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 1pi4_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL 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 INGSDAKIAL 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 0.000 177.424 177.584 -0.266 0.000 1.274 4 A CA 0.000 51.879 52.037 -0.264 0.000 0.836 4 A CB 0.000 18.824 19.000 -0.294 0.000 0.831 5 P HA 0.112 nan 4.420 nan 0.000 0.267 5 P C 0.771 177.948 177.300 -0.204 0.000 1.200 5 P CA -0.182 62.760 63.100 -0.263 0.000 0.772 5 P CB 0.618 32.111 31.700 -0.345 0.000 0.855 6 Q N 2.158 121.882 119.800 -0.126 0.000 2.096 6 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 6 Q C 1.785 177.727 176.000 -0.098 0.000 0.982 6 Q CA 1.902 57.655 55.803 -0.083 0.000 0.850 6 Q CB -0.176 28.531 28.738 -0.053 0.000 0.901 6 Q HN 0.553 nan 8.270 nan 0.000 0.422 7 Q N -0.252 119.463 119.800 -0.141 0.000 2.135 7 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 7 Q C 2.191 178.086 176.000 -0.175 0.000 0.981 7 Q CA 1.354 57.068 55.803 -0.149 0.000 0.856 7 Q CB -0.034 28.596 28.738 -0.181 0.000 0.902 7 Q HN 0.494 nan 8.270 nan 0.000 0.425 8 I N 0.654 121.076 120.570 -0.246 0.000 2.233 8 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 8 I C 1.948 178.014 176.117 -0.085 0.000 1.093 8 I CA 0.660 61.837 61.300 -0.205 0.000 1.380 8 I CB -0.424 37.404 38.000 -0.287 0.000 1.067 8 I HN 0.208 nan 8.210 nan 0.000 0.413 9 N N 0.951 119.648 118.700 -0.005 0.000 2.104 9 N HA -0.242 4.498 4.740 -0.000 0.000 0.190 9 N C 1.508 177.042 175.510 0.040 0.000 1.024 9 N CA 1.854 54.958 53.050 0.089 0.000 0.853 9 N CB -0.509 38.034 38.487 0.092 0.000 1.008 9 N HN 0.406 nan 8.380 nan 0.000 0.424 10 D N 0.425 120.832 120.400 0.012 0.000 2.084 10 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 10 D C 1.875 178.188 176.300 0.023 0.000 0.990 10 D CA 0.629 54.651 54.000 0.036 0.000 0.826 10 D CB -0.153 40.651 40.800 0.006 0.000 0.971 10 D HN 0.100 nan 8.370 nan 0.000 0.453 11 I N -0.280 120.273 120.570 -0.028 0.000 2.439 11 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 11 I C 2.020 178.113 176.117 -0.040 0.000 1.139 11 I CA 0.710 61.990 61.300 -0.034 0.000 1.438 11 I CB -0.096 37.872 38.000 -0.053 0.000 1.085 11 I HN -0.006 nan 8.210 nan 0.000 0.427 12 V N 0.091 119.946 119.914 -0.100 0.000 2.307 12 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 12 V C 2.527 178.655 176.094 0.057 0.000 1.045 12 V CA 2.221 64.430 62.300 -0.152 0.000 1.024 12 V CB -1.018 30.431 31.823 -0.624 0.000 0.651 12 V HN 0.536 nan 8.190 nan 0.000 0.449 13 H N 0.602 119.672 119.070 0.001 0.000 2.389 13 H HA -0.061 4.495 4.556 -0.000 0.000 0.299 13 H C 2.407 177.780 175.328 0.075 0.000 1.081 13 H CA 1.780 57.900 56.048 0.120 0.000 1.345 13 H CB -0.083 29.740 29.762 0.102 0.000 1.393 13 H HN 0.254 nan 8.280 nan 0.000 0.520 14 R N -1.118 119.374 120.500 -0.014 0.000 2.148 14 R HA -0.042 4.298 4.340 -0.000 0.000 0.227 14 R C 1.692 177.952 176.300 -0.068 0.000 1.103 14 R CA 1.717 57.763 56.100 -0.089 0.000 0.983 14 R CB 0.191 30.469 30.300 -0.036 0.000 0.874 14 R HN 0.344 nan 8.270 nan 0.000 0.451 15 T N 0.226 114.759 114.554 -0.035 0.000 3.044 15 T HA 0.118 4.468 4.350 -0.000 0.000 0.237 15 T C 1.695 176.351 174.700 -0.073 0.000 1.001 15 T CA 0.284 62.365 62.100 -0.032 0.000 1.160 15 T CB 0.211 69.079 68.868 -0.000 0.000 0.889 15 T HN -0.031 nan 8.240 nan 0.000 0.442 16 I N 2.093 122.605 120.570 -0.097 0.000 2.333 16 I HA -0.046 4.124 4.170 -0.000 0.000 0.246 16 I C 2.565 178.443 176.117 -0.398 0.000 1.106 16 I CA 1.286 62.419 61.300 -0.278 0.000 1.411 16 I CB -1.784 35.959 38.000 -0.428 0.000 1.082 16 I HN 0.243 nan 8.210 nan 0.000 0.420 17 T N 2.201 116.651 114.554 -0.173 0.000 2.720 17 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 17 T C -0.317 174.284 174.700 -0.164 0.000 1.037 17 T CA 1.660 63.693 62.100 -0.113 0.000 1.144 17 T CB -1.263 67.752 68.868 0.244 0.000 0.864 17 T HN 0.236 nan 8.240 nan 0.000 0.444 18 P HA 0.061 nan 4.420 nan 0.000 0.220 18 P C 1.617 178.835 177.300 -0.137 0.000 1.152 18 P CA 0.343 63.373 63.100 -0.117 0.000 0.812 18 P CB -0.141 31.503 31.700 -0.092 0.000 0.792 19 L N -0.448 120.674 121.223 -0.169 0.000 2.042 19 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 19 L C 2.087 178.799 176.870 -0.265 0.000 1.076 19 L CA 1.859 56.586 54.840 -0.188 0.000 0.749 19 L CB -1.158 40.787 42.059 -0.190 0.000 0.893 19 L HN -0.131 nan 8.230 nan 0.000 0.432 20 I N -0.508 119.864 120.570 -0.329 0.000 2.226 20 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 20 I C 2.389 178.387 176.117 -0.198 0.000 1.100 20 I CA 1.055 62.163 61.300 -0.321 0.000 1.374 20 I CB -0.423 37.340 38.000 -0.396 0.000 1.057 20 I HN 0.324 nan 8.210 nan 0.000 0.413 21 E N 0.538 120.649 120.200 -0.148 0.000 2.072 21 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 21 E C 2.169 178.719 176.600 -0.083 0.000 0.985 21 E CA 1.138 57.484 56.400 -0.090 0.000 0.801 21 E CB -0.284 29.379 29.700 -0.061 0.000 0.750 21 E HN 0.592 nan 8.360 nan 0.000 0.452 22 Q N 0.193 119.938 119.800 -0.093 0.000 2.084 22 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 22 Q C 1.857 177.817 176.000 -0.067 0.000 0.978 22 Q CA 1.040 56.802 55.803 -0.068 0.000 0.844 22 Q CB 0.119 28.821 28.738 -0.061 0.000 0.898 22 Q HN 0.161 nan 8.270 nan 0.000 0.426 23 Q N 0.076 119.807 119.800 -0.115 0.000 2.319 23 Q HA 0.081 4.421 4.340 -0.000 0.000 0.202 23 Q C -0.362 175.581 176.000 -0.095 0.000 0.896 23 Q CA 0.158 55.895 55.803 -0.110 0.000 0.942 23 Q CB 0.677 29.269 28.738 -0.244 0.000 1.083 23 Q HN 0.276 nan 8.270 nan 0.000 0.510 24 K N 0.899 121.243 120.400 -0.095 0.000 3.148 24 K HA -0.178 4.142 4.320 -0.000 0.000 0.267 24 K C -0.504 176.053 176.600 -0.073 0.000 0.996 24 K CA 0.267 56.513 56.287 -0.069 0.000 0.737 24 K CB -1.935 30.543 32.500 -0.037 0.000 1.308 24 K HN 0.274 nan 8.250 nan 0.000 0.470 25 I N 0.910 121.408 120.570 -0.121 0.000 2.471 25 I HA 0.011 4.181 4.170 -0.000 0.000 0.286 25 I C -0.942 175.153 176.117 -0.037 0.000 1.079 25 I CA -2.025 59.219 61.300 -0.094 0.000 1.398 25 I CB 0.815 38.691 38.000 -0.207 0.000 1.403 25 I HN 0.006 nan 8.210 nan 0.000 0.530 26 P HA 0.008 nan 4.420 nan 0.000 0.217 26 P C 0.316 177.674 177.300 0.097 0.000 1.151 26 P CA 0.484 63.582 63.100 -0.004 0.000 0.828 26 P CB 0.320 31.925 31.700 -0.159 0.000 0.788 27 G N -1.128 107.784 108.800 0.187 0.000 2.746 27 G HA2 0.644 4.604 3.960 -0.000 0.000 0.297 27 G HA3 0.644 4.604 3.960 -0.000 0.000 0.297 27 G C -1.940 173.200 174.900 0.399 0.000 1.426 27 G CA -0.323 44.957 45.100 0.301 0.000 0.989 27 G HN 0.001 nan 8.290 nan 0.000 0.520 28 M N 1.637 121.502 119.600 0.442 0.000 2.421 28 M HA 0.813 5.293 4.480 -0.000 0.000 0.287 28 M C -1.264 175.358 176.300 0.536 0.000 1.183 28 M CA -0.381 55.147 55.300 0.381 0.000 0.916 28 M CB 2.286 34.953 32.600 0.112 0.000 1.701 28 M HN 1.221 nan 8.290 nan 0.000 0.470 29 A N 3.537 126.538 122.820 0.301 0.000 2.371 29 A HA 0.899 5.219 4.320 -0.000 0.000 0.311 29 A C -1.699 176.095 177.584 0.350 0.000 1.068 29 A CA -0.654 51.606 52.037 0.372 0.000 0.744 29 A CB 1.605 20.765 19.000 0.266 0.000 1.239 29 A HN 0.742 nan 8.150 nan 0.000 0.435 30 V N 0.910 121.152 119.914 0.547 0.000 2.789 30 V HA 0.814 4.934 4.120 -0.000 0.000 0.311 30 V C 0.112 176.534 176.094 0.545 0.000 1.073 30 V CA -0.232 62.369 62.300 0.501 0.000 0.921 30 V CB 1.896 34.054 31.823 0.559 0.000 1.009 30 V HN 1.410 nan 8.190 nan 0.000 0.426 31 A N 3.728 126.787 122.820 0.399 0.000 2.355 31 A HA 0.893 5.213 4.320 -0.000 0.000 0.317 31 A C -1.151 176.577 177.584 0.239 0.000 1.094 31 A CA -0.560 51.651 52.037 0.290 0.000 0.764 31 A CB 1.808 20.935 19.000 0.211 0.000 1.230 31 A HN 0.655 nan 8.150 nan 0.000 0.448 32 V N 3.166 123.232 119.914 0.253 0.000 2.495 32 V HA 0.398 4.518 4.120 -0.000 0.000 0.298 32 V C -0.893 175.308 176.094 0.180 0.000 1.031 32 V CA -0.325 62.114 62.300 0.231 0.000 0.871 32 V CB 1.427 33.426 31.823 0.293 0.000 0.988 32 V HN 0.718 nan 8.190 nan 0.000 0.432 33 I N 5.705 126.344 120.570 0.115 0.000 2.312 33 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 33 I C -0.739 175.479 176.117 0.169 0.000 1.008 33 I CA -0.371 60.965 61.300 0.061 0.000 1.226 33 I CB 0.953 38.927 38.000 -0.043 0.000 1.371 33 I HN 0.585 nan 8.210 nan 0.000 0.468 34 Y N 5.177 125.541 120.300 0.107 0.000 2.373 34 Y HA 0.353 4.903 4.550 0.000 0.000 0.336 34 Y C 0.235 176.184 175.900 0.082 0.000 0.979 34 Y CA -0.866 57.299 58.100 0.108 0.000 1.080 34 Y CB 1.284 39.849 38.460 0.176 0.000 1.190 34 Y HN 0.683 nan 8.280 nan 0.000 0.446 35 Q N 4.547 124.080 119.800 -0.445 0.000 2.434 35 Q HA -0.273 4.067 4.340 -0.000 0.000 0.299 35 Q C 1.113 177.024 176.000 -0.149 0.000 1.286 35 Q CA 1.221 56.822 55.803 -0.337 0.000 0.872 35 Q CB -1.568 26.949 28.738 -0.369 0.000 1.193 35 Q HN 1.391 nan 8.270 nan 0.000 0.466 36 G N -1.135 107.589 108.800 -0.127 0.000 2.212 36 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.266 36 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.266 36 G C 0.040 174.879 174.900 -0.101 0.000 0.978 36 G CA 0.759 45.792 45.100 -0.110 0.000 0.632 36 G HN 0.191 nan 8.290 nan 0.000 0.537 37 K N 1.127 121.478 120.400 -0.081 0.000 2.123 37 K HA 0.581 4.901 4.320 -0.000 0.000 0.259 37 K C -2.618 173.743 176.600 -0.398 0.000 0.960 37 K CA -2.131 54.034 56.287 -0.204 0.000 0.872 37 K CB 2.510 34.893 32.500 -0.195 0.000 1.079 37 K HN 0.211 nan 8.250 nan 0.000 0.440 38 P HA 0.357 nan 4.420 nan 0.000 0.290 38 P C -1.362 175.253 177.300 -1.140 0.000 1.275 38 P CA -0.530 62.167 63.100 -0.672 0.000 0.841 38 P CB 0.725 32.121 31.700 -0.507 0.000 1.042 39 Y N 0.907 120.910 120.300 -0.496 0.000 2.406 39 Y HA 0.451 5.001 4.550 -0.000 0.000 0.340 39 Y C -0.080 175.434 175.900 -0.643 0.000 0.975 39 Y CA -0.458 57.367 58.100 -0.458 0.000 1.056 39 Y CB 1.852 40.234 38.460 -0.130 0.000 1.210 39 Y HN 0.290 nan 8.280 nan 0.000 0.448 40 Y N 2.366 122.492 120.300 -0.291 0.000 2.446 40 Y HA 0.725 5.275 4.550 -0.000 0.000 0.338 40 Y C -1.000 174.439 175.900 -0.768 0.000 1.055 40 Y CA -1.251 56.680 58.100 -0.281 0.000 1.101 40 Y CB 1.639 40.021 38.460 -0.131 0.000 1.221 40 Y HN 0.390 nan 8.280 nan 0.000 0.460 41 F N 0.174 120.226 119.950 0.170 0.000 2.581 41 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 41 F C -0.377 175.320 175.800 -0.171 0.000 1.113 41 F CA -0.918 56.998 58.000 -0.140 0.000 0.935 41 F CB 2.486 41.375 39.000 -0.185 0.000 1.232 41 F HN 0.402 nan 8.300 nan 0.000 0.445 42 T N -1.550 112.835 114.554 -0.282 0.000 2.903 42 T HA 0.672 5.022 4.350 -0.000 0.000 0.299 42 T C -1.580 172.996 174.700 -0.205 0.000 1.093 42 T CA -0.784 61.309 62.100 -0.011 0.000 1.002 42 T CB 1.974 70.891 68.868 0.083 0.000 1.127 42 T HN 0.619 nan 8.240 nan 0.000 0.488 43 W N 0.273 121.651 121.300 0.129 0.000 3.217 43 W HA 0.498 5.158 4.660 -0.000 0.000 0.323 43 W C 0.746 177.271 176.519 0.011 0.000 1.216 43 W CA -0.252 57.127 57.345 0.058 0.000 1.194 43 W CB 1.805 31.303 29.460 0.063 0.000 1.397 43 W HN 1.406 nan 8.180 nan 0.000 0.537 44 G N 1.450 110.308 108.800 0.096 0.000 2.562 44 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.250 44 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.250 44 G C -1.630 173.144 174.900 -0.210 0.000 1.269 44 G CA -0.359 44.652 45.100 -0.148 0.000 0.919 44 G HN 0.549 nan 8.290 nan 0.000 0.574 45 Y N 0.020 120.406 120.300 0.142 0.000 2.393 45 Y HA 0.578 5.128 4.550 -0.000 0.000 0.341 45 Y C 1.327 177.326 175.900 0.164 0.000 0.988 45 Y CA -0.297 57.878 58.100 0.125 0.000 1.078 45 Y CB 2.028 40.527 38.460 0.065 0.000 1.203 45 Y HN 0.826 nan 8.280 nan 0.000 0.453 46 A N 0.945 123.968 122.820 0.339 0.000 1.970 46 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 46 A C 0.266 178.053 177.584 0.338 0.000 1.170 46 A CA 1.368 53.547 52.037 0.238 0.000 0.645 46 A CB 0.045 19.123 19.000 0.130 0.000 0.816 46 A HN 0.671 nan 8.150 nan 0.000 0.447 47 D N -1.055 119.542 120.400 0.329 0.000 2.476 47 D HA 0.395 5.035 4.640 -0.000 0.000 0.251 47 D C 0.628 176.997 176.300 0.114 0.000 1.291 47 D CA -0.462 53.744 54.000 0.343 0.000 0.939 47 D CB 0.761 41.746 40.800 0.308 0.000 1.221 47 D HN 0.137 nan 8.370 nan 0.000 0.567 48 I N 2.292 122.910 120.570 0.080 0.000 2.179 48 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 48 I C 2.469 178.438 176.117 -0.248 0.000 1.088 48 I CA 1.215 62.398 61.300 -0.196 0.000 1.357 48 I CB -0.135 37.693 38.000 -0.286 0.000 1.051 48 I HN 0.445 nan 8.210 nan 0.000 0.409 49 A N 0.988 123.733 122.820 -0.125 0.000 1.883 49 