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 1kvl_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG GVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.438 177.584 -0.243 0.000 1.274 4 A CA 0.000 51.892 52.037 -0.242 0.000 0.836 4 A CB 0.000 18.794 19.000 -0.343 0.000 0.831 5 P HA -0.032 nan 4.420 nan 0.000 0.269 5 P C 0.552 177.742 177.300 -0.183 0.000 1.211 5 P CA 0.069 63.035 63.100 -0.224 0.000 0.781 5 P CB 0.598 32.136 31.700 -0.269 0.000 0.877 6 Q N 1.208 120.939 119.800 -0.114 0.000 2.135 6 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 6 Q C 2.021 177.968 176.000 -0.088 0.000 0.981 6 Q CA 1.969 57.727 55.803 -0.074 0.000 0.856 6 Q CB -0.179 28.532 28.738 -0.046 0.000 0.902 6 Q HN 0.572 nan 8.270 nan 0.000 0.425 7 Q N -0.179 119.540 119.800 -0.134 0.000 2.096 7 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 7 Q C 2.166 178.068 176.000 -0.162 0.000 0.982 7 Q CA 1.552 57.269 55.803 -0.142 0.000 0.850 7 Q CB -0.077 28.552 28.738 -0.182 0.000 0.901 7 Q HN 0.494 nan 8.270 nan 0.000 0.422 8 I N 0.637 121.066 120.570 -0.235 0.000 2.233 8 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 8 I C 2.151 178.228 176.117 -0.067 0.000 1.093 8 I CA 0.668 61.850 61.300 -0.196 0.000 1.380 8 I CB -0.503 37.317 38.000 -0.301 0.000 1.067 8 I HN 0.249 nan 8.210 nan 0.000 0.413 9 N N 0.949 119.658 118.700 0.016 0.000 2.104 9 N HA -0.245 4.495 4.740 -0.000 0.000 0.190 9 N C 1.513 177.071 175.510 0.080 0.000 1.024 9 N CA 1.897 55.024 53.050 0.129 0.000 0.853 9 N CB -0.395 38.148 38.487 0.094 0.000 1.008 9 N HN 0.378 nan 8.380 nan 0.000 0.424 10 D N 0.487 120.906 120.400 0.033 0.000 2.084 10 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 10 D C 1.950 178.271 176.300 0.036 0.000 0.990 10 D CA 0.640 54.670 54.000 0.050 0.000 0.826 10 D CB -0.196 40.611 40.800 0.012 0.000 0.971 10 D HN 0.108 nan 8.370 nan 0.000 0.453 11 I N -0.211 120.349 120.570 -0.018 0.000 2.315 11 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 11 I C 2.082 178.179 176.117 -0.032 0.000 1.117 11 I CA 0.844 62.126 61.300 -0.030 0.000 1.404 11 I CB -0.167 37.801 38.000 -0.054 0.000 1.071 11 I HN -0.011 nan 8.210 nan 0.000 0.419 12 V N 0.333 120.198 119.914 -0.083 0.000 2.358 12 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 12 V C 2.542 178.694 176.094 0.096 0.000 1.047 12 V CA 2.325 64.550 62.300 -0.125 0.000 1.035 12 V CB -1.073 30.390 31.823 -0.600 0.000 0.658 12 V HN 0.577 nan 8.190 nan 0.000 0.452 13 H N 0.309 119.405 119.070 0.045 0.000 2.353 13 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 13 H C 2.580 177.965 175.328 0.094 0.000 1.090 13 H CA 1.549 57.685 56.048 0.147 0.000 1.327 13 H CB 0.260 30.096 29.762 0.123 0.000 1.383 13 H HN 0.290 nan 8.280 nan 0.000 0.508 14 R N -0.564 119.922 120.500 -0.023 0.000 2.189 14 R HA -0.042 4.298 4.340 -0.000 0.000 0.218 14 R C 1.936 178.196 176.300 -0.068 0.000 1.074 14 R CA 1.553 57.591 56.100 -0.103 0.000 0.991 14 R CB 0.205 30.475 30.300 -0.050 0.000 0.883 14 R HN 0.314 nan 8.270 nan 0.000 0.457 15 T N 0.281 114.817 114.554 -0.030 0.000 2.980 15 T HA 0.120 4.469 4.350 -0.000 0.000 0.239 15 T C 1.710 176.372 174.700 -0.064 0.000 1.011 15 T CA 0.283 62.366 62.100 -0.029 0.000 1.171 15 T CB 0.184 69.050 68.868 -0.003 0.000 0.873 15 T HN -0.043 nan 8.240 nan 0.000 0.431 16 I N 2.232 122.755 120.570 -0.078 0.000 2.286 16 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 16 I C 2.588 178.481 176.117 -0.372 0.000 1.104 16 I CA 1.350 62.500 61.300 -0.251 0.000 1.397 16 I CB -1.812 35.965 38.000 -0.372 0.000 1.072 16 I HN 0.261 nan 8.210 nan 0.000 0.417 17 T N 2.104 116.574 114.554 -0.140 0.000 2.684 17 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 17 T C -0.289 174.323 174.700 -0.146 0.000 1.036 17 T CA 1.630 63.679 62.100 -0.084 0.000 1.148 17 T CB -1.345 67.707 68.868 0.307 0.000 0.863 17 T HN 0.246 nan 8.240 nan 0.000 0.436 18 P HA 0.056 nan 4.420 nan 0.000 0.217 18 P C 1.656 178.878 177.300 -0.130 0.000 1.151 18 P CA 0.371 63.407 63.100 -0.107 0.000 0.828 18 P CB -0.153 31.494 31.700 -0.088 0.000 0.788 19 L N -0.571 120.554 121.223 -0.162 0.000 2.042 19 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 19 L C 2.114 178.828 176.870 -0.260 0.000 1.076 19 L CA 1.854 56.584 54.840 -0.183 0.000 0.749 19 L CB -1.093 40.853 42.059 -0.188 0.000 0.893 19 L HN -0.142 nan 8.230 nan 0.000 0.432 20 I N -0.476 119.898 120.570 -0.327 0.000 2.226 20 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 20 I C 2.401 178.398 176.117 -0.200 0.000 1.100 20 I CA 1.051 62.156 61.300 -0.325 0.000 1.374 20 I CB -0.418 37.339 38.000 -0.405 0.000 1.057 20 I HN 0.323 nan 8.210 nan 0.000 0.413 21 E N 0.558 120.669 120.200 -0.148 0.000 2.072 21 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 21 E C 2.173 178.726 176.600 -0.079 0.000 0.985 21 E CA 1.190 57.537 56.400 -0.089 0.000 0.801 21 E CB -0.280 29.384 29.700 -0.059 0.000 0.750 21 E HN 0.608 nan 8.360 nan 0.000 0.452 22 Q N 0.163 119.910 119.800 -0.088 0.000 2.119 22 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 22 Q C 1.911 177.873 176.000 -0.063 0.000 0.972 22 Q CA 0.886 56.651 55.803 -0.063 0.000 0.847 22 Q CB 0.109 28.815 28.738 -0.054 0.000 0.903 22 Q HN 0.147 nan 8.270 nan 0.000 0.433 23 Q N 0.121 119.855 119.800 -0.109 0.000 2.392 23 Q HA 0.041 4.381 4.340 -0.000 0.000 0.203 23 Q C -0.208 175.740 176.000 -0.086 0.000 0.917 23 Q CA 0.266 56.008 55.803 -0.102 0.000 0.939 23 Q CB 0.679 29.276 28.738 -0.234 0.000 1.063 23 Q HN 0.171 nan 8.270 nan 0.000 0.516 24 K N 0.438 120.784 120.400 -0.090 0.000 3.096 24 K HA -0.178 4.142 4.320 -0.000 0.000 0.266 24 K C -0.416 176.143 176.600 -0.069 0.000 1.043 24 K CA 0.417 56.664 56.287 -0.065 0.000 0.758 24 K CB -2.426 30.054 32.500 -0.034 0.000 1.260 24 K HN 0.333 nan 8.250 nan 0.000 0.481 25 I N 1.315 121.816 120.570 -0.114 0.000 2.396 25 I HA 0.013 4.183 4.170 -0.000 0.000 0.289 25 I C -0.761 175.336 176.117 -0.033 0.000 1.056 25 I CA -1.950 59.299 61.300 -0.086 0.000 1.365 25 I CB 0.776 38.662 38.000 -0.191 0.000 1.407 25 I HN -0.047 nan 8.210 nan 0.000 0.509 26 P HA -0.022 nan 4.420 nan 0.000 0.216 26 P C 0.336 177.696 177.300 0.099 0.000 1.153 26 P CA 0.516 63.617 63.100 0.001 0.000 0.848 26 P CB 0.292 31.915 31.700 -0.128 0.000 0.787 27 G N -1.372 107.544 108.800 0.194 0.000 2.733 27 G HA2 0.669 4.629 3.960 -0.000 0.000 0.297 27 G HA3 0.669 4.629 3.960 -0.000 0.000 0.297 27 G C -1.930 173.219 174.900 0.415 0.000 1.422 27 G CA -0.356 44.927 45.100 0.305 0.000 0.942 27 G HN 0.037 nan 8.290 nan 0.000 0.510 28 M N 1.264 121.149 119.600 0.474 0.000 2.413 28 M HA 0.729 5.209 4.480 -0.000 0.000 0.287 28 M C -1.497 175.148 176.300 0.575 0.000 1.186 28 M CA -0.554 55.002 55.300 0.427 0.000 0.927 28 M CB 2.263 34.950 32.600 0.145 0.000 1.715 28 M HN 1.077 nan 8.290 nan 0.000 0.478 29 A N 3.274 126.310 122.820 0.361 0.000 2.393 29 A HA 0.888 5.208 4.320 -0.000 0.000 0.306 29 A C -1.754 176.055 177.584 0.375 0.000 1.050 29 A CA -0.623 51.666 52.037 0.419 0.000 0.724 29 A CB 1.833 21.031 19.000 0.331 0.000 1.248 29 A HN 0.637 nan 8.150 nan 0.000 0.424 30 V N 0.614 120.860 119.914 0.553 0.000 2.876 30 V HA 0.843 4.963 4.120 -0.000 0.000 0.312 30 V C 0.061 176.481 176.094 0.543 0.000 1.085 30 V CA -0.181 62.413 62.300 0.490 0.000 0.945 30 V CB 1.977 34.111 31.823 0.519 0.000 1.017 30 V HN 1.485 nan 8.190 nan 0.000 0.428 31 A N 3.315 126.373 122.820 0.397 0.000 2.371 31 A HA 0.898 5.218 4.320 -0.000 0.000 0.311 31 A C -1.296 176.434 177.584 0.243 0.000 1.068 31 A CA -0.553 51.663 52.037 0.299 0.000 0.744 31 A CB 1.907 21.043 19.000 0.226 0.000 1.239 31 A HN 0.656 nan 8.150 nan 0.000 0.435 32 V N 2.994 123.068 119.914 0.268 0.000 2.495 32 V HA 0.414 4.534 4.120 -0.000 0.000 0.298 32 V C -0.906 175.307 176.094 0.199 0.000 1.031 32 V CA -0.308 62.135 62.300 0.238 0.000 0.871 32 V CB 1.509 33.508 31.823 0.293 0.000 0.988 32 V HN 0.728 nan 8.190 nan 0.000 0.432 33 I N 5.444 126.089 120.570 0.126 0.000 2.312 33 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 33 I C -0.716 175.501 176.117 0.167 0.000 1.008 33 I CA -0.210 61.138 61.300 0.078 0.000 1.226 33 I CB 0.927 38.908 38.000 -0.031 0.000 1.371 33 I HN 0.602 nan 8.210 nan 0.000 0.468 34 Y N 5.413 125.790 120.300 0.127 0.000 2.331 34 Y HA 0.334 4.884 4.550 0.000 0.000 0.334 34 Y C 0.271 176.222 175.900 0.085 0.000 0.960 34 Y CA -0.638 57.532 58.100 0.116 0.000 1.130 34 Y CB 1.077 39.641 38.460 0.174 0.000 1.164 34 Y HN 0.661 nan 8.280 nan 0.000 0.458 35 Q N 4.549 124.038 119.800 -0.517 0.000 2.434 35 Q HA -0.282 4.058 4.340 -0.000 0.000 0.299 35 Q C 1.101 177.002 176.000 -0.164 0.000 1.286 35 Q CA 1.138 56.716 55.803 -0.376 0.000 0.872 35 Q CB -1.671 26.822 28.738 -0.407 0.000 1.193 35 Q HN 1.348 nan 8.270 nan 0.000 0.466 36 G N -0.180 108.539 108.800 -0.135 0.000 2.212 36 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.266 36 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.266 36 G C 0.078 174.924 174.900 -0.091 0.000 0.978 36 G CA 0.800 45.835 45.100 -0.109 0.000 0.632 36 G HN 0.376 nan 8.290 nan 0.000 0.537 37 K N 1.399 121.759 120.400 -0.066 0.000 2.156 37 K HA 0.588 4.908 4.320 -0.000 0.000 0.254 37 K C -2.584 173.827 176.600 -0.315 0.000 0.950 37 K CA -2.168 54.017 56.287 -0.170 0.000 0.849 37 K CB 2.549 34.945 32.500 -0.173 0.000 1.100 37 K HN 0.083 nan 8.250 nan 0.000 0.434 38 P HA 0.227 nan 4.420 nan 0.000 0.290 38 P C -1.596 175.083 177.300 -1.035 0.000 1.275 38 P CA -0.404 62.346 63.100 -0.584 0.000 0.841 38 P CB 0.750 32.179 31.700 -0.451 0.000 1.042 39 Y N 0.930 120.941 120.300 -0.481 0.000 2.373 39 Y HA 0.419 4.969 4.550 -0.000 0.000 0.336 39 Y C -0.078 175.434 175.900 -0.647 0.000 0.979 39 Y CA -0.453 57.376 58.100 -0.452 0.000 1.080 39 Y CB 1.737 40.132 38.460 -0.110 0.000 1.190 39 Y HN 0.286 nan 8.280 nan 0.000 0.446 40 Y N 2.642 122.762 120.300 -0.299 0.000 2.420 40 Y HA 0.711 5.261 4.550 -0.000 0.000 0.334 40 Y C -0.900 174.582 175.900 -0.697 0.000 1.094 40 Y CA -1.210 56.735 58.100 -0.258 0.000 1.126 40 Y CB 1.483 39.879 38.460 -0.107 0.000 1.217 40 Y HN 0.387 nan 8.280 nan 0.000 0.462 41 F N 0.227 120.280 119.950 0.172 0.000 2.574 41 F HA 0.584 5.111 4.527 -0.000 0.000 0.313 41 F C -0.403 175.299 175.800 -0.162 0.000 1.130 41 F CA -0.953 56.969 58.000 -0.131 0.000 0.936 41 F CB 2.370 41.285 39.000 -0.143 0.000 1.219 41 F HN 0.390 nan 8.300 nan 0.000 0.445 42 T N -1.341 113.038 114.554 -0.292 0.000 2.906 42 T HA 0.674 5.023 4.350 -0.000 0.000 0.295 42 T C -1.542 173.023 174.700 -0.225 0.000 1.061 42 T CA -0.749 61.328 62.100 -0.039 0.000 1.000 42 T CB 1.948 70.855 68.868 0.066 0.000 1.103 42 T HN 0.625 nan 8.240 nan 0.000 0.486 43 W N 0.534 121.916 121.300 0.137 0.000 3.274 43 W HA 0.485 5.144 4.660 -0.000 0.000 0.327 43 W C 0.749 177.282 176.519 0.024 0.000 1.172 43 W CA -0.283 57.102 57.345 0.067 0.000 1.217 43 W CB 1.770 31.272 29.460 0.070 0.000 1.376 43 W HN 1.404 nan 8.180 nan 0.000 0.507 44 G N 1.745 110.614 108.800 0.115 0.000 2.569 44 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.259 44 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.259 44 G C -1.489 173.317 174.900 -0.156 0.000 1.263 44 G CA -0.254 44.764 45.100 -0.136 0.000 0.928 44 G HN 0.555 nan 8.290 nan 0.000 0.572 45 Y N 0.063 120.446 120.300 0.139 0.000 2.429 45 Y HA 0.573 5.123 4.550 -0.000 0.000 0.342 45 Y C 1.331 177.327 175.900 0.161 0.000 1.004 45 Y CA -0.362 57.813 58.100 0.124 0.000 1.075 45 Y CB 2.030 40.532 38.460 0.068 0.000 1.214 45 Y HN 0.801 nan 8.280 nan 0.000 0.455 46 A N 0.845 123.869 122.820 0.339 0.000 2.021 46 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 46 A C 0.149 177.936 177.584 0.338 0.000 1.163 46 A CA 1.236 53.411 52.037 0.230 0.000 0.676 46 A CB 0.065 19.135 19.000 0.116 0.000 0.818 46 A HN 0.667 nan 8.150 nan 0.000 0.453 47 D N -1.165 119.433 120.400 0.330 0.000 2.479 47 D HA 0.391 5.031 4.640 -0.000 0.000 0.246 47 D C 0.582 176.947 176.300 0.108 0.000 1.336 47 D CA -0.469 53.741 54.000 0.350 0.000 0.967 47 D CB 0.692 41.678 40.800 0.309 0.000 1.275 47 D HN 0.109 nan 8.370 nan 0.000 0.577 48 I N 2.214 122.838 120.570 0.089 0.000 2.179 48 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 48 I C 2.430 178.413 176.117 -0.224 0.000 1.088 48 I CA 1.228 62.427 61.300 -0.169 0.000 1.357 48 I CB -0.084 37.752 38.000 -0.273 0.000 1.051 48 I HN 0.458 nan 8.210 nan 0.000 0.409 49 A N 0.903 123.652 122.820 -0.119 0.000 1.933 49 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 49 A C 2.439 179.941 177.584 -0.136 0.000 1.175 49 A CA 2.397 54.358 52.037 -0.126 0.000 0.628 49 A CB -0.770 18.161 19.000 -0.114 0.000 0.814 49 A HN 0.423 nan 8.150 nan 0.000 0.444 50 K N -0.496 119.833 120.400 -0.118 0.000 2.404 50 K HA 0.262 4.582 4.320 -0.000 0.000 0.194 50 K C 0.820 177.311 176.600 -0.182 0.000 1.023 50 K CA 0.728 56.956 56.287 -0.098 0.000 1.094 50 K CB -0.648 31.844 32.500 -0.013 0.000 0.841 50 K HN 0.547 nan 8.250 nan 0.000 0.523 51 K N 0.552 120.708 120.400 -0.406 0.000 3.077 51 K HA -0.216 4.104 4.320 -0.000 0.000 0.264 51 K C -0.038 176.363 176.600 -0.331 0.000 1.008 51 K CA 0.822 56.606 56.287 -0.837 0.000 0.740 51 K CB -1.575 30.595 32.500 -0.550 0.000 1.273 51 K HN 0.802 nan 8.250 nan 0.000 0.477 52 Q N 1.249 120.987 119.800 -0.104 0.000 2.295 52 Q HA 0.189 4.529 4.340 -0.000 0.000 0.259 52 Q C -2.211 173.973 176.000 0.307 0.000 0.976 52 Q CA -1.945 53.922 55.803 0.107 0.000 0.923 52 Q CB 0.981 29.782 28.738 0.106 0.000 1.185 52 Q HN 0.003 nan 8.270 nan 0.000 0.410 53 P HA 0.024 nan 4.420 nan 0.000 0.277 53 P C -0.589 176.838 177.300 0.211 0.000 1.240 53 P CA -0.302 62.981 63.100 0.305 0.000 0.798 53 P CB 1.075 32.893 31.700 0.198 0.000 0.979 54 V N 2.744 122.787 119.914 0.216 0.000 2.637 54 V HA 0.232 4.352 4.120 -0.000 0.000 0.296 54 V C 1.252 177.451 176.094 0.175 0.000 1.046 54 V CA 0.845 63.282 62.300 0.228 0.000 1.066 54 V CB 0.454 32.490 31.823 0.355 0.000 0.968 54 V HN 0.910 nan 8.190 nan 0.000 0.483 55 T N 1.424 116.069 114.554 0.151 0.000 2.716 55 T HA 0.353 4.703 4.350 -0.000 0.000 0.286 55 T C 0.345 175.092 174.700 0.078 0.000 1.052 55 T CA -0.726 61.424 62.100 0.084 0.000 1.024 55 T CB 1.621 70.509 68.868 0.035 0.000 1.349 55 T HN 0.409 nan 8.240 nan 0.000 0.525 56 Q N -0.207 119.580 119.800 -0.021 0.000 2.515 56 Q HA 0.048 4.388 4.340 -0.000 0.000 0.212 56 Q C 1.626 177.574 176.000 -0.087 0.000 0.970 56 Q CA 0.915 56.657 55.803 -0.102 0.000 0.941 56 Q CB -0.069 28.500 28.738 -0.281 0.000 0.998 56 Q HN 0.596 nan 8.270 nan 0.000 0.518 57 Q N -0.565 119.197 119.800 -0.063 0.000 2.247 57 Q HA 0.105 4.445 4.340 -0.000 0.000 0.211 57 Q C -0.138 175.842 176.000 -0.034 0.000 0.861 57 Q CA 0.060 55.790 55.803 -0.121 0.000 0.949 57 Q CB 0.986 29.626 28.738 -0.164 0.000 1.115 57 Q HN 0.129 nan 8.270 nan 0.000 0.507 58 T N 1.993 116.580 114.554 0.054 0.000 2.870 58 T HA 0.226 4.576 4.350 -0.000 0.000 0.300 58 T C 0.013 174.768 174.700 0.092 0.000 0.989 58 T CA 0.108 62.233 62.100 0.043 0.000 1.139 58 T CB 0.474 69.357 68.868 0.024 0.000 0.920 58 T HN 0.099 nan 8.240 nan 0.000 0.537 59 L N 4.029 125.266 121.223 0.023 0.000 2.292 59 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 59 L C -0.492 176.418 176.870 0.066 0.000 1.065 59 L CA -0.492 54.386 54.840 0.063 0.000 0.806 59 L CB 0.459 42.467 42.059 -0.085 0.000 1.175 59 L HN 0.541 nan 8.230 nan 0.000 0.431 60 F N 0.583 120.570 119.950 0.062 0.000 2.538 60 F HA 0.368 4.895 4.527 -0.000 0.000 0.325 60 F C 0.381 175.977 175.800 -0.340 0.000 1.066 60 F CA -0.849 57.154 58.000 0.005 0.000 0.946 60 F CB 1.510 40.644 39.000 0.223 0.000 1.199 60 F HN 0.380 nan 8.300 nan 0.000 0.473 61 E N 2.642 122.377 120.200 -0.776 0.000 2.257 61 E HA 0.166 4.516 4.350 -0.000 0.000 0.278 61 E C 0.479 176.993 176.600 -0.144 0.000 1.049 61 E CA -0.044 56.037 56.400 -0.533 0.000 0.876 61 E CB 0.813 30.055 29.700 -0.764 0.000 1.035 61 E HN 0.605 nan 8.360 nan 0.000 0.419 62 L N 2.926 124.141 121.223 -0.013 0.000 2.395 62 L HA 0.048 4.388 4.340 -0.000 0.000 0.218 62 L C 1.436 178.398 176.870 0.153 0.000 1.130 62 L CA 0.480 55.382 54.840 0.103 0.000 0.826 62 L CB -0.889 41.238 42.059 0.113 0.000 0.941 62 L HN 0.888 nan 8.230 nan 0.000 0.451 63 G N 0.831 109.724 108.800 0.155 0.000 2.596 63 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.295 63 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.295 63 G C 0.896 175.944 174.900 0.246 0.000 1.240 63 G CA 0.052 45.279 45.100 0.212 0.000 0.985 63 G HN 0.357 nan 8.290 nan 0.000 0.555 64 G N -0.813 108.134 108.800 0.245 0.000 2.535 64 G HA2 0.150 4.110 3.960 -0.000 0.000 0.218 64 G HA3 0.150 4.110 3.960 -0.000 0.000 0.218 64 G C 1.663 176.703 174.900 0.233 0.000 1.122 64 G CA 1.744 47.011 45.100 0.280 0.000 0.769 64 G HN 1.218 nan 8.290 nan 0.000 0.549 65 V N 0.969 121.005 119.914 0.203 0.000 2.913 65 V HA -0.149 3.971 4.120 -0.000 0.000 0.260 65 V C 2.831 179.052 176.094 0.212 0.000 1.098 65 V CA 1.825 64.227 62.300 0.169 0.000 1.121 65 V CB -0.206 31.736 31.823 0.200 0.000 0.714 65 V HN 0.363 nan 8.190 nan 0.000 0.487 66 S N -0.191 115.657 115.700 0.246 0.000 2.419 66 S HA -0.199 4.271 4.470 -0.000 0.000 0.233 66 S C 1.890 176.659 174.600 0.282 0.000 1.016 66 S CA 1.119 59.495 58.200 0.294 0.000 0.974 66 S CB -0.247 63.060 63.200 0.178 0.000 0.786 66 S HN 0.639 nan 8.310 nan 0.000 0.492 67 K N 1.017 121.538 120.400 0.201 0.000 2.280 67 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 67 K C 2.400 179.043 176.600 0.072 0.000 1.047 67 K CA 1.548 57.935 56.287 0.167 0.000 0.942 67 K CB -0.415 32.206 32.500 0.202 0.000 0.739 67 K HN 0.608 nan 8.250 nan 0.000 0.457 68 T N -1.358 113.149 114.554 -0.078 0.000 2.904 68 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 68 T C 1.735 176.455 174.700 0.033 0.000 1.059 68 T CA 0.722 62.597 62.100 -0.375 0.000 1.137 68 T CB -0.345 67.894 68.868 -1.048 0.000 0.879 68 T HN 0.024 nan 8.240 nan 0.000 0.467 69 F N 2.158 122.170 119.950 0.103 0.000 2.186 69 F HA 0.051 4.578 4.527 -0.000 0.000 0.299 69 F C 2.989 178.850 175.800 0.102 0.000 1.090 69 F CA 1.272 59.295 58.000 0.038 0.000 1.307 69 F CB -1.048 37.853 39.000 -0.165 0.000 1.019 69 F HN 0.133 nan 8.300 nan 0.000 0.489 70 T N -0.580 114.175 114.554 0.334 0.000 2.746 70 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 70 T C 2.379 177.270 174.700 0.320 0.000 1.039 70 T CA 1.421 63.726 62.100 0.343 0.000 1.142 70 T CB -1.018 68.054 68.868 0.341 0.000 0.866 70 T HN 0.437 nan 8.240 nan 0.000 0.444 71 G N 0.904 109.864 108.800 0.267 0.000 2.418 71 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 71 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 71 G C 1.687 176.751 174.900 0.272 0.000 1.158 71 G CA 0.793 46.049 45.100 0.260 0.000 0.771 71 G HN 0.437 nan 8.290 nan 0.000 0.545 72 V N 0.517 120.599 119.914 0.280 0.000 2.453 72 V HA -0.077 4.043 4.120 -0.000 0.000 0.247 72 V C 2.643 178.855 176.094 0.196 0.000 1.048 72 V CA 1.450 63.919 62.300 0.282 0.000 1.049 72 V CB -0.252 31.832 31.823 0.435 0.000 0.672 72 V HN 0.349 nan 8.190 nan 0.000 0.457 73 L N 1.352 122.664 121.223 0.149 0.000 2.046 73 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 73 L C 2.318 179.199 176.870 0.017 0.000 1.077 73 L CA 2.426 57.274 54.840 0.014 0.000 0.747 73 L CB -1.232 40.754 42.059 -0.121 0.000 0.896 73 L HN 0.264 nan 8.230 nan 0.000 0.432 74 G N -1.147 107.714 108.800 0.103 0.000 2.418 74 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 74 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 74 G C 1.522 176.519 174.900 0.162 0.000 1.158 74 G CA 0.545 45.714 45.100 0.115 0.000 0.771 74 G HN 0.589 nan 8.290 nan 0.000 0.545 75 G N 0.654 109.566 108.800 0.187 0.000 2.418 75 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 75 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 75 G C 1.446 176.402 174.900 0.093 0.000 1.158 75 G CA 1.382 46.571 45.100 0.150 0.000 0.771 75 G HN 0.508 nan 8.290 nan 0.000 0.545 76 D N 0.504 120.946 120.400 0.071 0.000 2.117 76 D HA 0.043 4.683 4.640 -0.000 0.000 0.197 76 D C 2.644 178.948 176.300 0.006 0.000 0.987 76 D CA 1.421 55.441 54.000 0.033 0.000 0.829 76 D CB -0.259 40.551 40.800 0.016 0.000 0.961 76 D HN 0.244 nan 8.370 nan 0.000 0.460 77 A N -0.077 122.735 122.820 -0.014 0.000 1.969 77 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 77 A C 2.300 179.878 177.584 -0.010 0.000 1.169 77 A CA 0.945 52.958 52.037 -0.040 0.000 0.635 77 A CB -0.684 18.255 19.000 -0.100 0.000 0.810 77 A HN 0.379 nan 8.150 nan 0.000 0.445 78 I N -0.220 120.363 120.570 0.021 0.000 2.202 78 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 78 I C 2.959 179.099 176.117 0.039 0.000 1.091 78 I CA 1.055 62.380 61.300 0.043 0.000 1.368 78 I CB -0.346 37.700 38.000 0.077 0.000 1.058 78 I HN 0.328 nan 8.210 nan 0.000 0.410 79 A N 0.797 123.640 122.820 0.038 0.000 1.940 79 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 79 A C 2.313 179.908 177.584 0.018 0.000 1.176 79 A CA 1.542 53.596 52.037 0.030 0.000 0.631 79 A CB -0.603 18.415 19.000 0.029 0.000 0.814 79 A HN 0.352 nan 8.150 nan 0.000 0.446 80 R N -1.526 118.980 120.500 0.011 0.000 2.307 80 R HA 0.146 4.486 4.340 -0.000 0.000 0.199 80 R C 1.355 177.661 176.300 0.010 0.000 1.000 80 R CA 0.553 56.655 56.100 0.004 0.000 1.023 80 R CB -0.195 30.100 30.300 -0.009 0.000 0.908 80 R HN 0.726 nan 8.270 nan 0.000 0.473 81 G N 0.874 109.686 108.800 0.020 0.000 2.159 81 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.256 81 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.256 81 G C 0.574 175.498 174.900 0.040 0.000 0.977 81 G CA 0.519 45.638 45.100 0.031 0.000 0.652 81 G HN 0.450 nan 8.290 nan 0.000 0.531 82 E N -0.459 119.757 120.200 0.027 0.000 2.112 82 E HA 0.217 4.567 4.350 -0.000 0.000 0.190 82 E C 1.548 178.195 176.600 0.077 0.000 0.979 82 E CA 1.205 57.627 56.400 0.036 0.000 0.814 82 E CB 0.142 29.837 29.700 -0.008 0.000 0.762 82 E HN 0.903 nan 8.360 nan 0.000 0.460 83 I N -2.750 117.840 120.570 0.034 0.000 3.174 83 I HA 0.492 4.662 4.170 -0.000 0.000 0.313 83 I C -1.295 174.874 176.117 0.086 0.000 1.155 83 I CA -1.259 60.062 61.300 0.036 0.000 0.977 83 I CB 2.295 40.117 38.000 -0.297 0.000 1.248 83 I HN -0.352 nan 8.210 nan 0.000 0.453 84 K N 2.430 122.922 120.400 0.154 0.000 2.422 84 K HA 0.497 4.817 4.320 -0.000 0.000 0.251 84 K C 0.023 176.701 176.600 0.129 0.000 0.933 84 K CA -0.782 55.583 56.287 0.130 0.000 0.798 84 K CB 2.975 35.557 32.500 0.137 0.000 1.238 84 K HN 0.617 nan 8.250 nan 0.000 0.428 85 L N 0.988 122.265 121.223 0.089 0.000 2.362 85 L HA -0.147 4.193 4.340 -0.000 0.000 0.219 85 L C 1.976 178.875 176.870 0.048 0.000 1.134 85 L CA 1.217 56.088 54.840 0.053 0.000 0.807 85 L CB -0.266 41.772 42.059 -0.034 0.000 0.927 85 L HN 0.695 nan 8.230 nan 0.000 0.447 86 S N -2.723 113.019 115.700 0.070 0.000 2.562 86 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 86 S C 0.579 175.245 174.600 0.110 0.000 0.975 86 S CA -0.279 57.961 58.200 0.066 0.000 0.918 86 S CB -0.303 62.933 63.200 0.060 0.000 0.772 86 S HN 0.210 nan 8.310 nan 0.000 0.531 87 D N 3.998 124.500 120.400 0.170 0.000 2.341 87 D HA 0.318 4.958 4.640 -0.000 0.000 0.245 87 D C -2.433 174.009 176.300 0.236 0.000 1.106 87 D CA -1.623 52.506 54.000 0.215 0.000 0.905 87 D CB 0.779 41.802 40.800 0.372 0.000 1.202 87 D HN 0.183 nan 8.370 nan 0.000 0.426 88 P HA 0.038 nan 4.420 nan 0.000 0.271 88 P C 0.576 178.026 177.300 0.250 0.000 1.216 88 P CA -0.198 63.022 63.100 0.201 0.000 0.776 88 P CB 0.712 32.494 31.700 0.137 0.000 0.881 89 T N 1.299 116.027 114.554 0.291 0.000 2.737 89 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 89 T C 1.671 176.496 174.700 0.208 0.000 1.040 89 T CA 2.110 64.380 62.100 0.284 0.000 1.142 89 T CB -0.823 68.217 68.868 0.288 0.000 0.861 89 T HN 0.499 nan 8.240 nan 0.000 0.456 90 T N 1.347 115.980 114.554 0.131 0.000 2.881 90 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 90 T C 1.886 176.593 174.700 0.013 0.000 1.068 90 T CA 1.057 63.185 62.100 0.046 0.000 1.131 90 T CB -0.159 68.724 68.868 0.026 0.000 0.871 90 T HN 0.466 nan 8.240 nan 0.000 0.479 91 K N 0.181 120.547 120.400 -0.057 0.000 2.152 91 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 91 K C 1.237 177.618 176.600 -0.365 0.000 1.048 91 K CA 1.466 57.587 56.287 -0.277 0.000 0.933 91 K CB -0.132 32.071 32.500 -0.494 0.000 0.721 91 K HN 0.435 nan 8.250 nan 0.000 0.447 92 Y N -2.397 117.940 120.300 0.061 0.000 2.462 92 Y HA 0.096 4.646 4.550 -0.000 0.000 0.261 92 Y C 0.249 176.207 175.900 0.097 0.000 1.146 92 Y CA -0.393 57.733 58.100 0.043 0.000 1.283 92 Y CB 0.492 38.952 38.460 0.000 0.000 1.090 92 Y HN 0.154 nan 8.280 nan 0.000 0.526 93 W N 3.769 125.067 121.300 -0.003 0.000 2.162 93 W HA 0.373 5.032 4.660 -0.000 0.000 0.292 93 W C -2.230 174.238 176.519 -0.085 0.000 0.998 93 W CA -3.700 53.605 57.345 -0.066 0.000 1.570 93 W CB 0.747 30.122 29.460 -0.142 0.000 1.644 93 W HN -0.154 nan 8.180 nan 0.000 0.360 94 P HA -0.285 nan 4.420 nan 0.000 0.218 94 P C 0.744 177.998 177.300 -0.078 0.000 1.152 94 P CA 