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 3bm6_1_A 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 INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.548 177.584 -0.060 0.000 1.274 4 A CA 0.000 52.066 52.037 0.047 0.000 0.836 4 A CB 0.000 19.043 19.000 0.071 0.000 0.831 5 P HA 0.059 nan 4.420 nan 0.000 0.264 5 P C 1.063 178.290 177.300 -0.121 0.000 1.179 5 P CA 0.114 63.114 63.100 -0.167 0.000 0.763 5 P CB 0.615 32.138 31.700 -0.295 0.000 0.806 6 Q N 1.420 121.178 119.800 -0.071 0.000 2.124 6 Q HA -0.287 4.053 4.340 -0.000 0.000 0.202 6 Q C 1.929 177.891 176.000 -0.062 0.000 0.977 6 Q CA 1.404 57.184 55.803 -0.038 0.000 0.850 6 Q CB -0.046 28.677 28.738 -0.025 0.000 0.901 6 Q HN 0.444 nan 8.270 nan 0.000 0.429 7 Q N 0.754 120.487 119.800 -0.111 0.000 2.029 7 Q HA -0.210 4.130 4.340 -0.000 0.000 0.209 7 Q C 1.704 177.608 176.000 -0.160 0.000 0.999 7 Q CA 2.272 57.992 55.803 -0.137 0.000 0.857 7 Q CB -0.370 28.252 28.738 -0.193 0.000 0.926 7 Q HN 0.550 nan 8.270 nan 0.000 0.415 8 I N 0.066 120.494 120.570 -0.236 0.000 2.252 8 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 8 I C 2.245 178.318 176.117 -0.073 0.000 1.102 8 I CA 1.244 62.420 61.300 -0.208 0.000 1.385 8 I CB -0.516 37.291 38.000 -0.322 0.000 1.064 8 I HN 0.368 nan 8.210 nan 0.000 0.414 9 N N 1.192 119.916 118.700 0.039 0.000 2.069 9 N HA -0.233 4.507 4.740 -0.000 0.000 0.191 9 N C 1.511 177.106 175.510 0.142 0.000 1.031 9 N CA 1.903 55.071 53.050 0.197 0.000 0.852 9 N CB 0.003 38.618 38.487 0.214 0.000 1.018 9 N HN 0.205 nan 8.380 nan 0.000 0.423 10 D N 0.056 120.487 120.400 0.052 0.000 2.084 10 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 10 D C 1.942 178.251 176.300 0.015 0.000 0.985 10 D CA 0.763 54.788 54.000 0.043 0.000 0.826 10 D CB -0.493 40.312 40.800 0.008 0.000 0.978 10 D HN 0.333 nan 8.370 nan 0.000 0.456 11 I N 0.900 121.446 120.570 -0.039 0.000 2.208 11 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 11 I C 2.203 178.267 176.117 -0.089 0.000 1.097 11 I CA 0.998 62.264 61.300 -0.057 0.000 1.363 11 I CB -0.188 37.767 38.000 -0.076 0.000 1.051 11 I HN -0.188 nan 8.210 nan 0.000 0.413 12 V N 0.321 120.125 119.914 -0.182 0.000 2.261 12 V HA -0.348 3.772 4.120 -0.000 0.000 0.246 12 V C 2.420 178.368 176.094 -0.242 0.000 1.047 12 V CA 2.515 64.619 62.300 -0.327 0.000 1.015 12 V CB -1.167 30.145 31.823 -0.852 0.000 0.642 12 V HN 0.494 nan 8.190 nan 0.000 0.446 13 H N -0.263 118.762 119.070 -0.075 0.000 2.389 13 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 13 H C 2.517 177.854 175.328 0.015 0.000 1.081 13 H CA 1.510 57.602 56.048 0.074 0.000 1.345 13 H CB -0.089 29.749 29.762 0.126 0.000 1.393 13 H HN 0.271 nan 8.280 nan 0.000 0.520 14 R N -0.526 120.031 120.500 0.095 0.000 2.115 14 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 14 R C 1.820 178.119 176.300 -0.003 0.000 1.111 14 R CA 1.719 57.845 56.100 0.044 0.000 0.976 14 R CB -0.002 30.315 30.300 0.028 0.000 0.870 14 R HN 0.301 nan 8.270 nan 0.000 0.445 15 T N 0.931 115.464 114.554 -0.035 0.000 2.814 15 T HA 0.031 4.381 4.350 -0.000 0.000 0.254 15 T C 1.795 176.427 174.700 -0.113 0.000 1.037 15 T CA 0.619 62.688 62.100 -0.052 0.000 1.143 15 T CB 0.057 68.900 68.868 -0.042 0.000 0.866 15 T HN -0.003 nan 8.240 nan 0.000 0.431 16 I N 2.053 122.499 120.570 -0.206 0.000 2.252 16 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 16 I C 2.616 178.465 176.117 -0.445 0.000 1.102 16 I CA 1.378 62.434 61.300 -0.407 0.000 1.385 16 I CB -1.994 35.551 38.000 -0.759 0.000 1.064 16 I HN 0.246 nan 8.210 nan 0.000 0.414 17 T N 2.095 116.474 114.554 -0.291 0.000 2.665 17 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 17 T C -0.193 174.420 174.700 -0.144 0.000 1.035 17 T CA 1.880 63.869 62.100 -0.184 0.000 1.151 17 T CB -1.206 67.676 68.868 0.022 0.000 0.862 17 T HN 0.254 nan 8.240 nan 0.000 0.438 18 P HA 0.029 nan 4.420 nan 0.000 0.217 18 P C 1.628 178.865 177.300 -0.106 0.000 1.151 18 P CA 0.401 63.456 63.100 -0.075 0.000 0.828 18 P CB -0.145 31.529 31.700 -0.044 0.000 0.788 19 L N -0.287 120.850 121.223 -0.144 0.000 1.989 19 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 19 L C 2.167 178.896 176.870 -0.235 0.000 1.071 19 L CA 1.902 56.641 54.840 -0.170 0.000 0.749 19 L CB -1.300 40.647 42.059 -0.187 0.000 0.890 19 L HN -0.132 nan 8.230 nan 0.000 0.431 20 I N -0.169 120.230 120.570 -0.285 0.000 2.264 20 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 20 I C 2.523 178.542 176.117 -0.164 0.000 1.111 20 I CA 1.814 62.954 61.300 -0.267 0.000 1.382 20 I CB -0.411 37.405 38.000 -0.306 0.000 1.060 20 I HN 0.535 nan 8.210 nan 0.000 0.418 21 E N 0.824 120.951 120.200 -0.123 0.000 2.046 21 E HA -0.212 4.138 4.350 -0.000 0.000 0.190 21 E C 2.298 178.860 176.600 -0.064 0.000 0.982 21 E CA 1.199 57.556 56.400 -0.071 0.000 0.800 21 E CB -0.596 29.077 29.700 -0.045 0.000 0.756 21 E HN 0.490 nan 8.360 nan 0.000 0.449 22 Q N 1.271 121.029 119.800 -0.070 0.000 2.050 22 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 22 Q C 2.137 178.106 176.000 -0.051 0.000 0.980 22 Q CA 1.872 57.646 55.803 -0.048 0.000 0.840 22 Q CB -0.899 27.815 28.738 -0.039 0.000 0.898 22 Q HN 0.352 