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 49 A C 2.213 179.714 177.584 -0.139 0.000 1.186 49 A CA 1.746 53.705 52.037 -0.131 0.000 0.624 49 A CB -0.462 18.470 19.000 -0.113 0.000 0.822 49 A HN 0.374 nan 8.150 nan 0.000 0.444 50 K N -0.812 119.523 120.400 -0.107 0.000 2.487 50 K HA 0.088 4.408 4.320 -0.000 0.000 0.192 50 K C -0.281 176.232 176.600 -0.145 0.000 1.027 50 K CA 0.237 56.474 56.287 -0.082 0.000 1.054 50 K CB 0.084 32.581 32.500 -0.004 0.000 0.824 50 K HN 0.414 nan 8.250 nan 0.000 0.510 51 K N 1.421 121.614 120.400 -0.343 0.000 3.077 51 K HA -0.215 4.105 4.320 -0.000 0.000 0.264 51 K C -0.384 176.125 176.600 -0.152 0.000 1.008 51 K CA 0.342 56.247 56.287 -0.638 0.000 0.740 51 K CB -1.144 31.107 32.500 -0.415 0.000 1.273 51 K HN 0.144 nan 8.250 nan 0.000 0.477 52 Q N 1.134 120.935 119.800 0.001 0.000 2.314 52 Q HA 0.194 4.534 4.340 -0.000 0.000 0.257 52 Q C -2.312 173.891 176.000 0.338 0.000 0.975 52 Q CA -2.189 53.708 55.803 0.157 0.000 0.933 52 Q CB 0.932 29.749 28.738 0.131 0.000 1.195 52 Q HN 0.048 nan 8.270 nan 0.000 0.426 53 P HA -0.009 nan 4.420 nan 0.000 0.274 53 P C -0.641 176.781 177.300 0.203 0.000 1.231 53 P CA -0.262 63.004 63.100 0.277 0.000 0.790 53 P CB 0.869 32.666 31.700 0.162 0.000 0.951 54 V N 2.837 122.873 119.914 0.203 0.000 2.585 54 V HA 0.191 4.311 4.120 -0.000 0.000 0.296 54 V C 1.270 177.468 176.094 0.173 0.000 1.035 54 V CA 0.808 63.246 62.300 0.230 0.000 1.084 54 V CB 0.303 32.341 31.823 0.359 0.000 0.953 54 V HN 0.880 nan 8.190 nan 0.000 0.483 55 T N 1.219 115.863 114.554 0.151 0.000 2.831 55 T HA 0.312 4.662 4.350 -0.000 0.000 0.287 55 T C 0.550 175.297 174.700 0.079 0.000 1.070 55 T CA -0.558 61.592 62.100 0.082 0.000 1.010 55 T CB 1.644 70.531 68.868 0.031 0.000 1.264 55 T HN 0.434 nan 8.240 nan 0.000 0.532 56 Q N -0.666 119.122 119.800 -0.021 0.000 2.364 56 Q HA -0.046 4.294 4.340 -0.000 0.000 0.207 56 Q C 1.512 177.457 176.000 -0.092 0.000 0.970 56 Q CA 1.117 56.855 55.803 -0.109 0.000 0.888 56 Q CB 0.013 28.593 28.738 -0.263 0.000 0.951 56 Q HN 0.519 nan 8.270 nan 0.000 0.469 57 Q N -0.463 119.294 119.800 -0.072 0.000 2.282 57 Q HA 0.095 4.435 4.340 -0.000 0.000 0.206 57 Q C -0.261 175.722 176.000 -0.028 0.000 0.878 57 Q CA 0.182 55.913 55.803 -0.120 0.000 0.944 57 Q CB 1.158 29.790 28.738 -0.177 0.000 1.100 57 Q HN 0.162 nan 8.270 nan 0.000 0.509 58 T N 1.932 116.520 114.554 0.057 0.000 2.834 58 T HA 0.220 4.570 4.350 -0.000 0.000 0.298 58 T C 0.073 174.824 174.700 0.086 0.000 0.966 58 T CA -0.100 62.028 62.100 0.047 0.000 1.141 58 T CB 0.452 69.341 68.868 0.034 0.000 0.905 58 T HN -0.016 nan 8.240 nan 0.000 0.535 59 L N 4.178 125.412 121.223 0.018 0.000 2.305 59 L HA 0.505 4.845 4.340 -0.000 0.000 0.281 59 L C -0.380 176.495 176.870 0.009 0.000 1.085 59 L CA 0.027 54.894 54.840 0.046 0.000 0.813 59 L CB 0.308 42.316 42.059 -0.085 0.000 1.157 59 L HN 0.534 nan 8.230 nan 0.000 0.436 60 F N 0.592 120.584 119.950 0.070 0.000 2.522 60 F HA 0.408 4.935 4.527 0.000 0.000 0.324 60 F C 0.476 176.075 175.800 -0.336 0.000 1.077 60 F CA -0.899 57.116 58.000 0.025 0.000 0.944 60 F CB 1.358 40.498 39.000 0.232 0.000 1.175 60 F HN 0.406 nan 8.300 nan 0.000 0.468 61 E N 2.991 122.697 120.200 -0.823 0.000 2.324 61 E HA 0.128 4.478 4.350 -0.000 0.000 0.271 61 E C 0.497 177.013 176.600 -0.140 0.000 1.028 61 E CA -0.012 56.064 56.400 -0.540 0.000 0.890 61 E CB 0.798 30.052 29.700 -0.744 0.000 1.004 61 E HN 0.620 nan 8.360 nan 0.000 0.431 62 L N 2.887 124.102 121.223 -0.013 0.000 2.418 62 L HA 0.058 4.398 4.340 -0.000 0.000 0.218 62 L C 1.439 178.398 176.870 0.149 0.000 1.125 62 L CA 0.444 55.345 54.840 0.102 0.000 0.835 62 L CB -0.882 41.236 42.059 0.098 0.000 0.953 62 L HN 0.898 nan 8.230 nan 0.000 0.454 63 G N 1.159 110.047 108.800 0.146 0.000 2.614 63 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.303 63 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.303 63 G C 0.901 175.943 174.900 0.237 0.000 1.270 63 G CA 0.631 45.853 45.100 0.204 0.000 0.988 63 G HN 0.377 nan 8.290 nan 0.000 0.551 64 S N -0.349 115.492 115.700 0.235 0.000 2.537 64 S HA 0.054 4.524 4.470 -0.000 0.000 0.240 64 S C 2.130 176.861 174.600 0.219 0.000 0.981 64 S CA 1.510 59.865 58.200 0.259 0.000 0.948 64 S CB 0.100 63.487 63.200 0.312 0.000 0.759 64 S HN 1.045 nan 8.310 nan 0.000 0.531 65 V N 2.117 122.149 119.914 0.197 0.000 2.720 65 V HA -0.150 3.970 4.120 -0.000 0.000 0.256 65 V C 2.420 178.641 176.094 0.211 0.000 1.082 65 V CA 1.694 64.097 62.300 0.171 0.000 1.101 65 V CB -1.068 30.880 31.823 0.208 0.000 0.693 65 V HN 0.538 nan 8.190 nan 0.000 0.479 66 S N -0.200 115.642 115.700 0.237 0.000 2.400 66 S HA -0.248 4.222 4.470 -0.000 0.000 0.232 66 S C 1.910 176.671 174.600 0.268 0.000 1.025 66 S CA 1.363 59.729 58.200 0.276 0.000 0.993 66 S CB -0.282 63.014 63.200 0.160 0.000 0.808 66 S HN 0.644 nan 8.310 nan 0.000 0.478 67 K N 0.869 121.383 120.400 0.189 0.000 2.209 67 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 67 K C 2.454 179.092 176.600 0.064 0.000 1.048 67 K CA 1.584 57.964 56.287 0.156 0.000 0.940 67 K CB -0.472 32.142 32.500 0.190 0.000 0.729 67 K HN 0.632 nan 8.250 nan 0.000 0.451 68 T N -1.202 113.296 114.554 -0.093 0.000 2.821 68 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 68 T C 1.755 176.467 174.700 0.020 0.000 1.046 68 T CA 0.807 62.667 62.100 -0.401 0.000 1.139 68 T CB -0.378 67.828 68.868 -1.103 0.000 0.871 68 T HN 0.031 nan 8.240 nan 0.000 0.454 69 F N 2.155 122.165 119.950 0.099 0.000 2.146 69 F HA 0.038 4.565 4.527 0.000 0.000 0.298 69 F C 3.022 178.881 175.800 0.098 0.000 1.096 69 F CA 1.356 59.374 58.000 0.030 0.000 1.275 69 F CB -1.109 37.784 39.000 -0.179 0.000 1.008 69 F HN 0.133 nan 8.300 nan 0.000 0.480 70 T N -0.533 114.215 114.554 0.323 0.000 2.746 70 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 70 T C 2.359 177.240 174.700 0.302 0.000 1.039 70 T CA 1.417 63.714 62.100 0.328 0.000 1.142 70 T CB -1.017 68.044 68.868 0.322 0.000 0.866 70 T HN 0.446 nan 8.240 nan 0.000 0.444 71 G N 0.948 109.898 108.800 0.249 0.000 2.421 71 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 71 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 71 G C 1.703 176.758 174.900 0.258 0.000 1.171 71 G CA 0.797 46.042 45.100 0.241 0.000 0.775 71 G HN 0.432 nan 8.290 nan 0.000 0.543 72 V N 0.632 120.706 119.914 0.266 0.000 2.407 72 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 72 V C 2.681 178.888 176.094 0.189 0.000 1.055 72 V CA 1.566 64.028 62.300 0.270 0.000 1.049 72 V CB -0.353 31.720 31.823 0.416 0.000 0.662 72 V HN 0.345 nan 8.190 nan 0.000 0.455 73 L N 1.284 122.592 121.223 0.142 0.000 2.046 73 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 73 L C 2.333 179.209 176.870 0.011 0.000 1.077 73 L CA 2.403 57.248 54.840 0.008 0.000 0.747 73 L CB -1.245 40.736 42.059 -0.130 0.000 0.896 73 L HN 0.266 nan 8.230 nan 0.000 0.432 74 G N -1.099 107.760 108.800 0.098 0.000 2.418 74 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 74 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 74 G C 1.533 176.532 174.900 0.164 0.000 1.158 74 G CA 0.575 45.748 45.100 0.122 0.000 0.771 74 G HN 0.590 nan 8.290 nan 0.000 0.545 75 G N 0.687 109.597 108.800 0.184 0.000 2.440 75 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 75 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 75 G C 1.462 176.413 174.900 0.086 0.000 1.154 75 G CA 1.421 46.606 45.100 0.142 0.000 0.767 75 G HN 0.516 nan 8.290 nan 0.000 0.552 76 D N 0.423 120.861 120.400 0.063 0.000 2.144 76 D HA 0.060 4.700 4.640 -0.000 0.000 0.199 76 D C 2.639 178.939 176.300 0.000 0.000 0.984 76 D CA 1.372 55.388 54.000 0.026 0.000 0.834 76 D CB -0.254 40.552 40.800 0.009 0.000 0.955 76 D HN 0.253 nan 8.370 nan 0.000 0.465 77 A N -0.019 122.790 122.820 -0.018 0.000 1.930 77 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 77 A C 2.290 179.866 177.584 -0.012 0.000 1.175 77 A CA 0.982 52.993 52.037 -0.044 0.000 0.627 77 A CB -0.690 18.247 19.000 -0.105 0.000 0.815 77 A HN 0.378 nan 8.150 nan 0.000 0.443 78 I N -0.237 120.345 120.570 0.020 0.000 2.202 78 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 78 I C 2.946 179.083 176.117 0.034 0.000 1.091 78 I CA 1.068 62.392 61.300 0.040 0.000 1.368 78 I CB -0.330 37.713 38.000 0.072 0.000 1.058 78 I HN 0.330 nan 8.210 nan 0.000 0.410 79 A N 0.724 123.563 122.820 0.033 0.000 1.972 79 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 79 A C 2.311 179.903 177.584 0.014 0.000 1.169 79 A CA 1.419 53.471 52.037 0.025 0.000 0.635 79 A CB -0.568 18.446 19.000 0.024 0.000 0.810 79 A HN 0.344 nan 8.150 nan 0.000 0.446 80 R N -1.447 119.057 120.500 0.006 0.000 2.307 80 R HA 0.131 4.471 4.340 -0.000 0.000 0.199 80 R C 1.326 177.631 176.300 0.007 0.000 1.000 80 R CA 0.536 56.636 56.100 -0.001 0.000 1.023 80 R CB -0.207 30.085 30.300 -0.014 0.000 0.908 80 R HN 0.707 nan 8.270 nan 0.000 0.473 81 G N 1.006 109.816 108.800 0.017 0.000 2.148 81 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 81 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 81 G C 0.525 175.448 174.900 0.037 0.000 0.981 81 G CA 0.561 45.678 45.100 0.028 0.000 0.670 81 G HN 0.450 nan 8.290 nan 0.000 0.528 82 E N -0.582 119.633 120.200 0.025 0.000 2.170 82 E HA 0.249 4.599 4.350 -0.000 0.000 0.191 82 E C 1.523 178.168 176.600 0.075 0.000 0.981 82 E CA 1.144 57.564 56.400 0.034 0.000 0.830 82 E CB 0.178 29.872 29.700 -0.010 0.000 0.775 82 E HN 0.905 nan 8.360 nan 0.000 0.470 83 I N -2.729 117.859 120.570 0.029 0.000 3.095 83 I HA 0.499 4.669 4.170 -0.000 0.000 0.310 83 I C -1.380 174.781 176.117 0.073 0.000 1.196 83 I CA -1.245 60.064 61.300 0.014 0.000 0.985 83 I CB 2.314 40.122 38.000 -0.320 0.000 1.250 83 I HN -0.357 nan 8.210 nan 0.000 0.446 84 K N 2.727 123.213 120.400 0.142 0.000 2.378 84 K HA 0.502 4.822 4.320 -0.000 0.000 0.252 84 K C 0.107 176.779 176.600 0.119 0.000 0.931 84 K CA -0.745 55.616 56.287 0.124 0.000 0.794 84 K CB 2.853 35.435 32.500 0.138 0.000 1.181 84 K HN 0.617 nan 8.250 nan 0.000 0.425 85 L N 1.054 122.326 121.223 0.082 0.000 2.275 85 L HA -0.163 4.177 4.340 -0.000 0.000 0.215 85 L C 1.899 178.794 176.870 0.042 0.000 1.119 85 L CA 1.268 56.136 54.840 0.046 0.000 0.790 85 L CB -0.281 41.761 42.059 -0.028 0.000 0.919 85 L HN 0.692 nan 8.230 nan 0.000 0.443 86 S N -2.715 113.025 115.700 0.066 0.000 2.562 86 S HA 0.013 4.483 4.470 -0.000 0.000 0.221 86 S C 0.560 175.224 174.600 0.107 0.000 0.975 86 S CA -0.230 58.007 58.200 0.061 0.000 0.918 86 S CB -0.300 62.936 63.200 0.059 0.000 0.772 86 S HN 0.219 nan 8.310 nan 0.000 0.531 87 D N 3.902 124.406 120.400 0.173 0.000 2.304 87 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 87 D C -2.393 174.054 176.300 0.245 0.000 1.089 87 D CA -1.701 52.430 54.000 0.219 0.000 0.910 87 D CB 0.913 41.922 40.800 0.348 0.000 1.199 87 D HN 0.173 nan 8.370 nan 0.000 0.426 88 P HA 0.010 nan 4.420 nan 0.000 0.271 88 P C 0.584 178.046 177.300 0.270 0.000 1.218 88 P CA -0.171 63.059 63.100 0.217 0.000 0.780 88 P CB 0.742 32.538 31.700 0.161 0.000 0.901 89 T N 1.250 115.993 114.554 0.315 0.000 2.699 89 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 89 T C 1.624 176.463 174.700 0.232 0.000 1.036 89 T CA 2.174 64.463 62.100 0.316 0.000 1.147 89 T CB -0.926 68.131 68.868 0.315 0.000 0.862 89 T HN 0.519 nan 8.240 nan 0.000 0.446 90 T N 1.360 116.001 114.554 0.145 0.000 3.007 90 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 90 T C 1.815 176.519 174.700 0.006 0.000 1.107 90 T CA 0.853 62.987 62.100 0.057 0.000 1.118 90 T CB -0.122 68.763 68.868 0.027 0.000 0.889 90 T HN 0.450 nan 8.240 nan 0.000 0.506 91 K N 0.403 120.757 120.400 -0.077 0.000 2.147 91 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 91 K C 1.124 177.452 176.600 -0.452 0.000 1.049 91 K CA 1.394 57.480 56.287 -0.336 0.000 0.936 91 K CB -0.108 32.025 32.500 -0.611 0.000 0.722 91 K HN 0.456 nan 8.250 nan 0.000 0.446 92 Y N -2.537 117.801 120.300 0.064 0.000 2.462 92 Y HA 0.100 4.649 4.550 -0.000 0.000 0.261 92 Y C 0.221 176.173 175.900 0.086 0.000 1.146 92 Y CA -0.574 57.548 58.100 0.038 0.000 1.283 92 Y CB 0.567 39.023 38.460 -0.006 0.000 1.090 92 Y HN 0.128 nan 8.280 nan 0.000 0.526 93 W N 3.694 124.984 121.300 -0.017 0.000 2.162 93 W HA 0.368 5.028 4.660 -0.000 0.000 0.292 93 W C -2.364 174.100 176.519 -0.092 0.000 0.998 93 W CA -3.539 53.761 57.345 -0.075 0.000 1.570 93 W CB 0.886 30.255 29.460 -0.151 0.000 1.644 93 W HN -0.158 nan 8.180 nan 0.000 0.360 94 P HA -0.225 nan 4.420 nan 0.000 