2.221 65.334 63.100 0.022 0.000 0.857 94 P CB 0.447 32.174 31.700 0.044 0.000 0.787 95 E N -0.853 119.275 120.200 -0.120 0.000 2.409 95 E HA -0.039 4.311 4.350 -0.000 0.000 0.198 95 E C 0.879 177.160 176.600 -0.531 0.000 1.024 95 E CA 0.170 56.409 56.400 -0.268 0.000 0.861 95 E CB -0.677 28.923 29.700 -0.167 0.000 0.788 95 E HN 0.168 nan 8.360 nan 0.000 0.521 96 L N 1.649 122.414 121.223 -0.763 0.000 2.387 96 L HA 0.139 4.479 4.340 -0.000 0.000 0.267 96 L C 0.652 177.287 176.870 -0.393 0.000 1.197 96 L CA 0.321 54.667 54.840 -0.823 0.000 1.070 96 L CB -0.061 41.306 42.059 -1.153 0.000 1.349 96 L HN 0.025 nan 8.230 nan 0.000 0.422 97 T N -0.296 114.114 114.554 -0.240 0.000 3.040 97 T HA 0.388 4.738 4.350 -0.000 0.000 0.250 97 T C 0.920 175.629 174.700 0.015 0.000 1.058 97 T CA 0.234 62.283 62.100 -0.084 0.000 0.988 97 T CB 0.032 68.858 68.868 -0.071 0.000 0.993 97 T HN 0.524 nan 8.240 nan 0.000 0.519 98 A N 2.747 125.602 122.820 0.058 0.000 2.520 98 A HA 0.284 4.604 4.320 -0.000 0.000 0.235 98 A C 1.667 179.373 177.584 0.203 0.000 1.065 98 A CA -0.023 52.103 52.037 0.148 0.000 0.764 98 A CB 0.254 19.384 19.000 0.217 0.000 1.002 98 A HN 0.640 nan 8.150 nan 0.000 0.502 99 K N 1.422 121.888 120.400 0.110 0.000 2.211 99 K HA -0.235 4.085 4.320 -0.000 0.000 0.204 99 K C 1.455 178.091 176.600 0.060 0.000 1.047 99 K CA 1.585 57.918 56.287 0.077 0.000 0.935 99 K CB -0.128 32.388 32.500 0.027 0.000 0.728 99 K HN 0.816 nan 8.250 nan 0.000 0.452 100 Q N 0.386 120.194 119.800 0.013 0.000 2.364 100 Q HA -0.156 4.184 4.340 -0.000 0.000 0.207 100 Q C 0.882 176.778 176.000 -0.173 0.000 0.970 100 Q CA 1.153 56.868 55.803 -0.147 0.000 0.888 100 Q CB -0.415 28.127 28.738 -0.327 0.000 0.951 100 Q HN 0.599 nan 8.270 nan 0.000 0.469 101 W N 1.784 123.139 121.300 0.093 0.000 3.003 101 W HA 0.177 4.837 4.660 -0.000 0.000 0.257 101 W C 0.196 176.775 176.519 0.099 0.000 1.308 101 W CA -0.578 56.841 57.345 0.124 0.000 1.529 101 W CB 0.178 29.691 29.460 0.089 0.000 1.115 101 W HN -0.028 nan 8.180 nan 0.000 0.659 102 N N 0.813 119.642 118.700 0.215 0.000 2.468 102 N HA 0.218 4.958 4.740 -0.000 0.000 0.265 102 N C 1.102 176.696 175.510 0.140 0.000 1.199 102 N CA 1.594 54.740 53.050 0.161 0.000 0.928 102 N CB 0.905 39.453 38.487 0.103 0.000 1.059 102 N HN 0.253 nan 8.380 nan 0.000 0.467 103 G N 1.820 110.724 108.800 0.172 0.000 2.213 103 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.226 103 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.226 103 G C 0.107 175.165 174.900 0.263 0.000 0.992 103 G CA -0.477 44.731 45.100 0.180 0.000 0.632 103 G HN 0.535 nan 8.290 nan 0.000 0.511 104 I N 3.151 123.897 120.570 0.293 0.000 2.312 104 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 104 I C 1.146 177.554 176.117 0.484 0.000 1.031 104 I CA 0.105 61.654 61.300 0.415 0.000 1.293 104 I CB 1.260 39.450 38.000 0.316 0.000 1.403 104 I HN 0.314 nan 8.210 nan 0.000 0.484 105 T N 3.021 117.905 114.554 0.550 0.000 2.923 105 T HA 0.447 4.797 4.350 -0.000 0.000 0.281 105 T C 1.206 176.031 174.700 0.209 0.000 0.995 105 T CA -0.865 61.390 62.100 0.258 0.000 0.985 105 T CB 1.431 70.330 68.868 0.052 0.000 1.114 105 T HN 0.413 nan 8.240 nan 0.000 0.548 106 L N 0.284 121.618 121.223 0.185 0.000 2.131 106 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 106 L C 2.523 179.402 176.870 0.014 0.000 1.092 106 L CA 0.834 55.795 54.840 0.201 0.000 0.759 106 L CB -0.737 41.473 42.059 0.251 0.000 0.903 106 L HN 0.602 nan 8.230 nan 0.000 0.435 107 L N -0.414 120.752 121.223 -0.096 0.000 2.042 107 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 107 L C 2.362 179.166 176.870 -0.110 0.000 1.076 107 L CA 1.935 56.643 54.840 -0.219 0.000 0.749 107 L CB -0.586 41.346 42.059 -0.212 0.000 0.893 107 L HN 0.239 nan 8.230 nan 0.000 0.432 108 H N -1.173 117.952 119.070 0.092 0.000 2.353 108 H HA -0.116 4.440 4.556 -0.000 0.000 0.300 108 H C 2.215 177.530 175.328 -0.023 0.000 1.090 108 H CA 1.657 57.749 56.048 0.074 0.000 1.327 108 H CB -0.117 29.713 29.762 0.113 0.000 1.383 108 H HN 0.315 nan 8.280 nan 0.000 0.508 109 L N 0.089 121.383 121.223 0.118 0.000 2.027 109 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 109 L C 2.793 179.559 176.870 -0.174 0.000 1.074 109 L CA 0.842 55.712 54.840 0.050 0.000 0.745 109 L CB -0.460 41.699 42.059 0.167 0.000 0.898 109 L HN 0.335 nan 8.230 nan 0.000 0.433 110 A N -0.283 122.253 122.820 -0.474 0.000 2.015 110 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 110 A C 2.067 179.218 177.584 -0.723 0.000 1.163 110 A CA 1.950 53.459 52.037 -0.879 0.000 0.646 110 A CB -0.664 17.356 19.000 -1.633 0.000 0.806 110 A HN 0.521 nan 8.150 nan 0.000 0.448 111 T N -6.351 107.899 114.554 -0.507 0.000 3.129 111 T HA 0.327 4.677 4.350 -0.000 0.000 0.267 111 T C 0.277 174.757 174.700 -0.367 0.000 1.018 111 T CA 0.224 62.064 62.100 -0.433 0.000 0.903 111 T CB -0.793 68.122 68.868 0.079 0.000 1.067 111 T HN 0.682 nan 8.240 nan 0.000 0.549 112 Y N 0.860 121.143 120.300 -0.028 0.000 4.272 112 Y HA -0.278 4.272 4.550 -0.000 0.000 0.232 112 Y C 1.212 177.069 175.900 -0.071 0.000 1.149 112 Y CA 0.569 58.651 58.100 -0.029 0.000 1.961 112 Y CB -2.943 35.519 38.460 0.004 0.000 1.611 112 Y HN 0.592 nan 8.280 nan 0.000 0.682 113 T N -4.121 110.411 114.554 -0.036 0.000 3.215 113 T HA 0.657 5.007 4.350 -0.000 0.000 0.271 113 T C 1.396 176.046 174.700 -0.082 0.000 1.012 113 T CA 0.147 62.142 62.100 -0.174 0.000 0.899 113 T CB 0.752 69.247 68.868 -0.622 0.000 1.089 113 T HN 0.482 nan 8.240 nan 0.000 0.552 114 A N 1.399 124.235 122.820 0.026 0.000 2.067 114 A HA 0.527 4.846 4.320 -0.000 0.000 0.219 114 A C 1.899 179.536 177.584 0.088 0.000 1.158 114 A CA 0.731 52.771 52.037 0.005 0.000 0.661 114 A CB -0.874 18.120 19.000 -0.010 0.000 0.801 114 A HN 1.528 nan 8.150 nan 0.000 0.452 115 G N -3.240 105.687 108.800 0.211 0.000 2.247 115 G HA2 0.409 4.369 3.960 -0.000 0.000 0.111 115 G HA3 0.409 4.369 3.960 -0.000 0.000 0.111 115 G C 0.986 176.203 174.900 0.529 0.000 1.045 115 G CA 0.359 45.683 45.100 0.374 0.000 0.715 115 G HN 1.991 nan 8.290 nan 0.000 0.485 116 G N -0.938 108.193 108.800 0.553 0.000 2.145 116 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.176 116 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.176 116 G C 0.458 175.634 174.900 0.460 0.000 1.013 116 G CA 0.003 45.397 45.100 0.490 0.000 0.689 116 G HN 1.259 nan 8.290 nan 0.000 0.506 117 L N 1.939 123.300 121.223 0.229 0.000 2.514 117 L HA 0.255 4.595 4.340 -0.000 0.000 0.280 117 L C -0.784 176.168 176.870 0.137 0.000 1.223 117 L CA -1.245 53.541 54.840 -0.090 0.000 0.864 117 L CB 0.354 42.262 42.059 -0.250 0.000 1.118 117 L HN 0.104 nan 8.230 nan 0.000 0.494 118 P HA -0.041 nan 4.420 nan 0.000 0.272 118 P C 0.546 177.928 177.300 0.138 0.000 1.223 118 P CA -0.527 62.688 63.100 0.191 0.000 0.784 118 P CB 1.059 32.902 31.700 0.238 0.000 0.923 119 L N 0.844 122.134 121.223 0.112 0.000 2.051 119 L HA -0.163 4.177 4.340 -0.000 0.000 0.214 119 L C 0.815 177.722 176.870 0.061 0.000 1.076 119 L CA 2.084 56.971 54.840 0.078 0.000 0.758 119 L CB -0.659 41.456 42.059 0.094 0.000 0.890 119 L HN 0.384 nan 8.230 nan 0.000 0.433 120 Q N -0.805 119.031 119.800 0.059 0.000 2.394 120 Q HA 0.407 4.747 4.340 -0.000 0.000 0.273 120 Q C -0.938 175.048 176.000 -0.023 0.000 1.089 120 Q CA -0.855 54.966 55.803 0.029 0.000 0.812 120 Q CB 2.128 30.865 28.738 -0.001 0.000 1.353 120 Q HN -0.096 nan 8.270 nan 0.000 0.438 121 V N 4.158 124.029 119.914 -0.073 0.000 2.555 121 V HA 0.160 4.280 4.120 -0.000 0.000 0.286 121 V C -1.780 174.124 176.094 -0.318 0.000 1.044 121 V CA -1.024 61.078 62.300 -0.330 0.000 1.026 121 V CB 0.647 32.334 31.823 -0.227 0.000 0.981 121 V HN 0.629 nan 8.190 nan 0.000 0.480 122 P HA 0.127 nan 4.420 nan 0.000 0.267 122 P C 0.680 177.878 177.300 -0.171 0.000 1.200 122 P CA 0.669 63.618 63.100 -0.252 0.000 0.772 122 P CB 0.493 32.046 31.700 -0.245 0.000 0.855 123 D N 2.281 122.628 120.400 -0.089 0.000 2.158 123 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 123 D C 1.558 177.829 176.300 -0.048 0.000 0.995 123 D CA 1.661 55.632 54.000 -0.049 0.000 0.846 123 D CB -0.688 40.099 40.800 -0.023 0.000 0.941 123 D HN 0.487 nan 8.370 nan 0.000 0.456 124 E N -0.502 119.666 120.200 -0.054 0.000 2.209 124 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 124 E C 1.032 177.607 176.600 -0.043 0.000 0.993 124 E CA 0.117 56.495 56.400 -0.037 0.000 0.819 124 E CB -0.202 29.483 29.700 -0.025 0.000 0.745 124 E HN 0.469 nan 8.360 nan 0.000 0.477 125 V N 1.100 120.962 119.914 -0.087 0.000 2.434 125 V HA 0.153 4.273 4.120 -0.000 0.000 0.281 125 V C 1.119 177.190 176.094 -0.039 0.000 1.005 125 V CA 1.385 63.639 62.300 -0.076 0.000 1.089 125 V CB 0.282 32.004 31.823 -0.169 0.000 0.978 125 V HN 0.283 nan 8.190 nan 0.000 0.474 126 K N 2.635 123.030 120.400 -0.009 0.000 2.483 126 K HA 0.518 4.838 4.320 -0.000 0.000 0.206 126 K C 0.480 177.087 176.600 0.011 0.000 1.086 126 K CA 0.507 56.794 56.287 0.000 0.000 1.052 126 K CB 0.880 33.382 32.500 0.004 0.000 0.904 126 K HN 0.839 nan 8.250 nan 0.000 0.557 127 S N -2.072 113.642 115.700 0.023 0.000 2.618 127 S HA 0.467 4.937 4.470 -0.000 0.000 0.277 127 S C 0.777 175.412 174.600 0.058 0.000 1.138 127 S CA 0.264 58.484 58.200 0.034 0.000 0.844 127 S CB 1.685 64.907 63.200 0.037 0.000 1.127 127 S HN 0.012 nan 8.310 nan 0.000 0.474 128 S N 1.084 116.820 115.700 0.059 0.000 2.400 128 S HA -0.102 4.368 4.470 -0.000 0.000 0.232 128 S C 1.940 176.634 174.600 0.156 0.000 1.025 128 S CA 1.652 59.908 58.200 0.093 0.000 0.993 128 S CB -0.564 62.674 63.200 0.063 0.000 0.808 128 S HN 0.769 nan 8.310 nan 0.000 0.478 129 S N 1.251 117.022 115.700 0.119 0.000 2.368 129 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 129 S C 1.459 176.140 174.600 0.135 0.000 1.029 129 S CA 1.206 59.480 58.200 0.123 0.000 0.988 129 S CB -0.436 62.814 63.200 0.082 0.000 0.838 129 S HN 0.388 nan 8.310 nan 0.000 0.462 130 D N 1.066 121.534 120.400 0.113 0.000 2.144 130 D HA -0.062 4.578 4.640 -0.000 0.000 0.199 130 D C 1.837 178.241 176.300 0.174 0.000 0.984 130 D CA 0.712 54.779 54.000 0.111 0.000 0.834 130 D CB -0.439 40.398 40.800 0.062 0.000 0.955 130 D HN 0.337 nan 8.370 nan 0.000 0.465 131 L N 0.403 121.752 121.223 0.211 0.000 2.056 131 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 131 L C 2.072 179.255 176.870 0.521 0.000 1.078 131 L CA 1.065 56.108 54.840 0.339 0.000 0.749 131 L CB -0.567 41.685 42.059 0.322 0.000 0.901 131 L HN -0.000 nan 8.230 nan 0.000 0.433 132 L N -0.330 121.176 121.223 0.471 0.000 2.046 132 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 132 L C 2.693 179.658 176.870 0.158 0.000 1.077 132 L CA 1.838 56.872 54.840 0.323 0.000 0.747 132 L CB -0.734 41.459 42.059 0.224 0.000 0.896 132 L HN 0.271 nan 8.230 nan 0.000 0.432 133 R N -1.451 119.151 120.500 0.169 0.000 2.096 133 R HA -0.260 4.080 4.340 -0.000 0.000 0.240 133 R C 2.311 178.717 176.300 0.176 0.000 1.139 133 R CA 2.160 58.342 56.100 0.136 0.000 0.952 133 R CB -0.680 29.698 30.300 0.130 0.000 0.854 133 R HN 0.463 nan 8.270 nan 0.000 0.436 134 F N 0.105 120.087 119.950 0.052 0.000 2.065 134 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 134 F C 1.528 177.369 175.800 0.069 0.000 1.112 134 F CA 1.615 59.609 58.000 -0.009 0.000 1.212 134 F CB -0.701 38.202 39.000 -0.161 0.000 0.975 134 F HN 0.048 nan 8.300 nan 0.000 0.476 135 Y N 0.437 120.686 120.300 -0.085 0.000 2.293 135 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 135 Y C 2.613 178.643 175.900 0.218 0.000 1.137 135 Y CA 1.445 59.515 58.100 -0.049 0.000 1.202 135 Y CB -0.891 37.521 38.460 -0.080 0.000 0.990 135 Y HN 0.154 nan 8.280 nan 0.000 0.537 136 Q N -0.057 119.856 119.800 0.188 0.000 2.167 136 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 136 Q C 1.333 177.452 176.000 0.199 0.000 0.970 136 Q CA 1.227 57.131 55.803 0.168 0.000 0.855 136 Q CB -0.442 28.306 28.738 0.017 0.000 0.911 136 Q HN 0.659 nan 8.270 nan 0.000 0.438 137 N N -0.827 117.963 118.700 0.151 0.000 2.424 137 N HA -0.052 4.687 4.740 -0.000 0.000 0.178 137 N C -0.062 175.500 175.510 0.087 0.000 1.060 137 N CA -0.367 52.742 53.050 0.099 0.000 0.901 137 N CB 0.200 38.742 38.487 0.091 0.000 0.979 137 N HN 0.154 nan 8.380 nan 0.000 0.451 138 W N 2.794 124.047 121.300 -0.078 0.000 2.251 138 W HA 0.069 4.729 4.660 -0.000 0.000 0.327 138 W C -0.619 175.822 176.519 -0.130 0.000 1.361 138 W CA 0.031 57.290 57.345 -0.143 0.000 1.234 138 W CB 0.539 29.863 29.460 -0.226 0.000 1.212 138 W HN -0.067 nan 8.180 nan 0.000 0.557 139 Q N 8.460 127.662 119.800 -0.996 0.000 2.333 139 Q HA 0.322 4.662 4.340 -0.000 0.000 0.268 139 Q C -2.084 173.018 176.000 -1.498 0.000 1.007 139 Q CA -2.115 53.068 55.803 -1.034 0.000 0.810 139 Q CB 1.436 29.855 28.738 -0.531 0.000 1.264 139 Q HN 0.408 nan 8.270 nan 0.000 0.452 140 P HA 0.090 nan 4.420 nan 0.000 0.271 140 P C -0.263 176.647 177.300 -0.651 0.000 1.218 140 P CA 0.044 62.478 63.100 -1.108 0.000 0.780 140 P CB 1.047 32.276 31.700 -0.786 0.000 0.901 141 A N 2.707 125.160 122.820 -0.610 0.000 2.072 141 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 141 A C 0.430 177.347 177.584 -1.111 0.000 1.156 141 A CA 0.556 51.996 52.037 -0.995 0.000 0.701 141 A CB -0.206 17.808 19.000 -1.642 0.000 0.816 141 A HN 0.602 nan 8.150 nan 0.000 0.458 142 W N -2.890 118.358 121.300 -0.085 0.000 3.042 142 W HA 0.625 5.285 4.660 -0.000 0.000 0.342 142 W C -0.069 176.392 176.519 -0.097 0.000 1.240 142 W CA -1.218 56.081 57.345 -0.077 0.000 1.166 142 W CB 0.977 30.406 29.460 -0.052 0.000 1.469 142 W HN 0.106 nan 8.180 nan 0.000 0.579 143 A N 2.217 125.126 122.820 0.148 0.000 2.366 143 A HA 0.587 4.907 4.320 -0.000 0.000 0.249 143 A C -2.247 175.338 177.584 0.001 0.000 1.084 143 A CA -0.867 51.191 52.037 0.035 0.000 0.794 143 A CB -0.705 18.314 19.000 0.031 0.000 1.034 143 A HN 0.134 nan 8.150 nan 0.000 0.491 144 P HA 0.256 nan 4.420 nan 0.000 0.267 144 P C 0.826 177.977 177.300 -0.249 0.000 1.200 144 P CA 1.699 64.602 63.100 -0.328 0.000 0.772 144 P CB 0.442 31.830 31.700 -0.519 0.000 0.855 145 G N 1.570 110.182 108.800 -0.314 0.000 2.198 145 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 145 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 145 G C 0.657 175.481 174.900 -0.126 0.000 1.025 145 G CA 0.769 45.809 45.100 -0.100 0.000 0.769 145 G HN 0.693 nan 8.290 nan 0.000 0.507 146 T N -5.179 109.269 114.554 -0.176 0.000 2.987 146 T HA 0.442 4.792 4.350 -0.000 0.000 0.248 146 T C 0.555 175.098 174.700 -0.262 0.000 0.997 146 T CA 0.802 62.820 62.100 -0.135 0.000 1.013 146 T CB 0.665 69.501 68.868 -0.054 0.000 1.077 146 T HN 0.290 nan 8.240 nan 0.000 0.483 147 Q N 0.859 120.458 119.800 -0.336 0.000 2.359 147 Q HA 0.492 4.832 4.340 -0.000 0.000 0.274 147 Q C -1.394 174.406 176.000 -0.333 0.000 1.074 147 Q CA -0.544 54.983 55.803 -0.459 0.000 0.810 147 Q CB 3.171 31.320 28.738 -0.983 0.000 1.342 147 Q HN 0.386 nan 8.270 nan 0.000 0.427 148 R N 1.986 122.323 120.500 -0.270 0.000 2.294 148 R HA 0.580 4.920 4.340 -0.000 0.000 0.319 148 R C -1.243 175.033 176.300 -0.041 0.000 0.984 148 R CA -0.578 55.453 56.100 -0.116 0.000 0.861 148 R CB 0.551 30.822 30.300 -0.049 0.000 1.104 148 R HN 0.480 nan 8.270 nan 0.000 0.451 149 L N 5.823 127.092 121.223 0.077 0.000 2.471 149 L HA 0.263 4.603 4.340 -0.000 0.000 0.263 149 L C -1.410 175.506 176.870 0.076 0.000 0.985 149 L CA -0.669 54.238 54.840 0.113 0.000 0.868 149 L CB 1.048 43.252 42.059 0.241 0.000 1.203 149 L HN 0.643 nan 8.230 nan 0.000 0.429 150 Y N 4.758 124.930 120.300 -0.213 0.000 2.881 150 Y HA 0.321 4.871 4.550 -0.000 0.000 0.335 150 Y C 0.106 175.837 175.900 -0.283 0.000 1.263 150 Y CA 1.075 58.829 58.100 -0.576 0.000 1.572 150 Y CB 0.362 38.556 38.460 -0.443 0.000 1.237 150 Y HN 0.825 nan 8.280 nan 0.000 0.568 151 A N 5.627 128.042 122.820 -0.676 0.000 2.513 151 A HA 0.296 4.616 4.320 -0.000 0.000 0.296 151 A C -0.129 177.372 177.584 -0.138 0.000 1.052 151 A CA -0.917 50.988 52.037 -0.220 0.000 0.714 151 A CB 0.892 19.915 19.000 0.038 0.000 1.279 151 A HN 0.773 nan 8.150 nan 0.000 0.397 152 N N 1.050 119.707 118.700 -0.072 0.000 2.244 152 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 152 N C 1.953 177.538 175.510 0.124 0.000 1.016 152 N CA 1.842 54.921 53.050 0.049 0.000 0.866 152 N CB -0.054 38.520 38.487 0.145 0.000 0.980 152 N HN 0.828 nan 8.380 nan 0.000 0.430 153 S N -1.108 114.688 115.700 0.160 0.000 2.515 153 S HA 0.056 4.525 4.470 -0.000 0.000 0.231 153 S C 1.986 176.766 174.600 0.299 0.000 0.987 153 S CA 0.789 59.162 58.200 0.288 0.000 0.936 153 S CB 0.037 63.448 63.200 0.352 0.000 0.766 153 S HN 0.163 nan 8.310 nan 0.000 0.528 154 S N 1.184 117.001 115.700 0.195 0.000 2.339 154 S HA 0.263 4.733 4.470 -0.000 0.000 0.213 154 S C 1.607 176.284 174.600 0.129 0.000 1.033 154 S CA 0.461 58.757 58.200 0.160 0.000 0.950 154 S CB -0.519 62.791 63.200 0.183 0.000 0.893 154 S HN 0.568 nan 8.310 nan 0.000 0.492 155 I N 1.254 121.896 120.570 0.120 0.000 2.546 155 I HA 0.028 4.198 4.170 -0.000 0.000 0.255 155 I C 2.068 178.261 176.117 0.126 0.000 1.163 155 I CA 1.067 62.426 61.300 0.097 0.000 1.457 155 I CB -0.542 37.490 38.000 0.053 0.000 1.092 155 I HN 0.470 nan 8.210 nan 0.000 0.434 156 G N 1.057 109.904 108.800 0.077 0.000 2.418 156 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 156 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 156 G C 1.527 176.383 174.900 -0.074 0.000 1.158 156 G CA 0.878 45.963 45.100 -0.025 0.000 0.771 156 G HN 0.389 nan 8.290 nan 0.000 0.545 157 L N -0.234 120.992 121.223 0.005 0.000 2.093 157 L HA 0.167 4.507 4.340 -0.000 0.000 0.208 157 L C 2.411 179.226 176.870 -0.091 0.000 1.085 157 L CA 1.422 56.201 54.840 -0.102 0.000 0.755 157 L CB -0.724 41.225 42.059 -0.183 0.000 0.904 157 L HN 0.229 nan 8.230 nan 0.000 0.435 158 F N 0.446 120.325 119.950 -0.119 0.000 2.095 158 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 158 F C 2.149 177.879 175.800 -0.117 0.000 1.104 158 F CA 1.806 59.740 58.000 -0.111 0.000 1.232 158 F CB -1.020 37.925 39.000 -0.091 0.000 0.987 158 F HN 0.111 nan 8.300 nan 0.000 0.475 159 G N -0.301 108.355 108.800 -0.240 0.000 2.418 159 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 159 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 159 G C 1.822 176.539 174.900 -0.306 0.000 1.158 159 G CA 0.877 45.804 45.100 -0.288 0.000 0.771 159 G HN 0.654 nan 8.290 nan 0.000 0.545 160 A N 0.451 123.045 122.820 -0.376 0.000 1.933 160 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 160 A C 2.412 179.816 177.584 -0.301 0.000 1.175 160 A CA 1.213 53.049 52.037 -0.335 0.000 0.628 160 A CB -0.323 18.451 19.000 -0.375 0.000 0.814 160 A HN 0.357 nan 8.150 nan 0.000 0.444 161 L N -1.102 119.917 121.223 -0.339 0.000 2.179 161 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 161 L C 3.011 179.644 176.870 -0.394 0.000 1.096 161 L CA 0.758 55.413 54.840 -0.308 0.000 0.779 161 L CB -0.583 41.340 42.059 -0.227 0.000 0.922 161 L HN 0.414 nan 8.230 nan 0.000 0.443 162 A N 0.492 122.989 122.820 -0.538 0.000 1.978 162 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 162 A C 2.151 179.526 177.584 -0.348 0.000 1.170 162 A CA 1.958 53.641 52.037 -0.590 0.000 0.636 162 A CB -0.729 17.767 19.000 -0.840 0.000 0.810 162 A HN 0.349 nan 8.150 nan 0.000 0.448 163 V N -3.915 115.861 119.914 -0.230 0.000 3.541 163 V HA 0.040 4.160 4.120 -0.000 0.000 0.267 163 V C 1.748 177.773 176.094 -0.116 0.000 1.213 163 V CA 0.964 63.174 62.300 -0.151 0.000 1.149 163 V CB -0.467 31.300 31.823 -0.093 0.000 0.822 163 V HN 0.195 nan 8.190 nan 0.000 0.462 164 K N 1.655 121.985 120.400 -0.117 0.000 2.020 164 K HA -0.077 4.243 4.320 -0.000 0.000 0.212 164 K C 0.291 176.884 176.600 -0.013 0.000 1.050 164 K CA 2.096 58.350 56.287 -0.055 0.000 0.929 164 K CB -2.112 30.377 32.500 -0.019 0.000 0.714 164 K HN 0.455 nan 8.250 nan 0.000 0.443 165 P HA -0.113 nan 4.420 nan 0.000 0.219 165 P C 1.348 178.645 177.300 -0.004 0.000 1.146 165 P CA 1.520 64.643 63.100 0.039 0.000 0.808 165 P CB -0.062 31.686 31.700 0.080 0.000 0.779 166 S N -1.873 113.805 115.700 -0.037 0.000 2.461 166 S HA 0.103 4.573 4.470 -0.000 0.000 0.228 166 S C 1.900 176.474 174.600 -0.043 0.000 1.005 166 S CA 0.889 59.061 58.200 -0.047 0.000 0.942 166 S CB -1.334 61.821 63.200 -0.076 0.000 0.776 166 S HN 0.284 nan 8.310 nan 0.000 0.514 167 G N 0.742 109.518 108.800 -0.041 0.000 2.179 167 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.260 167 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.260 167 G C -0.006 174.865 174.900 -0.048 0.000 0.977 167 G CA 0.503 45.580 45.100 -0.038 0.000 0.641 167 G HN 0.569 nan 8.290 nan 0.000 0.533 168 L N 1.665 122.850 121.223 -0.064 0.000 2.399 168 L HA 0.589 4.929 4.340 -0.000 0.000 0.266 168 L C 1.489 178.314 176.870 -0.074 0.000 1.114 168 L CA -0.261 54.533 54.840 -0.075 0.000 0.804 168 L CB 1.369 43.367 42.059 -0.103 0.000 1.146 168 L HN 0.391 nan 8.230 nan 0.000 0.451 169 S N 0.445 116.106 115.700 -0.065 0.000 2.600 169 S HA 0.059 4.529 4.470 -0.000 0.000 0.265 169 S C 0.831 175.406 174.600 -0.040 0.000 1.325 169 S CA -0.370 57.807 58.200 -0.039 0.000 1.002 169 S CB 0.482 63.665 63.200 -0.028 0.000 0.921 169 S HN 0.540 nan 8.310 nan 0.000 0.554 170 F N 1.128 120.988 119.950 -0.149 0.000 2.095 170 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 170 F C 2.545 178.233 175.800 -0.187 0.000 1.104 170 F CA 2.207 60.101 58.000 -0.176 0.000 1.232 170 F CB -0.461 38.434 39.000 -0.175 0.000 0.987 170 F HN 0.945 nan 8.300 nan 0.000 0.475 171 E N -0.576 119.592 120.200 -0.054 0.000 2.077 171 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 171 E C 2.145 178.592 176.600 -0.255 0.000 0.989 171 E CA 1.252 57.557 56.400 -0.157 0.000 0.800 171 E CB -0.134 29.561 29.700 -0.008 0.000 0.746 171 E HN 0.395 nan 8.360 nan 0.000 0.452 172 Q N -0.008 119.683 119.800 -0.181 0.000 2.119 172 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 172 Q C 2.074 177.920 176.000 -0.257 0.000 0.972 172 Q CA 1.362 57.059 55.803 -0.178 0.000 0.847 172 Q CB -0.331 28.340 28.738 -0.112 0.000 0.903 172 Q HN 0.394 nan 8.270 nan 0.000 0.433 173 A N 0.494 123.130 122.820 -0.306 0.000 1.877 173 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 173 A C 2.140 179.442 177.584 -0.471 0.000 1.186 173 A CA 1.798 53.631 52.037 -0.339 0.000 0.620 173 A CB -0.465 18.333 19.000 -0.337 0.000 0.822 173 A HN 0.347 nan 8.150 nan 0.000 0.443 174 M N -0.051 119.128 119.600 -0.702 0.000 2.117 174 M HA -0.193 4.287 4.480 -0.000 0.000 0.262 174 M C 2.130 177.837 176.300 -0.989 0.000 1.065 174 M CA 1.983 56.727 55.300 -0.926 0.000 1.114 174 M CB -0.528 31.349 32.600 -1.204 0.000 1.361 174 M HN 0.531 nan 8.290 nan 0.000 0.408 175 Q N -1.184 118.177 119.800 -0.732 0.000 2.079 175 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 175 Q C 1.934 177.757 176.000 -0.295 0.000 0.974 175 Q CA 2.165 57.676 55.803 -0.487 0.000 0.840 175 Q CB -0.465 28.111 28.738 -0.271 0.000 0.898 175 Q HN 0.759 nan 8.270 nan 0.000 0.430 176 T N -1.891 112.511 114.554 -0.254 0.000 3.014 176 T HA 0.051 4.401 4.350 -0.000 0.000 0.263 176 T C 1.692 176.304 174.700 -0.147 0.000 1.078 176 T CA 0.387 62.388 62.100 -0.165 0.000 1.135 176 T CB 0.076 68.863 68.868 -0.135 0.000 0.895 176 T HN 0.123 nan 8.240 nan 0.000 0.480 177 R N -0.115 120.271 120.500 -0.192 0.000 2.282 177 R HA 0.409 4.749 4.340 -0.000 0.000 0.195 177 R C 1.381 177.625 176.300 -0.094 0.000 0.909 177 R CA 0.173 56.193 56.100 -0.133 0.000 1.039 177 R CB 0.500 30.712 30.300 -0.146 0.000 1.015 177 R HN 0.289 nan 8.270 nan 0.000 0.513 178 V N -1.142 118.686 119.914 -0.143 0.000 3.161 178 V HA 0.029 4.149 4.120 -0.000 0.000 0.221 178 V C 1.310 177.477 176.094 0.122 0.000 1.296 178 V CA 0.354 62.653 62.300 -0.002 0.000 1.306 178 V CB -0.291 31.513 31.823 -0.031 0.000 1.171 178 V HN -0.026 nan 8.190 nan 0.000 0.513 179 F N 1.673 121.548 119.950 -0.126 0.000 2.069 179 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 179 F C 2.608 178.318 175.800 -0.151 0.000 1.113 179 F CA 1.582 59.471 58.000 -0.185 0.000 1.214 179 F CB -1.207 37.576 39.000 -0.362 0.000 0.978 179 F HN 0.226 nan 8.300 nan 0.000 0.474 180 Q N -0.364 119.459 119.800 0.038 0.000 2.046 180 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 180 Q C -0.329 175.670 176.000 -0.003 0.000 0.975 180 Q CA 1.570 57.360 55.803 -0.022 0.000 0.836 180 Q CB -1.459 27.243 28.738 -0.059 0.000 0.896 180 Q HN 0.284 nan 8.270 nan 0.000 0.428 181 P HA -0.142 nan 4.420 nan 0.000 0.218 181 P C 0.643 177.969 177.300 0.043 0.000 1.148 181 P CA 1.182 64.293 63.100 0.019 0.000 0.822 181 P CB 0.067 31.780 31.700 0.022 0.000 0.784 182 L N -1.374 119.900 121.223 0.084 0.000 2.611 182 L HA 0.161 4.501 4.340 -0.000 0.000 0.229 182 L C 0.328 177.242 176.870 0.075 0.000 1.137 182 L CA 0.034 54.940 54.840 0.109 0.000 0.901 182 L CB -0.686 41.507 42.059 0.223 0.000 1.098 182 L HN -0.050 nan 8.230 nan 0.000 0.456 183 K N 0.990 121.409 120.400 0.030 0.000 3.096 183 K HA -0.170 4.150 4.320 -0.000 