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 1tlt_1_A DATA FIRST_RESID 5 DATA SEQUENCE KLRIGVVGLG GIAQKAWLPV LAAASDWTLQ GAWSPTRAKA LPICESWRIP DATA SEQUENCE YADSLSSLAA SCDAVFVHSS TASHFDVVST LLNAGVHVCV DKPLAENLRD DATA SEQUENCE AERLVELAAR KKLTLMVGFN RRFAPLYGEL KTQLATAASL RMDKHRSNSV DATA SEQUENCE GPHDLYFTLL DDYLHVVDTA LWLSGGKASL DGGTLLTNDA GEMLFAEHHF DATA SEQUENCE SAGPLQITTC MHRRAGSQRE TVQAVTDGAL IDITDMREWR EERGQGVVHK DATA SEQUENCE PIPGWQSTLE QRGFVGCARH FIECVQNQTV PQTAGEQAVL AQRIVDKIWR DATA SEQUENCE DAMS 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.658 176.600 0.096 0.000 0.988 5 K CA 0.000 56.340 56.287 0.088 0.000 0.838 5 K CB 0.000 32.539 32.500 0.066 0.000 1.064 6 L N 1.750 123.039 121.223 0.110 0.000 2.476 6 L HA 0.247 4.587 4.340 -0.000 0.000 0.264 6 L C 0.515 177.461 176.870 0.126 0.000 1.224 6 L CA -0.021 54.869 54.840 0.083 0.000 0.821 6 L CB 0.250 42.327 42.059 0.030 0.000 1.101 6 L HN 0.254 nan 8.230 nan 0.000 0.488 7 R N 1.726 122.282 120.500 0.093 0.000 2.229 7 R HA 0.452 4.792 4.340 -0.000 0.000 0.332 7 R C -0.883 175.481 176.300 0.106 0.000 0.989 7 R CA -0.435 55.726 56.100 0.102 0.000 0.842 7 R CB 0.836 31.175 30.300 0.065 0.000 1.119 7 R HN 0.295 nan 8.270 nan 0.000 0.456 8 I N 2.141 122.794 120.570 0.140 0.000 2.385 8 I HA 0.442 4.612 4.170 -0.000 0.000 0.294 8 I C 0.876 177.056 176.117 0.105 0.000 0.988 8 I CA -0.466 60.912 61.300 0.129 0.000 1.265 8 I CB 1.363 39.412 38.000 0.082 0.000 1.388 8 I HN 0.674 nan 8.210 nan 0.000 0.480 9 G N 4.902 113.767 108.800 0.109 0.000 2.481 9 G HA2 0.665 4.625 3.960 -0.000 0.000 0.315 9 G HA3 0.665 4.625 3.960 -0.000 0.000 0.315 9 G C -1.303 173.641 174.900 0.073 0.000 1.231 9 G CA -0.385 44.754 45.100 0.065 0.000 0.968 9 G HN 0.329 nan 8.290 nan 0.000 0.482 10 V N 0.365 120.302 119.914 0.037 0.000 2.680 10 V HA 0.632 4.752 4.120 -0.000 0.000 0.309 10 V C -0.513 175.619 176.094 0.063 0.000 1.052 10 V CA -0.713 61.601 62.300 0.024 0.000 0.908 10 V CB 2.028 33.829 31.823 -0.037 0.000 1.001 10 V HN 0.558 nan 8.190 nan 0.000 0.431 11 V N 2.468 122.425 119.914 0.072 0.000 2.409 11 V HA 0.887 5.007 4.120 -0.000 0.000 0.290 11 V C 0.284 176.435 176.094 0.095 0.000 1.017 11 V CA 0.119 62.512 62.300 0.156 0.000 0.841 11 V CB 1.148 33.093 31.823 0.204 0.000 1.003 11 V HN 1.364 nan 8.190 nan 0.000 0.426 12 G N 4.681 113.506 108.800 0.042 0.000 3.238 12 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.684 12 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.684 12 G C -0.739 174.178 174.900 0.029 0.000 1.156 12 G CA -0.840 44.248 45.100 -0.020 0.000 1.048 12 G HN 0.646 nan 8.290 nan 0.000 0.462 13 L N 2.125 123.351 121.223 0.004 0.000 2.783 13 L HA 0.435 4.775 4.340 -0.000 0.000 0.236 13 L C 1.728 178.628 176.870 0.051 0.000 1.225 13 L CA 0.418 55.276 54.840 0.029 0.000 1.026 13 L CB 0.354 42.434 42.059 0.035 0.000 1.314 13 L HN 0.773 nan 8.230 nan 0.000 0.489 14 G N -1.302 107.533 108.800 0.057 0.000 2.353 14 G HA2 0.435 4.395 3.960 -0.000 0.000 0.284 14 G HA3 0.435 4.395 3.960 -0.000 0.000 0.284 14 G C 1.058 176.047 174.900 0.147 0.000 1.172 14 G CA 0.199 45.340 45.100 0.068 0.000 0.854 14 G HN 0.382 nan 8.290 nan 0.000 0.485 15 G N 2.865 111.735 108.800 0.117 0.000 2.985 15 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.362 15 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.362 15 G C 1.558 176.528 174.900 0.117 0.000 1.381 15 G CA 1.619 46.791 45.100 0.120 0.000 1.360 15 G HN 0.783 nan 8.290 nan 0.000 0.810 16 I N 2.274 122.950 120.570 0.176 0.000 2.194 16 I HA -0.061 4.109 4.170 -0.000 0.000 0.246 16 I C 3.322 179.433 176.117 -0.010 0.000 1.093 16 I CA 2.227 63.560 61.300 0.055 0.000 1.355 16 I CB -0.952 37.092 38.000 0.073 0.000 1.046 16 I HN 0.513 nan 8.210 nan 0.000 0.413 17 A N 0.251 123.176 122.820 0.175 0.000 1.884 17 A HA -0.328 3.992 4.320 -0.000 0.000 0.219 17 A C 2.299 179.847 177.584 -0.059 0.000 1.197 17 A CA 2.268 54.392 52.037 0.146 0.000 0.637 17 A CB -0.903 18.219 19.000 0.204 0.000 0.827 17 A HN 0.601 nan 8.150 nan 0.000 0.450 18 Q N -1.618 118.159 119.800 -0.038 0.000 2.297 18 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 18 Q C 1.904 177.925 176.000 0.036 0.000 0.962 18 Q CA 1.412 57.199 55.803 -0.028 0.000 0.879 18 Q CB -0.044 28.792 28.738 0.163 0.000 0.947 18 Q HN 0.555 nan 8.270 nan 0.000 0.462 19 K N -0.222 120.153 120.400 -0.042 0.000 2.276 19 K HA 0.140 4.460 4.320 -0.000 0.000 0.198 19 K C 1.167 177.612 176.600 -0.259 0.000 1.052 19 K CA 0.853 57.091 56.287 -0.081 0.000 0.984 19 K CB 0.322 32.779 32.500 -0.071 0.000 0.836 19 K HN 0.153 nan 8.250 nan 0.000 0.490 20 A N -0.956 121.594 122.820 -0.450 0.000 2.121 20 A HA 0.165 4.485 4.320 -0.000 0.000 0.215 20 A C 1.690 178.846 177.584 -0.714 0.000 1.861 20 A CA 0.028 51.517 52.037 -0.913 0.000 0.850 20 A CB -1.123 16.789 19.000 -1.814 0.000 1.346 20 A HN 0.300 nan 8.150 nan 0.000 0.597 21 W N 0.822 121.821 121.300 -0.502 0.000 2.332 21 W HA -0.144 4.516 4.660 -0.000 0.000 0.321 21 W C 2.115 178.416 176.519 -0.363 0.000 1.219 21 W CA 1.189 58.319 57.345 -0.358 0.000 1.277 21 W CB -0.603 28.686 29.460 -0.285 0.000 1.161 21 W HN 0.244 nan 8.180 nan 0.000 0.476 22 L N -0.208 120.889 121.223 -0.209 0.000 2.021 22 L HA -0.240 4.100 4.340 -0.000 0.000 0.215 22 L C -0.482 176.166 176.870 -0.370 0.000 1.074 22 L CA 1.622 56.145 54.840 -0.528 0.000 0.760 22 L CB -2.243 39.061 42.059 -1.258 0.000 0.889 22 L HN -0.063 nan 8.230 nan 0.000 0.433 23 P HA -0.102 nan 4.420 nan 0.000 0.225 23 P C 1.642 178.980 177.300 0.064 0.000 1.148 23 P CA 0.910 64.074 63.100 0.106 0.000 0.779 23 P CB 0.152 31.917 31.700 0.108 0.000 0.780 24 V N -1.185 118.736 119.914 0.011 0.000 2.725 24 V HA -0.040 4.080 4.120 -0.000 0.000 0.247 24 V C 1.920 178.139 176.094 0.208 0.000 1.058 24 V CA 1.231 63.587 62.300 0.093 0.000 1.080 24 V CB -0.731 31.141 31.823 0.082 0.000 0.713 24 V HN 0.066 nan 8.190 nan 0.000 0.465 25 L N -0.182 121.117 121.223 0.127 0.000 2.592 25 L HA 0.276 4.616 4.340 -0.000 0.000 0.227 25 L C 2.108 179.130 176.870 0.253 0.000 1.127 25 L CA 0.634 55.615 54.840 0.234 0.000 0.884 25 L CB -0.318 41.685 42.059 -0.093 0.000 1.065 25 L HN 0.302 nan 8.230 nan 0.000 0.457 26 A N 0.239 123.159 122.820 0.167 0.000 1.920 26 A HA 0.371 4.691 4.320 -0.000 0.000 0.209 26 A C 1.547 179.175 177.584 0.074 0.000 1.229 26 A CA 0.576 52.711 52.037 0.163 0.000 0.671 26 A CB -0.116 19.059 19.000 0.292 0.000 0.886 26 A HN 0.205 nan 8.150 nan 0.000 0.461 27 A N 0.619 123.469 122.820 0.050 0.000 2.915 27 A HA 0.618 4.938 4.320 -0.000 0.000 0.292 27 A C 0.257 177.726 177.584 -0.193 0.000 1.632 27 A CA 0.466 52.478 52.037 -0.041 0.000 1.337 27 A CB -1.298 17.698 19.000 -0.007 0.000 1.111 27 A HN 1.161 nan 8.150 nan 0.000 0.569 28 A N 1.195 123.801 122.820 -0.357 0.000 2.393 28 A HA 0.664 4.984 4.320 -0.000 0.000 0.306 28 A C 0.791 178.010 177.584 -0.608 0.000 1.050 28 A CA 0.129 51.668 52.037 -0.830 0.000 0.724 28 A CB 1.101 19.087 19.000 -1.689 0.000 1.248 28 A HN 1.330 nan 8.150 nan 0.000 0.424 29 S N -0.188 115.165 115.700 -0.579 0.000 2.512 29 S HA 0.090 4.560 4.470 -0.000 0.000 0.216 29 S C 0.541 174.981 174.600 -0.267 0.000 1.006 29 S CA 0.835 58.845 58.200 -0.316 0.000 0.915 29 S CB 0.225 63.303 63.200 -0.203 0.000 0.824 29 S HN 0.683 nan 8.310 nan 0.000 0.497 30 D N 0.290 120.460 120.400 -0.384 0.000 2.407 30 D HA 0.231 4.871 4.640 -0.000 0.000 0.208 30 D C -0.103 176.284 176.300 0.145 0.000 1.083 30 D CA 0.193 54.154 54.000 -0.065 0.000 0.844 30 D CB 0.692 41.555 40.800 0.106 0.000 0.967 30 D HN 0.660 nan 8.370 nan 0.000 0.506 31 W N 0.133 121.441 121.300 0.013 0.000 2.961 31 W HA 0.484 5.144 4.660 0.000 0.000 0.368 31 W C -1.479 175.051 176.519 0.018 0.000 1.213 31 W CA -0.858 56.496 57.345 0.015 0.000 1.173 31 W CB 0.054 29.530 29.460 0.026 0.000 1.487 31 W HN -0.208 nan 8.180 nan 0.000 0.585 32 T N -0.326 114.429 114.554 0.334 0.000 2.952 32 T HA 0.560 4.910 4.350 -0.000 0.000 0.305 32 T C -1.778 173.073 174.700 0.250 0.000 1.064 32 T CA -0.706 61.516 62.100 0.202 0.000 1.008 32 T CB 1.655 70.587 68.868 0.106 0.000 1.078 32 T HN 0.774 nan 8.240 nan 0.000 0.459 33 L N 3.048 124.394 121.223 0.205 0.000 2.313 33 L HA 0.407 4.747 4.340 -0.000 0.000 0.282 33 L C 0.740 177.676 176.870 0.111 0.000 1.092 33 L CA 0.287 55.222 54.840 0.158 0.000 0.831 33 L CB 0.596 42.739 42.059 0.139 0.000 1.159 33 L HN 0.756 nan 8.230 nan 0.000 0.442 34 Q N 4.012 123.867 119.800 0.090 0.000 2.171 34 Q HA 0.470 4.810 4.340 -0.000 0.000 0.218 34 Q C 0.337 176.367 176.000 0.051 0.000 0.822 34 Q CA 0.339 56.183 55.803 0.067 0.000 0.987 34 Q CB 1.454 30.226 28.738 0.057 0.000 1.144 34 Q HN 0.865 nan 8.270 nan 0.000 0.494 35 G N -0.080 108.750 108.800 0.051 0.000 2.313 35 G HA2 0.574 4.534 3.960 -0.000 0.000 0.296 35 G HA3 0.574 4.534 3.960 -0.000 0.000 0.296 35 G C -1.938 172.978 174.900 0.027 0.000 1.356 35 G CA -0.082 45.036 45.100 0.032 0.000 0.833 35 G HN 0.194 nan 8.290 nan 0.000 0.552 36 A N -1.446 121.374 122.820 -0.001 0.000 2.601 36 A HA 0.849 5.169 4.320 -0.000 0.000 0.291 36 A C -2.240 175.327 177.584 -0.029 0.000 1.075 36 A CA 0.041 52.092 52.037 0.023 0.000 0.671 36 A CB 1.458 20.500 19.000 0.070 0.000 1.277 36 A HN 2.273 nan 8.150 nan 0.000 0.417 37 W N 0.808 121.995 121.300 -0.188 0.000 3.827 37 W HA 0.587 5.247 4.660 -0.000 0.000 0.307 37 W C -1.055 175.452 176.519 -0.021 0.000 1.204 37 W CA 0.279 57.480 57.345 -0.241 0.000 1.250 37 W CB 1.528 30.827 29.460 -0.269 0.000 1.281 37 W HN 1.104 nan 8.180 nan 0.000 0.494 38 S N 5.331 120.599 115.700 -0.720 0.000 2.532 38 S HA 0.590 5.060 4.470 -0.000 0.000 0.301 38 S C -2.025 171.750 174.600 -1.375 0.000 1.083 38 S CA -1.538 56.172 58.200 -0.817 0.000 1.025 38 S CB 1.996 65.017 63.200 -0.299 0.000 1.056 38 S HN 0.352 nan 8.310 nan 0.000 0.494 39 P HA 0.115 nan 4.420 nan 0.000 0.242 39 P C 0.623 177.725 177.300 -0.331 0.000 1.197 39 P CA 0.635 63.299 63.100 -0.726 0.000 0.765 39 P CB 0.140 31.626 31.700 -0.356 0.000 0.936 40 T N -1.953 112.421 114.554 -0.299 0.000 3.039 40 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 40 T C 1.281 175.908 174.700 -0.121 0.000 1.052 40 T CA -0.151 61.855 62.100 -0.157 0.000 1.125 40 T CB -0.188 68.604 68.868 -0.126 0.000 0.908 40 T HN 0.012 nan 8.240 nan 0.000 0.473 41 R N 0.251 120.667 120.500 -0.141 0.000 3.997 41 R HA -0.199 4.141 4.340 -0.000 0.000 0.431 41 R C 0.100 176.292 176.300 -0.180 0.000 1.066 41 R CA 0.751 56.771 56.100 -0.132 0.000 1.382 41 R CB -1.703 28.577 30.300 -0.032 0.000 1.978 41 R HN 0.489 nan 8.270 nan 0.000 0.550 42 A N 1.536 124.283 122.820 -0.122 0.000 2.362 42 A HA 0.399 4.719 4.320 -0.000 0.000 0.276 42 A C 0.961 178.489 177.584 -0.093 0.000 1.153 42 A CA 0.428 52.407 52.037 -0.097 0.000 0.813 42 A CB 0.633 19.593 19.000 -0.067 0.000 