0.219 94 P C 0.629 177.892 177.300 -0.063 0.000 1.146 94 P CA 1.876 64.990 63.100 0.023 0.000 0.808 94 P CB 0.478 32.195 31.700 0.027 0.000 0.779 95 E N -0.520 119.626 120.200 -0.089 0.000 2.418 95 E HA -0.040 4.310 4.350 -0.000 0.000 0.197 95 E C 0.865 177.191 176.600 -0.456 0.000 1.026 95 E CA 0.120 56.389 56.400 -0.219 0.000 0.862 95 E CB -0.654 28.967 29.700 -0.131 0.000 0.799 95 E HN 0.150 nan 8.360 nan 0.000 0.518 96 L N 1.878 122.693 121.223 -0.680 0.000 2.384 96 L HA 0.102 4.442 4.340 -0.000 0.000 0.258 96 L C 0.746 177.397 176.870 -0.366 0.000 1.266 96 L CA 0.374 54.749 54.840 -0.775 0.000 1.162 96 L CB -0.218 41.175 42.059 -1.110 0.000 1.375 96 L HN 0.026 nan 8.230 nan 0.000 0.420 97 T N -0.448 113.974 114.554 -0.220 0.000 3.086 97 T HA 0.381 4.731 4.350 -0.000 0.000 0.250 97 T C 0.894 175.603 174.700 0.016 0.000 1.074 97 T CA 0.201 62.256 62.100 -0.074 0.000 0.988 97 T CB 0.000 68.830 68.868 -0.064 0.000 0.988 97 T HN 0.520 nan 8.240 nan 0.000 0.530 98 A N 2.594 125.450 122.820 0.060 0.000 2.483 98 A HA 0.341 4.661 4.320 -0.000 0.000 0.238 98 A C 1.636 179.341 177.584 0.201 0.000 1.070 98 A CA -0.225 51.899 52.037 0.145 0.000 0.770 98 A CB 0.329 19.449 19.000 0.200 0.000 1.008 98 A HN 0.610 nan 8.150 nan 0.000 0.497 99 K N 1.384 121.847 120.400 0.105 0.000 2.209 99 K HA -0.214 4.106 4.320 -0.000 0.000 0.204 99 K C 1.394 178.029 176.600 0.058 0.000 1.048 99 K CA 1.523 57.855 56.287 0.074 0.000 0.940 99 K CB -0.092 32.422 32.500 0.024 0.000 0.729 99 K HN 0.807 nan 8.250 nan 0.000 0.451 100 Q N 0.388 120.192 119.800 0.006 0.000 2.437 100 Q HA -0.148 4.192 4.340 -0.000 0.000 0.210 100 Q C 0.787 176.676 176.000 -0.185 0.000 0.972 100 Q CA 1.050 56.761 55.803 -0.153 0.000 0.903 100 Q CB -0.418 28.122 28.738 -0.330 0.000 0.967 100 Q HN 0.581 nan 8.270 nan 0.000 0.486 101 W N 1.854 123.208 121.300 0.090 0.000 3.047 101 W HA 0.165 4.824 4.660 -0.000 0.000 0.250 101 W C 0.083 176.669 176.519 0.110 0.000 1.314 101 W CA -0.557 56.867 57.345 0.132 0.000 1.540 101 W CB 0.184 29.703 29.460 0.099 0.000 1.127 101 W HN -0.019 nan 8.180 nan 0.000 0.679 102 N N 0.688 119.518 118.700 0.216 0.000 2.475 102 N HA 0.251 4.991 4.740 -0.000 0.000 0.267 102 N C 1.104 176.702 175.510 0.146 0.000 1.169 102 N CA 1.443 54.593 53.050 0.167 0.000 0.947 102 N CB 0.932 39.484 38.487 0.109 0.000 1.061 102 N HN 0.222 nan 8.380 nan 0.000 0.466 103 G N 1.613 110.521 108.800 0.180 0.000 2.213 103 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.236 103 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.236 103 G C 0.077 175.150 174.900 0.288 0.000 0.991 103 G CA -0.429 44.787 45.100 0.194 0.000 0.629 103 G HN 0.537 nan 8.290 nan 0.000 0.517 104 I N 3.035 123.798 120.570 0.321 0.000 2.312 104 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 104 I C 1.120 177.534 176.117 0.496 0.000 1.031 104 I CA 0.091 61.668 61.300 0.461 0.000 1.293 104 I CB 1.261 39.470 38.000 0.349 0.000 1.403 104 I HN 0.305 nan 8.210 nan 0.000 0.484 105 T N 2.966 117.823 114.554 0.505 0.000 2.923 105 T HA 0.459 4.809 4.350 -0.000 0.000 0.281 105 T C 1.211 176.024 174.700 0.187 0.000 0.995 105 T CA -0.880 61.353 62.100 0.223 0.000 0.985 105 T CB 1.458 70.324 68.868 -0.004 0.000 1.114 105 T HN 0.412 nan 8.240 nan 0.000 0.548 106 L N 0.278 121.607 121.223 0.175 0.000 2.127 106 L HA -0.031 4.309 4.340 -0.000 0.000 0.211 106 L C 2.545 179.407 176.870 -0.012 0.000 1.089 106 L CA 0.909 55.859 54.840 0.184 0.000 0.757 106 L CB -0.795 41.400 42.059 0.225 0.000 0.899 106 L HN 0.602 nan 8.230 nan 0.000 0.434 107 L N -0.502 120.654 121.223 -0.112 0.000 2.012 107 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 107 L C 2.726 179.532 176.870 -0.107 0.000 1.073 107 L CA 1.930 56.638 54.840 -0.221 0.000 0.748 107 L CB -0.792 41.148 42.059 -0.198 0.000 0.891 107 L HN 0.248 nan 8.230 nan 0.000 0.431 108 H N -0.263 118.867 119.070 0.100 0.000 2.319 108 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 108 H C 2.380 177.705 175.328 -0.004 0.000 1.092 108 H CA 2.062 58.164 56.048 0.089 0.000 1.302 108 H CB -0.574 29.266 29.762 0.130 0.000 1.373 108 H HN 0.378 nan 8.280 nan 0.000 0.497 109 L N 0.105 121.410 121.223 0.138 0.000 2.017 109 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 109 L C 2.851 179.635 176.870 -0.144 0.000 1.073 109 L CA 1.050 55.935 54.840 0.074 0.000 0.745 109 L CB -0.601 41.569 42.059 0.186 0.000 0.894 109 L HN 0.213 nan 8.230 nan 0.000 0.432 110 A N -0.247 122.313 122.820 -0.434 0.000 2.019 110 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 110 A C 2.070 179.228 177.584 -0.709 0.000 1.164 110 A CA 2.035 53.571 52.037 -0.834 0.000 0.644 110 A CB -0.673 17.410 19.000 -1.529 0.000 0.805 110 A HN 0.532 nan 8.150 nan 0.000 0.449 111 T N -6.402 107.847 114.554 -0.508 0.000 3.132 111 T HA 0.335 4.685 4.350 -0.000 0.000 0.274 111 T C 0.262 174.735 174.700 -0.378 0.000 1.011 111 T CA 0.229 62.059 62.100 -0.450 0.000 0.899 111 T CB -0.781 68.123 68.868 0.059 0.000 1.089 111 T HN 0.699 nan 8.240 nan 0.000 0.543 112 Y N 0.893 121.178 120.300 -0.024 0.000 4.272 112 Y HA -0.277 4.273 4.550 0.000 0.000 0.232 112 Y C 1.172 177.033 175.900 -0.065 0.000 1.149 112 Y CA 0.536 58.620 58.100 -0.025 0.000 1.961 112 Y CB -2.951 35.510 38.460 0.002 0.000 1.611 112 Y HN 0.590 nan 8.280 nan 0.000 0.682 113 T N -4.228 110.315 114.554 -0.018 0.000 3.182 113 T HA 0.657 5.007 4.350 -0.000 0.000 0.277 113 T C 1.343 175.998 174.700 -0.075 0.000 1.013 113 T CA 0.144 62.149 62.100 -0.158 0.000 0.900 113 T CB 0.799 69.325 68.868 -0.570 0.000 1.098 113 T HN 0.484 nan 8.240 nan 0.000 0.543 114 A N 1.304 124.151 122.820 0.044 0.000 2.119 114 A HA 0.571 4.891 4.320 -0.000 0.000 0.217 114 A C 1.865 179.518 177.584 0.113 0.000 1.153 114 A CA 0.592 52.647 52.037 0.029 0.000 0.692 114 A CB -0.814 18.212 19.000 0.043 0.000 0.799 114 A HN 1.484 nan 8.150 nan 0.000 0.458 115 G N -3.066 105.873 108.800 0.231 0.000 2.247 115 G HA2 0.396 4.356 3.960 -0.000 0.000 0.111 115 G HA3 0.396 4.356 3.960 -0.000 0.000 0.111 115 G C 0.991 176.198 174.900 0.512 0.000 1.045 115 G CA 0.359 45.693 45.100 0.390 0.000 0.715 115 G HN 1.973 nan 8.290 nan 0.000 0.485 116 G N -0.969 108.161 108.800 0.550 0.000 2.135 116 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.183 116 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.183 116 G C 0.494 175.664 174.900 0.450 0.000 1.004 116 G CA 0.003 45.371 45.100 0.447 0.000 0.677 116 G HN 1.272 nan 8.290 nan 0.000 0.512 117 L N 2.034 123.388 121.223 0.218 0.000 2.543 117 L HA 0.227 4.567 4.340 -0.000 0.000 0.285 117 L C -0.790 176.160 176.870 0.133 0.000 1.236 117 L CA -1.043 53.724 54.840 -0.122 0.000 0.871 117 L CB 0.328 42.248 42.059 -0.232 0.000 1.121 117 L HN 0.111 nan 8.230 nan 0.000 0.501 118 P HA -0.031 nan 4.420 nan 0.000 0.275 118 P C 0.530 177.899 177.300 0.115 0.000 1.228 118 P CA -0.546 62.661 63.100 0.178 0.000 0.786 118 P CB 1.190 33.021 31.700 0.218 0.000 0.927 119 L N 1.401 122.685 121.223 0.100 0.000 2.021 119 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 119 L C 0.872 177.769 176.870 0.045 0.000 1.074 119 L CA 2.083 56.964 54.840 0.068 0.000 0.760 119 L CB -0.722 41.391 42.059 0.090 0.000 0.889 119 L HN 0.401 nan 8.230 nan 0.000 0.433 120 Q N -0.557 119.265 119.800 0.038 0.000 2.342 120 Q HA 0.395 4.735 4.340 -0.000 0.000 0.267 120 Q C -0.778 175.186 176.000 -0.061 0.000 1.038 120 Q CA -0.858 54.948 55.803 0.006 0.000 0.832 120 Q CB 2.069 30.803 28.738 -0.006 0.000 1.323 120 Q HN -0.052 nan 8.270 nan 0.000 0.448 121 V N 3.379 123.226 119.914 -0.112 0.000 2.637 121 V HA 0.118 4.238 4.120 -0.000 0.000 0.296 121 V C -1.933 173.972 176.094 -0.315 0.000 1.046 121 V CA -1.072 61.011 62.300 -0.361 0.000 1.066 121 V CB 0.367 32.008 31.823 -0.303 0.000 0.968 121 V HN 0.608 nan 8.190 nan 0.000 0.483 122 P HA 0.035 nan 4.420 nan 0.000 0.266 122 P C 0.211 177.417 177.300 -0.156 0.000 1.193 122 P CA -0.028 62.935 63.100 -0.228 0.000 0.770 122 P CB 0.424 31.995 31.700 -0.215 0.000 0.836 123 D N 1.852 122.206 120.400 -0.078 0.000 2.149 123 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 123 D C 1.191 177.470 176.300 -0.036 0.000 1.001 123 D CA 1.688 55.663 54.000 -0.042 0.000 0.849 123 D CB -0.432 40.357 40.800 -0.018 0.000 0.939 123 D HN 0.513 nan 8.370 nan 0.000 0.449 124 E N -0.041 120.137 120.200 -0.037 0.000 2.427 124 E HA 0.055 4.405 4.350 -0.000 0.000 0.196 124 E C 0.117 176.702 176.600 -0.024 0.000 1.028 124 E CA -0.039 56.350 56.400 -0.019 0.000 0.864 124 E CB 0.273 29.970 29.700 -0.005 0.000 0.813 124 E HN 0.060 nan 8.360 nan 0.000 0.514 125 V N 1.909 121.786 119.914 -0.062 0.000 2.479 125 V HA 0.017 4.137 4.120 -0.000 0.000 0.281 125 V C 1.107 177.181 176.094 -0.033 0.000 1.031 125 V CA 0.670 62.935 62.300 -0.058 0.000 1.038 125 V CB 1.160 32.884 31.823 -0.165 0.000 0.981 125 V HN 0.153 nan 8.190 nan 0.000 0.478 126 K N 3.228 123.627 120.400 -0.001 0.000 2.625 126 K HA 0.144 4.464 4.320 -0.000 0.000 0.202 126 K C 1.108 177.717 176.600 0.014 0.000 1.412 126 K CA 0.463 56.752 56.287 0.003 0.000 0.989 126 K CB 0.687 33.191 32.500 0.007 0.000 1.682 126 K HN 0.707 nan 8.250 nan 0.000 0.496 127 S N 0.069 115.787 115.700 0.029 0.000 2.624 127 S HA 0.137 4.607 4.470 -0.000 0.000 0.263 127 S C 0.951 175.590 174.600 0.064 0.000 1.287 127 S CA -0.212 58.011 58.200 0.038 0.000 0.990 127 S CB 1.572 64.796 63.200 0.041 0.000 0.950 127 S HN 0.234 nan 8.310 nan 0.000 0.561 128 S N 1.003 116.739 115.700 0.061 0.000 2.383 128 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 128 S C 2.129 176.831 174.600 0.170 0.000 1.030 128 S CA 1.456 59.713 58.200 0.095 0.000 1.002 128 S CB -0.768 62.468 63.200 0.060 0.000 0.829 128 S HN 0.814 nan 8.310 nan 0.000 0.467 129 S N 1.322 117.099 115.700 0.128 0.000 2.356 129 S HA -0.160 4.309 4.470 -0.000 0.000 0.223 129 S C 1.503 176.190 174.600 0.144 0.000 1.032 129 S CA 1.449 59.727 58.200 0.131 0.000 1.005 129 S CB -0.540 62.712 63.200 0.087 0.000 0.867 129 S HN 0.405 nan 8.310 nan 0.000 0.449 130 D N 1.243 121.717 120.400 0.122 0.000 2.123 130 D HA -0.065 4.575 4.640 -0.000 0.000 0.196 130 D C 1.965 178.381 176.300 0.193 0.000 0.992 130 D CA 0.948 55.022 54.000 0.124 0.000 0.833 130 D CB -0.445 40.402 40.800 0.079 0.000 0.954 130 D HN 0.385 nan 8.370 nan 0.000 0.455 131 L N 0.088 121.454 121.223 0.237 0.000 2.056 131 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 131 L C 2.397 179.599 176.870 0.554 0.000 1.078 131 L CA 0.424 55.498 54.840 0.391 0.000 0.749 131 L CB -0.296 42.005 42.059 0.402 0.000 0.901 131 L HN 0.073 nan 8.230 nan 0.000 0.433 132 L N 0.062 121.575 121.223 0.483 0.000 2.012 132 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 132 L C 2.665 179.599 176.870 0.107 0.000 1.073 132 L CA 1.799 56.790 54.840 0.251 0.000 0.748 132 L CB -0.460 41.699 42.059 0.167 0.000 0.891 132 L HN 0.084 nan 8.230 nan 0.000 0.431 133 R N -1.605 118.979 120.500 0.141 0.000 2.096 133 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 133 R C 2.195 178.573 176.300 0.131 0.000 1.127 133 R CA 1.688 57.851 56.100 0.105 0.000 0.968 133 R CB -0.693 29.670 30.300 0.105 0.000 0.861 133 R HN 0.429 nan 8.270 nan 0.000 0.440 134 F N 0.422 120.400 119.950 0.046 0.000 2.075 134 F HA -0.234 4.293 4.527 -0.000 0.000 0.297 134 F C 1.608 177.434 175.800 0.044 0.000 1.113 134 F CA 1.398 59.386 58.000 -0.020 0.000 1.218 134 F CB -0.475 38.423 39.000 -0.170 0.000 0.984 134 F HN -0.078 nan 8.300 nan 0.000 0.472 135 Y N 0.460 120.716 120.300 -0.073 0.000 2.242 135 Y HA -0.158 4.392 4.550 0.000 0.000 0.291 135 Y C 2.612 178.607 175.900 0.158 0.000 1.137 135 Y CA 1.443 59.521 58.100 -0.037 0.000 1.181 135 Y CB -0.907 37.524 38.460 -0.048 0.000 0.989 135 Y HN 0.134 nan 8.280 nan 0.000 0.527 136 Q N -0.056 119.814 119.800 0.116 0.000 2.170 136 Q HA -0.141 4.199 4.340 -0.000 0.000 0.203 136 Q C 1.213 177.307 176.000 0.155 0.000 0.976 136 Q CA 1.033 56.904 55.803 0.112 0.000 0.858 136 Q CB -0.241 28.482 28.738 -0.026 0.000 0.907 136 Q HN 0.528 nan 8.270 nan 0.000 0.433 137 N N -0.816 117.936 118.700 0.087 0.000 2.373 137 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 137 N C -0.034 175.487 175.510 0.018 0.000 1.082 137 N CA -0.063 53.011 53.050 0.039 0.000 0.885 137 N CB 0.046 38.549 38.487 0.026 0.000 0.977 137 N HN 0.218 nan 8.380 nan 0.000 0.462 138 W N 3.146 124.339 121.300 -0.178 0.000 2.251 138 W HA 0.116 4.776 4.660 -0.000 0.000 0.327 138 W C -0.414 176.004 176.519 -0.169 0.000 1.361 138 W CA 0.091 57.295 57.345 -0.236 0.000 1.234 138 W CB 