0.000 0.266 183 K C -0.294 176.288 176.600 -0.030 0.000 1.043 183 K CA 0.412 56.693 56.287 -0.010 0.000 0.758 183 K CB -1.690 30.809 32.500 -0.001 0.000 1.260 183 K HN 0.345 nan 8.250 nan 0.000 0.481 184 L N 1.476 122.666 121.223 -0.055 0.000 2.389 184 L HA 0.131 4.471 4.340 -0.000 0.000 0.265 184 L C 0.958 177.644 176.870 -0.306 0.000 1.167 184 L CA -0.513 54.239 54.840 -0.147 0.000 1.045 184 L CB 0.178 42.115 42.059 -0.203 0.000 1.351 184 L HN 0.175 nan 8.230 nan 0.000 0.419 185 N N 0.323 118.850 118.700 -0.288 0.000 2.461 185 N HA -0.022 4.718 4.740 -0.000 0.000 0.188 185 N C 0.562 175.657 175.510 -0.692 0.000 1.134 185 N CA 0.613 53.380 53.050 -0.472 0.000 0.878 185 N CB 0.238 38.459 38.487 -0.443 0.000 0.972 185 N HN 0.509 nan 8.380 nan 0.000 0.456 186 H N -0.644 118.296 119.070 -0.217 0.000 2.676 186 H HA 0.283 4.839 4.556 -0.000 0.000 0.238 186 H C -0.372 174.804 175.328 -0.254 0.000 1.276 186 H CA -0.100 55.889 56.048 -0.099 0.000 0.983 186 H CB 0.361 30.114 29.762 -0.015 0.000 2.000 186 H HN -0.141 nan 8.280 nan 0.000 0.584 187 T N 0.853 115.025 114.554 -0.637 0.000 2.841 187 T HA 0.353 4.703 4.350 -0.000 0.000 0.285 187 T C -0.768 173.197 174.700 -1.225 0.000 0.991 187 T CA -0.456 61.111 62.100 -0.890 0.000 0.966 187 T CB 1.447 69.548 68.868 -1.278 0.000 0.962 187 T HN 0.245 nan 8.240 nan 0.000 0.438 188 W N 1.793 122.779 121.300 -0.523 0.000 3.107 188 W HA 0.564 5.224 4.660 0.000 0.000 0.331 188 W C 0.581 176.983 176.519 -0.195 0.000 1.204 188 W CA -0.799 56.383 57.345 -0.272 0.000 1.184 188 W CB 1.155 30.465 29.460 -0.250 0.000 1.421 188 W HN 0.496 nan 8.180 nan 0.000 0.544 189 I N 1.203 121.912 120.570 0.231 0.000 2.628 189 I HA 0.007 4.177 4.170 -0.000 0.000 0.255 189 I C -0.039 176.114 176.117 0.060 0.000 1.119 189 I CA 0.716 62.079 61.300 0.106 0.000 1.448 189 I CB -0.008 38.062 38.000 0.116 0.000 1.133 189 I HN 0.330 nan 8.210 nan 0.000 0.438 190 N N 0.114 118.885 118.700 0.118 0.000 2.483 190 N HA 0.291 5.031 4.740 -0.000 0.000 0.267 190 N C -0.942 174.466 175.510 -0.170 0.000 0.998 190 N CA -0.326 52.710 53.050 -0.023 0.000 0.918 190 N CB 2.264 40.740 38.487 -0.017 0.000 1.215 190 N HN -0.212 nan 8.380 nan 0.000 0.500 191 V N 4.360 124.082 119.914 -0.319 0.000 2.450 191 V HA 0.145 4.265 4.120 -0.000 0.000 0.281 191 V C -1.411 174.342 176.094 -0.568 0.000 1.019 191 V CA -0.893 61.065 62.300 -0.570 0.000 1.062 191 V CB -0.173 31.276 31.823 -0.623 0.000 0.979 191 V HN 0.611 nan 8.190 nan 0.000 0.477 192 P HA 0.268 nan 4.420 nan 0.000 0.274 192 P C -2.325 174.753 177.300 -0.371 0.000 1.246 192 P CA -1.824 60.916 63.100 -0.600 0.000 0.795 192 P CB 0.563 31.775 31.700 -0.814 0.000 1.006 193 P HA -0.179 nan 4.420 nan 0.000 0.216 193 P C 1.466 178.691 177.300 -0.124 0.000 1.150 193 P CA 2.211 65.226 63.100 -0.142 0.000 0.843 193 P CB -0.460 31.180 31.700 -0.099 0.000 0.787 194 A N -0.427 122.308 122.820 -0.141 0.000 2.125 194 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 194 A C 1.959 179.495 177.584 -0.081 0.000 1.156 194 A CA 1.424 53.408 52.037 -0.089 0.000 0.671 194 A CB -0.692 18.268 19.000 -0.067 0.000 0.794 194 A HN 0.115 nan 8.150 nan 0.000 0.459 195 E N -0.732 119.378 120.200 -0.151 0.000 2.476 195 E HA 0.013 4.363 4.350 -0.000 0.000 0.199 195 E C 1.310 177.859 176.600 -0.085 0.000 1.021 195 E CA 0.063 56.395 56.400 -0.115 0.000 0.907 195 E CB 0.041 29.623 29.700 -0.197 0.000 0.974 195 E HN 0.740 nan 8.360 nan 0.000 0.489 196 E N 1.446 121.600 120.200 -0.077 0.000 2.130 196 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 196 E C 1.943 178.562 176.600 0.032 0.000 0.998 196 E CA 1.595 57.993 56.400 -0.003 0.000 0.806 196 E CB -0.037 29.660 29.700 -0.004 0.000 0.738 196 E HN 0.234 nan 8.360 nan 0.000 0.459 197 K N 0.028 120.439 120.400 0.018 0.000 2.280 197 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 197 K C 1.028 177.651 176.600 0.037 0.000 1.047 197 K CA 1.686 57.993 56.287 0.033 0.000 0.942 197 K CB -0.132 32.383 32.500 0.024 0.000 0.739 197 K HN 0.077 nan 8.250 nan 0.000 0.457 198 N N -0.422 118.294 118.700 0.028 0.000 2.280 198 N HA -0.006 4.734 4.740 -0.000 0.000 0.192 198 N C -0.774 174.769 175.510 0.055 0.000 1.109 198 N CA -0.351 52.714 53.050 0.025 0.000 0.855 198 N CB 0.241 38.726 38.487 -0.004 0.000 0.974 198 N HN 0.207 nan 8.380 nan 0.000 0.482 199 Y N 2.272 122.495 120.300 -0.127 0.000 2.539 199 Y HA 0.345 4.895 4.550 -0.000 0.000 0.352 199 Y C 0.334 176.128 175.900 -0.177 0.000 1.004 199 Y CA -1.419 56.563 58.100 -0.196 0.000 1.278 199 Y CB 0.209 38.492 38.460 -0.296 0.000 1.136 199 Y HN -0.006 nan 8.280 nan 0.000 0.528 200 A N 6.083 128.956 122.820 0.088 0.000 2.466 200 A HA -0.010 4.310 4.320 -0.000 0.000 0.238 200 A C -1.053 176.537 177.584 0.009 0.000 1.074 200 A CA -0.103 51.942 52.037 0.014 0.000 0.774 200 A CB 0.292 19.224 19.000 -0.113 0.000 1.015 200 A HN 0.940 nan 8.150 nan 0.000 0.498 201 W N 0.220 121.535 121.300 0.025 0.000 2.381 201 W HA 0.506 5.166 4.660 -0.000 0.000 0.329 201 W C 0.808 177.025 176.519 -0.503 0.000 1.157 201 W CA 0.396 57.577 57.345 -0.273 0.000 1.240 201 W CB 1.430 30.561 29.460 -0.549 0.000 1.199 201 W HN 0.938 nan 8.180 nan 0.000 0.579 202 G N 1.113 109.726 108.800 -0.312 0.000 2.477 202 G HA2 0.546 4.506 3.960 -0.000 0.000 0.304 202 G HA3 0.546 4.506 3.960 -0.000 0.000 0.304 202 G C -2.202 172.296 174.900 -0.671 0.000 1.175 202 G CA -0.492 44.143 45.100 -0.775 0.000 0.907 202 G HN 0.423 nan 8.290 nan 0.000 0.509 203 Y N -0.385 119.833 120.300 -0.138 0.000 2.338 203 Y HA 0.550 5.100 4.550 -0.000 0.000 0.333 203 Y C 0.398 176.291 175.900 -0.011 0.000 0.968 203 Y CA -0.807 57.266 58.100 -0.044 0.000 1.123 203 Y CB 2.311 40.750 38.460 -0.035 0.000 1.165 203 Y HN 0.506 nan 8.280 nan 0.000 0.452 204 R N 2.129 122.692 120.500 0.104 0.000 2.502 204 R HA 0.538 4.878 4.340 -0.000 0.000 0.300 204 R C -0.075 176.269 176.300 0.073 0.000 0.984 204 R CA 0.386 56.536 56.100 0.084 0.000 0.882 204 R CB 1.265 31.602 30.300 0.063 0.000 1.180 204 R HN 0.890 nan 8.270 nan 0.000 0.444 205 E N 2.053 122.294 120.200 0.068 0.000 2.297 205 E HA -0.216 4.134 4.350 -0.000 0.000 0.228 205 E C 0.760 177.391 176.600 0.051 0.000 1.213 205 E CA 1.563 57.992 56.400 0.048 0.000 0.712 205 E CB -2.465 27.255 29.700 0.033 0.000 1.202 205 E HN 1.552 nan 8.360 nan 0.000 0.376 206 G N -1.471 107.376 108.800 0.078 0.000 2.196 206 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.268 206 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.268 206 G C 0.455 175.431 174.900 0.127 0.000 0.975 206 G CA 1.056 46.205 45.100 0.081 0.000 0.648 206 G HN 1.124 nan 8.290 nan 0.000 0.538 207 K N 0.541 121.004 120.400 0.105 0.000 2.138 207 K HA 0.692 5.012 4.320 -0.000 0.000 0.263 207 K C 0.447 177.017 176.600 -0.049 0.000 0.965 207 K CA -0.113 56.193 56.287 0.032 0.000 0.868 207 K CB 1.837 34.323 32.500 -0.023 0.000 1.083 207 K HN 0.418 nan 8.250 nan 0.000 0.443 208 A N 2.180 124.855 122.820 -0.242 0.000 2.450 208 A HA 0.408 4.728 4.320 -0.000 0.000 0.255 208 A C -0.019 177.362 177.584 -0.337 0.000 1.096 208 A CA -0.332 51.334 52.037 -0.619 0.000 0.778 208 A CB -0.084 18.304 19.000 -1.021 0.000 1.031 208 A HN 0.548 nan 8.150 nan 0.000 0.494 209 V N 0.664 120.518 119.914 -0.101 0.000 3.147 209 V HA 0.690 4.810 4.120 -0.000 0.000 0.306 209 V C -0.784 175.460 176.094 0.251 0.000 1.209 209 V CA -0.848 61.520 62.300 0.113 0.000 1.023 209 V CB 1.304 33.172 31.823 0.075 0.000 1.059 209 V HN 0.991 nan 8.190 nan 0.000 0.435 210 H N 0.124 119.326 119.070 0.221 0.000 2.747 210 H HA 0.689 5.245 4.556 -0.000 0.000 0.371 210 H C -0.635 174.786 175.328 0.154 0.000 1.161 210 H CA -0.932 55.176 56.048 0.101 0.000 1.167 210 H CB 2.364 32.042 29.762 -0.139 0.000 1.732 210 H HN 0.810 nan 8.280 nan 0.000 0.544 211 V N 2.846 122.940 119.914 0.300 0.000 2.763 211 V HA 0.023 4.143 4.120 -0.000 0.000 0.306 211 V C 0.087 176.301 176.094 0.200 0.000 1.059 211 V CA 0.236 62.675 62.300 0.231 0.000 1.138 211 V CB 0.782 32.743 31.823 0.230 0.000 0.940 211 V HN 0.855 nan 8.190 nan 0.000 0.489 212 S N 6.569 122.372 115.700 0.172 0.000 2.646 212 S HA 0.678 5.148 4.470 -0.000 0.000 0.276 212 S C -2.531 172.159 174.600 0.150 0.000 1.222 212 S CA -1.266 57.019 58.200 0.142 0.000 1.014 212 S CB 1.088 64.354 63.200 0.110 0.000 0.991 212 S HN 0.753 nan 8.310 nan 0.000 0.533 213 P HA 0.495 nan 4.420 nan 0.000 0.267 213 P C -0.005 177.350 177.300 0.092 0.000 1.200 213 P CA 0.058 63.207 63.100 0.082 0.000 0.772 213 P CB 0.341 32.069 31.700 0.048 0.000 0.855 214 G N 0.136 108.982 108.800 0.077 0.000 2.646 214 G HA2 0.557 4.517 3.960 -0.000 0.000 0.291 214 G HA3 0.557 4.517 3.960 -0.000 0.000 0.291 214 G C -1.449 173.456 174.900 0.007 0.000 1.445 214 G CA -0.515 44.635 45.100 0.083 0.000 0.814 214 G HN 0.537 nan 8.290 nan 0.000 0.495 215 A N 0.325 123.143 122.820 -0.003 0.000 2.520 215 A HA 0.549 4.869 4.320 -0.000 0.000 0.245 215 A C 1.373 178.917 177.584 -0.067 0.000 1.072 215 A CA 0.406 52.420 52.037 -0.038 0.000 0.761 215 A CB -0.407 18.572 19.000 -0.035 0.000 1.004 215 A HN 1.739 nan 8.150 nan 0.000 0.499 216 L N 0.587 121.732 121.223 -0.129 0.000 4.001 216 L HA -0.315 4.025 4.340 -0.000 0.000 0.413 216 L C 1.101 177.761 176.870 -0.349 0.000 1.185 216 L CA 0.652 55.367 54.840 -0.209 0.000 0.963 216 L CB -1.779 40.222 42.059 -0.097 0.000 1.976 216 L HN 1.005 nan 8.230 nan 0.000 0.939 217 D N 0.147 120.289 120.400 -0.429 0.000 2.117 217 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 217 D C 1.978 177.851 176.300 -0.711 0.000 0.982 217 D CA 1.343 54.793 54.000 -0.918 0.000 0.828 217 D CB -0.116 40.312 40.800 -0.619 0.000 0.967 217 D HN 0.418 nan 8.370 nan 0.000 0.464 218 A N 0.780 123.358 122.820 -0.404 0.000 1.908 218 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 218 A C 2.110 179.528 177.584 -0.277 0.000 1.181 218 A CA 2.001 53.896 52.037 -0.238 0.000 0.627 218 A CB -0.694 18.247 19.000 -0.098 0.000 0.818 218 A HN 0.217 nan 8.150 nan 0.000 0.445 219 E N -0.540 119.311 120.200 -0.582 0.000 2.152 219 E HA 0.122 4.472 4.350 -0.000 0.000 0.192 219 E C 1.959 178.433 176.600 -0.211 0.000 0.983 219 E CA 1.277 57.290 56.400 -0.646 0.000 0.818 219 E CB -0.213 29.027 29.700 -0.768 0.000 0.758 219 E HN 0.599 nan 8.360 nan 0.000 0.467 220 A N -0.594 122.097 122.820 -0.215 0.000 2.108 220 A HA 0.119 4.439 4.320 -0.000 0.000 0.206 220 A C 0.691 178.364 177.584 0.149 0.000 1.212 220 A CA 0.425 52.461 52.037 -0.002 0.000 0.843 220 A CB 0.053 19.107 19.000 0.090 0.000 0.902 220 A HN 0.402 nan 8.150 nan 0.000 0.477 221 Y N -4.489 115.837 120.300 0.043 0.000 2.998 221 Y HA 0.452 5.002 4.550 -0.000 0.000 0.264 221 Y C 0.859 176.783 175.900 0.041 0.000 1.092 221 Y CA -0.439 57.699 58.100 0.064 0.000 1.247 221 Y CB -0.419 38.084 38.460 0.072 0.000 1.283 221 Y HN -0.017 nan 8.280 nan 0.000 0.605 222 G N 0.829 109.576 108.800 -0.089 0.000 3.189 222 G HA2 0.370 4.330 3.960 -0.000 0.000 0.225 222 G HA3 0.370 4.330 3.960 -0.000 0.000 0.225 222 G C -0.192 174.686 174.900 -0.038 0.000 1.159 222 G CA 0.085 45.144 45.100 -0.068 0.000 0.763 222 G HN 0.118 nan 8.290 nan 0.000 0.549 223 V N 0.362 120.252 119.914 -0.041 0.000 2.607 223 V HA 0.449 4.569 4.120 -0.000 0.000 0.289 223 V C -0.263 175.731 176.094 -0.167 0.000 1.053 223 V CA -0.485 61.731 62.300 -0.139 0.000 0.996 223 V CB 1.535 33.178 31.823 -0.301 0.000 0.995 223 V HN 0.127 nan 8.190 nan 0.000 0.476 224 K N 2.175 122.437 120.400 -0.230 0.000 2.324 224 K HA 0.786 5.106 4.320 -0.000 0.000 0.253 224 K C -0.588 175.875 176.600 -0.229 0.000 0.932 224 K CA -0.174 55.969 56.287 -0.239 0.000 0.799 224 K CB 2.036 34.298 32.500 -0.397 0.000 1.154 224 K HN 0.731 nan 8.250 nan 0.000 0.425 225 S N 0.252 115.886 115.700 -0.111 0.000 2.625 225 S HA 0.618 5.088 4.470 -0.000 0.000 0.271 225 S C -1.162 173.496 174.600 0.097 0.000 1.161 225 S CA -0.701 57.447 58.200 -0.086 0.000 0.820 225 S CB 0.984 64.092 63.200 -0.153 0.000 1.137 225 S HN 0.666 nan 8.310 nan 0.000 0.470 226 T N 0.221 114.834 114.554 0.099 0.000 2.912 226 T HA 0.521 4.871 4.350 -0.000 0.000 0.280 226 T C 1.239 176.044 174.700 0.176 0.000 0.989 226 T CA -0.531 61.673 62.100 0.175 0.000 0.995 226 T CB 0.836 69.752 68.868 0.080 0.000 1.077 226 T HN 0.465 nan 8.240 nan 0.000 0.531 227 I N 0.695 121.384 120.570 0.199 0.000 2.394 227 I HA -0.041 4.128 4.170 -0.000 0.000 0.251 227 I C 2.309 178.562 176.117 0.228 0.000 1.136 227 I CA 1.429 62.858 61.300 0.215 0.000 1.425 227 I CB -0.542 37.612 38.000 0.257 0.000 1.079 227 I HN 0.805 nan 8.210 nan 0.000 0.425 