nan 8.270 nan 0.000 0.424 23 Q N -1.337 118.407 119.800 -0.094 0.000 2.403 23 Q HA 0.172 4.512 4.340 -0.000 0.000 0.203 23 Q C 0.918 176.869 176.000 -0.082 0.000 0.932 23 Q CA 1.125 56.872 55.803 -0.092 0.000 0.945 23 Q CB 0.130 28.738 28.738 -0.217 0.000 1.045 23 Q HN 0.898 nan 8.270 nan 0.000 0.511 24 K N 0.882 121.234 120.400 -0.081 0.000 3.096 24 K HA -0.189 4.131 4.320 -0.000 0.000 0.266 24 K C 0.024 176.586 176.600 -0.063 0.000 1.043 24 K CA 1.004 57.256 56.287 -0.058 0.000 0.758 24 K CB -2.890 29.590 32.500 -0.033 0.000 1.260 24 K HN 0.396 nan 8.250 nan 0.000 0.481 25 I N 0.058 120.567 120.570 -0.102 0.000 2.396 25 I HA 0.117 4.287 4.170 -0.000 0.000 0.289 25 I C -0.858 175.253 176.117 -0.010 0.000 1.056 25 I CA -2.176 59.078 61.300 -0.077 0.000 1.365 25 I CB 1.606 39.498 38.000 -0.180 0.000 1.407 25 I HN 0.162 nan 8.210 nan 0.000 0.509 26 P HA -0.043 nan 4.420 nan 0.000 0.216 26 P C 0.384 177.782 177.300 0.163 0.000 1.153 26 P CA 0.562 63.682 63.100 0.033 0.000 0.848 26 P CB 0.278 31.910 31.700 -0.114 0.000 0.787 27 G N -1.766 107.167 108.800 0.223 0.000 2.718 27 G HA2 0.707 4.667 3.960 -0.000 0.000 0.295 27 G HA3 0.707 4.667 3.960 -0.000 0.000 0.295 27 G C -1.672 173.481 174.900 0.421 0.000 1.421 27 G CA -0.334 44.961 45.100 0.324 0.000 0.902 27 G HN -0.105 nan 8.290 nan 0.000 0.501 28 M N 0.003 119.892 119.600 0.482 0.000 2.520 28 M HA 0.664 5.144 4.480 -0.000 0.000 0.280 28 M C -1.202 175.439 176.300 0.568 0.000 1.232 28 M CA -0.748 54.820 55.300 0.447 0.000 0.892 28 M CB 2.765 35.504 32.600 0.232 0.000 1.728 28 M HN 0.924 nan 8.290 nan 0.000 0.475 29 A N 1.965 124.991 122.820 0.344 0.000 2.422 29 A HA 0.882 5.202 4.320 -0.000 0.000 0.302 29 A C -1.689 176.097 177.584 0.336 0.000 1.041 29 A CA -0.580 51.670 52.037 0.354 0.000 0.708 29 A CB 1.681 20.810 19.000 0.215 0.000 1.257 29 A HN 0.533 nan 8.150 nan 0.000 0.414 30 V N 0.555 120.763 119.914 0.489 0.000 2.789 30 V HA 0.867 4.987 4.120 -0.000 0.000 0.311 30 V C 0.012 176.381 176.094 0.458 0.000 1.073 30 V CA -0.183 62.384 62.300 0.445 0.000 0.921 30 V CB 1.962 34.086 31.823 0.503 0.000 1.009 30 V HN 1.591 nan 8.190 nan 0.000 0.426 31 A N 3.286 126.305 122.820 0.331 0.000 2.374 31 A HA 0.880 5.200 4.320 -0.000 0.000 0.305 31 A C -1.264 176.429 177.584 0.183 0.000 1.053 31 A CA -0.533 51.632 52.037 0.213 0.000 0.726 31 A CB 1.852 20.931 19.000 0.132 0.000 1.229 31 A HN 0.678 nan 8.150 nan 0.000 0.431 32 V N 3.188 123.226 119.914 0.207 0.000 2.417 32 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 32 V C -0.791 175.410 176.094 0.177 0.000 1.024 32 V CA -0.339 62.080 62.300 0.198 0.000 0.861 32 V CB 1.401 33.371 31.823 0.245 0.000 0.985 32 V HN 0.714 nan 8.190 nan 0.000 0.436 33 I N 5.658 126.292 120.570 0.107 0.000 2.307 33 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 33 I C -0.663 175.546 176.117 0.154 0.000 1.021 33 I CA -0.263 61.079 61.300 0.070 0.000 1.224 33 I CB 0.575 38.548 38.000 -0.044 0.000 1.376 33 I HN 0.574 nan 8.210 nan 0.000 0.470 34 Y N 5.703 126.076 120.300 0.122 0.000 2.328 34 Y HA 0.494 5.044 4.550 0.000 0.000 0.333 34 Y C 0.671 176.620 175.900 0.082 0.000 0.958 34 Y CA -0.275 57.883 58.100 0.096 0.000 1.167 34 Y CB 1.216 39.742 38.460 0.110 0.000 1.151 34 Y HN 0.722 nan 8.280 nan 0.000 0.470 35 Q N 3.179 122.700 119.800 -0.466 0.000 2.481 35 Q HA -0.138 4.202 4.340 -0.000 0.000 0.272 35 Q C 1.397 177.304 176.000 -0.155 0.000 1.157 35 Q CA 1.886 57.473 55.803 -0.359 0.000 0.935 35 Q CB -2.695 25.797 28.738 -0.410 0.000 1.338 35 Q HN 2.511 nan 8.270 nan 0.000 0.494 36 G N -4.180 104.547 108.800 -0.122 0.000 2.225 36 G HA2 0.275 4.235 3.960 -0.000 0.000 0.254 36 G HA3 0.275 4.235 3.960 -0.000 0.000 0.254 36 G C 0.540 175.388 174.900 -0.086 0.000 0.988 36 G CA 1.480 46.518 45.100 -0.104 0.000 0.625 36 G HN 2.342 nan 8.290 nan 0.000 0.527 37 K N 1.487 121.858 120.400 -0.049 0.000 2.138 37 K HA 0.863 5.183 4.320 -0.000 0.000 0.263 37 K C -2.537 173.911 176.600 -0.254 0.000 0.965 37 K CA -1.332 54.865 56.287 -0.150 0.000 0.868 37 K CB 1.704 34.115 32.500 -0.148 0.000 1.083 37 K HN 0.303 nan 8.250 nan 0.000 0.443 38 P HA 0.487 nan 4.420 nan 0.000 0.290 38 P C -1.458 175.266 177.300 -0.961 0.000 1.275 38 P CA -0.443 62.333 63.100 -0.540 0.000 0.841 38 P CB 0.605 32.016 31.700 -0.481 0.000 1.042 39 Y N 0.932 120.917 120.300 -0.525 0.000 2.373 39 Y HA 0.413 4.963 4.550 -0.000 0.000 0.336 39 Y C -0.065 175.428 175.900 -0.677 0.000 0.979 39 Y CA -0.556 57.243 58.100 -0.502 0.000 1.080 39 Y CB 1.700 40.043 38.460 -0.196 0.000 1.190 39 Y HN 0.282 nan 8.280 nan 0.000 0.446 40 Y N 2.417 122.524 120.300 -0.322 0.000 2.419 40 Y HA 0.732 5.282 4.550 0.000 0.000 0.328 40 Y C -0.852 174.581 175.900 -0.777 0.000 1.162 40 Y CA -1.314 56.592 58.100 -0.325 0.000 1.174 40 Y CB 1.356 39.717 38.460 -0.164 0.000 1.228 40 Y HN 0.380 nan 8.280 nan 0.000 0.473 41 F N -0.118 119.884 119.950 0.086 0.000 2.596 41 F HA 0.602 5.128 4.527 -0.000 0.000 0.311 41 F C -0.445 175.107 175.800 -0.414 0.000 1.116 41 F CA -0.938 56.892 58.000 -0.282 0.000 0.957 41 F CB 2.442 41.217 39.000 -0.376 0.000 1.250 41 F HN 0.435 nan 8.300 nan 0.000 0.444 42 T N -1.533 112.702 114.554 -0.533 0.000 2.903 