0.571 29.832 29.460 -0.332 0.000 1.212 138 W HN -0.117 nan 8.180 nan 0.000 0.557 139 Q N 8.144 127.347 119.800 -0.995 0.000 2.333 139 Q HA 0.349 4.689 4.340 -0.000 0.000 0.267 139 Q C -2.056 173.030 176.000 -1.524 0.000 1.012 139 Q CA -2.027 53.141 55.803 -1.058 0.000 0.824 139 Q CB 1.513 29.925 28.738 -0.543 0.000 1.290 139 Q HN 0.414 nan 8.270 nan 0.000 0.449 140 P HA 0.109 nan 4.420 nan 0.000 0.272 140 P C -0.361 176.537 177.300 -0.670 0.000 1.223 140 P CA 0.033 62.492 63.100 -1.069 0.000 0.784 140 P CB 0.997 32.244 31.700 -0.754 0.000 0.923 141 A N 2.114 124.543 122.820 -0.652 0.000 2.030 141 A HA 0.164 4.484 4.320 -0.000 0.000 0.215 141 A C 0.388 177.263 177.584 -1.181 0.000 1.164 141 A CA 0.542 51.955 52.037 -1.040 0.000 0.697 141 A CB -0.152 17.842 19.000 -1.677 0.000 0.827 141 A HN 0.598 nan 8.150 nan 0.000 0.457 142 W N -2.836 118.416 121.300 -0.079 0.000 3.042 142 W HA 0.632 5.292 4.660 -0.000 0.000 0.342 142 W C -0.022 176.441 176.519 -0.093 0.000 1.240 142 W CA -1.203 56.099 57.345 -0.073 0.000 1.166 142 W CB 0.926 30.357 29.460 -0.048 0.000 1.469 142 W HN 0.124 nan 8.180 nan 0.000 0.579 143 A N 1.964 124.872 122.820 0.146 0.000 2.346 143 A HA 0.587 4.907 4.320 -0.000 0.000 0.252 143 A C -2.308 175.281 177.584 0.008 0.000 1.089 143 A CA -0.867 51.192 52.037 0.037 0.000 0.797 143 A CB -0.707 18.314 19.000 0.034 0.000 1.047 143 A HN 0.146 nan 8.150 nan 0.000 0.494 144 P HA 0.305 nan 4.420 nan 0.000 0.268 144 P C 0.732 177.866 177.300 -0.277 0.000 1.204 144 P CA 1.729 64.645 63.100 -0.306 0.000 0.768 144 P CB 0.644 32.132 31.700 -0.352 0.000 0.842 145 G N 2.089 110.660 108.800 -0.382 0.000 2.176 145 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 145 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 145 G C 0.661 175.501 174.900 -0.100 0.000 1.024 145 G CA 0.677 45.727 45.100 -0.084 0.000 0.755 145 G HN 0.648 nan 8.290 nan 0.000 0.507 146 T N -5.063 109.393 114.554 -0.163 0.000 2.989 146 T HA 0.444 4.794 4.350 -0.000 0.000 0.250 146 T C 0.522 175.077 174.700 -0.241 0.000 0.981 146 T CA 0.786 62.814 62.100 -0.120 0.000 0.980 146 T CB 0.667 69.511 68.868 -0.040 0.000 1.133 146 T HN 0.298 nan 8.240 nan 0.000 0.489 147 Q N 0.944 120.556 119.800 -0.313 0.000 2.331 147 Q HA 0.467 4.807 4.340 -0.000 0.000 0.272 147 Q C -1.408 174.397 176.000 -0.325 0.000 1.062 147 Q CA -0.505 55.036 55.803 -0.437 0.000 0.806 147 Q CB 3.165 31.357 28.738 -0.910 0.000 1.312 147 Q HN 0.375 nan 8.270 nan 0.000 0.431 148 R N 2.260 122.596 120.500 -0.273 0.000 2.229 148 R HA 0.514 4.854 4.340 -0.000 0.000 0.328 148 R C -1.178 175.098 176.300 -0.040 0.000 1.009 148 R CA -0.535 55.492 56.100 -0.123 0.000 0.864 148 R CB 0.436 30.698 30.300 -0.063 0.000 1.085 148 R HN 0.459 nan 8.270 nan 0.000 0.453 149 L N 6.125 127.397 121.223 0.081 0.000 2.415 149 L HA 0.264 4.604 4.340 -0.000 0.000 0.268 149 L C -1.340 175.580 176.870 0.084 0.000 0.984 149 L CA -0.728 54.183 54.840 0.119 0.000 0.853 149 L CB 0.985 43.201 42.059 0.262 0.000 1.215 149 L HN 0.611 nan 8.230 nan 0.000 0.419 150 Y N 4.841 125.020 120.300 -0.202 0.000 2.810 150 Y HA 0.359 4.909 4.550 -0.000 0.000 0.332 150 Y C 0.043 175.768 175.900 -0.293 0.000 1.243 150 Y CA 0.975 58.722 58.100 -0.588 0.000 1.537 150 Y CB 0.480 38.658 38.460 -0.469 0.000 1.265 150 Y HN 0.836 nan 8.280 nan 0.000 0.572 151 A N 5.503 127.863 122.820 -0.766 0.000 2.512 151 A HA 0.274 4.594 4.320 -0.000 0.000 0.294 151 A C -0.162 177.309 177.584 -0.189 0.000 1.054 151 A CA -0.885 50.996 52.037 -0.261 0.000 0.756 151 A CB 0.759 19.769 19.000 0.017 0.000 1.293 151 A HN 0.778 nan 8.150 nan 0.000 0.395 152 N N 1.104 119.741 118.700 -0.105 0.000 2.244 152 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 152 N C 1.978 177.540 175.510 0.086 0.000 1.016 152 N CA 1.943 55.007 53.050 0.023 0.000 0.866 152 N CB -0.077 38.483 38.487 0.122 0.000 0.980 152 N HN 0.844 nan 8.380 nan 0.000 0.430 153 S N -1.251 114.517 115.700 0.114 0.000 2.515 153 S HA 0.060 4.530 4.470 -0.000 0.000 0.231 153 S C 1.969 176.733 174.600 0.275 0.000 0.987 153 S CA 0.814 59.149 58.200 0.225 0.000 0.936 153 S CB 0.050 63.397 63.200 0.245 0.000 0.766 153 S HN 0.186 nan 8.310 nan 0.000 0.528 154 S N 1.170 116.981 115.700 0.185 0.000 2.357 154 S HA 0.271 4.741 4.470 -0.000 0.000 0.209 154 S C 1.606 176.288 174.600 0.138 0.000 1.023 154 S CA 0.367 58.667 58.200 0.168 0.000 0.933 154 S CB -0.552 62.764 63.200 0.194 0.000 0.897 154 S HN 0.546 nan 8.310 nan 0.000 0.529 155 I N 1.349 121.999 120.570 0.133 0.000 2.493 155 I HA -0.006 4.164 4.170 -0.000 0.000 0.254 155 I C 2.084 178.272 176.117 0.117 0.000 1.160 155 I CA 1.154 62.518 61.300 0.107 0.000 1.445 155 I CB -0.569 37.473 38.000 0.070 0.000 1.086 155 I HN 0.491 nan 8.210 nan 0.000 0.433 156 G N 0.974 109.810 108.800 0.061 0.000 2.418 156 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 156 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 156 G C 1.529 176.378 174.900 -0.085 0.000 1.158 156 G CA 0.790 45.859 45.100 -0.051 0.000 0.771 156 G HN 0.381 nan 8.290 nan 0.000 0.545 157 L N -0.237 120.986 121.223 -0.001 0.000 2.056 157 L HA 0.142 4.482 4.340 -0.000 0.000 0.207 157 L C 2.423 179.238 176.870 -0.093 0.000 1.078 157 L CA 1.460 56.236 54.840 -0.106 0.000 0.749 157 L CB -0.719 41.228 42.059 -0.186 0.000 0.901 157 L HN 0.224 nan 8.230 nan 0.000 0.433 158 F N 0.463 120.344 119.950 -0.115 0.000 2.091 158 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 158 F C 2.170 177.903 175.800 -0.112 0.000 1.103 158 F CA 1.841 59.776 58.000 -0.109 0.000 1.228 158 F CB -1.066 37.880 39.000 -0.091 0.000 0.984 158 F HN 0.118 nan 8.300 nan 0.000 0.477 159 G N -0.380 108.275 108.800 -0.243 0.000 2.418 159 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.217 159 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.217 159 G C 1.825 176.569 174.900 -0.261 0.000 1.158 159 G CA 0.923 45.865 45.100 -0.264 0.000 0.771 159 G HN 0.663 nan 8.290 nan 0.000 0.545 160 A N 0.459 123.072 122.820 -0.346 0.000 1.902 160 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 160 A C 2.411 179.815 177.584 -0.300 0.000 1.181 160 A CA 1.232 53.083 52.037 -0.310 0.000 0.623 160 A CB -0.326 18.453 19.000 -0.368 0.000 0.818 160 A HN 0.360 nan 8.150 nan 0.000 0.443 161 L N -1.091 119.924 121.223 -0.346 0.000 2.179 161 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 161 L C 2.970 179.616 176.870 -0.374 0.000 1.096 161 L CA 0.738 55.391 54.840 -0.312 0.000 0.779 161 L CB -0.540 41.385 42.059 -0.225 0.000 0.922 161 L HN 0.408 nan 8.230 nan 0.000 0.443 162 A N 0.410 122.911 122.820 -0.531 0.000 2.019 162 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 162 A C 2.143 179.525 177.584 -0.337 0.000 1.164 162 A CA 1.829 53.520 52.037 -0.575 0.000 0.644 162 A CB -0.662 17.829 19.000 -0.849 0.000 0.805 162 A HN 0.347 nan 8.150 nan 0.000 0.449 163 V N -4.070 115.704 119.914 -0.233 0.000 3.608 163 V HA 0.083 4.203 4.120 -0.000 0.000 0.269 163 V C 1.667 177.690 176.094 -0.119 0.000 1.245 163 V CA 0.859 63.065 62.300 -0.157 0.000 1.138 163 V CB -0.379 31.376 31.823 -0.113 0.000 0.841 163 V HN 0.226 nan 8.190 nan 0.000 0.451 164 K N 1.507 121.837 120.400 -0.116 0.000 2.063 164 K HA -0.037 4.283 4.320 -0.000 0.000 0.208 164 K C 0.222 176.810 176.600 -0.019 0.000 1.048 164 K CA 1.910 58.159 56.287 -0.063 0.000 0.928 164 K CB -1.792 30.683 32.500 -0.040 0.000 0.713 164 K HN 0.467 nan 8.250 nan 0.000 0.442 165 P HA -0.116 nan 4.420 nan 0.000 0.218 165 P C 1.458 178.753 177.300 -0.009 0.000 1.148 165 P CA 1.527 64.646 63.100 0.031 0.000 0.822 165 P CB -0.068 31.673 31.700 0.069 0.000 0.784 166 S N -1.652 114.025 115.700 -0.039 0.000 2.447 166 S HA 0.048 4.518 4.470 -0.000 0.000 0.233 166 S C 1.914 176.485 174.600 -0.048 0.000 1.006 166 S CA 1.056 59.226 58.200 -0.050 0.000 0.957 166 S CB -1.454 61.699 63.200 -0.079 0.000 0.773 166 S HN 0.299 nan 8.310 nan 0.000 0.507 167 G N 0.696 109.468 108.800 -0.046 0.000 2.205 167 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.261 167 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.261 167 G C 0.020 174.887 174.900 -0.054 0.000 0.980 167 G CA 0.473 45.547 45.100 -0.043 0.000 0.632 167 G HN 0.573 nan 8.290 nan 0.000 0.533 168 L N 1.737 122.918 121.223 -0.070 0.000 2.418 168 L HA 0.558 4.898 4.340 -0.000 0.000 0.265 168 L C 1.540 178.363 176.870 -0.078 0.000 1.143 168 L CA -0.186 54.606 54.840 -0.080 0.000 0.809 168 L CB 1.224 43.218 42.059 -0.109 0.000 1.124 168 L HN 0.414 nan 8.230 nan 0.000 0.456 169 S N 0.472 116.131 115.700 -0.068 0.000 2.589 169 S HA 0.029 4.499 4.470 -0.000 0.000 0.265 169 S C 0.826 175.393 174.600 -0.054 0.000 1.342 169 S CA -0.372 57.802 58.200 -0.043 0.000 1.005 169 S CB 0.456 63.638 63.200 -0.030 0.000 0.909 169 S HN 0.545 nan 8.310 nan 0.000 0.555 170 F N 1.174 121.033 119.950 -0.152 0.000 2.126 170 F HA -0.085 4.441 4.527 -0.000 0.000 0.299 170 F C 2.485 178.171 175.800 -0.190 0.000 1.096 170 F CA 2.196 60.088 58.000 -0.179 0.000 1.255 170 F CB -0.390 38.502 39.000 -0.180 0.000 0.997 170 F HN 0.937 nan 8.300 nan 0.000 0.479 171 E N -0.597 119.570 120.200 -0.057 0.000 2.072 171 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 171 E C 2.123 178.569 176.600 -0.256 0.000 0.985 171 E CA 1.223 57.532 56.400 -0.153 0.000 0.801 171 E CB -0.097 29.599 29.700 -0.006 0.000 0.750 171 E HN 0.386 nan 8.360 nan 0.000 0.452 172 Q N -0.044 119.646 119.800 -0.184 0.000 2.167 172 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 172 Q C 2.058 177.904 176.000 -0.258 0.000 0.970 172 Q CA 1.278 56.973 55.803 -0.181 0.000 0.855 172 Q CB -0.278 28.393 28.738 -0.112 0.000 0.911 172 Q HN 0.384 nan 8.270 nan 0.000 0.438 173 A N 0.596 123.229 122.820 -0.313 0.000 1.873 173 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 173 A C 2.151 179.445 177.584 -0.484 0.000 1.186 173 A CA 1.749 53.575 52.037 -0.352 0.000 0.616 173 A CB -0.443 18.339 19.000 -0.363 0.000 0.823 173 A HN 0.326 nan 8.150 nan 0.000 0.442 174 M N -0.290 118.882 119.600 -0.713 0.000 2.086 174 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 174 M C 2.249 177.952 176.300 -0.995 0.000 1.067 174 M CA 2.369 57.109 55.300 -0.934 0.000 1.116 174 M CB -0.522 31.362 32.600 -1.194 0.000 1.348 174 M HN 0.592 nan 8.290 nan 0.000 0.407 175 Q N -1.061 118.282 119.800 -0.762 0.000 2.046 175 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 175 Q C 1.695 177.514 176.000 -0.302 0.000 0.975 175 Q CA 2.426 57.930 55.803 -0.498 0.000 0.836 175 Q CB -0.238 28.324 28.738 -0.293 0.000 0.896 175 Q HN 0.723 nan 8.270 nan 0.000 0.428 176 T N -2.367 112.029 114.554 -0.263 0.000 2.985 176 T HA 0.033 4.383 4.350 -0.000 0.000 0.266 176 T C 1.623 176.231 174.700 -0.153 0.000 1.076 176 T CA 0.681 62.678 62.100 -0.173 0.000 1.135 176 T CB -0.033 68.750 68.868 -0.141 0.000 0.890 176 T HN 0.270 nan 8.240 nan 0.000 0.480 177 R N -0.088 120.292 120.500 -0.200 0.000 2.282 177 R HA 0.395 4.735 4.340 -0.000 0.000 0.195 177 R C 1.479 177.718 176.300 -0.100 0.000 0.909 177 R CA 0.207 56.222 56.100 -0.141 0.000 1.039 177 R CB 0.432 30.638 30.300 -0.156 0.000 1.015 177 R HN 0.297 nan 8.270 nan 0.000 0.513 178 V N -0.983 118.840 119.914 -0.152 0.000 3.161 178 V HA 0.026 4.146 4.120 -0.000 0.000 0.221 178 V C 1.325 177.491 176.094 0.119 0.000 1.296 178 V CA 0.436 62.731 62.300 -0.008 0.000 1.306 178 V CB -0.264 31.535 31.823 -0.039 0.000 1.171 178 V HN -0.032 nan 8.190 nan 0.000 0.513 179 F N 1.532 121.411 119.950 -0.119 0.000 2.075 179 F HA -0.135 4.392 4.527 -0.000 0.000 0.297 179 F C 2.598 178.315 175.800 -0.138 0.000 1.113 179 F CA 1.463 59.362 58.000 -0.168 0.000 1.218 179 F CB -1.244 37.548 39.000 -0.348 0.000 0.984 179 F HN 0.195 nan 8.300 nan 0.000 0.472 180 Q N -0.244 119.581 119.800 0.042 0.000 2.046 180 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 180 Q C -0.344 175.656 176.000 0.000 0.000 0.975 180 Q CA 1.643 57.434 55.803 -0.020 0.000 0.836 180 Q CB -1.451 27.251 28.738 -0.061 0.000 0.896 180 Q HN 0.282 nan 8.270 nan 0.000 0.428 181 P HA -0.137 nan 4.420 nan 0.000 0.218 181 P C 0.667 177.994 177.300 0.045 0.000 1.149 181 P CA 1.173 64.285 63.100 0.020 0.000 0.817 181 P CB 0.060 31.773 31.700 0.020 0.000 0.785 182 L N -1.316 119.960 121.223 0.088 0.000 2.592 182 L HA 0.151 4.491 4.340 -0.000 0.000 0.227 182 L C 0.368 177.286 176.870 0.081 0.000 1.127 182 L CA 0.120 55.028 54.840 0.113 0.000 0.884 182 L CB -0.651 41.543 42.059 0.225 0.000 1.065 182 L HN -0.039 nan 8.230 nan 0.000 0.457 183 K N 0.784 121.207 120.400 0.039 0.000 3.125 