1.081 42 A HN 0.304 nan 8.150 nan 0.000 0.507 43 K N 0.171 120.519 120.400 -0.088 0.000 3.548 43 K HA -0.340 3.980 4.320 -0.000 0.000 0.310 43 K C 1.491 178.050 176.600 -0.068 0.000 1.282 43 K CA 1.555 57.805 56.287 -0.061 0.000 1.008 43 K CB -2.118 30.365 32.500 -0.029 0.000 1.265 43 K HN 1.165 nan 8.250 nan 0.000 0.430 44 A N 1.404 124.149 122.820 -0.126 0.000 1.883 44 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 44 A C 2.111 179.595 177.584 -0.167 0.000 1.186 44 A CA 1.829 53.791 52.037 -0.126 0.000 0.624 44 A CB -0.257 18.614 19.000 -0.214 0.000 0.822 44 A HN 0.179 nan 8.150 nan 0.000 0.444 45 L N -0.616 120.413 121.223 -0.323 0.000 2.017 45 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 45 L C -0.222 176.625 176.870 -0.038 0.000 1.073 45 L CA 2.175 56.887 54.840 -0.212 0.000 0.745 45 L CB -2.795 39.134 42.059 -0.218 0.000 0.894 45 L HN 0.232 nan 8.230 nan 0.000 0.432 46 P HA -0.085 nan 4.420 nan 0.000 0.217 46 P C 2.165 179.503 177.300 0.063 0.000 1.151 46 P CA 1.097 64.203 63.100 0.010 0.000 0.828 46 P CB 0.145 31.842 31.700 -0.005 0.000 0.788 47 I N -1.012 119.613 120.570 0.091 0.000 2.142 47 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 47 I C 2.206 178.508 176.117 0.309 0.000 1.078 47 I CA 1.454 62.873 61.300 0.198 0.000 1.343 47 I CB -1.040 37.067 38.000 0.179 0.000 1.046 47 I HN 0.028 nan 8.210 nan 0.000 0.405 48 C N 0.448 119.897 119.300 0.247 0.000 2.403 48 C HA -0.189 4.271 4.460 -0.000 0.000 0.277 48 C C 2.791 177.925 174.990 0.240 0.000 1.248 48 C CA 0.904 60.088 59.018 0.276 0.000 1.762 48 C CB -1.108 26.804 27.740 0.286 0.000 2.014 48 C HN 0.526 nan 8.230 nan 0.000 0.486 49 E N 1.111 121.405 120.200 0.156 0.000 2.110 49 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 49 E C 2.140 178.784 176.600 0.072 0.000 0.988 49 E CA 1.360 57.820 56.400 0.100 0.000 0.804 49 E CB -0.080 29.652 29.700 0.054 0.000 0.745 49 E HN 0.625 nan 8.360 nan 0.000 0.458 50 S N -0.055 115.682 115.700 0.061 0.000 2.387 50 S HA -0.172 4.298 4.470 -0.000 0.000 0.230 50 S C 1.086 175.543 174.600 -0.238 0.000 1.035 50 S CA 1.461 59.599 58.200 -0.105 0.000 1.014 50 S CB -0.356 62.772 63.200 -0.121 0.000 0.836 50 S HN 0.436 nan 8.310 nan 0.000 0.466 51 W N 0.885 122.204 121.300 0.032 0.000 3.220 51 W HA 0.423 5.083 4.660 0.000 0.000 0.328 51 W C 0.263 176.805 176.519 0.037 0.000 1.205 51 W CA -0.776 56.589 57.345 0.034 0.000 1.773 51 W CB -0.033 29.453 29.460 0.043 0.000 1.086 51 W HN 0.017 nan 8.180 nan 0.000 0.622 52 R N 0.611 121.226 120.500 0.192 0.000 3.336 52 R HA -0.200 4.140 4.340 -0.000 0.000 0.260 52 R C -0.663 175.734 176.300 0.161 0.000 1.032 52 R CA 0.597 56.779 56.100 0.136 0.000 0.693 52 R CB -2.735 27.622 30.300 0.094 0.000 1.134 52 R HN 0.241 nan 8.270 nan 0.000 0.433 53 I N 1.095 121.780 120.570 0.191 0.000 2.390 53 I HA 0.233 4.402 4.170 -0.000 0.000 0.283 53 I C -2.032 174.180 176.117 0.159 0.000 1.016 53 I CA -2.480 58.921 61.300 0.169 0.000 1.151 53 I CB 1.833 39.940 38.000 0.178 0.000 1.293 53 I HN -0.235 nan 8.210 nan 0.000 0.458 54 P HA -0.144 nan 4.420 nan 0.000 0.255 54 P C -0.793 176.589 177.300 0.137 0.000 1.173 54 P CA 0.332 63.505 63.100 0.121 0.000 0.780 54 P CB -0.137 31.611 31.700 0.080 0.000 0.758 55 Y N 4.156 124.506 120.300 0.085 0.000 2.526 55 Y HA 0.302 4.852 4.550 -0.000 0.000 0.330 55 Y C 0.202 176.171 175.900 0.114 0.000 1.156 55 Y CA -0.304 57.857 58.100 0.102 0.000 1.419 55 Y CB 0.455 38.970 38.460 0.091 0.000 1.250 55 Y HN 0.418 nan 8.280 nan 0.000 0.540 56 A N 5.146 127.583 122.820 -0.638 0.000 2.260 56 A HA 0.211 4.531 4.320 -0.000 0.000 0.314 56 A C 0.619 177.992 177.584 -0.351 0.000 1.257 56 A CA -0.312 51.516 52.037 -0.349 0.000 0.871 56 A CB 0.378 19.234 19.000 -0.241 0.000 1.166 56 A HN 0.949 nan 8.150 nan 0.000 0.522 57 D N 1.679 122.105 120.400 0.042 0.000 2.264 57 D HA -0.034 4.606 4.640 -0.000 0.000 0.208 57 D C 0.766 177.201 176.300 0.225 0.000 0.966 57 D CA 1.857 56.036 54.000 0.298 0.000 0.864 57 D CB 0.294 41.235 40.800 0.235 0.000 0.933 57 D HN 0.476 nan 8.370 nan 0.000 0.499 58 S N -1.773 113.878 115.700 -0.081 0.000 2.595 58 S HA 0.336 4.806 4.470 -0.000 0.000 0.281 58 S C 0.679 174.842 174.600 -0.728 0.000 1.117 58 S CA -0.921 57.073 58.200 -0.342 0.000 0.873 58 S CB 0.840 63.929 63.200 -0.185 0.000 1.108 58 S HN 0.084 nan 8.310 nan 0.000 0.477 59 L N 2.062 122.693 121.223 -0.987 0.000 1.976 59 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 59 L C 2.468 179.062 176.870 -0.461 0.000 1.071 59 L CA 1.431 55.738 54.840 -0.889 0.000 0.746 59 L CB -0.676 40.875 42.059 -0.846 0.000 0.890 59 L HN 0.705 nan 8.230 nan 0.000 0.432 60 S N -0.916 114.578 115.700 -0.343 0.000 2.488 60 S HA -0.191 4.279 4.470 -0.000 0.000 0.246 60 S C 2.067 176.559 174.600 -0.181 0.000 0.992 60 S CA 1.397 59.465 58.200 -0.221 0.000 0.963 60 S CB -0.197 62.901 63.200 -0.170 0.000 0.754 60 S HN 0.465 nan 8.310 nan 0.000 0.519 61 S N 0.945 116.522 115.700 -0.205 0.000 2.387 61 S HA 0.119 4.589 4.470 -0.000 0.000 0.221 61 S C 1.741 176.253 174.600 -0.146 0.000 1.041 61 S CA 0.354 58.466 58.200 -0.145 0.000 0.959 61 S CB -0.308 62.817 63.200 -0.125 0.000 0.843 61 S HN 0.424 nan 8.310 nan 0.000 0.488 62 L N 1.854 122.955 121.223 -0.204 0.000 2.083 62 L HA 0.167 4.507 4.340 -0.000 0.000 0.209 62 L C 2.443 179.238 176.870 -0.126 0.000 1.083 62 L CA 1.948 56.693 54.840 -0.158 0.000 0.752 62 L CB -0.799 41.148 42.059 -0.187 0.000 0.899 62 L HN 0.365 nan 8.230 nan 0.000 0.433 63 A N -0.238 122.487 122.820 -0.158 0.000 1.873 63 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 63 A C 2.411 179.937 177.584 -0.098 0.000 1.186 63 A CA 1.389 53.349 52.037 -0.130 0.000 0.616 63 A CB -1.191 17.714 19.000 -0.159 0.000 0.823 63 A HN 0.548 nan 8.150 nan 0.000 0.442 64 A N -0.041 122.720 122.820 -0.099 0.000 2.186 64 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 64 A C 2.026 179.578 177.584 -0.053 0.000 1.159 64 A CA 1.964 53.956 52.037 -0.074 0.000 0.680 64 A CB -0.581 18.376 19.000 -0.071 0.000 0.787 64 A HN 1.111 nan 8.150 nan 0.000 0.467 65 S N -3.149 112.521 115.700 -0.050 0.000 2.730 65 S HA 0.402 4.872 4.470 -0.000 0.000 0.244 65 S C 0.134 174.726 174.600 -0.013 0.000 1.022 65 S CA -0.180 58.004 58.200 -0.027 0.000 1.014 65 S CB -0.731 62.455 63.200 -0.022 0.000 0.963 65 S HN 0.378 nan 8.310 nan 0.000 0.540 66 C N 0.331 119.619 119.300 -0.021 0.000 3.108 66 C HA 0.668 5.128 4.460 -0.000 0.000 0.321 66 C C 0.416 175.406 174.990 0.000 0.000 1.357 66 C CA -0.574 58.444 59.018 0.001 0.000 1.562 66 C CB 2.022 29.765 27.740 0.004 0.000 2.003 66 C HN 0.460 nan 8.230 nan 0.000 0.460 67 D N -0.243 120.173 120.400 0.028 0.000 2.531 67 D HA 0.315 4.955 4.640 -0.000 0.000 0.263 67 D C 0.070 176.417 176.300 0.078 0.000 1.057 67 D CA 0.649 54.673 54.000 0.040 0.000 0.909 67 D CB 0.661 41.493 40.800 0.054 0.000 1.236 67 D HN 0.660 nan 8.370 nan 0.000 0.494 68 A N 0.716 123.590 122.820 0.089 0.000 2.455 68 A HA 0.613 4.933 4.320 -0.000 0.000 0.300 68 A C -1.159 176.520 177.584 0.159 0.000 1.040 68 A CA -0.479 51.648 52.037 0.150 0.000 0.697 68 A CB 1.928 20.987 19.000 0.099 0.000 1.265 68 A HN -0.108 nan 8.150 nan 0.000 0.407 69 V N 1.895 121.861 119.914 0.086 0.000 2.588 69 V HA 0.481 4.601 4.120 -0.000 0.000 0.304 69 V C -1.252 174.720 176.094 -0.204 0.000 1.042 69 V CA -0.372 61.938 62.300 0.016 0.000 0.877 69 V CB 1.459 33.255 31.823 -0.045 0.000 0.996 69 V HN 0.724 nan 8.190 nan 0.000 0.425 70 F N 3.695 123.471 119.950 -0.289 0.000 2.390 70 F HA 0.457 4.984 4.527 0.000 0.000 0.361 70 F C 0.333 175.893 175.800 -0.400 0.000 1.124 70 F CA -0.456 57.238 58.000 -0.510 0.000 1.149 70 F CB 1.326 39.941 39.000 -0.643 0.000 1.160 70 F HN 0.173 nan 8.300 nan 0.000 0.501 71 V N 3.724 123.452 119.914 -0.310 0.000 2.465 71 V HA 0.241 4.361 4.120 -0.000 0.000 0.279 71 V C -0.605 175.426 176.094 -0.104 0.000 1.045 71 V CA -0.525 61.666 62.300 -0.182 0.000 0.938 71 V CB 1.178 32.856 31.823 -0.240 0.000 0.986 71 V HN 0.700 nan 8.190 nan 0.000 0.467 72 H N 3.124 122.156 119.070 -0.063 0.000 2.661 72 H HA 0.521 5.077 4.556 -0.000 0.000 0.243 72 H C -0.491 174.916 175.328 0.132 0.000 1.410 72 H CA 0.039 56.121 56.048 0.057 0.000 1.509 72 H CB 0.622 30.401 29.762 0.028 0.000 1.761 72 H HN 0.752 nan 8.280 nan 0.000 0.576 73 S N 1.310 117.010 115.700 -0.001 0.000 2.651 73 S HA 0.500 4.970 4.470 -0.000 0.000 0.279 73 S C -0.569 173.953 174.600 -0.130 0.000 1.148 73 S CA -0.501 57.635 58.200 -0.107 0.000 0.837 73 S CB 0.871 64.069 63.200 -0.003 0.000 1.138 73 S HN 0.829 nan 8.310 nan 0.000 0.478 74 S N 0.804 116.415 115.700 -0.147 0.000 3.332 74 S HA -0.047 4.423 4.470 -0.000 0.000 0.395 74 S C 1.159 175.565 174.600 -0.324 0.000 1.180 74 S CA 0.344 58.447 58.200 -0.161 0.000 0.985 74 S CB -0.909 62.222 63.200 -0.115 0.000 0.694 74 S HN 0.817 nan 8.310 nan 0.000 0.502 75 T N 3.795 118.121 114.554 -0.380 0.000 2.751 75 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 75 T C 2.102 176.581 174.700 -0.367 0.000 1.045 75 T CA 1.827 63.540 62.100 -0.645 0.000 1.142 75 T CB -0.718 67.957 68.868 -0.320 0.000 0.851 75 T HN 0.928 nan 8.240 nan 0.000 0.474 76 A N 1.758 124.483 122.820 -0.159 0.000 1.873 76 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 76 A C 2.536 180.135 177.584 0.025 0.000 1.186 76 A CA 1.971 53.983 52.037 -0.042 0.000 0.616 76 A CB -0.873 18.116 19.000 -0.018 0.000 0.823 76 A HN 0.619 nan 8.150 nan 0.000 0.442 77 S N -0.886 114.823 115.700 0.015 0.000 2.547 77 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 77 S C 1.477 176.185 174.600 0.179 0.000 0.980 77 S CA 1.047 59.305 58.200 0.098 0.000 0.941 77 S CB -1.044 62.213 63.200 0.096 0.000 0.763 77 S HN 0.743 nan 8.310 nan 0.000 0.532 78 H N -0.065 119.041 119.070 0.061 0.000 2.265 78 H HA -0.120 4.436 4.556 -0.000 0.000 0.295 78 H C 1.877 177.245 175.328 0.067 0.000 1.084 78 H CA 1.742 57.815 56.048 0.041 0.000 1.261 78 H CB -0.305 29.469 29.762 0.019 0.000 1.360 78 H HN 0.509 nan 8.280 nan 0.000 0.487 79 F N 2.201 122.218 119.950 0.111 0.000 2.025 79 F HA -0.283 4.244 4.527 0.000 0.000 0.297 79 F C 1.989 177.802 175.800 0.023 0.000 1.132 79 F CA 1.949 59.974 58.000 0.042 0.000 1.191 79 F CB -0.576 38.441 39.000 0.029 0.000 0.963 79 F HN 0.066 nan 8.300 nan 0.000 0.481 80 D N -0.064 120.329 120.400 -0.011 0.000 2.158 80 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 80 D C 2.438 178.640 176.300 -0.164 0.000 0.995 80 D CA 1.678 55.594 54.000 -0.139 0.000 0.846 80 D CB -0.522 40.299 40.800 0.035 0.000 0.941 80 D HN 0.274 nan 8.370 nan 0.000 0.456 81 V N -0.020 119.852 119.914 -0.069 0.000 2.346 81 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 81 V C 2.556 178.554 176.094 -0.159 0.000 1.037 81 V CA 0.812 63.064 62.300 -0.079 0.000 1.029 81 V CB -0.326 31.521 31.823 