42 T HA 0.699 5.049 4.350 -0.000 0.000 0.299 42 T C -1.575 172.868 174.700 -0.428 0.000 1.093 42 T CA -0.785 61.171 62.100 -0.241 0.000 1.002 42 T CB 2.032 70.887 68.868 -0.021 0.000 1.127 42 T HN 0.615 nan 8.240 nan 0.000 0.488 43 W N 0.016 121.394 121.300 0.130 0.000 3.167 43 W HA 0.502 5.162 4.660 -0.000 0.000 0.324 43 W C 0.816 177.355 176.519 0.033 0.000 1.230 43 W CA -0.278 57.113 57.345 0.077 0.000 1.184 43 W CB 1.615 31.124 29.460 0.081 0.000 1.414 43 W HN 1.374 nan 8.180 nan 0.000 0.551 44 G N 1.159 110.063 108.800 0.172 0.000 2.575 44 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.267 44 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.267 44 G C -1.497 173.238 174.900 -0.276 0.000 1.264 44 G CA -0.001 45.088 45.100 -0.019 0.000 0.935 44 G HN 0.495 nan 8.290 nan 0.000 0.568 45 Y N -0.075 120.309 120.300 0.140 0.000 2.446 45 Y HA 0.611 5.161 4.550 0.000 0.000 0.338 45 Y C 1.346 177.344 175.900 0.163 0.000 1.055 45 Y CA 0.047 58.223 58.100 0.126 0.000 1.101 45 Y CB 1.958 40.460 38.460 0.069 0.000 1.221 45 Y HN 0.789 nan 8.280 nan 0.000 0.460 46 A N 0.518 123.522 122.820 0.306 0.000 1.997 46 A HA 0.046 4.366 4.320 -0.000 0.000 0.212 46 A C 0.081 177.886 177.584 0.368 0.000 1.178 46 A CA 0.950 53.132 52.037 0.240 0.000 0.698 46 A CB 0.177 19.254 19.000 0.127 0.000 0.842 46 A HN 0.645 nan 8.150 nan 0.000 0.458 47 D N -0.737 119.900 120.400 0.394 0.000 2.402 47 D HA 0.402 5.042 4.640 -0.000 0.000 0.252 47 D C 0.623 177.079 176.300 0.260 0.000 1.294 47 D CA -0.403 53.853 54.000 0.426 0.000 0.948 47 D CB 0.760 41.799 40.800 0.398 0.000 1.202 47 D HN 0.150 nan 8.370 nan 0.000 0.561 48 I N 2.219 122.893 120.570 0.173 0.000 2.142 48 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 48 I C 2.536 178.574 176.117 -0.132 0.000 1.078 48 I CA 1.178 62.402 61.300 -0.127 0.000 1.343 48 I CB -0.157 37.671 38.000 -0.286 0.000 1.046 48 I HN 0.439 nan 8.210 nan 0.000 0.405 49 A N 1.881 124.671 122.820 -0.050 0.000 1.884 49 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 49 A C 1.947 179.503 177.584 -0.047 0.000 1.197 49 A CA 2.381 54.376 52.037 -0.070 0.000 0.637 49 A CB -0.647 18.299 19.000 -0.091 0.000 0.827 49 A HN 0.606 nan 8.150 nan 0.000 0.450 50 K N -0.736 119.671 120.400 0.011 0.000 2.681 50 K HA 0.193 4.513 4.320 -0.000 0.000 0.211 50 K C -0.540 176.100 176.600 0.066 0.000 1.075 50 K CA -0.250 56.058 56.287 0.036 0.000 1.141 50 K CB 0.380 32.922 32.500 0.069 0.000 0.896 50 K HN 0.221 nan 8.250 nan 0.000 0.470 51 K N 0.536 120.944 120.400 0.014 0.000 3.100 51 K HA -0.191 4.129 4.320 -0.000 0.000 0.261 51 K C -0.793 176.020 176.600 0.355 0.000 0.920 51 K CA 0.990 57.331 56.287 0.089 0.000 0.683 51 K CB -1.898 30.649 32.500 0.078 0.000 1.349 51 K HN 0.498 nan 8.250 nan 0.000 0.473 52 Q N 0.743 120.740 119.800 0.329 0.000 2.295 52 Q HA 0.281 4.621 4.340 -0.000 0.000 0.259 52 Q C -1.885 174.291 176.000 0.294 0.000 0.976 52 Q CA -1.766 54.195 55.803 0.264 0.000 0.923 52 Q CB 1.105 29.965 28.738 0.202 0.000 1.185 52 Q HN 0.191 nan 8.270 nan 0.000 0.410 53 P HA 0.158 nan 4.420 nan 0.000 0.276 53 P C -0.323 176.994 177.300 0.029 0.000 1.252 53 P CA -0.470 62.599 63.100 -0.053 0.000 0.802 53 P CB 1.000 32.632 31.700 -0.113 0.000 1.035 54 V N 1.605 121.539 119.914 0.033 0.000 2.530 54 V HA 0.313 4.433 4.120 -0.000 0.000 0.282 54 V C 1.129 177.282 176.094 0.098 0.000 1.048 54 V CA 0.473 62.853 62.300 0.134 0.000 0.997 54 V CB 0.587 32.579 31.823 0.283 0.000 0.987 54 V HN 0.874 nan 8.190 nan 0.000 0.477 55 T N 1.381 115.998 114.554 0.105 0.000 2.742 55 T HA 0.355 4.705 4.350 -0.000 0.000 0.282 55 T C 0.439 175.174 174.700 0.059 0.000 1.025 55 T CA -0.732 61.396 62.100 0.046 0.000 1.020 55 T CB 1.619 70.490 68.868 0.005 0.000 1.317 55 T HN 0.424 nan 8.240 nan 0.000 0.538 56 Q N -0.381 119.394 119.800 -0.041 0.000 2.488 56 Q HA 0.012 4.352 4.340 -0.000 0.000 0.211 56 Q C 1.114 177.059 176.000 -0.092 0.000 0.967 56 Q CA 0.898 56.630 55.803 -0.119 0.000 0.926 56 Q CB -0.089 28.455 28.738 -0.324 0.000 0.992 56 Q HN 0.528 nan 8.270 nan 0.000 0.506 57 Q N -0.680 119.088 119.800 -0.052 0.000 2.247 57 Q HA 0.110 4.450 4.340 -0.000 0.000 0.211 57 Q C -0.266 175.751 176.000 0.028 0.000 0.861 57 Q CA 0.204 55.969 55.803 -0.063 0.000 0.949 57 Q CB 1.128 29.803 28.738 -0.105 0.000 1.115 57 Q HN 0.040 nan 8.270 nan 0.000 0.507 58 T N 1.106 115.716 114.554 0.093 0.000 2.870 58 T HA 0.255 4.605 4.350 -0.000 0.000 0.300 58 T C -0.039 174.734 174.700 0.121 0.000 0.989 58 T CA -0.055 62.089 62.100 0.074 0.000 1.139 58 T CB 0.352 69.239 68.868 0.032 0.000 0.920 58 T HN 0.148 nan 8.240 nan 0.000 0.537 59 L N 3.976 125.227 121.223 0.047 0.000 2.292 59 L HA 0.508 4.848 4.340 -0.000 0.000 0.284 59 L C -0.599 176.292 176.870 0.035 0.000 1.065 59 L CA -0.521 54.375 54.840 0.093 0.000 0.806 59 L CB 0.450 42.506 42.059 -0.006 0.000 1.175 59 L HN 0.542 nan 8.230 nan 0.000 0.431 60 F N 0.672 120.676 119.950 0.090 0.000 2.522 60 F HA 0.354 4.881 4.527 0.000 0.000 0.324 60 F C 0.378 175.990 175.800 -0.314 0.000 1.077 60 F CA -0.871 57.136 58.000 0.010 0.000 0.944 60 F CB 1.535 40.669 39.000 0.222 0.000 1.175 60 F HN 0.389 nan 8.300 nan 0.000 0.468 61 E N 3.083 122.813 