228 E N -0.038 120.192 120.200 0.049 0.000 2.072 228 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 228 E C 1.621 178.313 176.600 0.154 0.000 0.985 228 E CA 1.383 57.799 56.400 0.026 0.000 0.801 228 E CB -0.176 29.421 29.700 -0.172 0.000 0.750 228 E HN 0.485 nan 8.360 nan 0.000 0.452 229 D N 0.243 120.714 120.400 0.119 0.000 2.144 229 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 229 D C 1.829 178.251 176.300 0.204 0.000 0.978 229 D CA 0.849 54.919 54.000 0.117 0.000 0.833 229 D CB -0.005 40.805 40.800 0.016 0.000 0.961 229 D HN 0.066 nan 8.370 nan 0.000 0.470 230 M N 0.306 120.043 119.600 0.228 0.000 2.229 230 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 230 M C 2.172 178.664 176.300 0.320 0.000 1.063 230 M CA 0.581 56.075 55.300 0.323 0.000 1.114 230 M CB -0.986 31.786 32.600 0.286 0.000 1.387 230 M HN -0.026 nan 8.290 nan 0.000 0.420 231 A N -0.072 122.916 122.820 0.279 0.000 1.902 231 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 231 A C 2.382 180.054 177.584 0.147 0.000 1.181 231 A CA 1.777 53.940 52.037 0.210 0.000 0.623 231 A CB -0.658 18.505 19.000 0.272 0.000 0.818 231 A HN 0.453 nan 8.150 nan 0.000 0.443 232 R N -1.363 119.248 120.500 0.185 0.000 2.092 232 R HA -0.158 4.182 4.340 -0.000 0.000 0.231 232 R C 2.137 178.549 176.300 0.187 0.000 1.119 232 R CA 1.482 57.669 56.100 0.145 0.000 0.970 232 R CB -0.376 30.015 30.300 0.151 0.000 0.864 232 R HN 0.829 nan 8.270 nan 0.000 0.440 233 W N 0.387 121.716 121.300 0.048 0.000 2.358 233 W HA -0.188 4.472 4.660 0.000 0.000 0.303 233 W C 1.339 177.810 176.519 -0.079 0.000 1.208 233 W CA 1.134 58.495 57.345 0.028 0.000 1.274 233 W CB 0.036 29.562 29.460 0.111 0.000 1.138 233 W HN -0.022 nan 8.180 nan 0.000 0.515 234 V N 1.325 121.199 119.914 -0.066 0.000 2.358 234 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 234 V C 2.381 178.158 176.094 -0.529 0.000 1.047 234 V CA 2.199 64.260 62.300 -0.399 0.000 1.035 234 V CB -0.986 30.729 31.823 -0.179 0.000 0.658 234 V HN 0.226 nan 8.190 nan 0.000 0.452 235 Q N -0.143 119.489 119.800 -0.280 0.000 2.096 235 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 235 Q C 2.468 178.281 176.000 -0.312 0.000 0.982 235 Q CA 1.995 57.642 55.803 -0.260 0.000 0.850 235 Q CB -0.304 28.356 28.738 -0.131 0.000 0.901 235 Q HN 0.592 nan 8.270 nan 0.000 0.422 236 S N 0.865 116.395 115.700 -0.284 0.000 2.383 236 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 236 S C 1.507 175.842 174.600 -0.442 0.000 1.026 236 S CA 0.891 58.928 58.200 -0.271 0.000 0.981 236 S CB -0.140 62.973 63.200 -0.146 0.000 0.818 236 S HN 0.374 nan 8.310 nan 0.000 0.472 237 N N 0.822 119.081 118.700 -0.734 0.000 2.416 237 N HA 0.080 4.820 4.740 -0.000 0.000 0.177 237 N C 1.381 176.348 175.510 -0.905 0.000 1.036 237 N CA 0.331 52.847 53.050 -0.890 0.000 0.901 237 N CB -0.081 37.634 38.487 -1.287 0.000 0.976 237 N HN 0.199 nan 8.380 nan 0.000 0.444 238 L N 1.032 121.724 121.223 -0.885 0.000 2.095 238 L HA 0.070 4.410 4.340 -0.000 0.000 0.204 238 L C 0.511 177.178 176.870 -0.339 0.000 1.080 238 L CA 1.743 56.211 54.840 -0.621 0.000 0.759 238 L CB -0.080 41.669 42.059 -0.516 0.000 0.914 238 L HN -0.117 nan 8.230 nan 0.000 0.439 239 K N -0.253 119.967 120.400 -0.300 0.000 2.753 239 K HA 0.248 4.568 4.320 -0.000 0.000 0.185 239 K C -1.876 174.620 176.600 -0.173 0.000 1.071 239 K CA -1.210 54.959 56.287 -0.197 0.000 0.999 239 K CB 1.365 33.768 32.500 -0.162 0.000 1.244 239 K HN -0.025 nan 8.250 nan 0.000 0.594 240 P HA -0.142 nan 4.420 nan 0.000 0.222 240 P C 1.055 178.304 177.300 -0.085 0.000 1.147 240 P CA 0.839 63.862 63.100 -0.128 0.000 0.790 240 P CB 0.304 31.933 31.700 -0.119 0.000 0.780 241 L N -0.307 120.868 121.223 -0.080 0.000 2.353 241 L HA -0.119 4.221 4.340 -0.000 0.000 0.220 241 L C 1.466 178.304 176.870 -0.054 0.000 1.133 241 L CA 1.247 56.051 54.840 -0.060 0.000 0.798 241 L CB -0.994 41.031 42.059 -0.057 0.000 0.922 241 L HN -0.080 nan 8.230 nan 0.000 0.445 242 D N -0.102 120.259 120.400 -0.064 0.000 2.363 242 D HA 0.101 4.740 4.640 -0.000 0.000 0.220 242 D C 0.563 176.838 176.300 -0.042 0.000 0.994 242 D CA 0.545 54.513 54.000 -0.055 0.000 0.890 242 D CB 0.133 40.894 40.800 -0.066 0.000 0.906 242 D HN 0.234 nan 8.370 nan 0.000 0.530 243 I N 0.505 121.050 120.570 -0.040 0.000 2.371 243 I HA 0.129 4.299 4.170 -0.000 0.000 0.290 243 I C 1.811 177.918 176.117 -0.018 0.000 1.028 243 I CA -0.276 61.010 61.300 -0.024 0.000 1.345 243 I CB 1.168 39.156 38.000 -0.020 0.000 1.407 243 I HN -0.016 nan 8.210 nan 0.000 0.501 244 N N 5.791 124.484 118.700 -0.012 0.000 2.080 244 N HA -0.100 4.640 4.740 -0.000 0.000 0.189 244 N C 0.786 176.291 175.510 -0.009 0.000 1.036 244 N CA 0.871 53.915 53.050 -0.011 0.000 0.846 244 N CB -0.429 38.052 38.487 -0.010 0.000 1.015 244 N HN 0.683 nan 8.380 nan 0.000 0.423 245 E N 1.017 121.215 120.200 -0.005 0.000 2.341 245 E HA 0.005 4.355 4.350 -0.000 0.000 0.256 245 E C 0.353 176.952 176.600 -0.003 0.000 1.125 245 E CA -0.030 56.367 56.400 -0.004 0.000 0.939 245 E CB 0.664 30.364 29.700 -0.000 0.000 0.991 245 E HN 0.573 nan 8.360 nan 0.000 0.458 246 K N 1.227 121.624 120.400 -0.005 0.000 2.044 246 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 246 K C 2.236 178.837 176.600 0.001 0.000 1.049 246 K CA 2.180 58.464 56.287 -0.004 0.000 0.927 246 K CB -0.347 32.150 32.500 -0.005 0.000 0.713 246 K HN 0.539 nan 8.250 nan 0.000 0.443 247 T N 0.006 114.562 114.554 0.002 0.000 2.915 247 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 247 T C 1.821 176.531 174.700 0.017 0.000 1.071 247 T CA 0.771 62.875 62.100 0.008 0.000 1.132 247 T CB -0.175 68.694 68.868 0.002 0.000 0.878 247 T HN 0.051 nan 8.240 nan 0.000 0.479 248 L N 1.269 122.502 121.223 0.017 0.000 2.072 248 L HA 0.089 4.429 4.340 -0.000 0.000 0.205 248 L C 2.819 179.708 176.870 0.031 0.000 1.079 248 L CA 1.858 56.719 54.840 0.035 0.000 0.752 248 L CB -1.097 40.986 42.059 0.040 0.000 0.906 248 L HN 0.405 nan 8.230 nan 0.000 0.436 249 Q N -0.756 119.051 119.800 0.011 0.000 2.045 249 Q HA -0.318 4.022 4.340 -0.000 0.000 0.206 249 Q C 2.162 178.162 176.000 -0.000 0.000 0.991 249 Q CA 2.501 58.300 55.803 -0.006 0.000 0.851 249 Q CB -0.194 28.536 28.738 -0.014 0.000 0.911 249 Q HN 0.660 nan 8.270 nan 0.000 0.418 250 Q N -0.581 119.225 119.800 0.010 0.000 2.124 250 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 250 Q C 2.047 178.071 176.000 0.041 0.000 0.977 250 Q CA 1.300 57.114 55.803 0.018 0.000 0.850 250 Q CB -0.265 28.484 28.738 0.019 0.000 0.901 250 Q HN 0.596 nan 8.270 nan 0.000 0.429 251 G N 0.726 109.558 108.800 0.054 0.000 2.402 251 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 251 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 251 G C 1.399 176.363 174.900 0.108 0.000 1.162 251 G CA 0.536 45.688 45.100 0.087 0.000 0.777 251 G HN 0.233 nan 8.290 nan 0.000 0.539 252 I N 0.325 120.941 120.570 0.075 0.000 2.226 252 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 252 I C 3.040 179.185 176.117 0.046 0.000 1.100 252 I CA 1.273 62.605 61.300 0.053 0.000 1.374 252 I CB -0.284 37.689 38.000 -0.045 0.000 1.057 252 I HN 0.266 nan 8.210 nan 0.000 0.413 253 Q N 0.492 120.303 119.800 0.020 0.000 2.084 253 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 253 Q C 2.361 178.391 176.000 0.051 0.000 0.978 253 Q CA 1.348 57.156 55.803 0.009 0.000 0.844 253 Q CB -0.150 28.582 28.738 -0.010 0.000 0.898 253 Q HN 0.521 nan 8.270 nan 0.000 0.426 254 L N 0.117 121.394 121.223 0.090 0.000 2.131 254 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 254 L C 2.373 179.393 176.870 0.251 0.000 1.092 254 L CA 0.797 55.728 54.840 0.152 0.000 0.759 254 L CB -0.534 41.623 42.059 0.162 0.000 0.903 254 L HN 0.213 nan 8.230 nan 0.000 0.435 255 A N -0.865 122.102 122.820 0.245 0.000 2.121 255 A HA -0.155 4.164 4.320 -0.000 0.000 0.218 255 A C 2.033 179.843 177.584 0.377 0.000 1.154 255 A CA 1.050 53.290 52.037 0.337 0.000 0.679 255 A CB -0.212 19.017 19.000 0.382 0.000 0.795 255 A HN 0.493 nan 8.150 nan 0.000 0.458 256 Q N -0.167 119.767 119.800 0.224 0.000 2.247 256 Q HA 0.196 4.536 4.340 -0.000 0.000 0.204 256 Q C -0.135 175.886 176.000 0.036 0.000 0.872 256 Q CA -0.321 55.559 55.803 0.128 0.000 0.951 256 Q CB 0.498 29.238 28.738 0.004 0.000 1.099 256 Q HN 0.495 nan 8.270 nan 0.000 0.501 257 S N 0.955 116.656 115.700 0.002 0.000 2.579 257 S HA 0.201 4.671 4.470 -0.000 0.000 0.275 257 S C 0.081 174.474 174.600 -0.344 0.000 1.345 257 S CA -0.061 57.975 58.200 -0.272 0.000 1.031 257 S CB 0.546 63.416 63.200 -0.550 0.000 0.892 257 S HN 0.231 nan 8.310 nan 0.000 0.529 258 R N 1.423 121.694 120.500 -0.382 0.000 2.198 258 R HA 0.247 4.587 4.340 -0.000 0.000 0.339 258 R C -0.399 175.712 176.300 -0.316 0.000 1.020 258 R CA -0.144 55.843 56.100 -0.188 0.000 0.864 258 R CB 0.426 30.613 30.300 -0.190 0.000 1.105 258 R HN 0.686 nan 8.270 nan 0.000 0.463 259 Y N 0.661 120.953 120.300 -0.014 0.000 2.503 259 Y HA 0.150 4.700 4.550 -0.000 0.000 0.277 259 Y C 0.064 175.629 175.900 -0.558 0.000 1.102 259 Y CA 0.219 58.139 58.100 -0.300 0.000 1.261 259 Y CB 0.574 38.853 38.460 -0.302 0.000 1.096 259 Y HN 0.463 nan 8.280 nan 0.000 0.546 260 W N -0.223 121.245 121.300 0.279 0.000 3.217 260 W HA 0.533 5.193 4.660 0.000 0.000 0.323 260 W C -0.943 175.681 176.519 0.175 0.000 1.216 260 W CA -0.998 56.467 57.345 0.200 0.000 1.194 260 W CB 1.100 30.662 29.460 0.171 0.000 1.397 260 W HN -0.452 nan 8.180 nan 0.000 0.537 261 Q N 1.524 121.518 119.800 0.324 0.000 2.353 261 Q HA 0.712 5.052 4.340 -0.000 0.000 0.268 261 Q C -0.855 175.160 176.000 0.025 0.000 1.045 261 Q CA -0.590 55.228 55.803 0.026 0.000 0.811 261 Q CB 2.191 30.862 28.738 -0.111 0.000 1.305 261 Q HN 0.486 nan 8.270 nan 0.000 0.447 262 T N 0.806 115.320 114.554 -0.065 0.000 2.965 262 T HA 0.648 4.998 4.350 -0.000 0.000 0.306 262 T C 0.582 175.224 174.700 -0.096 0.000 0.991 262 T CA 0.137 62.209 62.100 -0.046 0.000 1.001 262 T CB 1.123 69.986 68.868 -0.008 0.000 0.984 262 T HN 1.035 nan 8.240 nan 0.000 0.446 263 G N 4.867 113.612 108.800 -0.093 0.000 2.583 263 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.292 263 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.292 263 G C 0.442 175.252 174.900 -0.149 0.000 1.203 263 G CA 0.716 45.759 45.100 -0.095 0.000 0.987 263 G HN 1.146 nan 8.290 nan 0.000 0.554 264 D N 0.131 120.456 120.400 -0.125 0.000 2.328 264 D HA 0.257 4.897 4.640 -0.000 0.000 0.221 264 D C 1.133 177.336 176.300 -0.162 0.000 1.072 264 D CA 0.397 54.319 54.000 -0.130 0.000 0.850 264 D CB 0.097 40.859 40.800 -0.063 0.000 0.922 264 D HN 0.486 nan 8.370 nan 0.000 0.516 265 M N 0.706 120.191 119.600 -0.192 0.000 2.472 265 M HA 0.399 4.879 4.480 -0.000 0.000 0.331 265 M C -1.693 174.474 176.300 -0.223 0.000 1.170 265 M CA -0.608 54.652 55.300 -0.067 0.000 1.009 265 M CB 1.735 34.386 32.600 0.084 0.000 1.672 265 M HN -0.170 nan 8.290 nan 0.000 0.453 266 Y N 1.420 121.830 120.300 0.185 0.000 2.409 266 Y HA 0.413 4.963 4.550 -0.000 0.000 0.343 266 Y C -0.320 175.741 175.900 0.268 0.000 0.973 266 Y CA -0.749 57.473 58.100 0.202 0.000 1.064 266 Y CB 1.625 40.169 38.460 0.140 0.000 1.207 266 Y HN 0.561 nan 8.280 nan 0.000 0.452 267 Q N 1.701 121.784 119.800 0.473 0.000 2.278 267 Q HA 0.628 4.968 4.340 -0.000 0.000 0.257 267 Q C -0.124 176.177 176.000 0.502 0.000 0.928 267 Q CA -0.268 55.817 55.803 0.470 0.000 0.932 267 Q CB 1.355 30.386 28.738 0.488 0.000 1.221 267 Q HN 0.897 nan 8.270 nan 0.000 0.434 268 G N 2.755 111.827 108.800 0.453 0.000 2.890 268 G HA2 0.498 4.458 3.960 -0.000 0.000 0.189 268 G HA3 0.498 4.458 3.960 -0.000 0.000 0.189 268 G C -0.966 174.126 174.900 0.320 0.000 1.342 268 G CA -0.845 44.550 45.100 0.493 0.000 1.026 268 G HN 0.590 nan 8.290 nan 0.000 0.579 269 L N 1.161 122.540 121.223 0.261 0.000 2.270 269 L HA 0.458 4.798 4.340 -0.000 0.000 0.286 269 L C 1.351 178.286 176.870 0.108 0.000 1.059 269 L CA 0.439 55.302 54.840 0.040 0.000 0.839 269 L CB 0.533 42.610 42.059 0.030 0.000 1.221 269 L HN 1.050 nan 8.230 nan 0.000 0.431 270 G N 2.277 111.112 108.800 0.059 0.000 3.909 270 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 270 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 270 G C -0.009 174.943 174.900 0.087 0.000 1.404 270 G CA -0.197 44.928 45.100 0.042 0.000 0.905 270 G HN 0.511 nan 8.290 nan 0.000 0.589 271 W N 2.213 123.651 121.300 0.230 0.000 2.137 271 W HA 0.589 5.249 4.660 -0.000 0.000 0.344 271 W C 0.799 177.469 176.519 0.251 0.000 1.286 271 W CA -0.144 57.330 57.345 0.215 