0.040 0.000 0.663 81 V HN 0.057 nan 8.190 nan 0.000 0.454 82 V N 1.268 121.081 119.914 -0.169 0.000 2.261 82 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 82 V C 2.775 178.722 176.094 -0.245 0.000 1.047 82 V CA 2.364 64.545 62.300 -0.197 0.000 1.015 82 V CB -1.075 30.650 31.823 -0.164 0.000 0.642 82 V HN 0.743 nan 8.190 nan 0.000 0.446 83 S N -0.229 115.244 115.700 -0.378 0.000 2.370 83 S HA -0.271 4.199 4.470 -0.000 0.000 0.226 83 S C 1.927 176.363 174.600 -0.275 0.000 1.033 83 S CA 2.157 60.123 58.200 -0.390 0.000 1.011 83 S CB -1.021 61.768 63.200 -0.685 0.000 0.852 83 S HN 0.588 nan 8.310 nan 0.000 0.457 84 T N 3.090 117.485 114.554 -0.267 0.000 2.674 84 T HA 0.091 4.441 4.350 -0.000 0.000 0.265 84 T C 1.762 176.346 174.700 -0.193 0.000 1.039 84 T CA 1.231 63.204 62.100 -0.211 0.000 1.150 84 T CB -0.468 68.274 68.868 -0.210 0.000 0.864 84 T HN 0.163 nan 8.240 nan 0.000 0.427 85 L N 0.721 121.825 121.223 -0.198 0.000 2.129 85 L HA -0.035 4.305 4.340 -0.000 0.000 0.212 85 L C 2.346 179.117 176.870 -0.164 0.000 1.087 85 L CA 1.574 56.306 54.840 -0.179 0.000 0.757 85 L CB -1.187 40.769 42.059 -0.172 0.000 0.896 85 L HN 0.343 nan 8.230 nan 0.000 0.434 86 L N -0.674 120.450 121.223 -0.164 0.000 2.240 86 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 86 L C 1.932 178.720 176.870 -0.137 0.000 1.106 86 L CA 0.464 55.216 54.840 -0.147 0.000 0.793 86 L CB -0.324 41.656 42.059 -0.132 0.000 0.927 86 L HN 0.322 nan 8.230 nan 0.000 0.446 87 N N 0.258 118.875 118.700 -0.139 0.000 2.494 87 N HA -0.008 4.732 4.740 -0.000 0.000 0.182 87 N C 1.185 176.626 175.510 -0.115 0.000 1.076 87 N CA 0.895 53.874 53.050 -0.118 0.000 0.908 87 N CB 0.274 38.691 38.487 -0.117 0.000 0.967 87 N HN 0.204 nan 8.380 nan 0.000 0.449 88 A N -0.044 122.698 122.820 -0.130 0.000 2.545 88 A HA 0.478 4.798 4.320 -0.000 0.000 0.277 88 A C 1.151 178.657 177.584 -0.131 0.000 1.301 88 A CA 0.054 52.016 52.037 -0.124 0.000 0.935 88 A CB -0.409 18.512 19.000 -0.132 0.000 1.093 88 A HN 0.144 nan 8.150 nan 0.000 0.519 89 G N -0.397 108.315 108.800 -0.146 0.000 2.366 89 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.299 89 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.299 89 G C -0.113 174.645 174.900 -0.238 0.000 1.020 89 G CA 0.547 45.537 45.100 -0.183 0.000 1.026 89 G HN 1.008 nan 8.290 nan 0.000 0.512 90 V N 1.966 121.739 119.914 -0.235 0.000 2.483 90 V HA 0.365 4.485 4.120 -0.000 0.000 0.297 90 V C 0.424 176.398 176.094 -0.200 0.000 1.027 90 V CA -1.493 60.682 62.300 -0.208 0.000 0.855 90 V CB 1.506 33.254 31.823 -0.124 0.000 0.995 90 V HN 0.429 nan 8.190 nan 0.000 0.424 91 H N 2.773 121.820 119.070 -0.038 0.000 2.848 91 H HA 0.420 4.976 4.556 -0.000 0.000 0.341 91 H C -0.169 175.217 175.328 0.097 0.000 1.060 91 H CA 0.252 56.308 56.048 0.014 0.000 1.444 91 H CB 2.044 31.771 29.762 -0.059 0.000 1.446 91 H HN 0.468 nan 8.280 nan 0.000 0.583 92 V N 3.258 123.250 119.914 0.130 0.000 2.823 92 V HA 0.255 4.375 4.120 -0.000 0.000 0.312 92 V C -0.863 174.884 176.094 -0.578 0.000 1.072 92 V CA -0.673 61.519 62.300 -0.181 0.000 0.937 92 V CB 2.283 33.975 31.823 -0.219 0.000 1.013 92 V HN 0.919 nan 8.190 nan 0.000 0.430 93 C N 7.132 125.746 119.300 -1.142 0.000 2.294 93 C HA 0.707 5.167 4.460 -0.000 0.000 0.319 93 C C -0.032 174.445 174.990 -0.856 0.000 1.164 93 C CA -0.590 57.611 59.018 -1.362 0.000 1.497 93 C CB -0.574 25.719 27.740 -2.412 0.000 2.061 93 C HN 0.798 nan 8.230 nan 0.000 0.438 94 V N 4.391 123.946 119.914 -0.597 0.000 3.133 94 V HA 0.309 4.429 4.120 -0.000 0.000 0.305 94 V C 0.438 176.266 176.094 -0.444 0.000 1.084 94 V CA -0.210 61.776 62.300 -0.524 0.000 1.089 94 V CB 0.921 32.460 31.823 -0.473 0.000 1.073 94 V HN 0.738 nan 8.190 nan 0.000 0.477 95 D N 1.893 122.072 120.400 -0.368 0.000 2.317 95 D HA 0.213 4.853 4.640 -0.000 0.000 0.234 95 D C 0.673 176.940 176.300 -0.056 0.000 1.112 95 D CA -0.263 53.691 54.000 -0.078 0.000 0.840 95 D CB 0.939 41.886 40.800 0.245 0.000 1.078 95 D HN 0.696 nan 8.370 nan 0.000 0.486 96 K N 2.470 122.740 120.400 -0.218 0.000 2.836 96 K HA -0.237 4.083 4.320 -0.000 0.000 0.175 96 K C -1.960 174.490 176.600 -0.249 0.000 0.789 96 K CA 1.485 57.558 56.287 -0.357 0.000 0.485 96 K CB -1.928 30.460 32.500 -0.187 0.000 0.744 96 K HN 0.372 nan 8.250 nan 0.000 0.798 97 P HA -0.004 nan 4.420 nan 0.000 0.264 97 P C 0.684 178.015 177.300 0.052 0.000 1.229 97 P CA 0.557 63.631 63.100 -0.044 0.000 0.780 97 P CB 0.350 31.989 31.700 -0.102 0.000 0.808 98 L N 2.750 123.951 121.223 -0.037 0.000 1.997 98 L HA -0.175 4.165 4.340 -0.000 0.000 0.216 98 L C 0.849 177.765 176.870 0.076 0.000 1.074 98 L CA 2.005 56.819 54.840 -0.044 0.000 0.763 98 L CB -0.198 41.842 42.059 -0.032 0.000 0.890 98 L HN 0.419 nan 8.230 nan 0.000 0.434 99 A N -2.092 120.784 122.820 0.094 0.000 2.587 99 A HA 0.250 4.570 4.320 -0.000 0.000 0.293 99 A C 0.486 178.086 177.584 0.027 0.000 1.087 99 A CA -0.357 51.756 52.037 0.126 0.000 0.692 99 A CB 1.254 20.332 19.000 0.130 0.000 1.291 99 A HN 0.213 nan 8.150 nan 0.000 0.407 100 E N 0.388 120.589 120.200 0.002 0.000 2.110 100 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 100 E C 0.058 176.645 176.600 -0.021 0.000 0.988 100 E CA 1.390 57.754 56.400 -0.061 0.000 0.804 100 E CB -0.038 29.644 29.700 -0.030 0.000 0.745 100 E HN 0.645 nan 8.360 nan 0.000 0.458 101 N N 0.054 118.740 118.700 -0.023 0.000 2.405 101 N HA 0.087 4.827 4.740 -0.000 0.000 0.299 101 N C 0.327 175.820 175.510 -0.029 0.000 1.075 101 N CA -0.421 52.621 53.050 -0.014 0.000 0.884 101 N CB 1.368 39.816 38.487 -0.066 0.000 1.194 101 N HN -0.036 nan 8.380 nan 0.000 0.491 102 L N 1.772 122.996 121.223 0.002 0.000 1.970 102 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 102 L C 2.120 178.981 176.870 -0.015 0.000 1.071 102 L CA 1.842 56.686 54.840 0.006 0.000 0.751 102 L CB -0.511 41.565 42.059 0.030 0.000 0.889 102 L HN 0.682 nan 8.230 nan 0.000 0.432 103 R N -0.285 120.196 120.500 -0.032 0.000 2.103 103 R HA -0.220 4.120 4.340 -0.000 0.000 0.242 103 R C 1.814 178.067 176.300 -0.078 0.000 1.142 103 R CA 2.079 58.153 56.100 -0.044 0.000 0.960 103 R CB -0.139 30.130 30.300 -0.052 0.000 0.858 103 R HN 0.460 nan 8.270 nan 0.000 0.439 104 D N -0.118 120.183 120.400 -0.164 0.000 2.104 104 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 104 D C 1.751 178.032 176.300 -0.030 0.000 0.994 104 D CA 1.646 55.469 54.000 -0.295 0.000 0.830 104 D CB -0.180 40.302 40.800 -0.530 0.000 0.959 104 D HN 0.317 nan 8.370 nan 0.000 0.452 105 A N 0.736 123.557 122.820 0.002 0.000 1.883 105 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 105 A C 2.045 179.662 177.584 0.056 0.000 1.186 105 A CA 1.861 53.928 52.037 0.051 0.000 0.624 105 A CB -0.702 18.314 19.000 0.027 0.000 0.822 105 A HN 0.225 nan 8.150 nan 0.000 0.444 106 E N -0.653 119.568 120.200 0.035 0.000 2.110 106 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 106 E C 2.327 178.959 176.600 0.054 0.000 0.988 106 E CA 1.026 57.449 56.400 0.037 0.000 0.804 106 E CB -0.164 29.550 29.700 0.024 0.000 0.745 106 E HN 0.538 nan 8.360 nan 0.000 0.458 107 R N 0.522 121.064 120.500 0.070 0.000 2.094 107 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 107 R C 2.492 178.873 176.300 0.136 0.000 1.137 107 R CA 1.322 57.490 56.100 0.115 0.000 0.943 107 R CB -0.564 29.839 30.300 0.172 0.000 0.850 107 R HN 0.196 nan 8.270 nan 0.000 0.433 108 L N 0.357 121.686 121.223 0.177 0.000 2.042 108 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 108 L C 2.494 179.388 176.870 0.040 0.000 1.076 108 L CA 1.073 55.972 54.840 0.100 0.000 0.749 108 L CB -0.530 41.590 42.059 0.101 0.000 0.893 108 L HN 0.064 nan 8.230 nan 0.000 0.432 109 V N -0.238 119.701 119.914 0.042 0.000 2.295 109 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 109 V C 2.407 178.515 176.094 0.023 0.000 1.049 109 V CA 1.907 64.222 62.300 0.025 0.000 1.024 109 V CB -0.475 31.366 31.823 0.029 0.000 0.648 109 V HN 0.389 nan 8.190 nan 0.000 0.447 110 E N -0.011 120.208 120.200 0.030 0.000 2.051 110 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 110 E C 1.974 178.583 176.600 0.016 0.000 0.991 110 E CA 1.196 57.611 56.400 0.024 0.000 0.799 110 E CB -0.504 29.213 29.700 0.029 0.000 0.748 110 E HN 0.432 nan 8.360 nan 0.000 0.449 111 L N 0.225 121.459 121.223 0.018 0.000 2.187 111 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 111 L C 1.887 178.746 176.870 -0.018 0.000 1.100 111 L CA 2.003 56.842 54.840 -0.002 0.000 0.765 111 L CB -0.539 41.515 42.059 -0.008 0.000 0.904 111 L HN 0.121 nan 8.230 nan 0.000 0.437 112 A N -1.020 121.793 122.820 -0.012 0.000 1.975 112 A HA 0.191 4.511 4.320 -0.000 0.000 0.215 112 A C 2.413 179.994 177.584 -0.005 0.000 1.170 112 A CA 1.055 53.083 52.037 -0.016 0.000 0.656 112 A CB -0.817 18.179 19.000 -0.008 0.000 0.821 112 A HN 0.512 nan 8.150 nan 0.000 0.449 113 A N 0.455 123.277 122.820 0.004 0.000 1.873 113 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 113 A C 2.250 179.834 177.584 0.000 0.000 1.186 113 A CA 1.387 53.428 52.037 0.007 0.000 0.616 113 A CB -0.456 18.551 19.000 0.012 0.000 0.823 113 A HN 0.534 nan 8.150 nan 0.000 0.442 114 R N -0.572 119.926 120.500 -0.003 0.000 2.070 114 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 114 R C 2.006 178.296 176.300 -0.017 0.000 1.138 114 R CA 1.643 57.738 56.100 -0.008 0.000 0.936 114 R CB -0.429 29.866 30.300 -0.008 0.000 0.839 114 R HN 0.224 nan 8.270 nan 0.000 0.429 115 K N 1.167 121.551 120.400 -0.027 0.000 2.520 115 K HA -0.079 4.241 4.320 -0.000 0.000 0.197 115 K C 0.005 176.580 176.600 -0.042 0.000 1.043 115 K CA 0.795 57.056 56.287 -0.044 0.000 0.944 115 K CB -0.175 32.287 32.500 -0.063 0.000 0.770 115 K HN 0.136 nan 8.250 nan 0.000 0.480 116 K N -0.134 120.253 120.400 -0.021 0.000 3.150 116 K HA -0.212 4.108 4.320 -0.000 0.000 0.267 116 K C -0.829 175.776 176.600 0.008 0.000 1.028 116 K CA 0.398 56.682 56.287 -0.004 0.000 0.753 116 K CB -1.737 30.760 32.500 -0.005 0.000 1.288 116 K HN 0.154 nan 8.250 nan 0.000 0.473 117 L N -0.373 120.853 121.223 0.006 0.000 2.303 117 L HA 0.370 4.710 4.340 -0.000 0.000 0.266 117 L C 0.621 177.591 176.870 0.166 0.000 1.011 117 L CA -0.923 53.940 54.840 0.039 0.000 0.818 117 L CB 2.023 44.015 42.059 -0.111 0.000 1.326 117 L HN -0.074 nan 8.230 nan 0.000 0.435 118 T N 2.954 117.756 114.554 0.415 0.000 2.747 118 T HA 0.397 4.747 4.350 -0.000 0.000 0.301 118 T C -0.570 174.250 174.700 0.199 0.000 0.952 118 T CA -0.126 62.094 62.100 0.199 0.000 0.983 118 T CB 0.315 69.177 68.868 -0.011 0.000 0.930 118 T HN 0.172 nan 8.240 nan 0.000 0.494 119 L N 6.909 128.190 121.223 0.096 0.000 2.316 119 L HA 0.710 5.050 4.340 -0.000 0.000 0.280 119 L C -0.469 176.397 176.870 -0.007 0.000 1.006 119 L CA -0.520 54.333 54.840 0.023 0.000 0.836 119 