120.200 -0.783 0.000 2.290 61 E HA 0.160 4.510 4.350 -0.000 0.000 0.277 61 E C 0.459 176.995 176.600 -0.106 0.000 1.035 61 E CA -0.055 56.055 56.400 -0.483 0.000 0.873 61 E CB 0.904 30.215 29.700 -0.649 0.000 1.029 61 E HN 0.632 nan 8.360 nan 0.000 0.419 62 L N 2.878 124.119 121.223 0.030 0.000 2.492 62 L HA 0.056 4.396 4.340 -0.000 0.000 0.223 62 L C 1.400 178.379 176.870 0.183 0.000 1.132 62 L CA 0.490 55.412 54.840 0.138 0.000 0.850 62 L CB -0.810 41.336 42.059 0.145 0.000 0.966 62 L HN 0.909 nan 8.230 nan 0.000 0.454 63 G N 0.399 109.310 108.800 0.186 0.000 2.574 63 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.286 63 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.286 63 G C 0.719 175.778 174.900 0.265 0.000 1.212 63 G CA 0.290 45.535 45.100 0.240 0.000 0.979 63 G HN 0.217 nan 8.290 nan 0.000 0.557 64 S N 0.017 115.873 115.700 0.261 0.000 2.603 64 S HA 0.128 4.598 4.470 -0.000 0.000 0.229 64 S C 2.187 176.923 174.600 0.228 0.000 0.972 64 S CA 1.015 59.380 58.200 0.276 0.000 0.935 64 S CB 0.163 63.566 63.200 0.339 0.000 0.769 64 S HN 0.742 nan 8.310 nan 0.000 0.536 65 V N 1.668 121.706 119.914 0.206 0.000 2.913 65 V HA -0.117 4.003 4.120 -0.000 0.000 0.260 65 V C 2.120 178.329 176.094 0.190 0.000 1.098 65 V CA 1.337 63.737 62.300 0.168 0.000 1.121 65 V CB -0.750 31.196 31.823 0.204 0.000 0.714 65 V HN 0.466 nan 8.190 nan 0.000 0.487 66 S N -0.143 115.699 115.700 0.238 0.000 2.400 66 S HA -0.230 4.240 4.470 -0.000 0.000 0.232 66 S C 1.920 176.676 174.600 0.259 0.000 1.025 66 S CA 1.281 59.653 58.200 0.288 0.000 0.993 66 S CB -0.261 63.045 63.200 0.177 0.000 0.808 66 S HN 0.628 nan 8.310 nan 0.000 0.478 67 K N 0.895 121.405 120.400 0.182 0.000 2.281 67 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 67 K C 2.416 179.049 176.600 0.054 0.000 1.046 67 K CA 1.611 57.989 56.287 0.152 0.000 0.938 67 K CB -0.460 32.161 32.500 0.200 0.000 0.737 67 K HN 0.630 nan 8.250 nan 0.000 0.458 68 T N -1.413 113.073 114.554 -0.115 0.000 2.857 68 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 68 T C 1.737 176.396 174.700 -0.068 0.000 1.048 68 T CA 0.721 62.557 62.100 -0.440 0.000 1.139 68 T CB -0.333 67.863 68.868 -1.120 0.000 0.874 68 T HN 0.008 nan 8.240 nan 0.000 0.455 69 F N 2.190 122.167 119.950 0.046 0.000 2.146 69 F HA 0.047 4.575 4.527 0.000 0.000 0.298 69 F C 3.021 178.873 175.800 0.087 0.000 1.096 69 F CA 1.337 59.329 58.000 -0.014 0.000 1.275 69 F CB -1.147 37.729 39.000 -0.207 0.000 1.008 69 F HN 0.122 nan 8.300 nan 0.000 0.480 70 T N -0.559 114.190 114.554 0.324 0.000 2.720 70 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 70 T C 2.339 177.234 174.700 0.326 0.000 1.037 70 T CA 1.474 63.785 62.100 0.352 0.000 1.144 70 T CB -1.021 68.042 68.868 0.325 0.000 0.864 70 T HN 0.447 nan 8.240 nan 0.000 0.444 71 G N 0.688 109.640 108.800 0.253 0.000 2.422 71 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 71 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 71 G C 1.679 176.744 174.900 0.274 0.000 1.146 71 G CA 0.712 45.959 45.100 0.246 0.000 0.769 71 G HN 0.442 nan 8.290 nan 0.000 0.547 72 V N 0.754 120.837 119.914 0.281 0.000 2.453 72 V HA -0.021 4.099 4.120 -0.000 0.000 0.247 72 V C 2.635 178.858 176.094 0.215 0.000 1.048 72 V CA 1.019 63.497 62.300 0.296 0.000 1.049 72 V CB -0.257 31.841 31.823 0.458 0.000 0.672 72 V HN 0.333 nan 8.190 nan 0.000 0.457 73 L N 0.509 121.834 121.223 0.170 0.000 2.046 73 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 73 L C 2.406 179.299 176.870 0.038 0.000 1.077 73 L CA 2.318 57.179 54.840 0.036 0.000 0.747 73 L CB -1.056 40.951 42.059 -0.087 0.000 0.896 73 L HN 0.449 nan 8.230 nan 0.000 0.432 74 G N -0.966 107.910 108.800 0.127 0.000 2.418 74 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 74 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 74 G C 1.474 176.479 174.900 0.174 0.000 1.158 74 G CA 0.646 45.816 45.100 0.117 0.000 0.771 74 G HN 0.545 nan 8.290 nan 0.000 0.545 75 G N 0.482 109.408 108.800 0.210 0.000 2.432 75 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 75 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 75 G C 1.414 176.378 174.900 0.107 0.000 1.135 75 G CA 1.319 46.521 45.100 0.169 0.000 0.767 75 G HN 0.535 nan 8.290 nan 0.000 0.550 76 D N 0.404 120.854 120.400 0.083 0.000 2.149 76 D HA 0.101 4.741 4.640 -0.000 0.000 0.201 76 D C 2.604 178.912 176.300 0.014 0.000 0.972 76 D CA 1.198 55.224 54.000 0.044 0.000 0.835 76 D CB -0.210 40.608 40.800 0.030 0.000 0.966 76 D HN 0.217 nan 8.370 nan 0.000 0.476 77 A N 0.013 122.829 122.820 -0.006 0.000 2.015 77 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 77 A C 2.252 179.831 177.584 -0.008 0.000 1.163 77 A CA 0.782 52.796 52.037 -0.038 0.000 0.646 77 A CB -0.636 18.304 19.000 -0.101 0.000 0.806 77 A HN 0.388 nan 8.150 nan 0.000 0.448 78 I N -0.447 120.140 120.570 0.028 0.000 2.233 78 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 78 I C 2.915 179.057 176.117 0.043 0.000 1.093 78 I CA 0.993 62.323 61.300 0.049 0.000 1.380 78 I CB -0.328 37.724 38.000 0.086 0.000 1.067 78 I HN 0.327 nan 8.210 nan 0.000 0.413 79 A N 0.763 123.609 122.820 0.042 0.000 2.019 79 