0.000 1.240 271 W CB 0.413 29.971 29.460 0.164 0.000 1.141 271 W HN 0.336 nan 8.180 nan 0.000 0.579 272 E N 1.308 121.855 120.200 0.579 0.000 2.256 272 E HA 0.567 4.917 4.350 -0.000 0.000 0.267 272 E C -0.905 175.988 176.600 0.488 0.000 0.892 272 E CA -1.109 55.594 56.400 0.505 0.000 0.775 272 E CB 1.814 31.800 29.700 0.476 0.000 1.207 272 E HN 0.160 nan 8.360 nan 0.000 0.420 273 M N 1.901 121.744 119.600 0.405 0.000 2.550 273 M HA 0.506 4.986 4.480 -0.000 0.000 0.292 273 M C -1.569 174.955 176.300 0.374 0.000 1.221 273 M CA -0.394 55.086 55.300 0.300 0.000 0.873 273 M CB 1.751 34.461 32.600 0.182 0.000 1.727 273 M HN 0.312 nan 8.290 nan 0.000 0.459 274 L N 0.302 121.714 121.223 0.315 0.000 2.393 274 L HA 0.560 4.900 4.340 -0.000 0.000 0.260 274 L C -0.820 176.219 176.870 0.280 0.000 1.002 274 L CA -0.686 54.345 54.840 0.319 0.000 0.818 274 L CB 1.924 44.091 42.059 0.179 0.000 1.369 274 L HN 0.551 nan 8.230 nan 0.000 0.412 275 D N 0.747 121.299 120.400 0.253 0.000 2.414 275 D HA 0.004 4.644 4.640 -0.000 0.000 0.242 275 D C -0.956 175.480 176.300 0.227 0.000 1.129 275 D CA 0.172 54.286 54.000 0.192 0.000 0.885 275 D CB 1.192 42.073 40.800 0.134 0.000 1.198 275 D HN 0.353 nan 8.370 nan 0.000 0.437 276 W N 4.319 125.674 121.300 0.091 0.000 2.469 276 W HA 0.285 4.945 4.660 -0.000 0.000 0.320 276 W C -2.261 174.307 176.519 0.082 0.000 1.086 276 W CA -1.820 55.597 57.345 0.119 0.000 1.211 276 W CB 1.127 30.675 29.460 0.147 0.000 1.298 276 W HN 0.236 nan 8.180 nan 0.000 0.525 277 P HA 0.099 nan 4.420 nan 0.000 0.271 277 P C -0.871 176.071 177.300 -0.596 0.000 1.218 277 P CA -0.072 62.228 63.100 -1.333 0.000 0.780 277 P CB 2.171 33.344 31.700 -0.878 0.000 0.901 278 V N 1.944 121.518 119.914 -0.567 0.000 2.975 278 V HA 0.321 4.441 4.120 -0.000 0.000 0.318 278 V C 0.069 175.905 176.094 -0.430 0.000 1.077 278 V CA -1.069 61.036 62.300 -0.325 0.000 1.000 278 V CB 1.684 33.355 31.823 -0.254 0.000 1.066 278 V HN 0.672 nan 8.190 nan 0.000 0.452 279 N N 5.151 123.623 118.700 -0.379 0.000 2.401 279 N HA 0.285 5.025 4.740 -0.000 0.000 0.255 279 N C -1.663 173.490 175.510 -0.596 0.000 1.110 279 N CA -1.630 51.171 53.050 -0.414 0.000 0.949 279 N CB 1.743 40.065 38.487 -0.275 0.000 1.110 279 N HN 0.471 nan 8.380 nan 0.000 0.490 280 P HA -0.119 nan 4.420 nan 0.000 0.215 280 P C 0.478 177.393 177.300 -0.641 0.000 1.153 280 P CA 1.146 63.556 63.100 -1.150 0.000 0.853 280 P CB 0.505 31.030 31.700 -1.958 0.000 0.788 281 D N -0.440 119.685 120.400 -0.460 0.000 2.178 281 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 281 D C 2.188 178.347 176.300 -0.234 0.000 0.980 281 D CA 1.057 54.883 54.000 -0.290 0.000 0.842 281 D CB -0.486 40.185 40.800 -0.215 0.000 0.948 281 D HN 0.161 nan 8.370 nan 0.000 0.472 282 S N 0.645 116.197 115.700 -0.248 0.000 2.356 282 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 282 S C 2.202 176.710 174.600 -0.154 0.000 1.032 282 S CA 1.049 59.142 58.200 -0.179 0.000 1.005 282 S CB -0.215 62.880 63.200 -0.175 0.000 0.867 282 S HN 0.401 nan 8.310 nan 0.000 0.449 283 I N -1.196 119.244 120.570 -0.218 0.000 2.500 283 I HA 0.043 4.213 4.170 -0.000 0.000 0.252 283 I C 2.087 178.166 176.117 -0.063 0.000 1.142 283 I CA 1.034 62.264 61.300 -0.117 0.000 1.451 283 I CB -0.492 37.369 38.000 -0.232 0.000 1.093 283 I HN 0.228 nan 8.210 nan 0.000 0.430 284 I N 1.989 122.473 120.570 -0.143 0.000 2.163 284 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 284 I C 2.261 178.329 176.117 -0.081 0.000 1.081 284 I CA 1.411 62.648 61.300 -0.105 0.000 1.353 284 I CB -0.601 37.315 38.000 -0.139 0.000 1.054 284 I HN 0.276 nan 8.210 nan 0.000 0.407 285 N N 1.081 119.725 118.700 -0.094 0.000 2.244 285 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 285 N C 1.838 177.314 175.510 -0.056 0.000 1.016 285 N CA 1.458 54.465 53.050 -0.072 0.000 0.866 285 N CB -0.627 37.813 38.487 -0.078 0.000 0.980 285 N HN 0.394 nan 8.380 nan 0.000 0.430 286 G N 0.136 108.906 108.800 -0.049 0.000 2.598 286 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 286 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 286 G C 1.507 176.396 174.900 -0.019 0.000 1.131 286 G CA 1.015 46.098 45.100 -0.027 0.000 0.785 286 G HN 0.481 nan 8.290 nan 0.000 0.539 287 S N -0.431 115.257 115.700 -0.020 0.000 2.527 287 S HA 0.027 4.497 4.470 -0.000 0.000 0.222 287 S C 0.737 175.293 174.600 -0.073 0.000 0.985 287 S CA -0.092 58.084 58.200 -0.040 0.000 0.921 287 S CB 0.035 63.212 63.200 -0.039 0.000 0.772 287 S HN 0.254 nan 8.310 nan 0.000 0.529 288 D N 2.110 122.473 120.400 -0.062 0.000 2.458 288 D HA 0.075 4.715 4.640 -0.000 0.000 0.243 288 D C 0.462 176.724 176.300 -0.063 0.000 1.146 288 D CA 0.029 53.994 54.000 -0.059 0.000 0.877 288 D CB 0.560 41.332 40.800 -0.046 0.000 1.176 288 D HN 0.083 nan 8.370 nan 0.000 0.461 289 N N 3.347 122.009 118.700 -0.062 0.000 2.272 289 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 289 N C 1.309 176.795 175.510 -0.040 0.000 1.014 289 N CA 0.793 53.806 53.050 -0.062 0.000 0.870 289 N CB 0.035 38.494 38.487 -0.048 0.000 0.975 289 N HN 0.536 nan 8.380 nan 0.000 0.433 290 K N 0.214 120.596 120.400 -0.029 0.000 2.152 290 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 290 K C 1.738 178.325 176.600 -0.021 0.000 1.048 290 K CA 0.842 57.118 56.287 -0.018 0.000 0.933 290 K CB 0.145 32.635 32.500 -0.017 0.000 0.721 290 K HN 0.253 nan 8.250 nan 0.000 0.447 291 I N -0.280 120.269 120.570 -0.034 0.000 2.947 291 I HA -0.035 4.135 4.170 -0.000 0.000 0.263 291 I C 2.261 178.350 176.117 -0.046 0.000 1.130 291 I CA 0.253 61.532 61.300 -0.035 0.000 1.448 291 I CB -0.048 37.930 38.000 -0.037 0.000 1.222 291 I HN 0.010 nan 8.210 nan 0.000 0.453 292 A N 0.932 123.709 122.820 -0.072 0.000 2.019 292 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 292 A C 2.053 179.560 177.584 -0.129 0.000 1.164 292 A CA 1.290 53.254 52.037 -0.122 0.000 0.644 292 A CB -0.562 18.323 19.000 -0.191 0.000 0.805 292 A HN 0.430 nan 8.150 nan 0.000 0.449 293 L N -1.085 120.096 121.223 -0.069 0.000 2.607 293 L HA 0.278 4.618 4.340 -0.000 0.000 0.228 293 L C 1.118 178.009 176.870 0.035 0.000 1.123 293 L CA -0.110 54.729 54.840 -0.002 0.000 0.890 293 L CB -0.239 41.831 42.059 0.020 0.000 1.103 293 L HN 0.349 nan 8.230 nan 0.000 0.468 294 A N 0.766 123.593 122.820 0.012 0.000 2.322 294 A HA 0.676 4.996 4.320 -0.000 0.000 0.269 294 A C 0.432 178.019 177.584 0.006 0.000 1.094 294 A CA -0.200 51.851 52.037 0.023 0.000 0.807 294 A CB 0.500 19.503 19.000 0.004 0.000 1.047 294 A HN 0.193 nan 8.150 nan 0.000 0.487 295 A N 2.058 124.881 122.820 0.005 0.000 2.440 295 A HA 0.579 4.899 4.320 -0.000 0.000 0.251 295 A C 0.343 177.825 177.584 -0.170 0.000 1.089 295 A CA -0.117 51.848 52.037 -0.121 0.000 0.779 295 A CB 0.130 18.982 19.000 -0.248 0.000 1.022 295 A HN 0.730 nan 8.150 nan 0.000 0.492 296 R N 2.118 122.494 120.500 -0.207 0.000 2.673 296 R HA 0.476 4.815 4.340 -0.000 0.000 0.281 296 R C -3.139 173.029 176.300 -0.220 0.000 0.991 296 R CA -2.052 53.947 56.100 -0.169 0.000 0.896 296 R CB 2.065 32.309 30.300 -0.093 0.000 1.201 296 R HN 0.539 nan 8.270 nan 0.000 0.457 297 P HA 0.105 nan 4.420 nan 0.000 0.275 297 P C -0.207 177.032 177.300 -0.102 0.000 1.227 297 P CA -0.256 62.734 63.100 -0.182 0.000 0.781 297 P CB 0.922 32.541 31.700 -0.136 0.000 0.906 298 V N -1.584 118.277 119.914 -0.088 0.000 2.715 298 V HA 0.894 5.014 4.120 -0.000 0.000 0.310 298 V C -0.056 176.144 176.094 0.177 0.000 1.054 298 V CA -1.172 61.152 62.300 0.040 0.000 0.928 298 V CB 0.964 32.765 31.823 -0.036 0.000 1.007 298 V HN 0.604 nan 8.190 nan 0.000 0.437 299 K N 1.658 122.214 120.400 0.260 0.000 2.244 299 K HA 0.921 5.241 4.320 -0.000 0.000 0.260 299 K C 0.057 176.887 176.600 0.384 0.000 0.951 299 K CA -0.351 56.092 56.287 0.260 0.000 0.826 299 K CB 1.448 34.034 32.500 0.144 0.000 1.108 299 K HN 2.002 nan 8.250 nan 0.000 0.433 300 A N 1.712 124.725 122.820 0.322 0.000 2.425 300 A HA 0.651 4.971 4.320 -0.000 0.000 0.249 300 A C -0.058 177.493 177.584 -0.056 0.000 1.084 300 A CA -0.354 51.676 52.037 -0.012 0.000 0.781 300 A CB -0.252 18.697 19.000 -0.085 0.000 1.019 300 A HN 0.772 nan 8.150 nan 0.000 0.490 301 I N 2.451 122.910 120.570 -0.185 0.000 2.337 301 I HA 0.210 4.380 4.170 -0.000 0.000 0.285 301 I C -0.302 175.725 176.117 -0.150 0.000 1.041 301 I CA 0.024 61.264 61.300 -0.100 0.000 1.199 301 I CB 1.287 39.245 38.000 -0.071 0.000 1.370 301 I HN 0.523 nan 8.210 nan 0.000 0.470 302 T N 6.428 120.927 114.554 -0.091 0.000 2.874 302 T HA 0.411 4.761 4.350 -0.000 0.000 0.321 302 T C -1.663 173.004 174.700 -0.055 0.000 1.075 302 T CA -0.949 61.104 62.100 -0.078 0.000 0.966 302 T CB 0.716 69.557 68.868 -0.044 0.000 1.001 302 T HN 0.452 nan 8.240 nan 0.000 0.476 303 P HA 0.517 nan 4.420 nan 0.000 0.280 303 P C -3.038 174.183 177.300 -0.133 0.000 1.272 303 P CA -2.085 60.963 63.100 -0.086 0.000 0.819 303 P CB 0.084 31.747 31.700 -0.063 0.000 1.122 304 P HA 0.056 nan 4.420 nan 0.000 0.266 304 P C -0.286 176.856 177.300 -0.265 0.000 1.195 304 P CA 0.433 63.343 63.100 -0.316 0.000 0.768 304 P CB -0.052 31.309 31.700 -0.565 0.000 0.838 305 T N 5.450 119.847 114.554 -0.262 0.000 2.814 305 T HA 0.240 4.590 4.350 -0.000 0.000 0.297 305 T C -2.110 172.455 174.700 -0.226 0.000 0.956 305 T CA -0.977 60.997 62.100 -0.211 0.000 1.123 305 T CB -0.145 68.596 68.868 -0.211 0.000 0.902 305 T HN 0.277 nan 8.240 nan 0.000 0.528 306 P HA 0.225 nan 4.420 nan 0.000 0.269 306 P C -0.511 176.708 177.300 -0.134 0.000 1.215 306 P CA -0.507 62.509 63.100 -0.140 0.000 0.780 306 P CB 0.303 31.945 31.700 -0.097 0.000 0.898 307 A N 2.417 125.171 122.820 -0.110 0.000 2.592 307 A HA 0.024 4.344 4.320 -0.000 0.000 0.250 307 A C 0.181 177.707 177.584 -0.097 0.000 1.017 307 A CA 0.336 52.315 52.037 -0.096 0.000 0.794 307 A CB -0.849 18.110 19.000 -0.070 0.000 0.917 307 A HN 0.371 nan 8.150 nan 0.000 0.515 308 V N 6.246 126.096 119.914 -0.107 0.000 2.406 308 V HA 0.145 4.265 4.120 -0.000 0.000 0.272 308 V C 1.551 177.606 176.094 -0.064 0.000 1.043 308 V CA -0.543 61.702 62.300 -0.091 0.000 0.915 308 V CB 1.031 32.785 31.823 -0.115 0.000 0.988 308 V HN 1.040 nan 8.190 nan 0.000 0.466 309 R N 3.750 124.220 120.500 -0.050 0.000 2.073 309 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 309 R C 1.331 177.618 176.300 -0.022 0.000 1.134 309 R CA 1.439 57.513 56.100 -0.044 0.000 0.952 309 R CB -0.275 30.000 30.300 -0.041 0.000 0.850 309 R HN 0.729 nan 8.270 nan 0.000 0.433 310 A N 2.027 124.860 122.820 0.022 0.000 3.063 310 A HA 0.256 4.576 4.320 -0.000 0.000 0.263 310 A C -0.429 177.251 177.584 0.161 0.000 1.736 310 A CA 0.094 52.197 52.037 0.110 0.000 1.408 310 A CB -0.071 19.015 19.000 0.143 0.000 1.108 310 A HN 0.081 nan 8.150 nan 0.000 0.621 311 S N 0.497 116.259 115.700 0.103 0.000 2.599 311 S HA 0.570 5.040 4.470 -0.000 0.000 0.287 311 S C -1.045 173.629 174.600 0.122 0.000 1.105 311 S CA -0.589 57.689 58.200 0.130 0.000 0.899 311 S CB 1.284 64.480 63.200 -0.007 0.000 1.100 311 S HN 0.696 nan 8.310 nan 0.000 0.482 312 W N 3.519 124.833 121.300 0.023 0.000 2.314 312 W HA 0.594 5.254 4.660 -0.000 0.000 0.310 312 W C -1.936 174.429 176.519 -0.257 0.000 1.075 312 W CA -0.539 56.761 57.345 -0.074 0.000 1.253 312 W CB 0.646 30.185 29.460 0.131 0.000 1.238 312 W HN 0.343 nan 8.180 nan 0.000 0.440 313 V N 7.559 127.010 119.914 -0.772 0.000 2.459 313 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 313 V C -0.090 175.570 176.094 -0.724 0.000 1.029 313 V CA -0.371 61.450 62.300 -0.799 0.000 0.874 313 V CB 1.363 32.224 31.823 -1.604 0.000 0.985 313 V HN 0.682 nan 8.190 nan 0.000 0.438 314 H N 2.469 121.458 119.070 -0.133 0.000 2.981 314 H HA 0.902 5.458 4.556 -0.000 0.000 0.327 314 H C -1.299 174.256 175.328 0.378 0.000 1.342 314 H CA -1.280 54.792 56.048 0.040 0.000 1.123 314 H CB 2.245 32.060 29.762 0.089 0.000 1.851 314 H HN 0.444 nan 8.280 nan 0.000 0.531 315 K N 1.114 121.617 120.400 0.171 0.000 2.570 315 K HA 0.271 4.591 4.320 -0.000 0.000 0.256 315 K C -1.426 175.273 176.600 0.165 0.000 0.939 315 K CA -0.073 56.269 56.287 0.091 0.000 0.833 315 K CB 2.149 34.686 32.500 0.062 0.000 1.318 315 K HN 0.926 nan 8.250 nan 0.000 0.433 316 T N -0.116 114.549 114.554 0.185 0.000 2.934 316 T HA 0.885 5.234 4.350 -0.000 0.000 0.283 316 T C 0.244 175.040 174.700 0.160 0.000 1.005 316 T CA -0.533 61.721 62.100 0.256 0.000 1.041 316 T CB 1.663 70.588 68.868 0.096 0.000 1.042 316 T HN 0.649 nan 8.240 nan 0.000 0.505 317 G N -0.530 108.369 108.800 0.165 0.000 2.733 317 G