183 K HA -0.162 4.158 4.320 -0.000 0.000 0.268 183 K C -0.313 176.282 176.600 -0.009 0.000 1.078 183 K CA 0.380 56.670 56.287 0.004 0.000 0.775 183 K CB -1.854 30.654 32.500 0.012 0.000 1.253 183 K HN 0.324 nan 8.250 nan 0.000 0.486 184 L N 1.351 122.555 121.223 -0.032 0.000 2.389 184 L HA 0.147 4.487 4.340 -0.000 0.000 0.265 184 L C 0.891 177.599 176.870 -0.270 0.000 1.167 184 L CA -0.503 54.267 54.840 -0.118 0.000 1.045 184 L CB 0.172 42.131 42.059 -0.166 0.000 1.351 184 L HN 0.137 nan 8.230 nan 0.000 0.419 185 N N 0.355 118.912 118.700 -0.237 0.000 2.398 185 N HA -0.004 4.736 4.740 -0.000 0.000 0.188 185 N C 0.532 175.616 175.510 -0.712 0.000 1.122 185 N CA 0.540 53.335 53.050 -0.425 0.000 0.866 185 N CB 0.202 38.473 38.487 -0.360 0.000 0.970 185 N HN 0.481 nan 8.380 nan 0.000 0.462 186 H N -1.129 117.841 119.070 -0.167 0.000 2.767 186 H HA 0.274 4.830 4.556 -0.000 0.000 0.235 186 H C -0.422 174.793 175.328 -0.187 0.000 1.256 186 H CA -0.097 55.918 56.048 -0.055 0.000 0.957 186 H CB 0.378 30.136 29.762 -0.006 0.000 2.117 186 H HN -0.139 nan 8.280 nan 0.000 0.602 187 T N 0.803 115.034 114.554 -0.538 0.000 2.824 187 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 187 T C -0.822 173.177 174.700 -1.168 0.000 0.993 187 T CA -0.443 61.162 62.100 -0.825 0.000 0.967 187 T CB 1.541 69.686 68.868 -1.206 0.000 0.960 187 T HN 0.228 nan 8.240 nan 0.000 0.441 188 W N 1.673 122.644 121.300 -0.548 0.000 3.217 188 W HA 0.534 5.194 4.660 0.000 0.000 0.323 188 W C 0.532 176.920 176.519 -0.218 0.000 1.216 188 W CA -0.794 56.378 57.345 -0.288 0.000 1.194 188 W CB 1.102 30.404 29.460 -0.265 0.000 1.397 188 W HN 0.496 nan 8.180 nan 0.000 0.537 189 I N 1.478 122.165 120.570 0.195 0.000 2.494 189 I HA -0.041 4.129 4.170 -0.000 0.000 0.250 189 I C 0.357 176.502 176.117 0.048 0.000 1.112 189 I CA 0.865 62.218 61.300 0.089 0.000 1.438 189 I CB -0.021 38.045 38.000 0.110 0.000 1.111 189 I HN 0.263 nan 8.210 nan 0.000 0.431 190 N N 1.281 120.050 118.700 0.114 0.000 2.479 190 N HA 0.246 4.986 4.740 -0.000 0.000 0.261 190 N C -0.857 174.574 175.510 -0.131 0.000 0.979 190 N CA -0.219 52.823 53.050 -0.013 0.000 0.930 190 N CB 2.505 40.994 38.487 0.004 0.000 1.172 190 N HN -0.202 nan 8.380 nan 0.000 0.499 191 V N 4.855 124.592 119.914 -0.295 0.000 2.485 191 V HA 0.121 4.241 4.120 -0.000 0.000 0.287 191 V C -1.411 174.347 176.094 -0.560 0.000 1.022 191 V CA -0.776 61.202 62.300 -0.536 0.000 1.067 191 V CB 0.287 31.749 31.823 -0.602 0.000 0.967 191 V HN 0.515 nan 8.190 nan 0.000 0.479 192 P HA 0.298 nan 4.420 nan 0.000 0.276 192 P C -2.353 174.719 177.300 -0.379 0.000 1.252 192 P CA -1.901 60.824 63.100 -0.624 0.000 0.802 192 P CB 0.678 31.854 31.700 -0.872 0.000 1.035 193 P HA -0.180 nan 4.420 nan 0.000 0.216 193 P C 1.490 178.713 177.300 -0.128 0.000 1.150 193 P CA 2.196 65.209 63.100 -0.145 0.000 0.843 193 P CB -0.489 31.149 31.700 -0.102 0.000 0.787 194 A N -0.326 122.405 122.820 -0.149 0.000 2.070 194 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 194 A C 1.963 179.495 177.584 -0.086 0.000 1.159 194 A CA 1.477 53.456 52.037 -0.096 0.000 0.656 194 A CB -0.732 18.220 19.000 -0.080 0.000 0.800 194 A HN 0.120 nan 8.150 nan 0.000 0.453 195 E N -0.615 119.491 120.200 -0.156 0.000 2.481 195 E HA 0.011 4.361 4.350 -0.000 0.000 0.198 195 E C 1.314 177.868 176.600 -0.077 0.000 1.027 195 E CA 0.088 56.418 56.400 -0.116 0.000 0.900 195 E CB 0.014 29.589 29.700 -0.209 0.000 0.993 195 E HN 0.747 nan 8.360 nan 0.000 0.482 196 E N 1.381 121.540 120.200 -0.068 0.000 2.118 196 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 196 E C 1.945 178.565 176.600 0.032 0.000 0.992 196 E CA 1.365 57.766 56.400 0.003 0.000 0.804 196 E CB -0.092 29.608 29.700 0.000 0.000 0.741 196 E HN 0.236 nan 8.360 nan 0.000 0.458 197 K N 0.299 120.713 120.400 0.022 0.000 2.362 197 K HA -0.101 4.219 4.320 -0.000 0.000 0.200 197 K C 0.946 177.572 176.600 0.043 0.000 1.046 197 K CA 1.563 57.873 56.287 0.040 0.000 0.952 197 K CB -0.109 32.410 32.500 0.031 0.000 0.753 197 K HN 0.081 nan 8.250 nan 0.000 0.466 198 N N -0.435 118.286 118.700 0.034 0.000 2.236 198 N HA 0.001 4.741 4.740 -0.000 0.000 0.196 198 N C -0.807 174.738 175.510 0.058 0.000 1.114 198 N CA -0.393 52.677 53.050 0.032 0.000 0.859 198 N CB 0.286 38.779 38.487 0.011 0.000 0.982 198 N HN 0.201 nan 8.380 nan 0.000 0.493 199 Y N 2.298 122.522 120.300 -0.127 0.000 2.452 199 Y HA 0.375 4.925 4.550 0.000 0.000 0.348 199 Y C 0.290 176.085 175.900 -0.175 0.000 0.985 199 Y CA -1.415 56.567 58.100 -0.195 0.000 1.214 199 Y CB 0.277 38.559 38.460 -0.298 0.000 1.136 199 Y HN -0.019 nan 8.280 nan 0.000 0.523 200 A N 6.087 128.940 122.820 0.054 0.000 2.466 200 A HA 0.006 4.326 4.320 -0.000 0.000 0.238 200 A C -1.061 176.494 177.584 -0.049 0.000 1.074 200 A CA -0.188 51.845 52.037 -0.006 0.000 0.774 200 A CB 0.266 19.208 19.000 -0.096 0.000 1.015 200 A HN 0.933 nan 8.150 nan 0.000 0.498 201 W N 0.412 121.712 121.300 0.001 0.000 2.316 201 W HA 0.488 5.148 4.660 0.000 0.000 0.321 201 W C 0.889 177.115 176.519 -0.490 0.000 1.203 201 W CA 0.537 57.696 57.345 -0.310 0.000 1.214 201 W CB 1.131 30.269 29.460 -0.536 0.000 1.169 201 W HN 0.932 nan 8.180 nan 0.000 0.561 202 G N 1.226 109.809 108.800 -0.362 0.000 2.504 202 G HA2 0.501 4.461 3.960 -0.000 0.000 0.288 202 G HA3 0.501 4.461 3.960 -0.000 0.000 0.288 202 G C -2.143 172.323 174.900 -0.722 0.000 1.182 202 G CA -0.475 44.133 45.100 -0.820 0.000 0.894 202 G HN 0.428 nan 8.290 nan 0.000 0.521 203 Y N -0.391 119.817 120.300 -0.153 0.000 2.338 203 Y HA 0.535 5.085 4.550 -0.000 0.000 0.333 203 Y C 0.409 176.298 175.900 -0.018 0.000 0.968 203 Y CA -0.778 57.291 58.100 -0.051 0.000 1.123 203 Y CB 2.330 40.768 38.460 -0.037 0.000 1.165 203 Y HN 0.503 nan 8.280 nan 0.000 0.452 204 R N 2.827 123.375 120.500 0.080 0.000 2.483 204 R HA 0.299 4.639 4.340 -0.000 0.000 0.303 204 R C -0.714 175.627 176.300 0.068 0.000 0.987 204 R CA -0.373 55.770 56.100 0.072 0.000 0.881 204 R CB 0.755 31.085 30.300 0.049 0.000 1.177 204 R HN 0.728 nan 8.270 nan 0.000 0.451 205 E N 2.687 122.927 120.200 0.067 0.000 2.476 205 E HA -0.229 4.121 4.350 -0.000 0.000 0.251 205 E C 0.573 177.207 176.600 0.056 0.000 1.130 205 E CA 1.400 57.829 56.400 0.049 0.000 0.736 205 E CB -1.579 28.140 29.700 0.033 0.000 1.298 205 E HN 1.179 nan 8.360 nan 0.000 0.400 206 G N -0.648 108.207 108.800 0.093 0.000 2.189 206 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.267 206 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.267 206 G C 0.262 175.260 174.900 0.163 0.000 0.975 206 G CA 1.050 46.216 45.100 0.111 0.000 0.644 206 G HN 0.345 nan 8.290 nan 0.000 0.537 207 K N 0.581 121.047 120.400 0.110 0.000 2.130 207 K HA 0.691 5.011 4.320 -0.000 0.000 0.268 207 K C 0.456 176.998 176.600 -0.097 0.000 0.983 207 K CA -0.072 56.227 56.287 0.019 0.000 0.893 207 K CB 1.744 34.227 32.500 -0.029 0.000 1.066 207 K HN 0.436 nan 8.250 nan 0.000 0.450 208 A N 2.362 125.015 122.820 -0.278 0.000 2.451 208 A HA 0.385 4.705 4.320 -0.000 0.000 0.266 208 A C -0.067 177.318 177.584 -0.332 0.000 1.119 208 A CA -0.376 51.296 52.037 -0.608 0.000 0.786 208 A CB -0.271 18.177 19.000 -0.920 0.000 1.061 208 A HN 0.535 nan 8.150 nan 0.000 0.503 209 V N 0.997 120.834 119.914 -0.128 0.000 3.049 209 V HA 0.703 4.823 4.120 -0.000 0.000 0.309 209 V C -0.737 175.448 176.094 0.152 0.000 1.148 209 V CA -0.848 61.492 62.300 0.066 0.000 0.990 209 V CB 1.279 33.128 31.823 0.042 0.000 1.039 209 V HN 0.956 nan 8.190 nan 0.000 0.430 210 H N 0.460 119.659 119.070 0.215 0.000 2.731 210 H HA 0.693 5.249 4.556 0.000 0.000 0.368 210 H C -0.503 174.917 175.328 0.153 0.000 1.168 210 H CA -0.967 55.145 56.048 0.107 0.000 1.181 210 H CB 2.294 31.991 29.762 -0.109 0.000 1.743 210 H HN 0.799 nan 8.280 nan 0.000 0.547 211 V N 2.211 122.315 119.914 0.318 0.000 2.788 211 V HA -0.008 4.112 4.120 -0.000 0.000 0.307 211 V C -0.179 176.035 176.094 0.199 0.000 1.069 211 V CA 0.444 62.885 62.300 0.234 0.000 1.173 211 V CB 0.777 32.739 31.823 0.232 0.000 0.925 211 V HN 0.746 nan 8.190 nan 0.000 0.492 212 S N 7.453 123.254 115.700 0.169 0.000 2.646 212 S HA 0.536 5.006 4.470 -0.000 0.000 0.276 212 S C -2.358 172.328 174.600 0.144 0.000 1.222 212 S CA -0.785 57.498 58.200 0.138 0.000 1.014 212 S CB 1.184 64.448 63.200 0.107 0.000 0.991 212 S HN 0.862 nan 8.310 nan 0.000 0.533 213 P HA 0.415 nan 4.420 nan 0.000 0.268 213 P C -0.239 177.114 177.300 0.088 0.000 1.205 213 P CA -0.139 63.008 63.100 0.078 0.000 0.771 213 P CB 0.333 32.060 31.700 0.046 0.000 0.858 214 G N -0.010 108.835 108.800 0.076 0.000 2.677 214 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 -1.348 173.553 174.900 0.002 0.000 1.435 214 G CA -0.528 44.620 45.100 0.080 0.000 0.826 214 G HN 0.543 nan 8.290 nan 0.000 0.491 215 A N 0.327 123.141 122.820 -0.010 0.000 2.511 215 A HA 0.541 4.861 4.320 -0.000 0.000 0.242 215 A C 1.387 178.919 177.584 -0.086 0.000 1.069 215 A CA 0.428 52.436 52.037 -0.049 0.000 0.763 215 A CB -0.373 18.598 19.000 -0.049 0.000 1.001 215 A HN 1.732 nan 8.150 nan 0.000 0.498 216 L N 0.403 121.539 121.223 -0.145 0.000 4.179 216 L HA -0.326 4.014 4.340 -0.000 0.000 0.418 216 L C 1.249 177.883 176.870 -0.394 0.000 1.168 216 L CA 0.674 55.374 54.840 -0.232 0.000 0.972 216 L CB -1.773 40.212 42.059 -0.124 0.000 2.005 216 L HN 1.013 nan 8.230 nan 0.000 0.935 217 D N 0.321 120.444 120.400 -0.462 0.000 2.097 217 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 217 D C 1.964 177.827 176.300 -0.729 0.000 0.989 217 D CA 1.519 54.959 54.000 -0.934 0.000 0.827 217 D CB -0.141 40.329 40.800 -0.550 0.000 0.966 217 D HN 0.444 nan 8.370 nan 0.000 0.456 218 A N 0.779 123.345 122.820 -0.424 0.000 1.908 218 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 218 A C 2.119 179.494 177.584 -0.348 0.000 1.181 218 A CA 1.999 53.871 52.037 -0.274 0.000 0.627 218 A CB -0.687 18.235 19.000 -0.130 0.000 0.818 218 A HN 0.238 nan 8.150 nan 0.000 0.445 219 E N -0.414 119.385 120.200 -0.667 0.000 2.152 219 E HA 0.133 4.483 4.350 -0.000 0.000 0.192 219 E C 1.948 178.390 176.600 -0.263 0.000 0.983 219 E CA 1.209 57.167 56.400 -0.737 0.000 0.818 219 E CB -0.221 28.955 29.700 -0.874 0.000 0.758 219 E HN 0.595 nan 8.360 nan 0.000 0.467 220 A N -0.396 122.268 122.820 -0.259 0.000 2.085 220 A HA 0.110 4.430 4.320 -0.000 0.000 0.208 220 A C 0.642 178.297 177.584 0.118 0.000 1.191 220 A CA 0.482 52.495 52.037 -0.040 0.000 0.799 220 A CB 0.023 19.049 19.000 0.042 0.000 0.877 220 A HN 0.406 nan 8.150 nan 0.000 0.473 221 Y N -4.418 115.897 120.300 0.024 0.000 3.070 221 Y HA 0.466 5.016 4.550 -0.000 0.000 0.254 221 Y C 0.690 176.606 175.900 0.026 0.000 1.070 221 Y CA -0.499 57.631 58.100 0.049 0.000 1.229 221 Y CB -0.407 38.089 38.460 0.059 0.000 1.264 221 Y HN -0.010 nan 8.280 nan 0.000 0.639 222 G N 0.698 109.459 108.800 -0.065 0.000 3.393 222 G HA2 0.416 4.376 3.960 -0.000 0.000 0.255 222 G HA3 0.416 4.376 3.960 -0.000 0.000 0.255 222 G C -0.400 174.474 174.900 -0.043 0.000 1.097 222 G CA -0.035 45.029 45.100 -0.059 0.000 0.780 222 G HN 0.116 nan 8.290 nan 0.000 0.540 223 V N 0.530 120.412 119.914 -0.053 0.000 2.567 223 V HA 0.440 4.560 4.120 -0.000 0.000 0.289 223 V C -0.287 175.693 176.094 -0.191 0.000 1.049 223 V CA -0.483 61.721 62.300 -0.160 0.000 0.969 223 V CB 1.544 33.169 31.823 -0.330 0.000 0.995 223 V HN 0.146 nan 8.190 nan 0.000 0.471 224 K N 2.360 122.606 120.400 -0.257 0.000 2.270 224 K HA 0.787 5.107 4.320 -0.000 0.000 0.255 224 K C -0.560 175.886 176.600 -0.257 0.000 0.936 224 K CA -0.166 55.958 56.287 -0.272 0.000 0.809 224 K CB 1.999 34.229 32.500 -0.450 0.000 1.131 224 K HN 0.709 nan 8.250 nan 0.000 0.427 225 S N 0.266 115.888 115.700 -0.131 0.000 2.625 225 S HA 0.600 5.070 4.470 -0.000 0.000 0.271 225 S C -1.140 173.516 174.600 0.092 0.000 1.161 225 S CA -0.718 57.423 58.200 -0.097 0.000 0.820 225 S CB 0.982 64.077 63.200 -0.174 0.000 1.137 225 S HN 0.675 nan 8.310 nan 0.000 0.470 226 T N 0.203 114.816 114.554 0.098 0.000 2.912 226 T HA 0.524 4.874 4.350 -0.000 0.000 0.280 226 T C 1.231 176.040 174.700 0.181 0.000 0.989 226 T CA -0.527 61.679 62.100 0.176 0.000 0.995 226 T CB 0.779 69.698 68.868 0.084 0.000 1.077 226 T HN 0.446 nan 8.240 nan 0.000 0.531 227 I N 0.491 121.182 120.570 0.201 0.000 2.394 227 I HA -0.007 4.163 4.170 -0.000 0.000 0.251 227 I C 2.452 178.704 176.117 0.225 0.000 1.136 227 I CA 1.394 62.822 61.300 0.214 0.000 1.425 227 I CB -0.612 37.538 38.000 0.249 0.000 1.079 227 I HN 0.965 nan 8.210 nan 0.000 0.425 228 E