8.240 nan 0.000 0.482 286 G N 1.500 110.295 108.800 -0.009 0.000 2.160 286 G HA2 0.040 4.000 3.960 -0.000 0.000 0.251 286 G HA3 0.040 4.000 3.960 -0.000 0.000 0.251 286 G C 0.315 175.201 174.900 -0.024 0.000 1.008 286 G CA 0.405 45.499 45.100 -0.009 0.000 0.724 286 G HN 1.221 nan 8.290 nan 0.000 0.514 287 A N -0.879 121.921 122.820 -0.033 0.000 2.264 287 A HA 0.872 5.192 4.320 -0.000 0.000 0.304 287 A C 0.453 177.997 177.584 -0.066 0.000 1.100 287 A CA 0.460 52.480 52.037 -0.029 0.000 0.839 287 A CB 1.114 20.110 19.000 -0.007 0.000 1.121 287 A HN 0.746 nan 8.150 nan 0.000 0.496 288 T N 2.656 117.176 114.554 -0.057 0.000 3.150 288 T HA 0.320 4.669 4.350 -0.000 0.000 0.383 288 T C -0.462 174.153 174.700 -0.142 0.000 1.313 288 T CA -0.150 61.860 62.100 -0.151 0.000 1.235 288 T CB -0.301 68.479 68.868 -0.146 0.000 1.088 288 T HN 0.402 nan 8.240 nan 0.000 0.556 289 I N 3.411 123.907 120.570 -0.123 0.000 2.379 289 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 289 I C -0.005 176.049 176.117 -0.104 0.000 1.063 289 I CA -0.877 60.410 61.300 -0.021 0.000 1.351 289 I CB -0.297 37.709 38.000 0.010 0.000 1.410 289 I HN 0.567 nan 8.210 nan 0.000 0.505 290 Y N 5.363 125.647 120.300 -0.027 0.000 2.486 290 Y HA 0.210 4.760 4.550 -0.000 0.000 0.348 290 Y C 0.714 176.599 175.900 -0.024 0.000 1.000 290 Y CA -0.395 57.687 58.100 -0.030 0.000 1.253 290 Y CB 0.686 39.127 38.460 -0.031 0.000 1.140 290 Y HN 0.246 nan 8.280 nan 0.000 0.526 291 V N 4.350 124.295 119.914 0.051 0.000 2.205 291 V HA 0.113 4.233 4.120 -0.000 0.000 0.263 291 V C -0.236 175.889 176.094 0.052 0.000 1.138 291 V CA -0.403 61.915 62.300 0.031 0.000 1.059 291 V CB -0.001 31.803 31.823 -0.031 0.000 1.232 291 V HN 0.859 nan 8.190 nan 0.000 0.469 292 D N 0.680 121.136 120.400 0.093 0.000 2.620 292 D HA 0.089 4.728 4.640 -0.000 0.000 0.260 292 D C 0.427 176.773 176.300 0.077 0.000 1.367 292 D CA -0.590 53.474 54.000 0.105 0.000 0.805 292 D CB -0.064 40.822 40.800 0.145 0.000 1.096 292 D HN 0.253 nan 8.370 nan 0.000 0.488 293 N N 0.669 119.400 118.700 0.052 0.000 2.776 293 N HA -0.140 4.600 4.740 -0.000 0.000 0.250 293 N C 1.220 176.733 175.510 0.005 0.000 1.112 293 N CA 1.306 54.370 53.050 0.023 0.000 0.733 293 N CB -1.647 36.853 38.487 0.021 0.000 1.097 293 N HN 0.683 nan 8.380 nan 0.000 0.558 294 G N -0.790 108.019 108.800 0.014 0.000 2.166 294 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.260 294 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.260 294 G C 0.992 175.876 174.900 -0.026 0.000 0.986 294 G CA 0.739 45.830 45.100 -0.015 0.000 0.683 294 G HN 0.482 nan 8.290 nan 0.000 0.527 295 L N 1.952 123.179 121.223 0.006 0.000 2.043 295 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 295 L C 2.549 179.414 176.870 -0.008 0.000 1.075 295 L CA 3.166 58.016 54.840 0.018 0.000 0.752 295 L CB -0.837 41.270 42.059 0.080 0.000 0.891 295 L HN 0.722 nan 8.230 nan 0.000 0.432 296 N N -2.277 116.398 118.700 -0.042 0.000 2.513 296 N HA -0.163 4.577 4.740 -0.000 0.000 0.187 296 N C 1.297 176.714 175.510 -0.156 0.000 1.056 296 N CA 1.370 54.345 53.050 -0.125 0.000 