L CB 0.712 42.761 42.059 -0.015 0.000 1.221 119 L HN 0.691 nan 8.230 nan 0.000 0.418 120 M N 3.892 123.445 119.600 -0.078 0.000 2.658 120 M HA 0.749 5.229 4.480 -0.000 0.000 0.295 120 M C -1.509 174.657 176.300 -0.223 0.000 1.248 120 M CA -0.931 54.320 55.300 -0.083 0.000 0.843 120 M CB 2.072 34.684 32.600 0.020 0.000 1.749 120 M HN 0.142 nan 8.290 nan 0.000 0.464 121 V N 1.385 121.186 119.914 -0.189 0.000 2.481 121 V HA 0.515 4.635 4.120 -0.000 0.000 0.286 121 V C 0.783 176.677 176.094 -0.334 0.000 1.042 121 V CA -0.341 61.748 62.300 -0.352 0.000 0.928 121 V CB 1.476 33.012 31.823 -0.478 0.000 0.986 121 V HN 1.023 nan 8.190 nan 0.000 0.462 122 G N 3.896 112.491 108.800 -0.342 0.000 2.916 122 G HA2 0.242 4.202 3.960 -0.000 0.000 0.280 122 G HA3 0.242 4.202 3.960 -0.000 0.000 0.280 122 G C -0.177 174.724 174.900 0.001 0.000 0.758 122 G CA -0.173 44.880 45.100 -0.078 0.000 1.993 122 G HN 0.632 nan 8.290 nan 0.000 0.564 123 F N 1.784 121.822 119.950 0.147 0.000 2.606 123 F HA 0.077 4.604 4.527 -0.000 0.000 0.347 123 F C 1.801 177.646 175.800 0.074 0.000 1.207 123 F CA -0.838 57.212 58.000 0.083 0.000 1.306 123 F CB 0.126 39.097 39.000 -0.048 0.000 1.657 123 F HN 0.650 nan 8.300 nan 0.000 0.606 124 N N 0.765 119.571 118.700 0.177 0.000 2.144 124 N HA -0.311 4.429 4.740 -0.000 0.000 0.195 124 N C 1.611 177.083 175.510 -0.063 0.000 1.006 124 N CA 1.489 54.495 53.050 -0.073 0.000 0.880 124 N CB -0.212 37.806 38.487 -0.781 0.000 1.018 124 N HN 0.404 nan 8.380 nan 0.000 0.443 125 R N -0.013 120.450 120.500 -0.061 0.000 2.193 125 R HA 0.078 4.418 4.340 -0.000 0.000 0.229 125 R C 1.903 178.168 176.300 -0.059 0.000 1.110 125 R CA 0.875 56.977 56.100 0.004 0.000 0.988 125 R CB -0.138 30.236 30.300 0.123 0.000 0.871 125 R HN 0.392 nan 8.270 nan 0.000 0.458 126 R N -0.452 119.773 120.500 -0.457 0.000 2.316 126 R HA -0.041 4.299 4.340 -0.000 0.000 0.202 126 R C 0.484 176.118 176.300 -1.110 0.000 1.029 126 R CA 0.786 56.079 56.100 -1.345 0.000 1.018 126 R CB 0.197 29.448 30.300 -1.748 0.000 0.888 126 R HN 0.205 nan 8.270 nan 0.000 0.471 127 F N -0.343 119.486 119.950 -0.202 0.000 2.654 127 F HA 0.342 4.869 4.527 -0.000 0.000 0.303 127 F C 0.665 176.470 175.800 0.008 0.000 1.099 127 F CA -0.656 57.302 58.000 -0.070 0.000 1.270 127 F CB 0.511 39.470 39.000 -0.068 0.000 1.024 127 F HN -0.168 nan 8.300 nan 0.000 0.548 128 A N 1.194 124.077 122.820 0.105 0.000 2.404 128 A HA 0.354 4.674 4.320 -0.000 0.000 0.273 128 A C -1.521 176.153 177.584 0.149 0.000 1.144 128 A CA -1.194 50.878 52.037 0.059 0.000 0.806 128 A CB 0.194 19.081 19.000 -0.188 0.000 1.080 128 A HN 0.071 nan 8.150 nan 0.000 0.509 129 P HA -0.246 nan 4.420 nan 0.000 0.217 129 P C 1.438 178.818 177.300 0.132 0.000 1.162 129 P CA 1.352 64.542 63.100 0.149 0.000 0.901 129 P CB 0.019 31.809 31.700 0.149 0.000 0.793 130 L N -2.923 118.392 121.223 0.152 0.000 2.083 130 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 130 L C 2.617 179.749 176.870 0.437 0.000 1.083 130 L CA 1.578 56.580 54.840 0.270 0.000 0.752 130 L CB -0.880 41.358 42.059 0.299 0.000 0.899 130 L HN 0.087 nan 8.230 nan 0.000 0.433 131 Y N -0.371 120.074 120.300 0.241 0.000 2.263 131 Y HA -0.144 4.406 4.550 0.000 0.000 0.292 131 Y C 2.586 178.614 175.900 0.213 0.000 1.130 131 Y CA 0.338 58.578 58.100 0.234 0.000 1.179 131 Y CB -0.281 38.357 38.460 0.296 0.000 0.998 131 Y HN 0.222 nan 8.280 nan 0.000 0.532 132 G N -0.193 108.868 108.800 0.435 0.000 2.421 132 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 132 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 132 G C 1.285 176.273 174.900 0.147 0.000 1.143 132 G CA 0.949 46.234 45.100 0.308 0.000 0.784 132 G HN 0.311 nan 8.290 nan 0.000 0.541 133 E N 0.288 120.590 120.200 0.170 0.000 2.072 133 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 133 E C 2.249 178.978 176.600 0.215 0.000 0.985 133 E CA 0.730 57.191 56.400 0.102 0.000 0.801 133 E CB -0.440 29.256 29.700 -0.008 0.000 0.750 133 E HN 0.272 nan 8.360 nan 0.000 0.452 134 L N 1.065 122.504 121.223 0.359 0.000 2.093 134 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 134 L C 2.219 179.107 176.870 0.029 0.000 1.085 134 L CA 1.902 56.909 54.840 0.279 0.000 0.755 134 L CB -0.519 41.642 42.059 0.169 0.000 0.904 134 L HN 0.104 nan 8.230 nan 0.000 0.435 135 K N -0.954 119.387 120.400 -0.099 0.000 2.360 135 K HA -0.169 4.151 4.320 -0.000 0.000 0.201 135 K C 1.551 178.052 176.600 -0.165 0.000 1.046 135 K CA 1.625 57.744 56.287 -0.281 0.000 0.940 135 K CB -0.169 31.993 32.500 -0.564 0.000 0.748 135 K HN 0.644 nan 8.250 nan 0.000 0.465 136 T N -2.344 112.173 114.554 -0.062 0.000 3.107 136 T HA 0.087 4.437 4.350 -0.000 0.000 0.249 136 T C 1.272 175.965 174.700 -0.011 0.000 1.096 136 T CA -0.031 62.047 62.100 -0.037 0.000 1.012 136 T CB 0.359 69.220 68.868 -0.012 0.000 0.977 136 T HN 0.098 nan 8.240 nan 0.000 0.527 137 Q N 0.401 120.208 119.800 0.011 0.000 2.281 137 Q HA 0.388 4.728 4.340 -0.000 0.000 0.215 137 Q C 1.512 177.502 176.000 -0.016 0.000 0.867 137 Q CA 0.158 55.978 55.803 0.027 0.000 0.940 137 Q CB 0.339 29.141 28.738 0.107 0.000 1.111 137 Q HN 0.539 nan 8.270 nan 0.000 0.513 138 L N 0.451 121.641 121.223 -0.055 0.000 2.645 138 L HA 0.245 4.585 4.340 -0.000 0.000 0.234 138 L C 1.834 178.662 176.870 -0.070 0.000 1.165 138 L CA -0.002 54.792 54.840 -0.077 0.000 0.944 138 L CB -0.471 41.515 42.059 -0.121 0.000 1.149 138 L HN 0.006 nan 8.230 nan 0.000 0.446 139 A N 0.624 123.412 122.820 -0.054 0.000 1.940 139 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 139 A C 2.133 179.694 177.584 -0.039 0.000 1.176 139 A CA 2.298 54.308 52.037 -0.046 0.000 0.631 139 A CB -0.523 18.457 19.000 -0.034 0.000 0.814 139 A HN 0.478 nan 8.150 nan 0.000 0.446 140 T N -3.016 111.518 114.554 -0.034 0.000 3.215 140 T HA 0.638 4.988 4.350 -0.000 0.000 0.271 140 T C 0.381 175.061 174.700 -0.033 0.000 1.012 140 T CA 0.302 62.385 62.100 -0.029 0.000 0.899 140 T CB -0.363 68.492 68.868 -0.021 0.000 1.089 140 T HN 0.618 nan 8.240 nan 0.000 0.552 141 A N 0.353 123.147 122.820 -0.044 0.000 2.445 141 A HA 0.777 5.097 4.320 -0.000 0.000 0.242 141 A C 1.394 178.956 177.584 -0.038 0.000 1.075 141 A CA 0.002 52.010 52.037 -0.048 0.000 0.777 141 A CB 0.124 19.084 19.000 -0.067 0.000 1.013 141 A HN 0.808 nan 8.150 nan 0.000 0.493 142 A N 1.026 123.825 122.820 -0.034 0.000 2.066 142 A HA 0.547 4.867 4.320 -0.000 0.000 0.198 142 A C 0.964 178.537 177.584 -0.018 0.000 1.405 142 A CA 0.965 52.988 52.037 -0.023 0.000 0.973 142 A CB 0.025 19.014 19.000 -0.020 0.000 1.026 142 A HN 1.041 nan 8.150 nan 0.000 0.474 143 S N -0.461 115.224 115.700 -0.024 0.000 2.538 143 S HA 0.690 5.160 4.470 -0.000 0.000 0.288 143 S C -1.915 172.667 174.600 -0.030 0.000 1.108 143 S CA -0.359 57.832 58.200 -0.015 0.000 0.971 143 S CB 1.377 64.571 63.200 -0.010 0.000 1.041 143 S HN 0.636 nan 8.310 nan 0.000 0.483 144 L N 4.647 125.859 121.223 -0.019 0.000 2.528 144 L HA 0.652 4.992 4.340 -0.000 0.000 0.267 144 L C -0.834 176.027 176.870 -0.016 0.000 0.961 144 L CA -0.157 54.656 54.840 -0.045 0.000 0.866 144 L CB 1.678 43.691 42.059 -0.077 0.000 1.248 144 L HN 0.763 nan 8.230 nan 0.000 0.404 145 R N 5.388 125.876 120.500 -0.019 0.000 2.561 145 R HA 0.711 5.051 4.340 -0.000 0.000 0.297 145 R C -1.580 174.711 176.300 -0.015 0.000 0.969 145 R CA -0.662 55.447 56.100 0.015 0.000 0.879 145 R CB 1.663 31.993 30.300 0.051 0.000 1.178 145 R HN 0.790 nan 8.270 nan 0.000 0.445 146 M N 3.805 123.395 119.600 -0.016 0.000 2.243 146 M HA 0.357 4.837 4.480 -0.000 0.000 0.324 146 M C -1.688 174.609 176.300 -0.005 0.000 1.031 146 M CA -0.477 54.798 55.300 -0.042 0.000 0.949 146 M CB 1.804 34.341 32.600 -0.104 0.000 1.615 146 M HN 0.618 nan 8.290 nan 0.000 0.430 147 D N 4.107 124.491 120.400 -0.026 0.000 2.502 147 D HA 0.415 5.055 4.640 -0.000 0.000 0.249 147 D C -1.278 174.869 176.300 -0.254 0.000 1.092 147 D CA -0.259 53.669 54.000 -0.121 0.000 0.839 147 D CB 1.712 42.487 40.800 -0.042 0.000 1.264 147 D HN 0.395 nan 8.370 nan 0.000 0.511 148 K N 2.721 122.887 120.400 -0.390 0.000 2.613 148 K HA 0.318 4.638 4.320 -0.000 0.000 0.248 148 K C -1.268 175.174 176.600 -0.263 0.000 0.959 148 K CA -0.688 55.461 56.287 -0.230 0.000 0.855 148 K CB 0.689 33.187 32.500 -0.004 0.000 1.143 148 K HN 0.521 nan 8.250 nan 0.000 0.437 149 H N 1.588 120.754 119.070 0.160 0.000 2.812 149 H HA 0.577 5.133 4.556 -0.000 0.000 0.355 149 H C -0.311 175.108 175.328 0.152 0.000 1.207 149 H CA -0.916 55.237 56.048 0.175 0.000 1.217 149 H CB 1.386 31.249 29.762 0.169 0.000 1.874 149 H HN 0.369 nan 8.280 nan 0.000 0.581 150 R N -0.236 120.451 120.500 0.313 0.000 2.744 150 R HA 0.318 4.658 4.340 -0.000 0.000 0.279 150 R C 0.699 177.109 176.300 0.183 0.000 0.977 150 R CA -0.729 55.498 56.100 0.211 0.000 0.906 150 R CB 1.613 32.026 30.300 0.188 0.000 1.197 150 R HN 0.568 nan 8.270 nan 0.000 0.463 151 S N 1.008 116.788 115.700 0.134 0.000 2.387 151 S HA -0.071 4.399 4.470 -0.000 0.000 0.226 151 S C 0.628 175.288 174.600 0.100 0.000 1.026 151 S CA 1.120 59.380 58.200 0.101 0.000 0.972 151 S CB -0.033 63.214 63.200 0.077 0.000 0.814 151 S HN 0.563 nan 8.310 nan 0.000 0.477 152 N N 0.166 118.929 118.700 0.105 0.000 3.211 152 N HA 0.060 4.800 4.740 -0.000 0.000 0.183 152 N C -1.755 173.811 175.510 0.093 0.000 1.447 152 N CA 0.086 53.194 53.050 0.096 0.000 0.840 152 N CB 0.734 39.263 38.487 0.070 0.000 1.611 152 N HN -0.008 nan 8.380 nan 0.000 0.610 153 S N 1.462 117.228 115.700 0.110 0.000 2.060 153 S HA 0.301 4.771 4.470 -0.000 0.000 0.156 153 S C -0.019 174.642 174.600 0.101 0.000 1.690 153 S CA -0.254 58.008 58.200 0.104 0.000 1.238 153 S CB -0.083 63.191 63.200 0.124 0.000 1.150 153 S HN 0.152 nan 8.310 nan 0.000 0.437 154 V N 3.175 123.136 119.914 0.079 0.000 3.095 154 V HA 0.332 4.452 4.120 -0.000 0.000 0.388 154 V C 1.584 177.711 176.094 0.055 0.000 1.286 154 V CA -0.115 62.227 62.300 0.070 0.000 1.406 154 V CB -0.647 31.210 31.823 0.057 0.000 1.363 154 V HN 0.760 nan 8.190 nan 0.000 0.532 155 G N 2.158 110.994 108.800 0.060 0.000 2.765 155 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.230 155 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.230 155 G C -0.890 173.984 174.900 -0.043 0.000 1.238 155 G CA -0.319 44.788 45.100 0.012 0.000 0.854 155 G HN 0.420 nan 8.290 nan 0.000 0.579 156 P HA -0.173 nan 4.420 nan 0.000 0.219 156 P C 0.740 177.932 177.300 -0.181 0.000 1.158 156 P CA 1.193 64.160 63.100 -0.222 0.000 0.895 156 P CB -0.101 31.377 31.700 -0.370 0.000 0.792 157 H N 0.035 119.079 119.070 -0.043 0.000 2.929 157 H HA 0.029 4.585 4.556 -0.000 0.000 0.358 157 H C 0.674 176.052 175.328 0.084 0.000 1.111 157 H CA 0.009 56.029 56.048 -0.047 0.000 1.409 157 H CB -0.173 29.485 29.762 -0.173 0.000 1.373 157 H HN 0.250 nan 8.280 nan 0.000 