N 0.061 120.290 120.200 0.047 0.000 2.047 228 E HA -0.248 4.102 4.350 -0.000 0.000 0.191 228 E C 1.603 178.295 176.600 0.153 0.000 0.987 228 E CA 1.555 57.972 56.400 0.028 0.000 0.799 228 E CB -0.087 29.512 29.700 -0.168 0.000 0.752 228 E HN 0.433 nan 8.360 nan 0.000 0.449 229 D N 0.043 120.513 120.400 0.118 0.000 2.144 229 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 229 D C 1.871 178.294 176.300 0.205 0.000 0.978 229 D CA 0.918 54.990 54.000 0.120 0.000 0.833 229 D CB -0.064 40.749 40.800 0.022 0.000 0.961 229 D HN 0.246 nan 8.370 nan 0.000 0.470 230 M N 0.349 120.086 119.600 0.228 0.000 2.229 230 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 230 M C 2.204 178.692 176.300 0.314 0.000 1.063 230 M CA 0.617 56.108 55.300 0.317 0.000 1.114 230 M CB -1.012 31.757 32.600 0.281 0.000 1.387 230 M HN -0.026 nan 8.290 nan 0.000 0.420 231 A N 0.353 123.336 122.820 0.271 0.000 1.902 231 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 231 A C 2.346 180.013 177.584 0.138 0.000 1.181 231 A CA 1.427 53.582 52.037 0.196 0.000 0.623 231 A CB -0.549 18.597 19.000 0.244 0.000 0.818 231 A HN 0.452 nan 8.150 nan 0.000 0.443 232 R N -1.652 118.955 120.500 0.178 0.000 2.081 232 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 232 R C 2.204 178.611 176.300 0.179 0.000 1.131 232 R CA 1.434 57.618 56.100 0.140 0.000 0.960 232 R CB -0.443 29.949 30.300 0.153 0.000 0.856 232 R HN 0.871 nan 8.270 nan 0.000 0.436 233 W N 1.218 122.546 121.300 0.045 0.000 2.335 233 W HA -0.213 4.447 4.660 0.000 0.000 0.311 233 W C 1.581 178.046 176.519 -0.090 0.000 1.213 233 W CA 1.222 58.581 57.345 0.024 0.000 1.274 233 W CB -0.023 29.502 29.460 0.109 0.000 1.148 233 W HN -0.114 nan 8.180 nan 0.000 0.498 234 V N 1.009 120.876 119.914 -0.078 0.000 2.343 234 V HA -0.337 3.783 4.120 -0.000 0.000 0.247 234 V C 2.370 178.146 176.094 -0.531 0.000 1.051 234 V CA 2.417 64.464 62.300 -0.422 0.000 1.036 234 V CB -1.129 30.572 31.823 -0.204 0.000 0.654 234 V HN 0.165 nan 8.190 nan 0.000 0.451 235 Q N 0.473 120.104 119.800 -0.282 0.000 2.124 235 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 235 Q C 2.317 178.131 176.000 -0.309 0.000 0.977 235 Q CA 2.274 57.916 55.803 -0.268 0.000 0.850 235 Q CB -0.502 28.150 28.738 -0.143 0.000 0.901 235 Q HN 0.630 nan 8.270 nan 0.000 0.429 236 S N 0.459 115.991 115.700 -0.279 0.000 2.382 236 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 236 S C 1.543 175.885 174.600 -0.430 0.000 1.027 236 S CA 1.159 59.198 58.200 -0.267 0.000 0.991 236 S CB -0.280 62.831 63.200 -0.148 0.000 0.823 236 S HN 0.492 nan 8.310 nan 0.000 0.469 237 N N 1.050 119.324 118.700 -0.711 0.000 2.354 237 N HA 0.133 4.873 4.740 -0.000 0.000 0.179 237 N C 1.584 176.603 175.510 -0.818 0.000 1.021 237 N CA 0.491 53.038 53.050 -0.840 0.000 0.887 237 N CB -0.122 37.645 38.487 -1.200 0.000 0.974 237 N HN 0.329 nan 8.380 nan 0.000 0.437 238 L N 0.333 121.041 121.223 -0.858 0.000 2.109 238 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 238 L C 1.067 177.755 176.870 -0.303 0.000 1.086 238 L CA 1.046 55.555 54.840 -0.552 0.000 0.760 238 L CB 0.123 41.904 42.059 -0.462 0.000 0.910 238 L HN -0.064 nan 8.230 nan 0.000 0.437 239 K N -0.615 119.617 120.400 -0.281 0.000 2.920 239 K HA 0.190 4.510 4.320 -0.000 0.000 0.175 239 K C -1.912 174.592 176.600 -0.160 0.000 1.099 239 K CA -1.183 54.993 56.287 -0.184 0.000 0.939 239 K CB 1.124 33.529 32.500 -0.158 0.000 1.148 239 K HN -0.160 nan 8.250 nan 0.000 0.613 240 P HA -0.151 nan 4.420 nan 0.000 0.222 240 P C 0.969 178.221 177.300 -0.081 0.000 1.147 240 P CA 0.830 63.858 63.100 -0.120 0.000 0.790 240 P CB 0.263 31.897 31.700 -0.109 0.000 0.780 241 L N -0.360 120.817 121.223 -0.076 0.000 2.456 241 L HA -0.084 4.256 4.340 -0.000 0.000 0.224 241 L C 1.617 178.456 176.870 -0.052 0.000 1.148 241 L CA 1.063 55.869 54.840 -0.057 0.000 0.825 241 L CB -0.807 41.219 42.059 -0.055 0.000 0.937 241 L HN -0.094 nan 8.230 nan 0.000 0.450 242 D N -0.018 120.346 120.400 -0.061 0.000 2.355 242 D HA 0.143 4.783 4.640 -0.000 0.000 0.218 242 D C 0.777 177.052 176.300 -0.041 0.000 1.004 242 D CA 0.443 54.412 54.000 -0.052 0.000 0.880 242 D CB 0.230 40.993 40.800 -0.061 0.000 0.911 242 D HN 0.225 nan 8.370 nan 0.000 0.528 243 I N 1.728 122.273 120.570 -0.041 0.000 2.416 243 I HA 0.012 4.182 4.170 -0.000 0.000 0.288 243 I C 1.326 177.432 176.117 -0.019 0.000 1.051 243 I CA -0.302 60.983 61.300 -0.025 0.000 1.375 243 I CB 0.876 38.863 38.000 -0.022 0.000 1.407 243 I HN -0.200 nan 8.210 nan 0.000 0.516 244 N N 4.097 122.790 118.700 -0.013 0.000 2.354 244 N HA -0.070 4.670 4.740 -0.000 0.000 0.179 244 N C 0.104 175.608 175.510 -0.010 0.000 1.021 244 N CA 0.688 53.731 53.050 -0.012 0.000 0.887 244 N CB 0.029 38.509 38.487 -0.011 0.000 0.974 244 N HN 0.559 nan 8.380 nan 0.000 0.437 245 E N 1.285 121.482 120.200 -0.006 0.000 2.220 245 E HA 0.071 4.421 4.350 -0.000 0.000 0.272 245 E C 0.795 177.392 176.600 -0.004 0.000 1.099 245 E CA 0.058 56.456 56.400 -0.005 0.000 0.907 245 E CB 0.726 30.425 29.700 -0.001 0.000 1.022 245 E HN 0.150 nan 8.360 nan 0.000 0.428 246 K N 1.222 121.619 120.400 -0.006 0.000 2.063 246 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 246 K C 1.924 178.524 176.600 -0.001 0.000 1.048 246 K CA 1.857 58.141 56.287 -0.005 0.000 0.928 246 K CB -0.181 32.315 32.500 -0.006 0.000 0.713 246 K HN 0.576 nan 8.250 nan 0.000 0.442 247 T N -0.099 114.455 114.554 0.000 0.000 2.951 247 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 247 T C 1.836 176.545 174.700 0.014 0.000 1.073 247 T CA 0.597 62.700 62.100 0.005 0.000 1.134 247 T CB -0.119 68.749 68.868 -0.001 0.000 0.884 247 T HN 0.046 nan 8.240 nan 0.000 0.479 248 L N 1.058 122.289 121.223 0.014 0.000 2.072 248 L HA 0.155 4.495 4.340 -0.000 0.000 0.205 248 L C 2.776 179.662 176.870 0.026 0.000 1.079 248 L CA 1.705 56.564 54.840 0.031 0.000 0.752 248 L CB -0.987 41.094 42.059 0.037 0.000 0.906 248 L HN 0.361 nan 8.230 nan 0.000 0.436 249 Q N -0.756 119.049 119.800 0.008 0.000 2.061 249 Q HA -0.317 4.023 4.340 -0.000 0.000 0.204 249 Q C 2.318 178.318 176.000 -0.001 0.000 0.984 249 Q CA 2.377 58.175 55.803 -0.008 0.000 0.846 249 Q CB -0.272 28.457 28.738 -0.015 0.000 0.902 249 Q HN 0.714 nan 8.270 nan 0.000 0.421 250 Q N -0.870 118.935 119.800 0.008 0.000 2.084 250 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 250 Q C 1.939 177.962 176.000 0.038 0.000 0.978 250 Q CA 1.460 57.273 55.803 0.016 0.000 0.844 250 Q CB -0.328 28.420 28.738 0.016 0.000 0.898 250 Q HN 0.546 nan 8.270 nan 0.000 0.426 251 G N 1.012 109.841 108.800 0.049 0.000 2.422 251 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 251 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 251 G C 1.391 176.350 174.900 0.100 0.000 1.146 251 G CA 0.828 45.977 45.100 0.081 0.000 0.769 251 G HN 0.362 nan 8.290 nan 0.000 0.547 252 I N 0.249 120.859 120.570 0.067 0.000 2.226 252 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 252 I C 3.032 179.176 176.117 0.045 0.000 1.100 252 I CA 1.264 62.592 61.300 0.045 0.000 1.374 252 I CB -0.283 37.689 38.000 -0.046 0.000 1.057 252 I HN 0.247 nan 8.210 nan 0.000 0.413 253 Q N 0.490 120.303 119.800 0.022 0.000 2.084 253 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 253 Q C 2.374 178.405 176.000 0.051 0.000 0.978 253 Q CA 1.359 57.169 55.803 0.012 0.000 0.844 253 Q CB -0.150 28.584 28.738 -0.007 0.000 0.898 253 Q HN 0.514 nan 8.270 nan 0.000 0.426 254 L N 0.068 121.345 121.223 0.089 0.000 2.131 254 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 254 L C 2.360 179.377 176.870 0.245 0.000 1.092 254 L CA 0.813 55.743 54.840 0.149 0.000 0.759 254 L CB -0.463 41.693 42.059 0.160 0.000 0.903 254 L HN 0.216 nan 8.230 nan 0.000 0.435 255 A N -0.918 122.046 122.820 0.239 0.000 2.066 255 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 255 A C 2.034 179.843 177.584 0.374 0.000 1.157 255 A CA 1.013 53.250 52.037 0.333 0.000 0.670 255 A CB -0.205 19.022 19.000 0.377 0.000 0.804 255 A HN 0.479 nan 8.150 nan 0.000 0.453 256 Q N 0.001 119.935 119.800 0.222 0.000 2.280 256 Q HA 0.193 4.533 4.340 -0.000 0.000 0.201 256 Q C -0.119 175.907 176.000 0.043 0.000 0.890 256 Q CA -0.327 55.550 55.803 0.122 0.000 0.947 256 Q CB 0.431 29.162 28.738 -0.010 0.000 1.081 256 Q HN 0.496 nan 8.270 nan 0.000 0.502 257 S N 0.921 116.632 115.700 0.018 0.000 2.579 257 S HA 0.209 4.679 4.470 -0.000 0.000 0.275 257 S C 0.078 174.505 174.600 -0.288 0.000 1.345 257 S CA -0.121 57.942 58.200 -0.229 0.000 1.031 257 S CB 0.567 63.499 63.200 -0.446 0.000 0.892 257 S HN 0.235 nan 8.310 nan 0.000 0.529 258 R N 1.444 121.738 120.500 -0.343 0.000 2.204 258 R HA 0.246 4.586 4.340 -0.000 0.000 0.341 258 R C -0.384 175.746 176.300 -0.284 0.000 1.035 258 R CA -0.142 55.864 56.100 -0.157 0.000 0.887 258 R CB 0.402 30.606 30.300 -0.161 0.000 1.114 258 R HN 0.689 nan 8.270 nan 0.000 0.473 259 Y N 0.647 120.946 120.300 -0.002 0.000 2.479 259 Y HA 0.137 4.687 4.550 0.000 0.000 0.283 259 Y C 0.141 175.730 175.900 -0.518 0.000 1.109 259 Y CA 0.329 58.261 58.100 -0.281 0.000 1.239 259 Y CB 0.551 38.843 38.460 -0.279 0.000 1.108 259 Y HN 0.459 nan 8.280 nan 0.000 0.548 260 W N -0.322 121.146 121.300 0.281 0.000 3.167 260 W HA 0.543 5.204 4.660 0.000 0.000 0.324 260 W C -0.932 175.692 176.519 0.176 0.000 1.230 260 W CA -0.990 56.474 57.345 0.200 0.000 1.184 260 W CB 1.141 30.704 29.460 0.172 0.000 1.414 260 W HN -0.462 nan 8.180 nan 0.000 0.551 261 Q N 1.025 121.020 119.800 0.325 0.000 2.353 261 Q HA 0.708 5.048 4.340 -0.000 0.000 0.268 261 Q C -1.208 174.806 176.000 0.023 0.000 1.045 261 Q CA -0.403 55.416 55.803 0.026 0.000 0.811 261 Q CB 2.119 30.797 28.738 -0.101 0.000 1.305 261 Q HN 0.460 nan 8.270 nan 0.000 0.447 262 T N 3.104 117.621 114.554 -0.061 0.000 2.985 262 T HA 0.560 4.910 4.350 -0.000 0.000 0.315 262 T C 0.078 174.726 174.700 -0.088 0.000 1.001 262 T CA 0.226 62.302 62.100 -0.040 0.000 1.016 262 T CB 1.032 69.901 68.868 0.001 0.000 0.993 262 T HN 1.028 nan 8.240 nan 0.000 0.454 263 G N 4.432 113.180 108.800 -0.087 0.000 2.556 263 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.283 263 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.283 263 G C 0.432 175.247 174.900 -0.141 0.000 1.177 263 G CA 0.564 45.611 45.100 -0.089 0.000 0.978 263 G HN 0.786 nan 8.290 nan 0.000 0.554 264 D N 0.462 120.791 120.400 -0.118 0.000 2.342 264 D HA 0.360 5.000 4.640 -0.000 0.000 0.221 264 D C 1.109 177.318 176.300 -0.151 0.000 1.101 264 D CA 0.971 54.896 54.000 -0.124 0.000 0.837 264 D CB -0.230 40.535 40.800 -0.058 0.000 0.938 264 D HN 0.842 nan 8.370 nan 0.000 0.508 265 M N -1.195 118.294 119.600 -0.185 0.000 2.664 265 M HA 0.651 5.131 4.480 -0.000 0.000 0.314 265 M C -1.550 174.604 176.300 -0.243 0.000 1.200 265 M CA -1.010 54.251 55.300 -0.066 0.000 0.916 265 M CB 1.623 34.287 32.600 0.107 0.000 1.717 265 M HN -0.186 nan 8.290 nan 0.000 0.470 266 Y N -0.243 120.170 120.300 0.189 0.000 2.425 266 Y HA 0.624 5.174 4.550 0.000 0.000 0.344 266 Y C -0.646 175.419 175.900 0.274 0.000 0.969 266 Y CA -0.667 57.559 58.100 0.209 0.000 1.052 266 Y CB 2.005 40.555 38.460 0.150 0.000 1.215 266 Y HN 0.723 nan 8.280 nan 0.000 0.451 267 Q N 1.788 121.873 119.800 0.476 0.000 2.303 267 Q HA 0.601 4.941 4.340 -0.000 0.000 0.257 267 Q C -0.043 176.260 176.000 0.505 0.000 0.941 267 Q CA -0.229 55.858 55.803 0.473 0.000 0.931 267 Q CB 1.284 30.319 28.738 0.496 0.000 1.215 267 Q HN 0.898 nan 8.270 nan 0.000 0.437 268 G N 2.773 111.844 108.800 0.450 0.000 2.736 268 G HA2 0.481 4.441 3.960 -0.000 0.000 0.229 268 G HA3 0.481 4.441 3.960 -0.000 0.000 0.229 268 G C -0.918 174.160 174.900 0.296 0.000 1.380 268 G CA -0.829 44.560 45.100 0.482 0.000 1.040 268 G HN 0.596 nan 8.290 nan 0.000 0.568 269 L N 1.160 122.529 121.223 0.243 0.000 2.270 269 L HA 0.448 4.788 4.340 -0.000 0.000 0.286 269 L C 1.383 178.311 176.870 0.096 0.000 1.059 269 L CA 0.442 55.297 54.840 0.026 0.000 0.839 269 L CB 0.468 42.535 42.059 0.013 0.000 1.221 269 L HN 1.042 nan 8.230 nan 0.000 0.431 270 G N 2.201 111.031 108.800 0.051 0.000 4.039 270 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.220 270 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.220 270 G C 0.010 174.963 174.900 0.088 0.000 1.391 270 G CA -0.190 44.934 45.100 0.041 0.000 0.920 270 G HN 0.515 nan 8.290 nan 0.000 0.599 271 W N 2.325 123.760 121.300 0.225 0.000 2.137 271 W HA 0.578 5.238 4.660 -0.000 0.000 0.344 271 W C 0.836 177.503 176.519 0.247 0.000 1.286 271 W CA -0.183 57.287 