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 79 A C 2.261 179.857 177.584 0.021 0.000 1.164 79 A CA 1.302 53.359 52.037 0.033 0.000 0.644 79 A CB -0.534 18.486 19.000 0.034 0.000 0.805 79 A HN 0.343 nan 8.150 nan 0.000 0.449 80 R N -1.330 119.178 120.500 0.013 0.000 2.313 80 R HA 0.161 4.501 4.340 -0.000 0.000 0.199 80 R C 1.280 177.585 176.300 0.010 0.000 0.958 80 R CA 0.501 56.604 56.100 0.004 0.000 1.047 80 R CB -0.175 30.119 30.300 -0.009 0.000 0.955 80 R HN 0.656 nan 8.270 nan 0.000 0.481 81 G N 1.318 110.129 108.800 0.019 0.000 2.179 81 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 81 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 81 G C 0.498 175.417 174.900 0.033 0.000 1.010 81 G CA 0.631 45.748 45.100 0.028 0.000 0.736 81 G HN 0.472 nan 8.290 nan 0.000 0.513 82 E N -0.728 119.484 120.200 0.020 0.000 2.230 82 E HA 0.270 4.620 4.350 -0.000 0.000 0.192 82 E C 1.541 178.172 176.600 0.052 0.000 0.987 82 E CA 1.103 57.516 56.400 0.022 0.000 0.841 82 E CB 0.251 29.939 29.700 -0.020 0.000 0.783 82 E HN 0.916 nan 8.360 nan 0.000 0.481 83 I N -2.895 117.694 120.570 0.031 0.000 3.279 83 I HA 0.534 4.704 4.170 -0.000 0.000 0.315 83 I C -1.523 174.649 176.117 0.092 0.000 1.225 83 I CA -1.304 60.031 61.300 0.057 0.000 0.947 83 I CB 2.274 40.165 38.000 -0.182 0.000 1.293 83 I HN -0.366 nan 8.210 nan 0.000 0.468 84 K N 1.429 121.913 120.400 0.140 0.000 2.501 84 K HA 0.507 4.827 4.320 -0.000 0.000 0.252 84 K C -0.028 176.649 176.600 0.129 0.000 0.934 84 K CA -0.686 55.674 56.287 0.121 0.000 0.797 84 K CB 2.689 35.260 32.500 0.117 0.000 1.270 84 K HN 0.603 nan 8.250 nan 0.000 0.431 85 L N 0.756 122.036 121.223 0.095 0.000 2.265 85 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 85 L C 1.362 178.257 176.870 0.042 0.000 1.117 85 L CA 1.176 56.052 54.840 0.059 0.000 0.782 85 L CB -0.099 41.950 42.059 -0.016 0.000 0.914 85 L HN 0.610 nan 8.230 nan 0.000 0.441 86 S N -1.481 114.256 115.700 0.061 0.000 2.527 86 S HA -0.013 4.457 4.470 -0.000 0.000 0.222 86 S C 0.387 175.042 174.600 0.092 0.000 0.985 86 S CA 0.064 58.298 58.200 0.056 0.000 0.921 86 S CB -0.247 62.987 63.200 0.056 0.000 0.772 86 S HN 0.325 nan 8.310 nan 0.000 0.529 87 D N 2.753 123.237 120.400 0.141 0.000 2.382 87 D HA 0.246 4.886 4.640 -0.000 0.000 0.245 87 D C -2.523 173.895 176.300 0.197 0.000 1.120 87 D CA -1.630 52.477 54.000 0.179 0.000 0.890 87 D CB 0.443 41.429 40.800 0.310 0.000 1.201 87 D HN 0.055 nan 8.370 nan 0.000 0.433 88 P HA 0.063 nan 4.420 nan 0.000 0.271 88 P C 0.731 178.166 177.300 0.224 0.000 1.216 88 P CA -0.089 63.120 63.100 0.181 0.000 0.776 88 P CB 0.632 32.408 31.700 0.127 0.000 0.881 89 T N 0.424 115.147 114.554 0.282 0.000 2.803 89 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 89 T C 1.626 176.439 174.700 0.190 0.000 1.052 89 T CA 2.272 64.538 62.100 0.277 0.000 1.136 89 T CB -0.908 68.152 68.868 0.319 0.000 0.864 89 T HN 0.606 nan 8.240 nan 0.000 0.467 90 T N 0.403 115.034 114.554 0.129 0.000 2.962 90 T HA 0.008 4.358 4.350 -0.000 0.000 0.270 90 T C 1.777 176.481 174.700 0.007 0.000 1.088 90 T CA 0.941 63.071 62.100 0.050 0.000 1.127 90 T CB -0.221 68.670 68.868 0.039 0.000 0.883 90 T HN 0.381 nan 8.240 nan 0.000 0.493 91 K N 0.182 120.541 120.400 -0.067 0.000 2.211 91 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 91 K C 1.080 177.407 176.600 -0.455 0.000 1.047 91 K CA 1.278 57.385 56.287 -0.299 0.000 0.935 91 K CB -0.187 32.026 32.500 -0.478 0.000 0.728 91 K HN 0.538 nan 8.250 nan 0.000 0.452 92 Y N -2.626 117.707 120.300 0.055 0.000 2.444 92 Y HA 0.135 4.685 4.550 -0.000 0.000 0.249 92 Y C 0.035 175.990 175.900 0.091 0.000 1.134 92 Y CA -0.467 57.651 58.100 0.030 0.000 1.261 92 Y CB 0.664 39.110 38.460 -0.024 0.000 1.143 92 Y HN 0.116 nan 8.280 nan 0.000 0.523 93 W N 1.775 123.066 121.300 -0.015 0.000 1.851 93 W HA 0.397 5.057 4.660 -0.000 0.000 0.303 93 W C -2.587 173.872 176.519 -0.100 0.000 0.969 93 W CA -3.495 53.805 57.345 -0.075 0.000 1.537 93 W CB 0.878 30.250 29.460 -0.147 0.000 1.682 93 W HN -0.109 nan 8.180 nan 0.000 0.367 94 P HA -0.231 nan 4.420 nan 0.000 0.217 94 P C 1.533 178.776 177.300 -0.095 0.000 1.148 94 P CA 2.120 65.218 63.100 -0.004 0.000 0.828 94 P CB 0.316 32.026 31.700 0.017 0.000 0.783 95 E N -0.699 119.415 120.200 -0.144 0.000 2.515 95 E HA -0.100 4.250 4.350 -0.000 0.000 0.201 95 E C 0.593 176.931 176.600 -0.436 0.000 1.071 95 E CA 0.381 56.634 56.400 -0.245 0.000 0.880 95 E CB -0.739 28.844 29.700 -0.196 0.000 0.828 95 E HN 0.254 nan 8.360 nan 0.000 0.540 96 L N 2.970 123.865 121.223 -0.547 0.000 2.422 96 L HA 0.129 4.469 4.340 -0.000 0.000 0.256 96 L C 0.866 177.568 176.870 -0.281 0.000 1.202 96 L CA 0.158 54.626 54.840 -0.620 0.000 1.119 96 L CB 0.199 41.712 42.059 -0.908 0.000 1.383 96 L HN -0.007 nan 8.230 nan 0.000 0.411 97 T N -0.690 113.767 114.554 -0.162 0.000 3.081 97 T HA 0.297 4.647 4.350 -0.000 0.000 0.255 97 T C 0.986 175.711 174.700 0.041 0.000 1.113 97 T CA 0.251 62.326 62.100 -0.042 0.000 1.082 97 T CB -0.105 68.738 68.868 -0.042 0.000 0.939 97 T HN 0.538 nan 8.240 nan 0.000 0.506 98 A N 1.518 124.389 122.820 0.085 0.000 2.587 98 A HA 0.482 4.802 4.320 -0.000 0.000 0.235 98 A C 1.834 179.533 177.584 