0.610 158 D N 0.505 121.055 120.400 0.250 0.000 2.447 158 D HA -0.022 4.618 4.640 -0.000 0.000 0.265 158 D C 1.473 177.929 176.300 0.261 0.000 1.250 158 D CA -0.742 53.393 54.000 0.225 0.000 1.046 158 D CB 0.619 41.546 40.800 0.212 0.000 1.095 158 D HN 0.329 nan 8.370 nan 0.000 0.555 159 L N -0.560 120.814 121.223 0.251 0.000 2.043 159 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 159 L C 2.092 179.118 176.870 0.260 0.000 1.075 159 L CA 1.703 56.696 54.840 0.255 0.000 0.752 159 L CB -1.087 41.155 42.059 0.305 0.000 0.891 159 L HN 0.578 nan 8.230 nan 0.000 0.432 160 Y N -0.878 119.464 120.300 0.070 0.000 2.181 160 Y HA -0.279 4.271 4.550 0.000 0.000 0.288 160 Y C 2.326 178.168 175.900 -0.097 0.000 1.146 160 Y CA 1.736 59.709 58.100 -0.212 0.000 1.164 160 Y CB -0.699 37.489 38.460 -0.454 0.000 0.982 160 Y HN 0.335 nan 8.280 nan 0.000 0.515 161 F N 0.313 120.180 119.950 -0.139 0.000 2.146 161 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 161 F C 2.257 177.962 175.800 -0.158 0.000 1.096 161 F CA 2.210 60.066 58.000 -0.241 0.000 1.275 161 F CB -0.720 38.183 39.000 -0.161 0.000 1.008 161 F HN -0.061 nan 8.300 nan 0.000 0.480 162 T N 1.404 115.971 114.554 0.022 0.000 2.788 162 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 162 T C 2.184 176.849 174.700 -0.058 0.000 1.044 162 T CA 1.574 63.672 62.100 -0.003 0.000 1.139 162 T CB -0.496 68.446 68.868 0.123 0.000 0.867 162 T HN 0.242 nan 8.240 nan 0.000 0.454 163 L N 0.163 121.364 121.223 -0.037 0.000 2.093 163 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 163 L C 2.291 179.116 176.870 -0.074 0.000 1.085 163 L CA 1.114 55.980 54.840 0.043 0.000 0.755 163 L CB -0.421 41.697 42.059 0.097 0.000 0.904 163 L HN 0.268 nan 8.230 nan 0.000 0.435 164 L N -1.114 119.933 121.223 -0.294 0.000 2.307 164 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 164 L C 1.649 178.268 176.870 -0.419 0.000 1.099 164 L CA 0.580 55.199 54.840 -0.368 0.000 0.816 164 L CB -0.148 41.586 42.059 -0.542 0.000 0.952 164 L HN 0.181 nan 8.230 nan 0.000 0.455 165 D N -1.341 118.723 120.400 -0.561 0.000 2.360 165 D HA -0.095 4.545 4.640 -0.000 0.000 0.210 165 D C 1.273 177.402 176.300 -0.284 0.000 1.047 165 D CA 0.582 54.248 54.000 -0.557 0.000 0.854 165 D CB 0.589 40.737 40.800 -1.087 0.000 0.936 165 D HN 0.061 nan 8.370 nan 0.000 0.514 166 D N -1.904 118.402 120.400 -0.156 0.000 2.259 166 D HA -0.063 4.577 4.640 -0.000 0.000 0.301 166 D C 0.864 177.247 176.300 0.139 0.000 1.149 166 D CA -0.025 54.003 54.000 0.047 0.000 1.012 166 D CB -0.480 40.395 40.800 0.125 0.000 1.797 166 D HN 0.038 nan 8.370 nan 0.000 0.513 167 Y N 2.015 122.300 120.300 -0.025 0.000 2.421 167 Y HA 0.118 4.668 4.550 -0.000 0.000 0.292 167 Y C 2.015 177.905 175.900 -0.016 0.000 1.136 167 Y CA 0.915 59.017 58.100 0.003 0.000 1.255 167 Y CB -0.225 38.239 38.460 0.006 0.000 0.991 167 Y HN 0.021 nan 8.280 nan 0.000 0.552 168 L N -0.975 120.202 121.223 -0.076 0.000 2.083 168 L HA -0.285 4.055 4.340 -0.000 0.000 0.209 168 L C 2.404 179.189 176.870 -0.141 0.000 1.083 168 L CA 1.300 56.052 54.840 -0.147 0.000 0.752 168 L CB -0.487 41.510 42.059 -0.103 0.000 0.899 168 L HN 0.294 nan 8.230 nan 0.000 0.433 169 H N -0.930 118.110 119.070 -0.051 0.000 2.319 169 H HA -0.161 4.395 4.556 0.000 0.000 0.299 169 H C 2.266 177.492 175.328 -0.169 0.000 1.092 169 H CA 1.956 57.973 56.048 -0.052 0.000 1.302 169 H CB -0.393 29.387 29.762 0.030 0.000 1.373 169 H HN 0.214 nan 8.280 nan 0.000 0.497 170 V N 0.259 120.137 119.914 -0.059 0.000 2.307 170 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 170 V C 2.840 178.738 176.094 -0.328 0.000 1.045 170 V CA 1.336 63.526 62.300 -0.184 0.000 1.024 170 V CB -0.807 30.905 31.823 -0.185 0.000 0.651 170 V HN 0.164 nan 8.190 nan 0.000 0.449 171 V N 0.823 120.449 119.914 -0.479 0.000 2.407 171 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 171 V C 2.249 178.094 176.094 -0.415 0.000 1.055 171 V CA 2.505 64.506 62.300 -0.499 0.000 1.049 171 V CB -0.687 30.840 31.823 -0.494 0.000 0.662 171 V HN 0.692 nan 8.190 nan 0.000 0.455 172 D N -0.492 119.676 120.400 -0.386 0.000 2.137 172 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 172 D C 2.144 178.242 176.300 -0.336 0.000 0.970 172 D CA 1.539 55.265 54.000 -0.457 0.000 0.837 172 D CB 0.030 40.307 40.800 -0.871 0.000 0.981 172 D HN 0.382 nan 8.370 nan 0.000 0.475 173 T N -0.262 114.130 114.554 -0.270 0.000 2.708 173 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 173 T C 2.015 176.645 174.700 -0.115 0.000 1.037 173 T CA 1.343 63.370 62.100 -0.121 0.000 1.146 173 T CB -0.538 68.232 68.868 -0.163 0.000 0.865 173 T HN 0.257 nan 8.240 nan 0.000 0.435 174 A N 1.232 123.913 122.820 -0.231 0.000 1.902 174 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 174 A C 2.319 179.748 177.584 -0.257 0.000 1.181 174 A CA 1.253 53.134 52.037 -0.259 0.000 0.623 174 A CB -0.884 17.938 19.000 -0.296 0.000 0.818 174 A HN 0.466 nan 8.150 nan 0.000 0.443 175 L N -2.557 118.499 121.223 -0.279 0.000 2.093 175 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 175 L C 2.495 179.290 176.870 -0.125 0.000 1.085 175 L CA 1.412 56.110 54.840 -0.238 0.000 0.755 175 L CB -0.420 41.481 42.059 -0.264 0.000 0.904 175 L HN 0.791 nan 8.230 nan 0.000 0.435 176 W N 0.775 121.914 121.300 -0.267 0.000 2.379 176 W HA -0.165 4.495 4.660 -0.000 0.000 0.307 176 W C 2.093 178.497 176.519 -0.191 0.000 1.200 176 W CA 1.155 58.365 57.345 -0.224 0.000 1.297 176 W CB -0.322 28.982 29.460 -0.261 0.000 1.140 176 W HN -0.062 nan 8.180 nan 0.000 0.507 177 L N 1.221 122.135 121.223 -0.514 0.000 2.191 177 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 177 L C 1.719 178.318 176.870 -0.452 0.000 1.103 177 L CA 1.545 55.975 54.840 -0.683 0.000 0.769 177 L CB -0.792 40.989 42.059 -0.464 0.000 0.908 177 L HN 0.094 nan 8.230 nan 0.000 0.438 178 S N -0.897 114.615 115.700 -0.314 0.000 2.835 178 S HA 0.514 4.984 4.470 -0.000 0.000 0.194 178 S C 0.962 175.455 174.600 -0.178 0.000 1.364 178 S CA -0.169 57.900 58.200 -0.217 0.000 1.167 178 S CB 0.528 63.632 63.200 -0.160 0.000 1.223 178 S HN 0.528 nan 8.310 nan 0.000 0.512 179 G N 1.859 110.534 108.800 -0.208 0.000 5.452 179 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.310 179 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.310 179 G C 0.891 175.726 174.900 -0.108 0.000 1.392 179 G CA 0.393 45.409 45.100 -0.140 0.000 0.942 179 G HN 2.144 nan 8.290 nan 0.000 0.776 180 G N -1.043 107.706 108.800 -0.084 0.000 2.276 180 G HA2 0.279 4.239 3.960 -0.000 0.000 0.177 180 G HA3 0.279 4.239 3.960 -0.000 0.000 0.177 180 G C 0.305 175.187 174.900 -0.030 0.000 1.017 180 G CA 0.894 45.964 45.100 -0.051 0.000 0.750 180 G HN 1.739 nan 8.290 nan 0.000 0.506 181 K N 0.102 120.486 120.400 -0.026 0.000 3.045 181 K HA 0.753 5.073 4.320 -0.000 0.000 0.211 181 K C 0.315 176.925 176.600 0.018 0.000 1.141 181 K CA 0.150 56.436 56.287 -0.001 0.000 1.036 181 K CB 0.788 33.287 32.500 -0.001 0.000 0.851 181 K HN 0.814 nan 8.250 nan 0.000 0.462 182 A N 1.019 123.855 122.820 0.026 0.000 2.252 182 A HA 0.663 4.983 4.320 -0.000 0.000 0.305 182 A C -0.140 177.542 177.584 0.162 0.000 1.097 182 A CA -0.400 51.692 52.037 0.090 0.000 0.849 182 A CB 0.622 19.676 19.000 0.091 0.000 1.142 182 A HN 0.560 nan 8.150 nan 0.000 0.499 183 S N 0.102 115.924 115.700 0.203 0.000 2.526 183 S HA 0.550 5.020 4.470 -0.000 0.000 0.293 183 S C -0.752 173.915 174.600 0.111 0.000 1.092 183 S CA -0.664 57.633 58.200 0.161 0.000 0.980 183 S CB 1.177 64.421 63.200 0.074 0.000 1.048 183 S HN 1.157 nan 8.310 nan 0.000 0.483 184 L N 2.560 123.765 121.223 -0.030 0.000 2.477 184 L HA 0.366 4.706 4.340 -0.000 0.000 0.272 184 L C 0.385 177.106 176.870 -0.247 0.000 1.157 184 L CA 0.853 55.434 54.840 -0.433 0.000 0.889 184 L CB -0.089 41.781 42.059 -0.314 0.000 1.158 184 L HN 0.857 nan 8.230 nan 0.000 0.473 185 D N 3.404 123.645 120.400 -0.264 0.000 2.422 185 D HA 0.300 4.940 4.640 -0.000 0.000 0.218 185 D C 0.599 176.876 176.300 -0.038 0.000 1.047 185 D CA 0.973 54.921 54.000 -0.087 0.000 0.885 185 D CB 1.138 41.928 40.800 -0.015 0.000 1.035 185 D HN 0.704 nan 8.370 nan 0.000 0.502 186 G N -0.912 107.858 108.800 -0.051 0.000 2.324 186 G HA2 0.443 4.403 3.960 -0.000 0.000 0.293 186 G HA3 0.443 4.403 3.960 -0.000 0.000 0.293 186 G C -0.602 174.306 174.900 0.014 0.000 1.297 186 G CA -0.101 45.018 45.100 0.031 0.000 0.853 186 G HN 0.396 nan 8.290 nan 0.000 0.535 187 G N -2.063 106.730 108.800 -0.011 0.000 2.351 187 G HA2 0.767 4.727 3.960 -0.000 0.000 0.279 187 G HA3 0.767 4.727 3.960 -0.000 0.000 0.279 187 G C -0.489 174.296 174.900 -0.191 0.000 1.297 187 G CA 0.914 45.857 45.100 -0.263 0.000 0.886 187 G HN 2.481 nan 8.290 nan 0.000 0.493 188 T N -2.071 112.270 114.554 -0.354 0.000 2.802 188 T HA 0.739 5.089 4.350 -0.000 0.000 0.311 188 T C -1.180 173.425 174.700 -0.158 0.000 1.405 188 T CA -0.762 61.263 62.100 -0.124 0.000 1.016 188 T CB 1.961 70.842 68.868 0.021 0.000 1.352 188 T HN 0.917 nan 8.240 nan 0.000 0.498 189 L N 1.120 122.327 121.223 -0.028 0.000 2.408 189 L HA 0.686 5.026 4.340 -0.000 0.000 0.268 189 L C -1.290 175.600 176.870 0.034 0.000 0.986 189 L CA -1.017 53.808 54.840 -0.025 0.000 0.820 189 L CB 1.982 44.057 42.059 0.027 0.000 1.303 189 L HN 0.555 nan 8.230 nan 0.000 0.411 190 L N 2.477 123.730 121.223 0.050 0.000 2.385 190 L HA 0.731 5.071 4.340 -0.000 0.000 0.273 190 L C -0.410 176.488 176.870 0.048 0.000 0.990 190 L CA -0.480 54.406 54.840 0.076 0.000 0.821 190 L CB 2.373 44.514 42.059 0.138 0.000 1.279 190 L HN 0.601 nan 8.230 nan 0.000 0.412 191 T N -1.966 112.615 114.554 0.045 0.000 2.903 191 T HA 0.474 4.824 4.350 -0.000 0.000 0.299 191 T C -0.464 174.260 174.700 0.040 0.000 1.093 191 T CA -1.067 61.060 62.100 0.045 0.000 1.002 191 T CB 1.876 70.781 68.868 0.061 0.000 1.127 191 T HN 0.554 nan 8.240 nan 0.000 0.488 192 N N 0.957 119.680 118.700 0.039 0.000 2.285 192 N HA 0.163 4.903 4.740 -0.000 0.000 0.262 192 N C 0.448 175.978 175.510 0.033 0.000 1.299 192 N CA -0.553 52.517 53.050 0.034 0.000 0.930 192 N CB -0.153 38.354 38.487 0.033 0.000 1.157 192 N HN 0.580 nan 8.380 nan 0.000 0.532 193 D N -0.975 119.442 120.400 0.028 0.000 2.221 193 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 193 D C 1.397 177.715 176.300 0.030 0.000 0.982 193 D CA 1.422 55.437 54.000 0.025 0.000 0.857 193 D CB -0.361 40.451 40.800 0.020 0.000 0.934 193 D HN 0.699 nan 8.370 nan 0.000 0.475 194 A N -0.121 122.719 122.820 0.033 0.000 2.119 194 A HA 0.282 4.602 4.320 -0.000 0.000 0.216 194 A C 1.888 179.504 177.584 0.053 0.000 1.152 194 A CA 1.416 53.476 52.037 0.038 0.000 0.708 194 A CB -0.107 18.913 19.000 0.033 0.000 0.805 194 A HN 0.281 nan 8.150 nan 0.000 0.460 195 G N -0.875 107.961 108.800 0.060 0.000 2.157 195 