HA2 0.739 4.698 3.960 -0.000 0.000 0.297 317 G HA3 0.739 4.698 3.960 -0.000 0.000 0.297 317 G C -1.515 173.472 174.900 0.146 0.000 1.422 317 G CA -0.587 44.612 45.100 0.164 0.000 0.942 317 G HN 1.114 nan 8.290 nan 0.000 0.510 318 A N 0.514 123.417 122.820 0.138 0.000 2.572 318 A HA 0.998 5.318 4.320 -0.000 0.000 0.295 318 A C 0.015 177.683 177.584 0.140 0.000 1.072 318 A CA 0.029 52.150 52.037 0.140 0.000 0.691 318 A CB 1.852 20.901 19.000 0.082 0.000 1.291 318 A HN 1.852 nan 8.150 nan 0.000 0.404 319 T N -2.223 112.451 114.554 0.200 0.000 2.742 319 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 319 T C 1.285 176.099 174.700 0.190 0.000 1.025 319 T CA 0.110 62.312 62.100 0.169 0.000 1.020 319 T CB 0.990 70.005 68.868 0.246 0.000 1.317 319 T HN 1.523 nan 8.240 nan 0.000 0.538 320 G N -0.133 108.764 108.800 0.162 0.000 2.469 320 G HA2 0.117 4.077 3.960 -0.000 0.000 0.219 320 G HA3 0.117 4.077 3.960 -0.000 0.000 0.219 320 G C 1.151 176.149 174.900 0.163 0.000 1.150 320 G CA 0.703 45.885 45.100 0.137 0.000 0.763 320 G HN 1.215 nan 8.290 nan 0.000 0.561 321 G N -1.392 107.553 108.800 0.241 0.000 3.453 321 G HA2 0.492 4.452 3.960 -0.000 0.000 0.263 321 G HA3 0.492 4.452 3.960 -0.000 0.000 0.263 321 G C -0.447 174.457 174.900 0.007 0.000 1.060 321 G CA -0.482 44.679 45.100 0.102 0.000 0.793 321 G HN 0.198 nan 8.290 nan 0.000 0.532 322 F N -0.657 119.422 119.950 0.214 0.000 2.613 322 F HA 0.719 5.246 4.527 -0.000 0.000 0.314 322 F C 0.291 176.224 175.800 0.220 0.000 1.075 322 F CA -1.066 57.097 58.000 0.272 0.000 0.945 322 F CB 2.450 41.633 39.000 0.305 0.000 1.310 322 F HN 0.018 nan 8.300 nan 0.000 0.467 323 G N 0.674 109.747 108.800 0.456 0.000 2.739 323 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 323 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 323 G C -1.604 173.455 174.900 0.265 0.000 1.478 323 G CA -0.728 44.517 45.100 0.242 0.000 1.062 323 G HN 0.737 nan 8.290 nan 0.000 0.532 324 S N 0.817 116.647 115.700 0.217 0.000 2.634 324 S HA 0.875 5.345 4.470 -0.000 0.000 0.296 324 S C -1.378 173.403 174.600 0.303 0.000 1.104 324 S CA -1.027 57.320 58.200 0.245 0.000 0.920 324 S CB 2.497 65.834 63.200 0.229 0.000 1.111 324 S HN 1.095 nan 8.310 nan 0.000 0.493 325 Y N -0.225 120.171 120.300 0.160 0.000 2.521 325 Y HA 0.616 5.166 4.550 -0.000 0.000 0.332 325 Y C -2.012 174.028 175.900 0.233 0.000 1.121 325 Y CA -0.893 57.316 58.100 0.182 0.000 1.037 325 Y CB 1.541 40.108 38.460 0.178 0.000 1.330 325 Y HN 0.775 nan 8.280 nan 0.000 0.452 326 V N 4.072 123.771 119.914 -0.358 0.000 2.760 326 V HA 0.970 5.090 4.120 -0.000 0.000 0.309 326 V C -0.979 174.841 176.094 -0.456 0.000 1.077 326 V CA -0.284 61.917 62.300 -0.165 0.000 0.910 326 V CB 1.584 33.566 31.823 0.266 0.000 1.008 326 V HN 1.030 nan 8.190 nan 0.000 0.424 327 A N 4.581 127.174 122.820 -0.378 0.000 2.520 327 A HA 1.032 5.352 4.320 -0.000 0.000 0.298 327 A C -1.321 175.941 177.584 -0.536 0.000 1.051 327 A CA -0.504 51.145 52.037 -0.647 0.000 0.690 327 A CB 1.762 20.253 19.000 -0.848 0.000 1.281 327 A HN 1.488 nan 8.150 nan 0.000 0.402 328 F N -0.661 118.830 119.950 -0.764 0.000 2.668 328 F HA 0.835 5.362 4.527 -0.000 0.000 0.309 328 F C -1.379 174.055 175.800 -0.611 0.000 1.117 328 F CA -1.264 56.368 58.000 -0.613 0.000 0.951 328 F CB 1.315 40.018 39.000 -0.495 0.000 1.323 328 F HN 0.307 nan 8.300 nan 0.000 0.451 329 I N 2.554 122.940 120.570 -0.308 0.000 2.466 329 I HA 0.315 4.485 4.170 -0.000 0.000 0.279 329 I C -2.098 173.910 176.117 -0.182 0.000 1.033 329 I CA -1.881 59.203 61.300 -0.360 0.000 1.123 329 I CB 1.900 39.527 38.000 -0.621 0.000 1.237 329 I HN 0.383 nan 8.210 nan 0.000 0.460 330 P HA -0.229 nan 4.420 nan 0.000 0.216 330 P C 1.604 178.835 177.300 -0.115 0.000 1.157 330 P CA 1.914 64.970 63.100 -0.072 0.000 0.880 330 P CB 0.298 31.969 31.700 -0.049 0.000 0.791 331 E N 0.291 120.424 120.200 -0.112 0.000 2.333 331 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 331 E C 1.699 178.228 176.600 -0.118 0.000 1.007 331 E CA 1.233 57.578 56.400 -0.092 0.000 0.845 331 E CB -1.084 28.591 29.700 -0.041 0.000 0.766 331 E HN 0.276 nan 8.360 nan 0.000 0.507 332 K N -0.906 119.386 120.400 -0.180 0.000 2.374 332 K HA 0.146 4.466 4.320 -0.000 0.000 0.202 332 K C 0.230 176.709 176.600 -0.202 0.000 1.040 332 K CA 0.498 56.670 56.287 -0.191 0.000 1.085 332 K CB 0.861 33.205 32.500 -0.260 0.000 0.873 332 K HN 0.551 nan 8.250 nan 0.000 0.539 333 E N 1.065 121.154 120.200 -0.184 0.000 2.360 333 E HA -0.231 4.119 4.350 -0.000 0.000 0.238 333 E C -1.206 175.282 176.600 -0.186 0.000 1.186 333 E CA 0.106 56.396 56.400 -0.183 0.000 0.719 333 E CB -0.979 28.612 29.700 -0.183 0.000 1.236 333 E HN 0.076 nan 8.360 nan 0.000 0.386 334 L N 0.096 121.213 121.223 -0.177 0.000 2.386 334 L HA 0.858 5.198 4.340 -0.000 0.000 0.271 334 L C 0.108 176.905 176.870 -0.121 0.000 0.993 334 L CA 0.485 55.244 54.840 -0.136 0.000 0.819 334 L CB 2.010 43.971 42.059 -0.163 0.000 1.294 334 L HN 0.128 nan 8.230 nan 0.000 0.414 335 G N 4.038 112.801 108.800 -0.063 0.000 2.649 335 G HA2 0.643 4.603 3.960 -0.000 0.000 0.290 335 G HA3 0.643 4.603 3.960 -0.000 0.000 0.290 335 G C -2.190 172.710 174.900 -0.000 0.000 1.426 335 G CA -0.456 44.611 45.100 -0.054 0.000 0.794 335 G HN 0.789 nan 8.290 nan 0.000 0.483 336 I N -0.296 120.279 120.570 0.008 0.000 2.775 336 I HA 0.652 4.822 4.170 -0.000 0.000 0.295 336 I C -1.419 174.763 176.117 0.109 0.000 1.287 336 I CA -0.940 60.409 61.300 0.081 0.000 1.029 336 I CB 2.286 40.350 38.000 0.107 0.000 1.282 336 I HN 0.398 nan 8.210 nan 0.000 0.426 337 V N 7.280 127.295 119.914 0.168 0.000 2.588 337 V HA 0.542 4.661 4.120 -0.000 0.000 0.304 337 V C -0.493 175.733 176.094 0.221 0.000 1.042 337 V CA -0.445 61.972 62.300 0.195 0.000 0.877 337 V CB 1.878 33.831 31.823 0.217 0.000 0.996 337 V HN 0.656 nan 8.190 nan 0.000 0.425 338 M N 5.972 125.712 119.600 0.233 0.000 2.093 338 M HA 0.581 5.061 4.480 -0.000 0.000 0.297 338 M C -1.374 175.024 176.300 0.163 0.000 0.938 338 M CA -0.111 55.327 55.300 0.229 0.000 0.920 338 M CB 1.769 34.553 32.600 0.307 0.000 1.517 338 M HN 0.394 nan 8.290 nan 0.000 0.427 339 L N 3.039 124.259 121.223 -0.004 0.000 2.325 339 L HA 0.941 5.281 4.340 -0.000 0.000 0.281 339 L C -0.366 176.355 176.870 -0.249 0.000 1.004 339 L CA -0.686 53.998 54.840 -0.260 0.000 0.823 339 L CB 1.607 43.156 42.059 -0.850 0.000 1.236 339 L HN 0.759 nan 8.230 nan 0.000 0.415 340 A N 2.151 125.085 122.820 0.191 0.000 2.401 340 A HA 0.586 4.906 4.320 -0.000 0.000 0.310 340 A C -0.193 177.758 177.584 0.612 0.000 1.075 340 A CA -0.750 51.535 52.037 0.414 0.000 0.746 340 A CB 1.211 20.435 19.000 0.373 0.000 1.277 340 A HN 0.752 nan 8.150 nan 0.000 0.425 341 N N 1.241 120.244 118.700 0.505 0.000 2.575 341 N HA 0.150 4.890 4.740 -0.000 0.000 0.275 341 N C -0.439 175.061 175.510 -0.017 0.000 1.202 341 N CA -0.074 52.980 53.050 0.007 0.000 0.945 341 N CB 0.189 38.644 38.487 -0.053 0.000 1.247 341 N HN 0.604 nan 8.380 nan 0.000 0.510 342 K N 0.186 120.680 120.400 0.157 0.000 2.543 342 K HA 0.212 4.532 4.320 -0.000 0.000 0.255 342 K C -1.703 175.080 176.600 0.306 0.000 0.934 342 K CA -0.690 55.708 56.287 0.185 0.000 0.810 342 K CB 1.288 33.891 32.500 0.171 0.000 1.315 342 K HN -0.016 nan 8.250 nan 0.000 0.433 343 N N 3.824 122.665 118.700 0.235 0.000 2.415 343 N HA 0.128 4.868 4.740 -0.000 0.000 0.246 343 N C -1.488 174.148 175.510 0.210 0.000 1.078 343 N CA -0.020 53.151 53.050 0.203 0.000 0.942 343 N CB 0.024 38.596 38.487 0.142 0.000 1.140 343 N HN 0.462 nan 8.380 nan 0.000 0.501 344 Y N 1.682 122.026 120.300 0.073 0.000 2.549 344 Y HA 0.750 5.299 4.550 -0.000 0.000 0.339 344 Y C -2.617 173.303 175.900 0.033 0.000 1.053 344 Y CA -3.351 54.775 58.100 0.044 0.000 1.105 344 Y CB -0.325 38.155 38.460 0.033 0.000 1.258 344 Y HN 0.325 nan 8.280 nan 0.000 0.478 345 P HA -0.017 nan 4.420 nan 0.000 0.261 345 P C 0.177 177.368 177.300 -0.182 0.000 1.173 345 P CA 0.406 63.464 63.100 -0.070 0.000 0.760 345 P CB 0.709 32.416 31.700 0.012 0.000 0.783 346 N N 4.719 123.311 118.700 -0.179 0.000 2.094 346 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 346 N C -0.868 174.541 175.510 -0.169 0.000 1.023 346 N CA 1.844 54.771 53.050 -0.205 0.000 0.857 346 N CB -1.851 36.545 38.487 -0.151 0.000 1.013 346 N HN 0.455 nan 8.380 nan 0.000 0.426 347 P HA -0.059 nan 4.420 nan 0.000 0.218 347 P C 1.008 178.287 177.300 -0.036 0.000 1.148 347 P CA 1.397 64.456 63.100 -0.069 0.000 0.822 347 P CB -0.045 31.627 31.700 -0.046 0.000 0.784 348 A N -0.165 122.659 122.820 0.006 0.000 1.969 348 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 348 A C 2.185 179.839 177.584 0.117 0.000 1.169 348 A CA 1.181 53.274 52.037 0.093 0.000 0.635 348 A CB -0.812 18.310 19.000 0.205 0.000 0.810 348 A HN 0.111 nan 8.150 nan 0.000 0.445 349 R N -0.559 119.953 120.500 0.019 0.000 2.066 349 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 349 R C 1.972 178.191 176.300 -0.135 0.000 1.131 349 R CA 1.461 57.549 56.100 -0.020 0.000 0.955 349 R CB -0.695 29.459 30.300 -0.242 0.000 0.851 349 R HN 0.354 nan 8.270 nan 0.000 0.432 350 V N 1.826 121.562 119.914 -0.296 0.000 2.427 350 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 350 V C 1.977 178.154 176.094 0.137 0.000 1.051 350 V CA 2.068 64.260 62.300 -0.179 0.000 1.048 350 V CB -0.577 31.167 31.823 -0.131 0.000 0.666 350 V HN 0.290 nan 8.190 nan 0.000 0.456 351 D N 0.680 121.134 120.400 0.090 0.000 2.104 351 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 351 D C 2.145 178.594 176.300 0.249 0.000 0.994 351 D CA 1.833 55.930 54.000 0.163 0.000 0.830 351 D CB -0.177 40.675 40.800 0.087 0.000 0.959 351 D HN 0.351 nan 8.370 nan 0.000 0.452 352 A N 0.550 123.481 122.820 0.184 0.000 1.877 352 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 352 A C 2.420 180.143 177.584 0.233 0.000 1.186 352 A CA 2.513 54.653 52.037 0.171 0.000 0.620 352 A CB -1.149 17.927 19.000 0.127 0.000 0.822 352 A HN 0.332 nan 8.150 nan 0.000 0.443 353 A N -0.918 122.103 122.820 0.334 0.000 1.902 353 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 353 A C 2.113 180.009 177.584 0.520 0.000 1.181 353 A CA 1.521 53.834 52.037 0.460 0.000 0.623 353 A CB -0.963 18.493 19.000 0.760 0.000 0.818 353 A HN 0.927 nan 8.150 nan 0.000 0.443 354 W N 0.659 122.209 121.300 0.418 0.000 2.355 354 W HA -0.199 4.461 4.660 -0.000 0.000 0.309 354 W C 1.764 178.427 176.519 0.241 0.000 1.206 354 W CA 2.063 59.609 57.345 0.336 0.000 1.284 354 W CB -0.491 29.012 29.460 0.071 0.000 1.145 354 W HN 0.374 nan 8.180 nan 0.000 0.502 355 Q N 0.899 120.694 119.800 -0.009 0.000 2.077 355 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 355 Q C 2.313 178.229 176.000 -0.140 0.000 0.989 355 Q CA 2.357 58.091 55.803 -0.115 0.000 0.853 355 Q CB -1.001 27.779 28.738 0.070 0.000 0.907 355 Q HN 0.515 nan 8.270 nan 0.000 0.418 356 I N 0.132 120.687 120.570 -0.024 0.000 2.163 356 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 356 I C 2.294 178.389 176.117 -0.037 0.000 1.081 356 I CA 0.849 62.136 61.300 -0.022 0.000 1.353 356 I CB -0.306 37.706 38.000 0.021 0.000 1.054 356 I HN 0.110 nan 8.210 nan 0.000 0.407 357 L N 0.323 121.552 121.223 0.011 0.000 2.093 357 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 357 L C 2.392 179.221 176.870 -0.070 0.000 1.085 357 L CA 1.346 56.190 54.840 0.006 0.000 0.755 357 L CB -0.889 41.225 42.059 0.092 0.000 0.904 357 L HN 0.445 nan 8.230 nan 0.000 0.435 358 N N 0.687 119.225 118.700 -0.271 0.000 2.166 358 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 358 N C 1.820 177.238 175.510 -0.154 0.000 1.019 358 N CA 1.282 54.120 53.050 -0.352 0.000 0.856 358 N CB 0.181 38.001 38.487 -1.113 0.000 0.993 358 N HN 0.303 nan 8.380 nan 0.000 0.426 359 A N 0.770 123.500 122.820 -0.149 0.000 2.067 359 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 359 A C 2.043 179.613 177.584 -0.023 0.000 1.158 359 A CA 0.737 52.732 52.037 -0.070 0.000 0.661 359 A CB -0.203 18.755 19.000 -0.071 0.000 0.801 359 A HN 0.337 nan 8.150 nan 0.000 0.452 360 L N -0.680 120.543 121.223 -0.001 0.000 2.556 360 L HA 0.078 4.418 4.340 -0.000 0.000 0.226 360 L C 1.280 178.235 176.870 0.142 0.000 1.089 360 L CA -0.142 54.745 54.840 0.078 0.000 0.864 360 L CB -0.291 41.834 42.059 0.110 0.000 1.067 360 L HN 0.543 nan 8.230 nan 0.000 0.477 361 Q N 0.000 119.846 119.800 0.077 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 361 Q CB 0.000 28.794 28.738 0.094 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481