0.193 0.000 1.044 98 A CA 0.464 52.593 52.037 0.153 0.000 0.754 98 A CB -0.207 18.937 19.000 0.240 0.000 0.968 98 A HN 0.641 nan 8.150 nan 0.000 0.509 99 K N 1.713 122.168 120.400 0.092 0.000 2.211 99 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 99 K C 1.794 178.416 176.600 0.037 0.000 1.047 99 K CA 1.934 58.258 56.287 0.061 0.000 0.935 99 K CB -0.708 31.800 32.500 0.013 0.000 0.728 99 K HN 0.983 nan 8.250 nan 0.000 0.452 100 Q N -1.369 118.415 119.800 -0.028 0.000 2.437 100 Q HA -0.157 4.183 4.340 -0.000 0.000 0.210 100 Q C 1.479 177.350 176.000 -0.215 0.000 0.972 100 Q CA 1.275 56.958 55.803 -0.199 0.000 0.903 100 Q CB -0.499 27.985 28.738 -0.424 0.000 0.967 100 Q HN 0.829 nan 8.270 nan 0.000 0.486 101 W N 1.881 123.221 121.300 0.068 0.000 2.658 101 W HA 0.081 4.741 4.660 -0.000 0.000 0.263 101 W C 2.050 178.630 176.519 0.101 0.000 1.274 101 W CA 0.200 57.615 57.345 0.118 0.000 1.343 101 W CB -0.270 29.250 29.460 0.101 0.000 1.106 101 W HN 0.214 nan 8.180 nan 0.000 0.615 102 N N 0.922 119.761 118.700 0.231 0.000 2.184 102 N HA -0.223 4.517 4.740 -0.000 0.000 0.188 102 N C 1.494 177.109 175.510 0.175 0.000 0.923 102 N CA 2.574 55.723 53.050 0.165 0.000 0.897 102 N CB -1.049 37.496 38.487 0.097 0.000 1.060 102 N HN 0.213 nan 8.380 nan 0.000 0.763 103 G N -0.165 108.728 108.800 0.155 0.000 3.523 103 G HA2 0.363 4.323 3.960 -0.000 0.000 0.270 103 G HA3 0.363 4.323 3.960 -0.000 0.000 0.270 103 G C 0.365 175.432 174.900 0.277 0.000 1.134 103 G CA -0.414 44.798 45.100 0.187 0.000 0.825 103 G HN 0.298 nan 8.290 nan 0.000 0.534 104 I N 2.738 123.498 120.570 0.316 0.000 2.312 104 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 104 I C 0.888 177.294 176.117 0.481 0.000 1.031 104 I CA -0.396 61.174 61.300 0.450 0.000 1.293 104 I CB 1.269 39.486 38.000 0.361 0.000 1.403 104 I HN 0.098 nan 8.210 nan 0.000 0.484 105 T N 3.024 117.869 114.554 0.484 0.000 2.897 105 T HA 0.433 4.783 4.350 -0.000 0.000 0.278 105 T C 1.202 176.008 174.700 0.176 0.000 0.981 105 T CA -0.845 61.374 62.100 0.198 0.000 0.973 105 T CB 1.408 70.260 68.868 -0.028 0.000 1.092 105 T HN 0.421 nan 8.240 nan 0.000 0.543 106 L N 0.358 121.684 121.223 0.171 0.000 2.131 106 L HA -0.018 4.322 4.340 -0.000 0.000 0.210 106 L C 2.493 179.386 176.870 0.039 0.000 1.092 106 L CA 0.784 55.757 54.840 0.220 0.000 0.759 106 L CB -0.720 41.513 42.059 0.291 0.000 0.903 106 L HN 0.604 nan 8.230 nan 0.000 0.435 107 L N -0.338 120.835 121.223 -0.084 0.000 2.012 107 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 107 L C 2.383 179.204 176.870 -0.083 0.000 1.073 107 L CA 1.977 56.697 54.840 -0.202 0.000 0.748 107 L CB -0.679 41.253 42.059 -0.211 0.000 0.891 107 L HN 0.243 nan 8.230 nan 0.000 0.431 108 H N -1.060 118.079 119.070 0.115 0.000 2.352 108 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 108 H C 2.252 177.584 175.328 0.007 0.000 1.097 108 H CA 1.644 57.752 56.048 0.100 0.000 1.311 108 H CB -0.157 29.687 29.762 0.136 0.000 1.377 108 H HN 0.318 nan 8.280 nan 0.000 0.504 109 L N 0.152 121.461 121.223 0.144 0.000 2.017 109 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 109 L C 2.857 179.646 176.870 -0.135 0.000 1.073 109 L CA 0.859 55.749 54.840 0.084 0.000 0.745 109 L CB -0.541 41.635 42.059 0.195 0.000 0.894 109 L HN 0.357 nan 8.230 nan 0.000 0.432 110 A N -0.072 122.505 122.820 -0.406 0.000 1.972 110 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 110 A C 2.113 179.276 177.584 -0.701 0.000 1.169 110 A CA 2.105 53.648 52.037 -0.823 0.000 0.635 110 A CB -0.725 17.404 19.000 -1.451 0.000 0.810 110 A HN 0.524 nan 8.150 nan 0.000 0.446 111 T N -5.852 108.423 114.554 -0.466 0.000 3.134 111 T HA 0.314 4.664 4.350 -0.000 0.000 0.260 111 T C 0.296 174.804 174.700 -0.320 0.000 1.027 111 T CA 0.258 62.128 62.100 -0.383 0.000 0.913 111 T CB -0.827 68.125 68.868 0.139 0.000 1.046 111 T HN 0.695 nan 8.240 nan 0.000 0.553 112 Y N 0.860 121.162 120.300 0.004 0.000 4.177 112 Y HA -0.270 4.280 4.550 0.000 0.000 0.227 112 Y C 1.040 176.915 175.900 -0.042 0.000 1.154 112 Y CA 0.556 58.658 58.100 0.002 0.000 1.887 112 Y CB -2.998 35.487 38.460 0.042 0.000 1.594 112 Y HN 0.593 nan 8.280 nan 0.000 0.668 113 T N -3.998 110.549 114.554 -0.011 0.000 3.293 113 T HA 0.712 5.062 4.350 -0.000 0.000 0.276 113 T C 1.136 175.796 174.700 -0.068 0.000 1.003 113 T CA 0.061 62.071 62.100 -0.150 0.000 0.916 113 T CB 0.841 69.336 68.868 -0.621 0.000 1.134 113 T HN 0.476 nan 8.240 nan 0.000 0.530 114 A N 0.968 123.817 122.820 0.049 0.000 2.119 114 A HA 0.629 4.949 4.320 -0.000 0.000 0.216 114 A C 1.876 179.524 177.584 0.107 0.000 1.152 114 A CA 0.514 52.574 52.037 0.038 0.000 0.708 114 A CB -0.615 18.410 19.000 0.041 0.000 0.805 114 A HN 1.477 nan 8.150 nan 0.000 0.460 115 G N -3.117 105.815 108.800 0.220 0.000 2.157 115 G HA2 0.393 4.353 3.960 -0.000 0.000 0.114 115 G HA3 0.393 4.353 3.960 -0.000 0.000 0.114 115 G C 0.978 176.050 174.900 0.287 0.000 1.041 115 G CA 0.372 45.657 45.100 0.307 0.000 0.714 115 G HN 1.944 nan 8.290 nan 0.000 0.492 116 G N -0.786 108.225 108.800 0.352 0.000 2.141 116 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.164 116 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.164 