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.239 195 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.239 195 G C -0.187 174.777 174.900 0.106 0.000 0.982 195 G CA 0.200 45.351 45.100 0.084 0.000 0.650 195 G HN 0.615 nan 8.290 nan 0.000 0.527 196 E N 0.281 120.534 120.200 0.087 0.000 2.313 196 E HA 0.477 4.827 4.350 -0.000 0.000 0.276 196 E C 0.829 177.479 176.600 0.083 0.000 1.031 196 E CA -0.549 55.908 56.400 0.095 0.000 0.857 196 E CB 1.013 30.757 29.700 0.073 0.000 1.040 196 E HN 0.425 nan 8.360 nan 0.000 0.408 197 M N 3.955 123.611 119.600 0.093 0.000 2.249 197 M HA -0.021 4.459 4.480 -0.000 0.000 0.340 197 M C -0.239 176.071 176.300 0.016 0.000 1.166 197 M CA 0.605 55.937 55.300 0.054 0.000 1.115 197 M CB 0.421 33.048 32.600 0.045 0.000 1.606 197 M HN 0.656 nan 8.290 nan 0.000 0.448 198 L N 4.352 125.563 121.223 -0.020 0.000 2.600 198 L HA 0.388 4.728 4.340 -0.000 0.000 0.213 198 L C -0.222 176.520 176.870 -0.213 0.000 1.045 198 L CA -0.073 54.711 54.840 -0.093 0.000 0.863 198 L CB 0.547 42.573 42.059 -0.055 0.000 1.189 198 L HN 0.702 nan 8.230 nan 0.000 0.484 199 F N 0.197 119.979 119.950 -0.280 0.000 2.654 199 F HA 0.718 5.245 4.527 -0.000 0.000 0.308 199 F C -1.588 174.112 175.800 -0.167 0.000 1.108 199 F CA -0.854 56.987 58.000 -0.265 0.000 0.957 199 F CB 1.624 40.490 39.000 -0.224 0.000 1.309 199 F HN -0.213 nan 8.300 nan 0.000 0.446 200 A N 3.743 125.719 122.820 -1.406 0.000 2.488 200 A HA 0.663 4.983 4.320 -0.000 0.000 0.295 200 A C -1.748 175.113 177.584 -1.205 0.000 1.045 200 A CA -0.462 50.885 52.037 -1.149 0.000 0.703 200 A CB 1.683 20.099 19.000 -0.974 0.000 1.271 200 A HN 0.847 nan 8.150 nan 0.000 0.400 201 E N 1.316 120.964 120.200 -0.919 0.000 2.321 201 E HA 0.569 4.919 4.350 -0.000 0.000 0.278 201 E C -1.753 174.349 176.600 -0.830 0.000 0.902 201 E CA -0.564 55.524 56.400 -0.520 0.000 0.758 201 E CB 1.545 31.127 29.700 -0.197 0.000 1.213 201 E HN 0.838 nan 8.360 nan 0.000 0.426 202 H N 1.461 120.423 119.070 -0.180 0.000 2.980 202 H HA 0.384 4.940 4.556 -0.000 0.000 0.367 202 H C -0.935 174.082 175.328 -0.517 0.000 1.206 202 H CA -0.734 55.114 56.048 -0.333 0.000 1.126 202 H CB 1.686 31.444 29.762 -0.007 0.000 1.838 202 H HN 0.484 nan 8.280 nan 0.000 0.552 203 H N 1.679 120.740 119.070 -0.014 0.000 2.529 203 H HA 0.328 4.884 4.556 -0.000 0.000 0.348 203 H C -0.775 174.426 175.328 -0.211 0.000 1.079 203 H CA -0.328 55.734 56.048 0.022 0.000 1.198 203 H CB 1.194 30.962 29.762 0.010 0.000 1.521 203 H HN 0.290 nan 8.280 nan 0.000 0.514 204 F N 0.734 120.765 119.950 0.135 0.000 2.579 204 F HA 0.434 4.961 4.527 0.000 0.000 0.324 204 F C 0.305 176.138 175.800 0.054 0.000 1.058 204 F CA -0.909 57.134 58.000 0.071 0.000 0.944 204 F CB 2.086 41.101 39.000 0.026 0.000 1.245 204 F HN 0.401 nan 8.300 nan 0.000 0.477 205 S N 0.546 116.368 115.700 0.203 0.000 2.779 205 S HA 0.795 5.265 4.470 -0.000 0.000 0.293 205 S C -1.012 173.639 174.600 0.086 0.000 1.150 205 S CA -0.693 57.575 58.200 0.114 0.000 1.057 205 S CB 1.202 64.443 63.200 0.068 0.000 1.021 205 S HN 0.945 nan 8.310 nan 0.000 0.485 206 A N 3.040 125.895 122.820 0.059 0.000 2.801 206 A HA 0.836 5.156 4.320 -0.000 0.000 0.344 206 A C 1.213 178.805 177.584 0.014 0.000 1.322 206 A CA -0.033 52.022 52.037 0.029 0.000 0.913 206 A CB -0.838 18.165 19.000 0.006 0.000 1.140 206 A HN 2.398 nan 8.150 nan 0.000 0.487 207 G N 3.049 111.859 108.800 0.016 0.000 2.514 207 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.265 207 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.265 207 G C -0.628 174.276 174.900 0.008 0.000 1.150 207 G CA 0.185 45.289 45.100 0.008 0.000 0.959 207 G HN 0.658 nan 8.290 nan 0.000 0.556 208 P HA 0.180 nan 4.420 nan 0.000 0.222 208 P C 1.164 178.466 177.300 0.002 0.000 1.153 208 P CA 0.706 63.806 63.100 -0.000 0.000 0.798 208 P CB 0.068 31.764 31.700 -0.005 0.000 0.796 209 L N 1.543 122.766 121.223 0.000 0.000 2.499 209 L HA 0.069 4.409 4.340 -0.000 0.000 0.273 209 L C 0.042 176.926 176.870 0.023 0.000 1.195 209 L CA 0.652 55.492 54.840 0.001 0.000 0.882 209 L CB -0.023 42.027 42.059 -0.014 0.000 1.133 209 L HN -0.085 nan 8.230 nan 0.000 0.483 210 Q N 5.581 125.397 119.800 0.028 0.000 2.307 210 Q HA 0.461 4.801 4.340 -0.000 0.000 0.262 210 Q C -1.051 175.000 176.000 0.084 0.000 0.961 210 Q CA -0.486 55.354 55.803 0.062 0.000 0.882 210 Q CB 2.016 30.779 28.738 0.043 0.000 1.264 210 Q HN 0.544 nan 8.270 nan 0.000 0.446 211 I N 1.246 121.906 120.570 0.150 0.000 2.493 211 I HA 0.389 4.559 4.170 -0.000 0.000 0.298 211 I C 0.062 176.338 176.117 0.265 0.000 0.998 211 I CA -0.178 61.210 61.300 0.147 0.000 1.137 211 I CB 2.105 40.156 38.000 0.084 0.000 1.310 211 I HN 0.328 nan 8.210 nan 0.000 0.445 212 T N 3.318 117.988 114.554 0.194 0.000 2.879 212 T HA 0.573 4.923 4.350 -0.000 0.000 0.290 212 T C -0.426 174.368 174.700 0.158 0.000 0.993 212 T CA -0.801 61.446 62.100 0.244 0.000 0.975 212 T CB 1.305 70.329 68.868 0.259 0.000 0.981 212 T HN 0.678 nan 8.240 nan 0.000 0.439 213 T N -0.361 114.311 114.554 0.196 0.000 2.797 213 T HA 0.687 5.037 4.350 -0.000 0.000 0.279 213 T C -0.417 174.438 174.700 0.258 0.000 0.991 213 T CA -0.819 61.380 62.100 0.165 0.000 0.979 213 T CB 1.071 69.986 68.868 0.080 0.000 0.943 213 T HN 0.728 nan 8.240 nan 0.000 0.444 214 C N 5.294 124.745 119.300 0.252 0.000 2.686 214 C HA 0.852 5.312 4.460 -0.000 0.000 0.318 214 C C -1.003 174.137 174.990 0.251 0.000 1.160 214 C CA -0.674 58.487 59.018 0.239 0.000 1.396 214 C CB 0.775 28.695 27.740 0.300 0.000 1.924 214 C HN 1.170 nan 8.230 nan 0.000 0.471 215 M N 6.719 126.427 119.600 0.180 0.000 2.284 215 M HA 0.408 4.888 4.480 -0.000 0.000 0.281 215 M C -2.116 174.384 176.300 0.333 0.000 1.083 215 M CA -0.150 55.304 55.300 0.257 0.000 0.965 215 M CB 1.502 34.209 32.600 0.179 0.000 1.717 215 M HN 0.950 nan 8.290 nan 0.000 0.479 216 H N 4.587 123.994 119.070 0.561 0.000 2.589 216 H HA 0.514 5.070 4.556 -0.000 0.000 0.351 216 H C -0.223 175.269 175.328 0.274 0.000 1.074 216 H CA -0.324 55.974 56.048 0.416 0.000 1.203 216 H CB 1.650 31.582 29.762 0.283 0.000 1.558 216 H HN 0.792 nan 8.280 nan 0.000 0.522 217 R N 2.936 123.512 120.500 0.127 0.000 2.299 217 R HA 0.035 4.375 4.340 -0.000 0.000 0.197 217 R C 0.544 176.992 176.300 0.246 0.000 0.971 217 R CA 0.207 56.413 56.100 0.175 0.000 1.030 217 R CB 0.154 30.502 30.300 0.080 0.000 0.932 217 R HN 0.452 nan 8.270 nan 0.000 0.477 218 R N 0.075 120.856 120.500 0.469 0.000 2.837 218 R HA 0.285 4.625 4.340 -0.000 0.000 0.245 218 R C -0.515 175.910 176.300 0.209 0.000 1.712 218 R CA 0.017 56.307 56.100 0.317 0.000 1.539 218 R CB 0.569 31.009 30.300 0.232 0.000 1.490 218 R HN 0.028 nan 8.270 nan 0.000 0.667 219 A N 0.501 123.363 122.820 0.070 0.000 2.431 219 A HA 0.370 4.690 4.320 -0.000 0.000 0.239 219 A C 1.193 178.725 177.584 -0.087 0.000 1.230 219 A CA 0.303 52.221 52.037 -0.199 0.000 0.928 219 A CB 0.508 19.292 19.000 -0.360 0.000 1.006 219 A HN 0.827 nan 8.150 nan 0.000 0.520 220 G N -0.862 107.938 108.800 0.001 0.000 2.147 220 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.244 220 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.244 220 G C 0.113 175.033 174.900 0.034 0.000 1.005 220 G CA 0.694 45.802 45.100 0.014 0.000 0.713 220 G HN 1.627 nan 8.290 nan 0.000 0.515 221 S N -1.223 114.517 115.700 0.066 0.000 2.592 221 S HA 0.523 4.993 4.470 -0.000 0.000 0.275 221 S C -0.019 174.669 174.600 0.146 0.000 1.169 221 S CA 0.116 58.373 58.200 0.094 0.000 0.958 221 S CB 1.653 64.907 63.200 0.090 0.000 1.095 221 S HN 0.406 nan 8.310 nan 0.000 0.471 222 Q N 2.947 122.821 119.800 0.124 0.000 2.244 222 Q HA 0.203 4.543 4.340 -0.000 0.000 0.239 222 Q C 0.444 176.518 176.000 0.124 0.000 0.890 222 Q CA -0.251 55.630 55.803 0.131 0.000 0.964 222 Q CB 0.223 29.022 28.738 0.102 0.000 1.076 222 Q HN 0.567 nan 8.270 nan 0.000 0.447 223 R N 1.020 121.606 120.500 0.143 0.000 2.490 223 R HA 0.100 4.440 4.340 -0.000 0.000 0.280 223 R C -0.755 175.596 176.300 0.084 0.000 1.077 223 R CA 0.132 56.303 56.100 0.119 0.000 1.065 223 R CB 0.772 31.154 30.300 0.136 0.000 1.003 223 R HN 0.205 nan 8.270 nan 0.000 0.470 224 E N 2.349 122.589 120.200 0.066 0.000 2.210 224 E HA 0.324 4.674 4.350 -0.000 0.000 0.266 224 E C -1.618 175.024 176.600 0.070 0.000 0.883 224 E CA -0.657 55.771 56.400 0.047 0.000 0.761 224 E CB 1.692 31.429 29.700 0.062 0.000 1.156 224 E HN 0.762 nan 8.360 nan 0.000 0.412 225 T N -0.286 114.302 114.554 0.056 0.000 2.868 225 T HA 0.583 4.933 4.350 -0.000 0.000 0.306 225 T C -1.031 173.694 174.700 0.042 0.000 1.224 225 T CA -0.764 61.376 62.100 0.067 0.000 1.012 225 T CB 1.438 70.338 68.868 0.053 0.000 1.221 225 T HN 0.182 nan 8.240 nan 0.000 0.499 226 V N 1.631 121.564 119.914 0.032 0.000 2.638 226 V HA 0.547 4.667 4.120 -0.000 0.000 0.306 226 V C -0.824 175.228 176.094 -0.069 0.000 1.052 226 V CA -0.794 61.484 62.300 -0.038 0.000 0.885 226 V CB 1.837 33.616 31.823 -0.074 0.000 0.999 226 V HN 0.975 nan 8.190 nan 0.000 0.424 227 Q N 2.787 122.543 119.800 -0.074 0.000 2.330 227 Q HA 0.824 5.164 4.340 -0.000 0.000 0.269 227 Q C -0.654 175.287 176.000 -0.098 0.000 1.022 227 Q CA -0.550 55.203 55.803 -0.084 0.000 0.796 227 Q CB 2.710 31.423 28.738 -0.041 0.000 1.271 227 Q HN 0.903 nan 8.270 nan 0.000 0.450 228 A N 2.066 124.810 122.820 -0.126 0.000 2.371 228 A HA 0.699 5.019 4.320 -0.000 0.000 0.311 228 A C -0.890 176.638 177.584 -0.093 0.000 1.068 228 A CA -0.597 51.371 52.037 -0.115 0.000 0.744 228 A CB 1.373 20.286 19.000 -0.146 0.000 1.239 228 A HN 0.475 nan 8.150 nan 0.000 0.435 229 V N 3.278 123.151 119.914 -0.067 0.000 2.304 229 V HA 0.500 4.620 4.120 -0.000 0.000 0.278 229 V C 0.596 176.663 176.094 -0.046 0.000 1.018 229 V CA 0.113 62.382 62.300 -0.052 0.000 0.814 229 V CB 0.768 32.569 31.823 -0.036 0.000 1.021 229 V HN 1.143 nan 8.190 nan 0.000 0.440 230 T N -0.178 114.348 114.554 -0.046 0.000 2.876 230 T HA 0.423 4.773 4.350 -0.000 0.000 0.277 230 T C -0.334 174.351 174.700 -0.026 0.000 0.997 230 T CA -0.678 61.400 62.100 -0.037 0.000 0.966 230 T CB 1.873 70.719 68.868 -0.036 0.000 1.312 230 T HN 0.439 nan 8.240 nan 0.000 0.598 231 D N -0.204 120.184 120.400 -0.021 0.000 2.411 231 D HA 0.407 5.047 4.640 -0.000 0.000 0.225 231 D C 1.145 177.439 176.300 -0.011 0.000 1.156 231 D CA 0.823 54.813 54.000 -0.015 0.000 0.874 231 D CB -0.032 40.760 40.800 -0.014 0.000 1.034 231 D HN 1.112 nan 8.370 nan 0.000 0.502 232 G N 2.260 111.053 108.800 -0.010 0.000 2.163 232 G HA2 0.136 4.096 3.960 -0.000 0.000 0.213 232 G HA3 0.136 4.096 3.960 -0.000 0.000 0.213 232 G C 0.156 175.053 174.900 -0.004 0.000 0.991 232 G CA 0.018 45.115 45.100 -0.005 0.000 0.653 232 G HN 1.054 nan 8.290 nan 0.000 0.518 233 A N -0.939 121.874 122.820 -0.012 0.000 2.583 233 A HA 0.735 5.055 4.320 -0.000 0.000 