57.345 0.209 0.000 1.240 271 W CB 0.416 29.968 29.460 0.154 0.000 1.141 271 W HN 0.324 nan 8.180 nan 0.000 0.579 272 E N 1.483 122.029 120.200 0.577 0.000 2.256 272 E HA 0.584 4.934 4.350 -0.000 0.000 0.267 272 E C -0.868 176.028 176.600 0.493 0.000 0.892 272 E CA -1.142 55.562 56.400 0.507 0.000 0.775 272 E CB 1.793 31.783 29.700 0.483 0.000 1.207 272 E HN 0.176 nan 8.360 nan 0.000 0.420 273 M N 1.854 121.700 119.600 0.411 0.000 2.550 273 M HA 0.482 4.962 4.480 -0.000 0.000 0.292 273 M C -1.568 174.963 176.300 0.386 0.000 1.221 273 M CA -0.364 55.121 55.300 0.308 0.000 0.873 273 M CB 1.794 34.507 32.600 0.188 0.000 1.727 273 M HN 0.303 nan 8.290 nan 0.000 0.459 274 L N 0.342 121.759 121.223 0.323 0.000 2.393 274 L HA 0.562 4.902 4.340 -0.000 0.000 0.260 274 L C -0.812 176.227 176.870 0.282 0.000 1.002 274 L CA -0.709 54.328 54.840 0.329 0.000 0.818 274 L CB 1.910 44.083 42.059 0.189 0.000 1.369 274 L HN 0.547 nan 8.230 nan 0.000 0.412 275 D N 0.854 121.409 120.400 0.257 0.000 2.424 275 D HA -0.011 4.629 4.640 -0.000 0.000 0.244 275 D C -0.934 175.495 176.300 0.214 0.000 1.134 275 D CA 0.182 54.293 54.000 0.186 0.000 0.881 275 D CB 1.156 42.038 40.800 0.136 0.000 1.191 275 D HN 0.352 nan 8.370 nan 0.000 0.445 276 W N 4.665 126.020 121.300 0.091 0.000 2.469 276 W HA 0.285 4.945 4.660 -0.000 0.000 0.320 276 W C -2.307 174.260 176.519 0.080 0.000 1.086 276 W CA -1.806 55.610 57.345 0.117 0.000 1.211 276 W CB 1.152 30.697 29.460 0.142 0.000 1.298 276 W HN 0.234 nan 8.180 nan 0.000 0.525 277 P HA 0.144 nan 4.420 nan 0.000 0.275 277 P C -0.415 176.525 177.300 -0.601 0.000 1.228 277 P CA -0.008 62.275 63.100 -1.362 0.000 0.786 277 P CB 1.682 32.768 31.700 -1.023 0.000 0.927 278 V N -0.619 118.959 119.914 -0.560 0.000 2.966 278 V HA 0.510 4.630 4.120 -0.000 0.000 0.317 278 V C 0.165 176.035 176.094 -0.373 0.000 1.070 278 V CA -1.092 61.014 62.300 -0.322 0.000 1.008 278 V CB 1.301 32.930 31.823 -0.323 0.000 1.070 278 V HN 0.579 nan 8.190 nan 0.000 0.457 279 N N 3.600 122.097 118.700 -0.337 0.000 2.406 279 N HA 0.369 5.109 4.740 -0.000 0.000 0.251 279 N C -1.194 173.989 175.510 -0.545 0.000 1.069 279 N CA -2.283 50.544 53.050 -0.371 0.000 0.947 279 N CB 1.267 39.597 38.487 -0.261 0.000 1.111 279 N HN 0.539 nan 8.380 nan 0.000 0.497 280 P HA -0.144 nan 4.420 nan 0.000 0.216 280 P C 0.259 177.184 177.300 -0.625 0.000 1.150 280 P CA 1.198 63.616 63.100 -1.136 0.000 0.843 280 P CB 0.445 30.958 31.700 -1.978 0.000 0.787 281 D N -0.446 119.680 120.400 -0.458 0.000 2.218 281 D HA -0.107 4.533 4.640 -0.000 0.000 0.204 281 D C 2.184 178.347 176.300 -0.228 0.000 0.976 281 D CA 1.064 54.891 54.000 -0.288 0.000 0.853 281 D CB -0.555 40.114 40.800 -0.219 0.000 0.939 281 D HN 0.188 nan 8.370 nan 0.000 0.481 282 S N 0.465 116.020 115.700 -0.243 0.000 2.368 282 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 282 S C 2.153 176.665 174.600 -0.148 0.000 1.029 282 S CA 0.816 58.911 58.200 -0.174 0.000 0.988 282 S CB -0.176 62.924 63.200 -0.168 0.000 0.838 282 S HN 0.397 nan 8.310 nan 0.000 0.462 283 I N -1.119 119.325 120.570 -0.211 0.000 2.500 283 I HA 0.045 4.215 4.170 -0.000 0.000 0.252 283 I C 2.071 178.153 176.117 -0.058 0.000 1.142 283 I CA 0.961 62.196 61.300 -0.108 0.000 1.451 283 I CB -0.505 37.359 38.000 -0.226 0.000 1.093 283 I HN 0.223 nan 8.210 nan 0.000 0.430 284 I N 2.280 122.767 120.570 -0.139 0.000 2.163 284 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 284 I C 2.228 178.299 176.117 -0.078 0.000 1.081 284 I CA 2.046 63.286 61.300 -0.101 0.000 1.353 284 I CB -0.646 37.275 38.000 -0.133 0.000 1.054 284 I HN 0.285 nan 8.210 nan 0.000 0.407 285 N N 0.525 119.171 118.700 -0.090 0.000 2.223 285 N HA -0.119 4.621 4.740 -0.000 0.000 0.185 285 N C 1.880 177.358 175.510 -0.053 0.000 1.016 285 N CA 1.000 54.008 53.050 -0.070 0.000 0.863 285 N CB -0.263 38.178 38.487 -0.076 0.000 0.983 285 N HN 0.391 nan 8.380 nan 0.000 0.429 286 G N 0.263 109.037 108.800 -0.043 0.000 2.509 286 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 286 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 286 G C 1.494 176.385 174.900 -0.015 0.000 1.124 286 G CA 0.877 45.965 45.100 -0.019 0.000 0.776 286 G HN 0.416 nan 8.290 nan 0.000 0.547 287 S N -0.612 115.076 115.700 -0.020 0.000 2.528 287 S HA 0.048 4.518 4.470 -0.000 0.000 0.219 287 S C 0.714 175.269 174.600 -0.074 0.000 0.985 287 S CA -0.098 58.074 58.200 -0.046 0.000 0.914 287 S CB 0.084 63.255 63.200 -0.047 0.000 0.776 287 S HN 0.278 nan 8.310 nan 0.000 0.526 288 D N 1.331 121.694 120.400 -0.061 0.000 2.382 288 D HA 0.330 4.970 4.640 -0.000 0.000 0.245 288 D C 1.372 177.636 176.300 -0.060 0.000 1.120 288 D CA 0.537 54.503 54.000 -0.057 0.000 0.890 288 D CB 1.565 42.338 40.800 -0.046 0.000 1.201 288 D HN 0.200 nan 8.370 nan 0.000 0.433 289 A N 4.849 127.636 122.820 -0.054 0.000 1.986 289 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 289 A C 2.015 179.578 177.584 -0.035 0.000 1.171 289 A CA 1.948 53.955 52.037 -0.050 0.000 0.640 289 A CB -0.522 18.459 19.000 -0.032 0.000 0.811 289 A HN 0.798 nan 8.150 nan 0.000 0.451 290 K N -0.552 119.832 120.400 -0.027 0.000 2.281 290 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 290 K C 1.546 178.132 176.600 -0.023 0.000 1.046 290 K CA 1.823 58.099 56.287 -0.019 0.000 0.938 290 K CB -0.345 32.144 32.500 -0.018 0.000 0.737 290 K HN 0.545 nan 8.250 nan 0.000 0.458 291 I N 0.661 121.210 120.570 -0.035 0.000 3.136 291 I HA 0.028 4.198 4.170 -0.000 0.000 0.262 291 I C 2.515 178.603 176.117 -0.047 0.000 1.132 291 I CA 0.483 61.761 61.300 -0.037 0.000 1.450 291 I CB -0.144 37.834 38.000 -0.038 0.000 1.315 291 I HN 0.153 nan 8.210 nan 0.000 0.460 292 A N 1.137 123.913 122.820 -0.072 0.000 1.972 292 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 292 A C 2.040 179.543 177.584 -0.135 0.000 1.169 292 A CA 1.380 53.341 52.037 -0.126 0.000 0.635 292 A CB -0.600 18.288 19.000 -0.188 0.000 0.810 292 A HN 0.437 nan 8.150 nan 0.000 0.446 293 L N -1.029 120.149 121.223 -0.075 0.000 2.667 293 L HA 0.311 4.651 4.340 -0.000 0.000 0.232 293 L C 0.933 177.821 176.870 0.029 0.000 1.138 293 L CA -0.155 54.678 54.840 -0.011 0.000 0.921 293 L CB -0.113 41.952 42.059 0.010 0.000 1.180 293 L HN 0.340 nan 8.230 nan 0.000 0.487 294 A N 0.716 123.540 122.820 0.007 0.000 2.304 294 A HA 0.718 5.038 4.320 -0.000 0.000 0.301 294 A C 0.431 178.014 177.584 -0.003 0.000 1.132 294 A CA -0.279 51.768 52.037 0.016 0.000 0.819 294 A CB 0.623 19.620 19.000 -0.003 0.000 1.094 294 A HN 0.193 nan 8.150 nan 0.000 0.492 295 A N 2.154 124.969 122.820 -0.008 0.000 2.462 295 A HA 0.553 4.873 4.320 -0.000 0.000 0.243 295 A C 0.483 177.954 177.584 -0.188 0.000 1.076 295 A CA 0.142 52.093 52.037 -0.144 0.000 0.773 295 A CB 0.064 18.874 19.000 -0.316 0.000 1.010 295 A HN 0.822 nan 8.150 nan 0.000 0.493 296 R N 2.246 122.615 120.500 -0.218 0.000 2.651 296 R HA 0.447 4.787 4.340 -0.000 0.000 0.278 296 R C -3.048 173.122 176.300 -0.218 0.000 1.010 296 R CA -1.918 54.076 56.100 -0.176 0.000 0.896 296 R CB 2.286 32.529 30.300 -0.096 0.000 1.211 296 R HN 0.509 nan 8.270 nan 0.000 0.456 297 P HA 0.043 nan 4.420 nan 0.000 0.271 297 P C -0.399 176.842 177.300 -0.098 0.000 1.216 297 P CA -0.261 62.733 63.100 -0.175 0.000 0.776 297 P CB 0.942 32.565 31.700 -0.129 0.000 0.881 298 V N 0.347 120.211 119.914 -0.083 0.000 2.581 298 V HA 0.539 4.659 4.120 -0.000 0.000 0.303 298 V C -0.054 176.153 176.094 0.189 0.000 1.041 298 V CA -1.008 61.320 62.300 0.047 0.000 0.907 298 V CB 1.954 33.764 31.823 -0.021 0.000 0.994 298 V HN 0.283 nan 8.190 nan 0.000 0.442 299 K N 2.798 123.348 120.400 0.250 0.000 2.211 299 K HA 0.707 5.027 4.320 -0.000 0.000 0.275 299 K C 0.096 176.926 176.600 0.384 0.000 1.024 299 K CA -0.295 56.144 56.287 0.254 0.000 0.887 299 K CB 1.925 34.512 32.500 0.144 0.000 1.084 299 K HN 1.037 nan 8.250 nan 0.000 0.463 300 A N 4.261 127.287 122.820 0.344 0.000 2.477 300 A HA 0.196 4.516 4.320 -0.000 0.000 0.246 300 A C 0.113 177.662 177.584 -0.059 0.000 1.078 300 A CA -0.128 51.915 52.037 0.010 0.000 0.770 300 A CB -0.208 18.783 19.000 -0.016 0.000 1.011 300 A HN 0.740 nan 8.150 nan 0.000 0.494 301 I N 2.908 123.364 120.570 -0.190 0.000 2.307 301 I HA 0.191 4.360 4.170 -0.000 0.000 0.287 301 I C -0.169 175.851 176.117 -0.162 0.000 1.054 301 I CA 0.068 61.303 61.300 -0.108 0.000 1.218 301 I CB 1.132 39.088 38.000 -0.073 0.000 1.398 301 I HN 0.521 nan 8.210 nan 0.000 0.475 302 T N 6.575 121.070 114.554 -0.099 0.000 2.874 302 T HA 0.392 4.742 4.350 -0.000 0.000 0.321 302 T C -1.665 172.998 174.700 -0.061 0.000 1.075 302 T CA -0.953 61.097 62.100 -0.085 0.000 0.966 302 T CB 0.604 69.443 68.868 -0.049 0.000 1.001 302 T HN 0.452 nan 8.240 nan 0.000 0.476 303 P HA 0.520 nan 4.420 nan 0.000 0.280 303 P C -3.041 174.171 177.300 -0.146 0.000 1.272 303 P CA -2.119 60.923 63.100 -0.096 0.000 0.819 303 P CB 0.059 31.716 31.700 -0.071 0.000 1.122 304 P HA 0.069 nan 4.420 nan 0.000 0.266 304 P C -0.306 176.831 177.300 -0.272 0.000 1.195 304 P CA 0.423 63.317 63.100 -0.342 0.000 0.768 304 P CB -0.029 31.288 31.700 -0.638 0.000 0.838 305 T N 5.567 119.967 114.554 -0.256 0.000 2.851 305 T HA 0.236 4.586 4.350 -0.000 0.000 0.298 305 T C -2.096 172.477 174.700 -0.213 0.000 0.977 305 T CA -0.985 60.994 62.100 -0.201 0.000 1.126 305 T CB -0.135 68.614 68.868 -0.198 0.000 0.916 305 T HN 0.273 nan 8.240 nan 0.000 0.529 306 P HA 0.219 nan 4.420 nan 0.000 0.270 306 P C -0.542 176.681 177.300 -0.128 0.000 1.223 306 P CA -0.514 62.507 63.100 -0.133 0.000 0.785 306 P CB 0.295 31.939 31.700 -0.093 0.000 0.923 307 A N 2.182 124.940 122.820 -0.104 0.000 2.583 307 A HA 0.042 4.362 4.320 -0.000 0.000 0.249 307 A C 0.170 177.697 177.584 -0.095 0.000 1.035 307 A CA 0.305 52.286 52.037 -0.093 0.000 0.777 307 A CB -0.859 18.099 19.000 -0.069 0.000 0.942 307 A HN 0.366 nan 8.150 nan 0.000 0.516 308 V N 5.977 125.827 119.914 -0.108 0.000 2.406 308 V HA 0.129 4.248 4.120 -0.000 0.000 0.272 308 V C 1.533 177.587 176.094 -0.067 0.000 1.043 308 V CA -0.287 61.957 62.300 -0.093 0.000 0.915 308 V CB 0.940 32.690 31.823 -0.122 0.000 0.988 308 V HN 1.057 nan 8.190 nan 0.000 0.466 309 R N 3.606 124.075 120.500 -0.051 0.000 2.096 309 R HA -0.025 4.315 4.340 -0.000 0.000 0.235 309 R C 1.256 177.543 176.300 -0.022 0.000 1.127 309 R CA 1.355 57.429 56.100 -0.044 0.000 0.968 309 R CB -0.063 30.212 30.300 -0.041 0.000 0.861 309 R HN 0.729 nan 8.270 nan 0.000 0.440 310 A N 1.695 124.527 122.820 0.021 0.000 3.091 310 A HA 0.273 4.593 4.320 -0.000 0.000 0.264 310 A C -0.559 177.119 177.584 0.157 0.000 1.673 310 A CA -0.006 52.096 52.037 0.108 0.000 1.362 310 A CB 0.114 19.204 19.000 0.149 0.000 1.137 310 A HN 0.043 nan 8.150 nan 0.000 0.617 311 S N 0.641 116.400 115.700 0.098 0.000 2.548 311 S HA 0.504 4.974 4.470 -0.000 0.000 0.286 311 S C -0.917 173.757 174.600 0.123 0.000 1.098 311 S CA -0.582 57.690 58.200 0.120 0.000 0.930 311 S CB 1.187 64.373 63.200 -0.023 0.000 1.070 311 S HN 0.698 nan 8.310 nan 0.000 0.480 312 W N 4.174 125.503 121.300 0.049 0.000 2.342 312 W HA 0.539 5.199 4.660 -0.000 0.000 0.310 312 W C -1.792 174.589 176.519 -0.230 0.000 1.128 312 W CA -0.460 56.861 57.345 -0.041 0.000 1.322 312 W CB 0.497 30.037 29.460 0.134 0.000 1.251 312 W HN 0.328 nan 8.180 nan 0.000 0.439 313 V N 7.602 127.073 119.914 -0.737 0.000 2.459 313 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 313 V C -0.073 175.600 176.094 -0.702 0.000 1.029 313 V CA -0.364 61.461 62.300 -0.792 0.000 0.874 313 V CB 1.325 32.176 31.823 -1.620 0.000 0.985 313 V HN 0.679 nan 8.190 nan 0.000 0.438 314 H N 2.499 121.484 119.070 -0.142 0.000 2.948 314 H HA 0.897 5.453 4.556 -0.000 0.000 0.315 314 H C -1.314 174.261 175.328 0.413 0.000 1.360 314 H CA -1.275 54.807 56.048 0.058 0.000 1.125 314 H CB 2.177 31.983 29.762 0.074 0.000 1.844 314 H HN 0.443 nan 8.280 nan 0.000 0.529 315 K N 0.906 121.419 120.400 0.188 0.000 2.570 315 K HA 0.291 4.611 4.320 -0.000 0.000 0.256 315 K C -1.524 175.190 176.600 0.191 0.000 0.939 315 K CA -0.296 56.056 56.287 0.107 0.000 0.833 315 K CB 2.629 35.178 32.500 0.082 0.000 1.318 315 K HN 0.812 nan 8.250 nan 0.000 0.433 316 T N 1.148 115.826 114.554 0.207 0.000 2.927 316 T HA 0.864 5.214 4.350 -0.000 0.000 0.281 316 T C -0.429 174.377 174.700 0.176 0.000 0.998 316 T CA -0.049 62.222 62.100 0.285 0.000 1.019 316 T CB 0.859 69.807 68.868 0.133 0.000 1.061 316 T HN 0.683 nan 8.240 nan 0.000 0.518 317 G N 0.459 109.364 108.800 0.175 0.000 2.733 317 G HA2 0.744 4.704 