116 G C 0.397 175.460 174.900 0.272 0.000 1.009 116 G CA -0.056 45.149 45.100 0.175 0.000 0.677 116 G HN 1.184 nan 8.290 nan 0.000 0.508 117 L N 2.241 123.486 121.223 0.037 0.000 2.525 117 L HA 0.249 4.589 4.340 -0.000 0.000 0.278 117 L C -0.840 176.015 176.870 -0.025 0.000 1.218 117 L CA -1.196 53.436 54.840 -0.347 0.000 0.878 117 L CB 0.388 42.223 42.059 -0.374 0.000 1.127 117 L HN 0.098 nan 8.230 nan 0.000 0.492 118 P HA -0.060 nan 4.420 nan 0.000 0.271 118 P C 0.545 177.895 177.300 0.083 0.000 1.216 118 P CA -0.466 62.699 63.100 0.109 0.000 0.776 118 P CB 1.137 32.947 31.700 0.183 0.000 0.881 119 L N 2.656 123.916 121.223 0.062 0.000 2.021 119 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 119 L C 0.777 177.654 176.870 0.012 0.000 1.074 119 L CA 2.118 56.968 54.840 0.018 0.000 0.760 119 L CB -1.002 41.085 42.059 0.048 0.000 0.889 119 L HN 0.457 nan 8.230 nan 0.000 0.433 120 Q N -1.192 118.624 119.800 0.026 0.000 2.306 120 Q HA 0.532 4.872 4.340 -0.000 0.000 0.265 120 Q C -0.930 175.042 176.000 -0.047 0.000 1.022 120 Q CA -0.717 55.084 55.803 -0.003 0.000 0.853 120 Q CB 2.425 31.150 28.738 -0.021 0.000 1.327 120 Q HN -0.030 nan 8.270 nan 0.000 0.449 121 V N 3.625 123.473 119.914 -0.110 0.000 2.461 121 V HA 0.250 4.370 4.120 -0.000 0.000 0.275 121 V C -2.048 173.842 176.094 -0.339 0.000 1.047 121 V CA -1.598 60.479 62.300 -0.371 0.000 0.955 121 V CB 0.697 32.354 31.823 -0.276 0.000 0.988 121 V HN 0.685 nan 8.190 nan 0.000 0.471 122 P HA 0.028 nan 4.420 nan 0.000 0.265 122 P C 0.325 177.515 177.300 -0.184 0.000 1.187 122 P CA 0.142 63.090 63.100 -0.253 0.000 0.766 122 P CB 0.519 32.071 31.700 -0.247 0.000 0.820 123 D N 1.487 121.829 120.400 -0.097 0.000 2.263 123 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 123 D C 2.094 178.362 176.300 -0.053 0.000 0.971 123 D CA 1.531 55.497 54.000 -0.058 0.000 0.867 123 D CB 0.058 40.842 40.800 -0.028 0.000 0.929 123 D HN 0.558 nan 8.370 nan 0.000 0.492 124 E N -0.096 120.066 120.200 -0.063 0.000 2.208 124 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 124 E C 1.052 177.624 176.600 -0.047 0.000 0.988 124 E CA 0.437 56.813 56.400 -0.041 0.000 0.828 124 E CB -0.464 29.220 29.700 -0.027 0.000 0.763 124 E HN 0.095 nan 8.360 nan 0.000 0.478 125 V N 1.094 120.950 119.914 -0.096 0.000 2.555 125 V HA 0.316 4.436 4.120 -0.000 0.000 0.286 125 V C 0.686 176.752 176.094 -0.047 0.000 1.044 125 V CA 0.665 62.913 62.300 -0.087 0.000 1.026 125 V CB 1.209 32.908 31.823 -0.206 0.000 0.981 125 V HN 0.501 nan 8.190 nan 0.000 0.480 126 K N 1.542 121.938 120.400 -0.008 0.000 3.010 126 K HA 0.174 4.494 4.320 -0.000 0.000 0.205 126 K C 0.730 177.343 176.600 0.022 0.000 1.704 126 K CA -0.175 56.114 56.287 0.003 0.000 1.297 126 K CB 0.218 32.721 32.500 0.004 0.000 2.032 126 K HN 0.535 nan 8.250 nan 0.000 0.573 127 S N 1.338 117.058 115.700 0.034 0.000 2.580 127 S HA 0.000 4.470 4.470 -0.000 0.000 0.261 127 S C 1.098 175.743 174.600 0.076 0.000 1.366 127 S CA -0.212 58.016 58.200 0.047 0.000 0.996 127 S CB 1.065 64.296 63.200 0.051 0.000 0.902 127 S HN 0.200 nan 8.310 nan 0.000 0.566 128 S N 1.336 117.085 115.700 0.081 0.000 2.402 128 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 128 S C 2.140 176.859 174.600 0.198 0.000 1.021 128 S CA 1.018 59.292 58.200 0.124 0.000 0.974 128 S CB -0.246 63.012 63.200 0.096 0.000 0.800 128 S HN 0.624 nan 8.310 nan 0.000 0.484 129 S N 1.877 117.662 115.700 0.141 0.000 2.368 129 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 129 S C 1.488 176.170 174.600 0.137 0.000 1.029 129 S CA 1.128 59.408 58.200 0.132 0.000 0.988 129 S CB -0.430 62.821 63.200 0.085 0.000 0.838 129 S HN 0.459 nan 8.310 nan 0.000 0.462 130 D N 1.207 121.678 120.400 0.118 0.000 2.144 130 D HA -0.044 4.596 4.640 -0.000 0.000 0.199 130 D C 1.829 178.230 176.300 0.168 0.000 0.984 130 D CA 0.555 54.621 54.000 0.109 0.000 0.834 130 D CB -0.360 40.478 40.800 0.064 0.000 0.955 130 D HN 0.183 nan 8.370 nan 0.000 0.465 131 L N 0.480 121.837 121.223 0.223 0.000 2.093 131 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 131 L C 2.088 179.267 176.870 0.516 0.000 1.085 131 L CA 0.968 56.028 54.840 0.365 0.000 0.755 131 L CB -0.539 41.756 42.059 0.394 0.000 0.904 131 L HN -0.001 nan 8.230 nan 0.000 0.435 132 L N -0.612 120.855 121.223 0.407 0.000 2.017 132 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 132 L C 2.659 179.570 176.870 0.070 0.000 1.073 132 L CA 1.677 56.603 54.840 0.142 0.000 0.745 132 L CB -0.615 41.476 42.059 0.054 0.000 0.894 132 L HN 0.191 nan 8.230 nan 0.000 0.432 133 R N -1.483 119.089 120.500 0.119 0.000 2.091 133 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 133 R C 2.268 178.659 176.300 0.152 0.000 1.136 133 R CA 1.802 57.965 56.100 0.104 0.000 0.959 133 R CB -0.764 29.597 30.300 0.102 0.000 0.856 133 R HN 0.404 nan 8.270 nan 0.000 0.437 134 F N 0.711 120.675 119.950 0.023 0.000 2.065 134 F HA -0.281 4.246 4.527 0.000 0.000 0.298 134 F C 1.725 177.527 175.800 0.003 0.000 1.112 134 F CA 1.543 59.512 58.000 -0.051 0.000 1.212 134 F CB -0.633 38.243 39.000 -0.207 0.000 0.975 134 F HN -0.041 nan 8.300 nan 0.000 0.476 135 Y N 0.221 120.504 120.300 -0.028 0.000 