0.292 233 A C -1.471 176.091 177.584 -0.037 0.000 1.045 233 A CA -0.448 51.580 52.037 -0.014 0.000 0.672 233 A CB 0.862 19.864 19.000 0.003 0.000 1.283 233 A HN 0.990 nan 8.150 nan 0.000 0.419 234 L N 1.855 123.046 121.223 -0.054 0.000 2.376 234 L HA 0.612 4.952 4.340 -0.000 0.000 0.275 234 L C -1.058 175.726 176.870 -0.142 0.000 0.987 234 L CA -0.401 54.388 54.840 -0.085 0.000 0.828 234 L CB 1.625 43.642 42.059 -0.070 0.000 1.249 234 L HN 0.658 nan 8.230 nan 0.000 0.409 235 I N 2.752 123.197 120.570 -0.209 0.000 2.474 235 I HA 0.426 4.596 4.170 -0.000 0.000 0.294 235 I C -0.942 174.954 176.117 -0.369 0.000 1.005 235 I CA -0.643 60.423 61.300 -0.390 0.000 1.113 235 I CB 2.251 39.922 38.000 -0.548 0.000 1.289 235 I HN 0.476 nan 8.210 nan 0.000 0.436 236 D N 7.337 127.483 120.400 -0.423 0.000 2.780 236 D HA 0.574 5.214 4.640 -0.000 0.000 0.242 236 D C -0.728 175.409 176.300 -0.272 0.000 1.135 236 D CA -0.206 53.636 54.000 -0.263 0.000 0.859 236 D CB 3.177 43.883 40.800 -0.156 0.000 1.530 236 D HN 0.274 nan 8.370 nan 0.000 0.493 237 I N 1.241 121.736 120.570 -0.125 0.000 2.478 237 I HA 0.184 4.354 4.170 -0.000 0.000 0.287 237 I C -0.356 175.807 176.117 0.076 0.000 1.042 237 I CA -0.408 60.895 61.300 0.005 0.000 1.067 237 I CB 2.162 40.230 38.000 0.115 0.000 1.233 237 I HN 0.055 nan 8.210 nan 0.000 0.431 238 T N 3.737 118.344 114.554 0.088 0.000 2.824 238 T HA 0.204 4.554 4.350 -0.000 0.000 0.280 238 T C -0.042 174.710 174.700 0.087 0.000 0.995 238 T CA -0.363 61.790 62.100 0.088 0.000 1.009 238 T CB 1.056 69.973 68.868 0.083 0.000 0.955 238 T HN 0.626 nan 8.240 nan 0.000 0.452 239 D N 2.463 122.909 120.400 0.076 0.000 2.733 239 D HA -0.246 4.394 4.640 -0.000 0.000 0.232 239 D C 0.913 177.220 176.300 0.011 0.000 1.161 239 D CA 0.644 54.674 54.000 0.049 0.000 0.653 239 D CB -1.124 39.705 40.800 0.049 0.000 1.052 239 D HN 0.852 nan 8.370 nan 0.000 0.424 240 M N -3.288 116.298 119.600 -0.024 0.000 2.797 240 M HA -0.386 4.094 4.480 -0.000 0.000 0.171 240 M C 1.472 177.782 176.300 0.017 0.000 0.647 240 M CA 2.003 57.218 55.300 -0.142 0.000 0.598 240 M CB -0.882 31.546 32.600 -0.288 0.000 2.180 240 M HN 0.347 nan 8.290 nan 0.000 0.429 241 R N 0.269 120.820 120.500 0.084 0.000 2.194 241 R HA 0.163 4.503 4.340 -0.000 0.000 0.194 241 R C -0.170 176.250 176.300 0.201 0.000 0.985 241 R CA 0.329 56.518 56.100 0.148 0.000 1.104 241 R CB 0.697 31.056 30.300 0.099 0.000 1.092 241 R HN 0.240 nan 8.270 nan 0.000 0.555 242 E N 0.457 120.768 120.200 0.184 0.000 2.174 242 E HA 0.120 4.470 4.350 -0.000 0.000 0.282 242 E C -1.692 175.073 176.600 0.275 0.000 0.992 242 E CA -0.385 56.152 56.400 0.227 0.000 0.803 242 E CB 1.035 30.851 29.700 0.193 0.000 1.090 242 E HN 0.170 nan 8.360 nan 0.000 0.396 243 W N 5.596 126.956 121.300 0.100 0.000 2.471 243 W HA 0.477 5.137 4.660 -0.000 0.000 0.318 243 W C -1.160 175.360 176.519 0.001 0.000 1.034 243 W CA -0.749 56.628 57.345 0.054 0.000 1.224 243 W CB 0.816 30.300 29.460 0.040 0.000 1.335 243 W HN 0.502 nan 8.180 nan 0.000 0.452 244 R N 4.336 124.740 120.500 -0.161 0.000 2.561 244 R HA 0.373 4.713 4.340 -0.000 0.000 0.297 244 R C -0.783 175.340 176.300 -0.296 0.000 0.969 244 R CA -0.660 55.322 56.100 -0.198 0.000 0.879 244 R CB 2.550 32.682 30.300 -0.279 0.000 1.178 244 R HN 0.549 nan 8.270 nan 0.000 0.445 245 E N 0.885 121.028 120.200 -0.095 0.000 2.367 245 E HA 0.398 4.748 4.350 -0.000 0.000 0.273 245 E C -1.360 175.224 176.600 -0.027 0.000 0.903 245 E CA -1.081 55.279 56.400 -0.068 0.000 0.764 245 E CB 2.667 32.450 29.700 0.137 0.000 1.252 245 E HN 0.430 nan 8.360 nan 0.000 0.446 246 E N 1.479 121.658 120.200 -0.034 0.000 2.255 246 E HA 0.287 4.637 4.350 -0.000 0.000 0.256 246 E C -0.825 175.772 176.600 -0.005 0.000 0.887 246 E CA -0.625 55.764 56.400 -0.019 0.000 0.782 246 E CB 0.948 30.628 29.700 -0.033 0.000 1.214 246 E HN 0.505 nan 8.360 nan 0.000 0.417 247 R N 3.029 123.535 120.500 0.010 0.000 2.997 247 R HA 0.267 4.607 4.340 -0.000 0.000 0.358 247 R C 0.653 176.958 176.300 0.009 0.000 1.191 247 R CA 0.308 56.415 56.100 0.012 0.000 1.113 247 R CB 0.999 31.314 30.300 0.024 0.000 1.433 247 R HN 0.839 nan 8.270 nan 0.000 0.584 248 G N 0.815 109.617 108.800 0.004 0.000 2.241 248 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.244 248 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.244 248 G C 0.570 175.474 174.900 0.007 0.000 0.998 248 G CA -0.101 45.002 45.100 0.004 0.000 0.621 248 G HN 0.458 nan 8.290 nan 0.000 0.519 249 Q N 0.218 120.024 119.800 0.010 0.000 2.233 249 Q HA 0.498 4.838 4.340 -0.000 0.000 0.340 249 Q C 0.593 176.602 176.000 0.016 0.000 0.899 249 Q CA 0.315 56.125 55.803 0.012 0.000 1.139 249 Q CB 0.876 29.622 28.738 0.014 0.000 1.273 249 Q HN 1.716 nan 8.270 nan 0.000 0.431 250 G N -0.152 108.656 108.800 0.012 0.000 2.721 250 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 250 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 250 G C -0.380 174.527 174.900 0.011 0.000 1.236 250 G CA -0.833 44.276 45.100 0.014 0.000 0.786 250 G HN 0.145 nan 8.290 nan 0.000 0.616 251 V N 1.109 121.022 119.914 -0.000 0.000 2.673 251 V HA 0.370 4.490 4.120 -0.000 0.000 0.303 251 V C 1.158 177.239 176.094 -0.021 0.000 1.046 251 V CA -0.129 62.150 62.300 -0.035 0.000 1.126 251 V CB 1.126 32.907 31.823 -0.071 0.000 0.934 251 V HN 0.929 nan 8.190 nan 0.000 0.487 252 V N 4.428 124.322 119.914 -0.032 0.000 2.680 252 V HA 0.406 4.526 4.120 -0.000 0.000 0.309 252 V C -0.307 175.790 176.094 0.006 0.000 1.052 252 V CA -0.709 61.613 62.300 0.036 0.000 0.908 252 V CB 1.909 33.781 31.823 0.081 0.000 1.001 252 V HN 0.849 nan 8.190 nan 0.000 0.431 253 H N 3.535 122.677 119.070 0.121 0.000 2.690 253 H HA 0.255 4.811 4.556 -0.000 0.000 0.280 253 H C 0.152 175.553 175.328 0.122 0.000 1.138 253 H CA -0.530 55.605 56.048 0.145 0.000 1.241 253 H CB 1.177 30.999 29.762 0.100 0.000 1.394 253 H HN 0.598 nan 8.280 nan 0.000 0.489 254 K N 4.433 124.976 120.400 0.238 0.000 2.550 254 K HA 0.007 4.327 4.320 -0.000 0.000 0.280 254 K C -2.317 174.322 176.600 0.065 0.000 0.987 254 K CA -0.868 55.444 56.287 0.041 0.000 1.048 254 K CB 0.319 32.698 32.500 -0.201 0.000 0.879 254 K HN 0.248 nan 8.250 nan 0.000 0.491 255 P HA 0.053 nan 4.420 nan 0.000 0.269 255 P C -0.816 176.492 177.300 0.014 0.000 1.209 255 P CA 0.159 63.270 63.100 0.018 0.000 0.776 255 P CB 0.473 32.165 31.700 -0.013 0.000 0.876 256 I N 4.110 124.725 120.570 0.075 0.000 2.428 256 I HA 0.243 4.413 4.170 -0.000 0.000 0.279 256 I C -1.502 174.725 176.117 0.184 0.000 1.040 256 I CA -1.993 59.405 61.300 0.164 0.000 1.171 256 I CB 1.098 39.230 38.000 0.219 0.000 1.312 256 I HN 0.302 nan 8.210 nan 0.000 0.470 257 P HA 0.079 nan 4.420 nan 0.000 0.274 257 P C 1.069 178.522 177.300 0.254 0.000 1.264 257 P CA -0.232 62.976 63.100 0.180 0.000 0.795 257 P CB 0.766 32.535 31.700 0.116 0.000 1.064 258 G N -1.033 107.873 108.800 0.176 0.000 2.586 258 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 258 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 258 G C 1.045 176.050 174.900 0.175 0.000 1.128 258 G CA 0.037 45.218 45.100 0.136 0.000 0.774 258 G HN 0.747 nan 8.290 nan 0.000 0.543 259 W N 0.676 121.981 121.300 0.008 0.000 2.848 259 W HA 0.145 4.805 4.660 -0.000 0.000 0.241 259 W C 0.900 177.428 176.519 0.014 0.000 1.289 259 W CA -0.353 56.999 57.345 0.011 0.000 1.396 259 W CB 0.288 29.754 29.460 0.010 0.000 1.138 259 W HN 0.036 nan 8.180 nan 0.000 0.677 260 Q N 2.678 122.470 119.800 -0.013 0.000 2.426 260 Q HA -0.025 4.315 4.340 -0.000 0.000 0.253 260 Q C -0.864 174.892 176.000 -0.406 0.000 1.313 260 Q CA 0.846 56.476 55.803 -0.289 0.000 0.902 260 Q CB -0.290 28.433 28.738 -0.026 0.000 1.563 260 Q HN 0.130 nan 8.270 nan 0.000 0.517 261 S N 2.333 117.610 115.700 -0.704 0.000 2.733 261 S HA 0.158 4.628 4.470 -0.000 0.000 0.307 261 S C 1.079 175.436 174.600 -0.406 0.000 1.127 261 S CA -0.637 57.298 58.200 -0.441 0.000 1.097 261 S CB 1.596 64.557 63.200 -0.397 0.000 1.003 261 S HN 0.486 nan 8.310 nan 0.000 0.477 262 T N 3.278 117.685 114.554 -0.246 0.000 2.653 262 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 262 T C 1.741 176.377 174.700 -0.106 0.000 1.035 262 T CA 1.422 63.425 62.100 -0.162 0.000 1.154 262 T CB -0.409 68.402 68.868 -0.096 0.000 0.862 262 T HN 0.508 nan 8.240 nan 0.000 0.441 263 L N 0.418 121.579 121.223 -0.102 0.000 2.261 263 L HA -0.112 4.228 4.340 -0.000 0.000 0.216 263 L C 2.664 179.549 176.870 0.025 0.000 1.114 263 L CA 1.447 56.279 54.840 -0.013 0.000 0.777 263 L CB -0.502 41.493 42.059 -0.106 0.000 0.910 263 L HN 0.410 nan 8.230 nan 0.000 0.440 264 E N -0.213 119.911 120.200 -0.126 0.000 2.127 264 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 264 E C 2.166 178.742 176.600 -0.039 0.000 0.964 264 E CA 0.235 56.576 56.400 -0.097 0.000 0.832 264 E CB 0.205 29.745 29.700 -0.267 0.000 0.790 264 E HN 0.480 nan 8.360 nan 0.000 0.465 265 Q N 0.285 119.963 119.800 -0.204 0.000 2.084 265 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 265 Q C 1.952 177.939 176.000 -0.021 0.000 0.978 265 Q CA 1.218 57.018 55.803 -0.006 0.000 0.844 265 Q CB -0.137 28.539 28.738 -0.104 0.000 0.898 265 Q HN 0.104 nan 8.270 nan 0.000 0.426 266 R N -0.297 120.159 120.500 -0.073 0.000 2.339 266 R HA 0.018 4.358 4.340 -0.000 0.000 0.199 266 R C 1.004 177.131 176.300 -0.288 0.000 1.018 266 R CA 0.555 56.558 56.100 -0.162 0.000 1.036 266 R CB 0.072 30.327 30.300 -0.074 0.000 0.899 266 R HN 0.475 nan 8.270 nan 0.000 0.473 267 G N -0.002 108.719 108.800 -0.131 0.000 2.176 267 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.253 267 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.253 267 G C 0.658 175.461 174.900 -0.162 0.000 0.979 267 G CA 0.122 45.175 45.100 -0.078 0.000 0.641 267 G HN 0.330 nan 8.290 nan 0.000 0.530 268 F N 0.682 120.530 119.950 -0.170 0.000 2.102 268 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 268 F C 2.910 178.622 175.800 -0.147 0.000 1.105 268 F CA 1.902 59.687 58.000 -0.359 0.000 1.239 268 F CB -0.709 37.944 39.000 -0.579 0.000 0.991 268 F HN 0.168 nan 8.300 nan 0.000 0.474 269 V N 0.251 120.243 119.914 0.131 0.000 2.219 269 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 269 V C 2.711 178.887 176.094 0.137 0.000 1.053 269 V CA 2.188 64.576 62.300 0.148 0.000 1.009 269 V CB -1.681 30.223 31.823 0.135 0.000 0.636 269 V HN 0.499 nan 8.190 nan 0.000 0.445 270 G N -1.703 107.165 108.800 0.114 0.000 2.475 270 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.220 270 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.220 270 G C 1.833 176.592 174.900 -0.236 0.000 1.125 270 G CA 1.240 46.385 45.100 0.075 0.000 0.755 270 G HN 0.553 nan 8.290 nan 0.000 0.565 271 C N 0.598 119.689 119.300 -0.349 0.000 2.453 271 C HA 0.227 4.687 4.460 -0.000 0.000 