0.907 296 N CB -0.425 37.886 38.487 -0.293 0.000 0.954 296 N HN 0.281 nan 8.380 nan 0.000 0.445 297 S N -0.693 114.930 115.700 -0.128 0.000 2.524 297 S HA 0.213 4.682 4.470 -0.000 0.000 0.216 297 S C 0.486 175.040 174.600 -0.076 0.000 0.987 297 S CA -0.204 57.926 58.200 -0.117 0.000 0.909 297 S CB -0.028 63.105 63.200 -0.113 0.000 0.781 297 S HN 0.247 nan 8.310 nan 0.000 0.521 298 M N 1.389 120.956 119.600 -0.056 0.000 2.249 298 M HA 0.144 4.624 4.480 -0.000 0.000 0.340 298 M C 1.510 177.795 176.300 -0.024 0.000 1.166 298 M CA 0.036 55.312 55.300 -0.041 0.000 1.115 298 M CB 0.076 32.660 32.600 -0.028 0.000 1.606 298 M HN 0.239 nan 8.290 nan 0.000 0.448 299 G N 2.262 111.047 108.800 -0.026 0.000 3.020 299 G HA2 0.406 4.366 3.960 -0.000 0.000 0.217 299 G HA3 0.406 4.366 3.960 -0.000 0.000 0.217 299 G C 0.042 174.956 174.900 0.023 0.000 1.144 299 G CA 0.321 45.417 45.100 -0.007 0.000 0.760 299 G HN 0.648 nan 8.290 nan 0.000 0.548 300 V N -3.971 115.955 119.914 0.020 0.000 3.167 300 V HA 0.821 4.940 4.120 -0.000 0.000 0.293 300 V C -0.592 175.531 176.094 0.049 0.000 1.379 300 V CA -1.278 61.067 62.300 0.074 0.000 1.019 300 V CB 1.072 32.951 31.823 0.094 0.000 1.115 300 V HN 0.458 nan 8.190 nan 0.000 0.442 301 A N 2.729 125.624 122.820 0.125 0.000 2.409 301 A HA 0.681 5.001 4.320 -0.000 0.000 0.262 301 A C 0.874 178.468 177.584 0.018 0.000 1.113 301 A CA -0.428 51.638 52.037 0.049 0.000 0.790 301 A CB 0.330 19.407 19.000 0.129 0.000 1.046 301 A HN 1.172 nan 8.150 nan 0.000 0.496 302 L N 1.256 122.419 121.223 -0.100 0.000 2.141 302 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 302 L C 1.691 178.561 176.870 -0.001 0.000 1.094 302 L CA 1.419 56.183 54.840 -0.127 0.000 0.763 302 L CB -0.498 41.467 42.059 -0.156 0.000 0.908 302 L HN 0.897 nan 8.230 nan 0.000 0.437 303 D N -0.861 119.531 120.400 -0.013 0.000 2.371 303 D HA -0.085 4.555 4.640 -0.000 0.000 0.234 303 D C 0.975 177.345 176.300 0.116 0.000 1.049 303 D CA 0.055 54.077 54.000 0.036 0.000 0.907 303 D CB -0.212 40.574 40.800 -0.023 0.000 0.891 303 D HN 0.036 nan 8.370 nan 0.000 0.531 304 S N 0.649 116.481 115.700 0.220 0.000 2.549 304 S HA 0.162 4.632 4.470 -0.000 0.000 0.283 304 S C -1.510 173.156 174.600 0.111 0.000 1.320 304 S CA -1.096 57.212 58.200 0.181 0.000 1.058 304 S CB 1.194 64.522 63.200 0.215 0.000 0.882 304 S HN -0.109 nan 8.310 nan 0.000 0.498 305 P HA -0.051 nan 4.420 nan 0.000 0.223 305 P C 1.505 178.753 177.300 -0.087 0.000 1.151 305 P CA 0.755 63.851 63.100 -0.007 0.000 0.787 305 P CB -0.331 31.364 31.700 -0.009 0.000 0.788 306 V N -4.820 114.942 119.914 -0.254 0.000 2.688 306 V HA -0.161 3.959 4.120 -0.000 0.000 0.256 306 V C 0.934 176.809 176.094 -0.365 0.000 1.084 306 V CA 1.258 63.322 62.300 -0.393 0.000 1.103 306 V CB -1.557 29.858 31.823 -0.680 0.000 0.688 306 V HN -0.181 nan 8.190 nan 0.000 0.480 307 F N 0.000 119.952 119.950 0.004 0.000 2.286 307 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 307 F CA 0.000 57.999 58.000 -0.001 0.000 1.383 307 F CB 0.000 38.997 39.000 -0.006 0.000 1.145 307 F HN 0.000 nan 8.300 nan 0.000 0.574