3.960 -0.000 0.000 0.297 317 G HA3 0.744 4.704 3.960 -0.000 0.000 0.297 317 G C -1.568 173.418 174.900 0.144 0.000 1.422 317 G CA -0.206 44.993 45.100 0.166 0.000 0.942 317 G HN 0.994 nan 8.290 nan 0.000 0.510 318 A N 0.411 123.313 122.820 0.136 0.000 2.594 318 A HA 0.982 5.302 4.320 -0.000 0.000 0.295 318 A C -0.013 177.648 177.584 0.127 0.000 1.071 318 A CA 0.097 52.216 52.037 0.137 0.000 0.685 318 A CB 1.686 20.733 19.000 0.078 0.000 1.285 318 A HN 1.866 nan 8.150 nan 0.000 0.405 319 T N -2.249 112.417 114.554 0.186 0.000 2.693 319 T HA 0.636 4.986 4.350 -0.000 0.000 0.278 319 T C 1.283 176.083 174.700 0.167 0.000 0.994 319 T CA 0.177 62.365 62.100 0.146 0.000 1.033 319 T CB 0.957 69.959 68.868 0.224 0.000 1.342 319 T HN 1.545 nan 8.240 nan 0.000 0.538 320 G N -0.440 108.447 108.800 0.145 0.000 2.432 320 G HA2 0.194 4.154 3.960 -0.000 0.000 0.219 320 G HA3 0.194 4.154 3.960 -0.000 0.000 0.219 320 G C 1.138 176.125 174.900 0.146 0.000 1.135 320 G CA 0.578 45.750 45.100 0.119 0.000 0.767 320 G HN 1.161 nan 8.290 nan 0.000 0.550 321 G N -1.306 107.628 108.800 0.224 0.000 3.377 321 G HA2 0.483 4.443 3.960 -0.000 0.000 0.257 321 G HA3 0.483 4.443 3.960 -0.000 0.000 0.257 321 G C -0.438 174.445 174.900 -0.028 0.000 1.038 321 G CA -0.444 44.708 45.100 0.087 0.000 0.809 321 G HN 0.184 nan 8.290 nan 0.000 0.526 322 F N -0.581 119.493 119.950 0.207 0.000 2.599 322 F HA 0.701 5.228 4.527 0.000 0.000 0.311 322 F C 0.275 176.205 175.800 0.216 0.000 1.076 322 F CA -1.088 57.071 58.000 0.266 0.000 0.937 322 F CB 2.454 41.633 39.000 0.298 0.000 1.282 322 F HN 0.014 nan 8.300 nan 0.000 0.460 323 G N 0.809 109.875 108.800 0.443 0.000 2.723 323 G HA2 0.587 4.547 3.960 -0.000 0.000 0.295 323 G HA3 0.587 4.547 3.960 -0.000 0.000 0.295 323 G C -1.651 173.410 174.900 0.269 0.000 1.464 323 G CA -0.601 44.643 45.100 0.240 0.000 1.012 323 G HN 0.559 nan 8.290 nan 0.000 0.522 324 S N 0.238 116.069 115.700 0.219 0.000 2.599 324 S HA 0.810 5.280 4.470 -0.000 0.000 0.294 324 S C -1.691 173.093 174.600 0.307 0.000 1.094 324 S CA -0.649 57.700 58.200 0.248 0.000 0.931 324 S CB 2.053 65.395 63.200 0.236 0.000 1.093 324 S HN 0.684 nan 8.310 nan 0.000 0.488 325 Y N 0.995 121.394 120.300 0.165 0.000 2.480 325 Y HA 0.534 5.084 4.550 -0.000 0.000 0.329 325 Y C -1.661 174.383 175.900 0.241 0.000 1.127 325 Y CA -1.037 57.175 58.100 0.188 0.000 1.037 325 Y CB 1.182 39.752 38.460 0.183 0.000 1.320 325 Y HN 0.609 nan 8.280 nan 0.000 0.446 326 V N 1.955 121.687 119.914 -0.303 0.000 2.623 326 V HA 1.058 5.178 4.120 -0.000 0.000 0.304 326 V C -1.027 174.845 176.094 -0.369 0.000 1.054 326 V CA -0.411 61.817 62.300 -0.121 0.000 0.882 326 V CB 1.007 33.008 31.823 0.295 0.000 1.002 326 V HN 1.313 nan 8.190 nan 0.000 0.424 327 A N 4.861 127.469 122.820 -0.354 0.000 2.486 327 A HA 1.066 5.386 4.320 -0.000 0.000 0.300 327 A C -1.093 176.207 177.584 -0.474 0.000 1.048 327 A CA -0.605 51.071 52.037 -0.602 0.000 0.696 327 A CB 1.881 20.372 19.000 -0.847 0.000 1.278 327 A HN 2.120 nan 8.150 nan 0.000 0.405 328 F N -0.711 118.784 119.950 -0.758 0.000 2.668 328 F HA 0.826 5.353 4.527 -0.000 0.000 0.309 328 F C -1.432 174.016 175.800 -0.586 0.000 1.117 328 F CA -1.239 56.400 58.000 -0.601 0.000 0.951 328 F CB 1.316 40.027 39.000 -0.482 0.000 1.323 328 F HN 0.312 nan 8.300 nan 0.000 0.451 329 I N 2.415 122.819 120.570 -0.275 0.000 2.466 329 I HA 0.309 4.479 4.170 -0.000 0.000 0.279 329 I C -2.166 173.855 176.117 -0.160 0.000 1.033 329 I CA -1.871 59.236 61.300 -0.321 0.000 1.123 329 I CB 1.864 39.534 38.000 -0.549 0.000 1.237 329 I HN 0.374 nan 8.210 nan 0.000 0.460 330 P HA -0.225 nan 4.420 nan 0.000 0.215 330 P C 1.467 178.706 177.300 -0.102 0.000 1.157 330 P CA 1.288 64.353 63.100 -0.058 0.000 0.874 330 P CB 0.333 32.010 31.700 -0.039 0.000 0.790 331 E N 0.006 120.145 120.200 -0.101 0.000 2.097 331 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 331 E C 1.231 177.762 176.600 -0.115 0.000 1.000 331 E CA 1.243 57.591 56.400 -0.086 0.000 0.804 331 E CB -0.141 29.531 29.700 -0.047 0.000 0.740 331 E HN 0.057 nan 8.360 nan 0.000 0.454 332 K N 0.351 120.649 120.400 -0.171 0.000 2.444 332 K HA 0.000 4.320 4.320 -0.000 0.000 0.193 332 K C -0.177 176.310 176.600 -0.189 0.000 1.024 332 K CA 0.452 56.627 56.287 -0.187 0.000 1.077 332 K CB 0.227 32.573 32.500 -0.257 0.000 0.833 332 K HN 0.251 nan 8.250 nan 0.000 0.517 333 E N 0.553 120.652 120.200 -0.170 0.000 2.360 333 E HA -0.230 4.120 4.350 -0.000 0.000 0.238 333 E C -0.598 175.903 176.600 -0.165 0.000 1.186 333 E CA 0.221 56.519 56.400 -0.169 0.000 0.719 333 E CB -1.675 27.919 29.700 -0.178 0.000 1.236 333 E HN 0.065 nan 8.360 nan 0.000 0.386 334 L N -0.380 120.752 121.223 -0.151 0.000 2.408 334 L HA 0.823 5.163 4.340 -0.000 0.000 0.268 334 L C 0.096 176.908 176.870 -0.097 0.000 0.986 334 L CA 0.223 55.000 54.840 -0.106 0.000 0.820 334 L CB 2.144 44.122 42.059 -0.136 0.000 1.303 334 L HN 0.089 nan 8.230 nan 0.000 0.411 335 G N 3.933 112.706 108.800 -0.046 0.000 2.608 335 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 335 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 335 G C -2.221 172.684 174.900 0.008 0.000 1.425 335 G CA -0.453 44.621 45.100 -0.044 0.000 0.787 335 G HN 0.808 nan 8.290 nan 0.000 0.484 336 I N -0.298 120.281 120.570 0.016 0.000 2.752 336 I HA 0.650 4.820 4.170 -0.000 0.000 0.295 336 I C -1.366 174.818 176.117 0.111 0.000 1.219 336 I CA -0.980 60.373 61.300 0.088 0.000 1.030 336 I CB 2.311 40.385 38.000 0.123 0.000 1.259 336 I HN 0.386 nan 8.210 nan 0.000 0.423 337 V N 7.260 127.276 119.914 0.170 0.000 2.588 337 V HA 0.529 4.649 4.120 -0.000 0.000 0.304 337 V C -0.475 175.754 176.094 0.225 0.000 1.042 337 V CA -0.442 61.977 62.300 0.198 0.000 0.877 337 V CB 1.816 33.770 31.823 0.218 0.000 0.996 337 V HN 0.646 nan 8.190 nan 0.000 0.425 338 M N 6.065 125.808 119.600 0.238 0.000 2.134 338 M HA 0.601 5.081 4.480 -0.000 0.000 0.310 338 M C -1.313 175.086 176.300 0.165 0.000 0.966 338 M CA -0.137 55.300 55.300 0.229 0.000 0.922 338 M CB 1.840 34.622 32.600 0.303 0.000 1.537 338 M HN 0.395 nan 8.290 nan 0.000 0.424 339 L N 2.983 124.204 121.223 -0.003 0.000 2.325 339 L HA 0.957 5.297 4.340 -0.000 0.000 0.281 339 L C -0.416 176.297 176.870 -0.261 0.000 1.004 339 L CA -0.696 53.997 54.840 -0.245 0.000 0.823 339 L CB 1.730 43.304 42.059 -0.808 0.000 1.236 339 L HN 0.784 nan 8.230 nan 0.000 0.415 340 A N 2.031 124.950 122.820 0.165 0.000 2.435 340 A HA 0.589 4.909 4.320 -0.000 0.000 0.304 340 A C -0.289 177.649 177.584 0.591 0.000 1.064 340 A CA -0.742 51.526 52.037 0.385 0.000 0.727 340 A CB 1.256 20.487 19.000 0.384 0.000 1.284 340 A HN 0.753 nan 8.150 nan 0.000 0.415 341 N N 1.150 120.139 118.700 0.483 0.000 2.575 341 N HA 0.159 4.899 4.740 -0.000 0.000 0.275 341 N C -0.447 175.060 175.510 -0.005 0.000 1.202 341 N CA -0.078 52.973 53.050 0.001 0.000 0.945 341 N CB 0.230 38.689 38.487 -0.046 0.000 1.247 341 N HN 0.595 nan 8.380 nan 0.000 0.510 342 K N 0.168 120.659 120.400 0.153 0.000 2.523 342 K HA 0.211 4.531 4.320 -0.000 0.000 0.257 342 K C -1.612 175.166 176.600 0.296 0.000 0.932 342 K CA -0.607 55.788 56.287 0.179 0.000 0.812 342 K CB 1.841 34.444 32.500 0.172 0.000 1.326 342 K HN 0.173 nan 8.250 nan 0.000 0.433 343 N N 3.906 122.743 118.700 0.227 0.000 2.439 343 N HA 0.104 4.844 4.740 -0.000 0.000 0.243 343 N C -1.197 174.434 175.510 0.201 0.000 1.088 343 N CA -0.421 52.745 53.050 0.193 0.000 0.940 343 N CB 0.316 38.883 38.487 0.133 0.000 1.180 343 N HN 0.386 nan 8.380 nan 0.000 0.505 344 Y N 2.087 122.428 120.300 0.068 0.000 2.567 344 Y HA 0.694 5.244 4.550 -0.000 0.000 0.333 344 Y C -2.713 173.205 175.900 0.029 0.000 1.106 344 Y CA -3.436 54.688 58.100 0.040 0.000 1.157 344 Y CB -0.564 37.914 38.460 0.030 0.000 1.277 344 Y HN 0.363 nan 8.280 nan 0.000 0.490 345 P HA 0.018 nan 4.420 nan 0.000 0.262 345 P C 0.084 177.275 177.300 -0.181 0.000 1.182 345 P CA 0.329 63.391 63.100 -0.062 0.000 0.761 345 P CB 0.718 32.428 31.700 0.016 0.000 0.795 346 N N 4.432 123.025 118.700 -0.178 0.000 2.104 346 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 346 N C -0.874 174.535 175.510 -0.169 0.000 1.024 346 N CA 1.762 54.687 53.050 -0.208 0.000 0.853 346 N CB -1.818 36.577 38.487 -0.153 0.000 1.008 346 N HN 0.447 nan 8.380 nan 0.000 0.424 347 P HA -0.061 nan 4.420 nan 0.000 0.218 347 P C 1.001 178.278 177.300 -0.038 0.000 1.148 347 P CA 1.433 64.491 63.100 -0.070 0.000 0.822 347 P CB -0.046 31.625 31.700 -0.048 0.000 0.784 348 A N -0.153 122.670 122.820 0.005 0.000 1.930 348 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 348 A C 2.200 179.855 177.584 0.118 0.000 1.175 348 A CA 1.270 53.361 52.037 0.090 0.000 0.627 348 A CB -0.874 18.244 19.000 0.196 0.000 0.815 348 A HN 0.102 nan 8.150 nan 0.000 0.443 349 R N -0.606 119.910 120.500 0.027 0.000 2.066 349 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 349 R C 2.007 178.237 176.300 -0.117 0.000 1.131 349 R CA 1.506 57.597 56.100 -0.016 0.000 0.955 349 R CB -0.679 29.459 30.300 -0.269 0.000 0.851 349 R HN 0.371 nan 8.270 nan 0.000 0.432 350 V N 1.689 121.445 119.914 -0.264 0.000 2.358 350 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 350 V C 1.968 178.144 176.094 0.137 0.000 1.047 350 V CA 2.157 64.361 62.300 -0.160 0.000 1.035 350 V CB -0.600 31.146 31.823 -0.128 0.000 0.658 350 V HN 0.336 nan 8.190 nan 0.000 0.452 351 D N 0.606 121.057 120.400 0.086 0.000 2.104 351 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 351 D C 2.097 178.540 176.300 0.239 0.000 0.994 351 D CA 1.710 55.800 54.000 0.149 0.000 0.830 351 D CB -0.169 40.677 40.800 0.077 0.000 0.959 351 D HN 0.360 nan 8.370 nan 0.000 0.452 352 A N 0.435 123.368 122.820 0.188 0.000 1.902 352 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 352 A C 2.414 180.152 177.584 0.256 0.000 1.181 352 A CA 2.221 54.368 52.037 0.183 0.000 0.623 352 A CB -1.180 17.901 19.000 0.135 0.000 0.818 352 A HN 0.360 nan 8.150 nan 0.000 0.443 353 A N -1.661 121.376 122.820 0.361 0.000 1.902 353 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 353 A C 2.011 179.930 177.584 0.559 0.000 1.181 353 A CA 1.590 53.924 52.037 0.494 0.000 0.623 353 A CB -0.906 18.576 19.000 0.803 0.000 0.818 353 A HN 0.843 nan 8.150 nan 0.000 0.443 354 W N 0.615 122.172 121.300 0.428 0.000 2.388 354 W HA -0.160 4.500 4.660 -0.000 0.000 0.294 354 W C 2.375 179.039 176.519 0.242 0.000 1.212 354 W CA 1.902 59.455 57.345 0.348 0.000 1.271 354 W CB -0.188 29.309 29.460 0.061 0.000 1.126 354 W HN 0.455 nan 8.180 nan 0.000 0.535 355 Q N -0.002 119.957 119.800 0.266 0.000 2.096 355 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 355 Q C 2.168 178.131 176.000 -0.062 0.000 0.982 355 Q CA 2.273 58.104 55.803 0.047 0.000 0.850 355 Q CB -0.522 28.299 28.738 0.138 0.000 0.901 355 Q HN 0.404 nan 8.270 nan 0.000 0.422 356 I N 0.446 121.035 120.570 0.032 0.000 2.163 356 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 356 I C 2.189 178.294 176.117 -0.020 0.000 1.081 356 I CA 1.106 62.411 61.300 0.008 0.000 1.353 356 I CB -0.241 37.790 38.000 0.051 0.000 1.054 356 I HN 0.198 nan 8.210 nan 0.000 0.407 357 L N 0.240 121.476 121.223 0.022 0.000 2.093 357 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 357 L C 2.258 179.068 176.870 -0.101 0.000 1.085 357 L CA 1.335 56.172 54.840 -0.005 0.000 0.755 357 L CB -0.827 41.280 42.059 0.081 0.000 0.904 357 L HN 0.336 nan 8.230 nan 0.000 0.435 358 N N 0.519 119.032 118.700 -0.311 0.000 2.223 358 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 358 N C 1.763 177.163 175.510 -0.183 0.000 1.016 358 N CA 1.345 54.172 53.050 -0.372 0.000 0.863 358 N CB 0.028 37.819 38.487 -1.160 0.000 0.983 358 N HN 0.275 nan 8.380 nan 0.000 0.429 359 A N -0.107 122.614 122.820 -0.166 0.000 1.969 359 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 359 A C 2.040 179.606 177.584 -0.032 0.000 1.169 359 A CA 0.866 52.855 52.037 -0.081 0.000 0.635 359 A CB -0.400 18.556 19.000 -0.074 0.000 0.810 359 A HN 0.352 nan 8.150 nan 0.000 0.445 360 L N -0.469 120.746 121.223 -0.013 0.000 2.477 360 L HA 0.049 4.389 4.340 -0.000 0.000 0.220 360 L C 1.323 178.276 176.870 0.139 0.000 1.106 360 L CA -0.098 54.780 54.840 0.064 0.000 0.851 360 L CB -0.356 41.748 42.059 0.075 0.000 0.994 360 L HN 0.573 nan 8.230 nan 0.000 0.462 361 Q N 0.000 119.837 119.800 0.061 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.831 55.803 0.046 0.000 1.022 361 Q CB 0.000 28.744 28.738 0.011 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481