0.277 271 C C 3.456 178.390 174.990 -0.092 0.000 1.262 271 C CA 1.543 60.175 59.018 -0.643 0.000 1.718 271 C CB -1.055 26.611 27.740 -0.123 0.000 2.031 271 C HN 0.561 nan 8.230 nan 0.000 0.480 272 A N 0.791 123.742 122.820 0.218 0.000 1.865 272 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 272 A C 2.342 179.990 177.584 0.107 0.000 1.191 272 A CA 1.598 53.820 52.037 0.308 0.000 0.623 272 A CB -0.714 18.394 19.000 0.180 0.000 0.826 272 A HN 0.705 nan 8.150 nan 0.000 0.444 273 R N -1.323 119.231 120.500 0.090 0.000 2.103 273 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 273 R C 2.258 178.596 176.300 0.063 0.000 1.142 273 R CA 1.600 57.766 56.100 0.109 0.000 0.960 273 R CB -0.819 29.598 30.300 0.195 0.000 0.858 273 R HN 0.795 nan 8.270 nan 0.000 0.439 274 H N -0.077 118.951 119.070 -0.069 0.000 2.387 274 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 274 H C 1.933 177.250 175.328 -0.019 0.000 1.090 274 H CA 1.661 57.673 56.048 -0.061 0.000 1.332 274 H CB -0.074 29.569 29.762 -0.199 0.000 1.386 274 H HN 0.115 nan 8.280 nan 0.000 0.516 275 F N 1.366 121.238 119.950 -0.129 0.000 2.051 275 F HA -0.149 4.378 4.527 -0.000 0.000 0.296 275 F C 2.458 178.110 175.800 -0.248 0.000 1.122 275 F CA 1.322 59.199 58.000 -0.204 0.000 1.201 275 F CB -0.921 37.921 39.000 -0.264 0.000 0.978 275 F HN 0.056 nan 8.300 nan 0.000 0.472 276 I N 0.222 120.532 120.570 -0.434 0.000 2.286 276 I HA -0.278 3.893 4.170 -0.000 0.000 0.248 276 I C 2.310 178.203 176.117 -0.373 0.000 1.115 276 I CA 1.621 62.601 61.300 -0.533 0.000 1.392 276 I CB -0.484 37.296 38.000 -0.367 0.000 1.065 276 I HN 0.223 nan 8.210 nan 0.000 0.418 277 E N 0.010 120.060 120.200 -0.250 0.000 2.051 277 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 277 E C 2.321 178.761 176.600 -0.267 0.000 0.991 277 E CA 1.716 58.000 56.400 -0.193 0.000 0.799 277 E CB -0.099 29.518 29.700 -0.138 0.000 0.748 277 E HN 0.512 nan 8.360 nan 0.000 0.449 278 C N -0.194 118.891 119.300 -0.359 0.000 2.425 278 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 278 C C 2.593 177.370 174.990 -0.356 0.000 1.280 278 C CA 0.250 59.074 59.018 -0.323 0.000 1.744 278 C CB -0.721 26.838 27.740 -0.301 0.000 1.989 278 C HN 0.261 nan 8.230 nan 0.000 0.491 279 V N 2.006 121.598 119.914 -0.536 0.000 2.261 279 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 279 V C 2.720 178.554 176.094 -0.434 0.000 1.047 279 V CA 2.450 64.336 62.300 -0.689 0.000 1.015 279 V CB -1.062 30.172 31.823 -0.981 0.000 0.642 279 V HN 0.725 nan 8.190 nan 0.000 0.446 280 Q N 0.564 120.176 119.800 -0.314 0.000 2.172 280 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 280 Q C 1.456 177.376 176.000 -0.134 0.000 0.964 280 Q CA 2.096 57.791 55.803 -0.180 0.000 0.855 280 Q CB -0.546 28.120 28.738 -0.120 0.000 0.918 280 Q HN 0.748 nan 8.270 nan 0.000 0.444 281 N N 0.445 119.058 118.700 -0.144 0.000 2.336 281 N HA 0.020 4.760 4.740 -0.000 0.000 0.189 281 N C -0.642 174.812 175.510 -0.094 0.000 1.113 281 N CA -0.061 52.930 53.050 -0.099 0.000 0.858 281 N CB 0.288 38.723 38.487 -0.087 0.000 0.970 281 N HN 0.203 nan 8.380 nan 0.000 0.471 282 Q N 0.869 120.593 119.800 -0.127 0.000 2.443 282 Q HA -0.162 4.178 4.340 -0.000 0.000 0.337 282 Q C -0.752 175.205 176.000 -0.070 0.000 1.401 282 Q CA 0.594 56.339 55.803 -0.098 0.000 0.943 282 Q CB -1.438 27.266 28.738 -0.057 0.000 1.177 282 Q HN 0.477 nan 8.270 nan 0.000 0.394 283 T N -4.281 110.220 114.554 -0.089 0.000 2.910 283 T HA 0.742 5.092 4.350 -0.000 0.000 0.287 283 T C 0.089 174.763 174.700 -0.043 0.000 1.050 283 T CA -0.901 61.166 62.100 -0.054 0.000 1.011 283 T CB 1.785 70.621 68.868 -0.054 0.000 1.195 283 T HN 0.043 nan 8.240 nan 0.000 0.540 284 V N 2.980 122.894 119.914 0.000 0.000 2.406 284 V HA 0.396 4.516 4.120 -0.000 0.000 0.272 284 V C -1.757 174.386 176.094 0.082 0.000 1.043 284 V CA -1.578 60.742 62.300 0.034 0.000 0.915 284 V CB 0.216 32.068 31.823 0.048 0.000 0.988 284 V HN 0.833 nan 8.190 nan 0.000 0.466 285 P HA 0.106 nan 4.420 nan 0.000 0.272 285 P C 0.368 177.856 177.300 0.314 0.000 1.230 285 P CA -0.275 62.994 63.100 0.281 0.000 0.788 285 P CB 1.090 32.940 31.700 0.251 0.000 0.949 286 Q N 0.253 120.319 119.800 0.444 0.000 2.364 286 Q HA -0.070 4.270 4.340 -0.000 0.000 0.209 286 Q C 0.722 176.789 176.000 0.112 0.000 0.977 286 Q CA 1.513 57.422 55.803 0.177 0.000 0.885 286 Q CB -0.146 28.579 28.738 -0.022 0.000 0.941 286 Q HN 0.621 nan 8.270 nan 0.000 0.464 287 T N -3.054 111.608 114.554 0.180 0.000 3.308 287 T HA 0.678 5.028 4.350 -0.000 0.000 0.270 287 T C -0.215 174.554 174.700 0.114 0.000 0.992 287 T CA -0.202 61.992 62.100 0.158 0.000 0.931 287 T CB 0.769 69.763 68.868 0.211 0.000 1.142 287 T HN 0.136 nan 8.240 nan 0.000 0.525 288 A N 0.024 122.906 122.820 0.104 0.000 2.344 288 A HA 1.019 5.339 4.320 -0.000 0.000 0.307 288 A C 1.046 178.667 177.584 0.063 0.000 1.151 288 A CA -0.147 51.932 52.037 0.072 0.000 0.842 288 A CB 0.648 19.693 19.000 0.074 0.000 1.350 288 A HN 1.361 nan 8.150 nan 0.000 0.459 289 G N -0.108 108.720 108.800 0.047 0.000 2.596 289 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.295 289 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.295 289 G C 0.753 175.681 174.900 0.046 0.000 1.240 289 G CA 0.619 45.745 45.100 0.043 0.000 0.985 289 G HN 0.795 nan 8.290 nan 0.000 0.555 290 E N -0.218 120.008 120.200 0.044 0.000 2.267 290 E HA -0.140 4.210 4.350 -0.000 0.000 0.197 290 E C 2.560 179.190 176.600 0.051 0.000 0.998 290 E CA 1.676 58.102 56.400 0.043 0.000 0.830 290 E CB -0.086 29.637 29.700 0.037 0.000 0.751 290 E HN 0.489 nan 8.360 nan 0.000 0.491 291 Q N -0.239 119.597 119.800 0.060 0.000 2.378 291 Q HA 0.052 4.392 4.340 -0.000 0.000 0.205 291 Q C 1.247 177.313 176.000 0.111 0.000 0.954 291 Q CA 0.938 56.782 55.803 0.069 0.000 0.901 291 Q CB 0.044 28.825 28.738 0.070 0.000 0.981 291 Q HN 0.169 nan 8.270 nan 0.000 0.483 292 A N -0.998 121.885 122.820 0.106 0.000 2.370 292 A HA 0.332 4.652 4.320 -0.000 0.000 0.238 292 A C 0.753 178.410 177.584 0.121 0.000 1.289 292 A CA 0.418 52.532 52.037 0.129 0.000 0.885 292 A CB 0.419 19.448 19.000 0.048 0.000 0.961 292 A HN 0.206 nan 8.150 nan 0.000 0.499 293 V N -1.496 118.482 119.914 0.107 0.000 4.172 293 V HA 0.158 4.278 4.120 -0.000 0.000 0.403 293 V C 1.018 177.145 176.094 0.056 0.000 1.715 293 V CA 0.114 62.462 62.300 0.080 0.000 1.685 293 V CB -0.449 31.405 31.823 0.052 0.000 1.046 293 V HN 0.479 nan 8.190 nan 0.000 0.469 294 L N 0.629 121.879 121.223 0.045 0.000 2.056 294 L HA 0.018 4.358 4.340 -0.000 0.000 0.207 294 L C 2.481 179.345 176.870 -0.010 0.000 1.078 294 L CA 2.278 57.126 54.840 0.014 0.000 0.749 294 L CB -0.092 41.966 42.059 -0.002 0.000 0.901 294 L HN 0.512 nan 8.230 nan 0.000 0.433 295 A N -1.230 121.566 122.820 -0.040 0.000 1.930 295 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 295 A C 2.150 179.718 177.584 -0.026 0.000 1.176 295 A CA 1.275 53.263 52.037 -0.083 0.000 0.632 295 A CB -0.423 18.469 19.000 -0.179 0.000 0.819 295 A HN 0.527 nan 8.150 nan 0.000 0.445 296 Q N -0.352 119.459 119.800 0.017 0.000 2.124 296 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 296 Q C 2.273 178.295 176.000 0.037 0.000 0.977 296 Q CA 1.528 57.346 55.803 0.025 0.000 0.850 296 Q CB -0.146 28.613 28.738 0.036 0.000 0.901 296 Q HN 0.657 nan 8.270 nan 0.000 0.429 297 R N 0.067 120.590 120.500 0.038 0.000 2.152 297 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 297 R C 1.966 178.301 176.300 0.058 0.000 1.117 297 R CA 1.156 57.284 56.100 0.048 0.000 0.981 297 R CB -0.069 30.256 30.300 0.042 0.000 0.870 297 R HN 0.363 nan 8.270 nan 0.000 0.451 298 I N -0.336 120.265 120.570 0.051 0.000 2.296 298 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 298 I C 2.152 178.311 176.117 0.070 0.000 1.087 298 I CA 0.623 61.966 61.300 0.071 0.000 1.393 298 I CB -0.134 37.919 38.000 0.088 0.000 1.093 298 I HN -0.013 nan 8.210 nan 0.000 0.421 299 V N 1.155 121.102 119.914 0.055 0.000 2.332 299 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 299 V C 2.190 178.376 176.094 0.153 0.000 1.055 299 V CA 2.380 64.731 62.300 0.085 0.000 1.038 299 V CB -0.717 31.140 31.823 0.058 0.000 0.651 299 V HN 0.479 nan 8.190 nan 0.000 0.450 300 D N 0.350 120.838 120.400 0.147 0.000 2.092 300 D HA -0.250 4.390 4.640 -0.000 0.000 0.193 300 D C 2.121 178.573 176.300 0.253 0.000 0.994 300 D CA 1.772 55.907 54.000 0.226 0.000 0.828 300 D CB -0.171 40.727 40.800 0.164 0.000 0.963 300 D HN 0.356 nan 8.370 nan 0.000 0.450 301 K N 0.438 120.930 120.400 0.153 0.000 2.044 301 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 301 K C 2.142 178.804 176.600 0.102 0.000 1.049 301 K CA 1.504 57.858 56.287 0.111 0.000 0.927 301 K CB -0.683 31.858 32.500 0.068 0.000 0.713 301 K HN 0.322 nan 8.250 nan 0.000 0.443 302 I N -0.595 120.030 120.570 0.091 0.000 2.163 302 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 302 I C 2.234 178.433 176.117 0.137 0.000 1.085 302 I CA 1.702 63.037 61.300 0.059 0.000 1.347 302 I CB -0.365 37.614 38.000 -0.034 0.000 1.044 302 I HN 0.405 nan 8.210 nan 0.000 0.408 303 W N 1.900 123.228 121.300 0.046 0.000 2.379 303 W HA -0.175 4.485 4.660 0.000 0.000 0.307 303 W C 2.733 179.265 176.519 0.021 0.000 1.200 303 W CA 1.360 58.741 57.345 0.061 0.000 1.297 303 W CB -0.241 29.295 29.460 0.127 0.000 1.140 303 W HN -0.123 nan 8.180 nan 0.000 0.507 304 R N 0.201 120.785 120.500 0.140 0.000 2.083 304 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 304 R C 1.864 178.027 176.300 -0.228 0.000 1.137 304 R CA 2.125 58.151 56.100 -0.122 0.000 0.951 304 R CB -0.754 29.595 30.300 0.081 0.000 0.851 304 R HN 0.114 nan 8.270 nan 0.000 0.434 305 D N 0.086 120.425 120.400 -0.103 0.000 2.182 305 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 305 D C 1.699 177.913 176.300 -0.145 0.000 0.986 305 D CA 1.478 55.420 54.000 -0.096 0.000 0.847 305 D CB -0.213 40.565 40.800 -0.036 0.000 0.942 305 D HN 0.317 nan 8.370 nan 0.000 0.467 306 A N 0.778 123.483 122.820 -0.192 0.000 1.898 306 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 306 A C 1.961 179.371 177.584 -0.289 0.000 1.181 306 A CA 1.009 52.926 52.037 -0.200 0.000 0.620 306 A CB -0.313 18.576 19.000 -0.185 0.000 0.819 306 A HN 0.104 nan 8.150 nan 0.000 0.442 307 M N 0.583 119.883 119.600 -0.499 0.000 2.691 307 M HA 0.152 4.632 4.480 -0.000 0.000 0.227 307 M C 0.141 176.264 176.300 -0.296 0.000 1.120 307 M CA 0.427 55.434 55.300 -0.489 0.000 1.034 307 M CB -1.114 30.965 32.600 -0.868 0.000 1.675 307 M HN 0.212 nan 8.290 nan 0.000 0.514 308 S N 0.000 115.571 115.700 -0.216 0.000 2.498 308 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 308 S CA 0.000 58.117 58.200 -0.138 0.000 1.107 308 S CB 0.000 63.132 63.200 -0.113 0.000 0.593 308 S HN 0.000 nan 8.310 nan 0.000 0.517