2.373 135 Y HA -0.124 4.426 4.550 0.000 0.000 0.293 135 Y C 2.594 178.656 175.900 0.269 0.000 1.129 135 Y CA 1.252 59.363 58.100 0.018 0.000 1.226 135 Y CB -0.768 37.692 38.460 -0.001 0.000 1.000 135 Y HN 0.160 nan 8.280 nan 0.000 0.549 136 Q N 0.100 120.022 119.800 0.202 0.000 2.083 136 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 136 Q C 1.457 177.569 176.000 0.187 0.000 0.969 136 Q CA 1.346 57.255 55.803 0.176 0.000 0.838 136 Q CB -0.504 28.247 28.738 0.021 0.000 0.900 136 Q HN 0.644 nan 8.270 nan 0.000 0.436 137 N N -0.571 118.202 118.700 0.121 0.000 2.494 137 N HA -0.084 4.656 4.740 -0.000 0.000 0.182 137 N C 0.049 175.592 175.510 0.056 0.000 1.076 137 N CA -0.313 52.780 53.050 0.072 0.000 0.908 137 N CB 0.065 38.593 38.487 0.067 0.000 0.967 137 N HN 0.168 nan 8.380 nan 0.000 0.449 138 W N 2.809 124.037 121.300 -0.120 0.000 2.251 138 W HA 0.060 4.719 4.660 -0.000 0.000 0.327 138 W C -0.598 175.821 176.519 -0.167 0.000 1.361 138 W CA -0.133 57.095 57.345 -0.196 0.000 1.234 138 W CB 0.552 29.829 29.460 -0.304 0.000 1.212 138 W HN -0.060 nan 8.180 nan 0.000 0.557 139 Q N 8.677 127.871 119.800 -1.010 0.000 2.348 139 Q HA 0.302 4.642 4.340 -0.000 0.000 0.265 139 Q C -2.038 173.060 176.000 -1.504 0.000 0.998 139 Q CA -2.054 53.102 55.803 -1.078 0.000 0.831 139 Q CB 1.271 29.682 28.738 -0.545 0.000 1.251 139 Q HN 0.400 nan 8.270 nan 0.000 0.456 140 P HA 0.075 nan 4.420 nan 0.000 0.269 140 P C -0.277 176.592 177.300 -0.717 0.000 1.215 140 P CA 0.061 62.461 63.100 -1.167 0.000 0.780 140 P CB 1.063 32.222 31.700 -0.902 0.000 0.898 141 A N 2.096 124.462 122.820 -0.755 0.000 2.063 141 A HA 0.173 4.493 4.320 -0.000 0.000 0.211 141 A C 0.380 177.468 177.584 -0.828 0.000 1.177 141 A CA 0.438 51.917 52.037 -0.929 0.000 0.759 141 A CB -0.091 18.030 19.000 -1.466 0.000 0.857 141 A HN 0.577 nan 8.150 nan 0.000 0.468 142 W N -2.094 119.151 121.300 -0.091 0.000 2.992 142 W HA 0.708 5.368 4.660 -0.000 0.000 0.342 142 W C 0.121 176.579 176.519 -0.102 0.000 1.176 142 W CA -1.378 55.918 57.345 -0.081 0.000 1.118 142 W CB 0.836 30.262 29.460 -0.056 0.000 1.457 142 W HN 0.147 nan 8.180 nan 0.000 0.573 143 A N 2.043 124.954 122.820 0.151 0.000 2.366 143 A HA 0.561 4.881 4.320 -0.000 0.000 0.249 143 A C -2.264 175.324 177.584 0.006 0.000 1.084 143 A CA -0.926 51.133 52.037 0.037 0.000 0.794 143 A CB -0.732 18.289 19.000 0.035 0.000 1.034 143 A HN 0.191 nan 8.150 nan 0.000 0.491 144 P HA 0.282 nan 4.420 nan 0.000 0.268 144 P C 0.785 177.926 177.300 -0.265 0.000 1.205 144 P CA 1.731 64.646 63.100 -0.309 0.000 0.771 144 P CB 0.539 31.994 31.700 -0.410 0.000 0.858 145 G N 1.802 110.382 108.800 -0.366 0.000 2.221 145 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.265 145 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.265 145 G C 0.651 175.488 174.900 -0.105 0.000 1.041 145 G CA 0.735 45.756 45.100 -0.132 0.000 0.807 145 G HN 0.666 nan 8.290 nan 0.000 0.502 146 T N -4.896 109.568 114.554 -0.150 0.000 2.989 146 T HA 0.448 4.798 4.350 -0.000 0.000 0.250 146 T C 0.658 175.221 174.700 -0.228 0.000 0.981 146 T CA 0.808 62.842 62.100 -0.111 0.000 0.980 146 T CB 0.678 69.516 68.868 -0.049 0.000 1.133 146 T HN 0.446 nan 8.240 nan 0.000 0.489 147 Q N 0.484 120.115 119.800 -0.283 0.000 2.389 147 Q HA 0.506 4.846 4.340 -0.000 0.000 0.277 147 Q C -1.472 174.375 176.000 -0.256 0.000 1.082 147 Q CA -0.824 54.742 55.803 -0.396 0.000 0.810 147 Q CB 3.316 31.514 28.738 -0.900 0.000 1.374 147 Q HN 0.230 nan 8.270 nan 0.000 0.422 148 R N 2.171 122.545 120.500 -0.210 0.000 2.294 148 R HA 0.502 4.842 4.340 -0.000 0.000 0.319 148 R C -1.545 174.776 176.300 0.034 0.000 0.984 148 R CA -0.480 55.584 56.100 -0.059 0.000 0.861 148 R CB 0.563 30.849 30.300 -0.025 0.000 1.104 148 R HN 0.442 nan 8.270 nan 0.000 0.451 149 L N 6.078 127.392 121.223 0.151 0.000 2.471 149 L HA 0.251 4.591 4.340 -0.000 0.000 0.263 149 L C -1.377 175.556 176.870 0.105 0.000 0.985 149 L CA -0.671 54.276 54.840 0.178 0.000 0.868 149 L CB 0.982 43.233 42.059 0.320 0.000 1.203 149 L HN 0.643 nan 8.230 nan 0.000 0.429 150 Y N 4.679 124.874 120.300 -0.175 0.000 2.881 150 Y HA 0.311 4.861 4.550 -0.000 0.000 0.335 150 Y C 0.148 175.884 175.900 -0.273 0.000 1.263 150 Y CA 1.029 58.820 58.100 -0.515 0.000 1.572 150 Y CB 0.388 38.618 38.460 -0.382 0.000 1.237 150 Y HN 0.833 nan 8.280 nan 0.000 0.568 151 A N 5.412 127.786 122.820 -0.745 0.000 2.555 151 A HA 0.280 4.600 4.320 -0.000 0.000 0.297 151 A C -0.230 177.247 177.584 -0.177 0.000 1.060 151 A CA -0.916 50.934 52.037 -0.312 0.000 0.710 151 A CB 0.888 19.876 19.000 -0.019 0.000 1.282 151 A HN 0.767 nan 8.150 nan 0.000 0.399 152 N N 0.793 119.426 118.700 -0.111 0.000 2.270 152 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 152 N C 1.589 177.166 175.510 0.112 0.000 1.016 152 N CA 1.766 54.833 53.050 0.029 0.000 0.870 152 N CB -0.020 38.532 38.487 0.107 0.000 0.979 152 N HN 0.583 nan 8.380 nan 0.000 0.431 153 S N 0.255 116.040 115.700 0.142 0.000 2.419 153 S HA -0.016 4.454 4.470 -0.000 0.000 0.233 153 S C 2.043 176.817 174.600 0.289 0.000 1.016 153 S CA 0.800 59.168 58.200 0.280 0.000 0.974 153 S CB 0.012 63.393 63.200 0.303 0.000 0.786 153 S HN 0.306 nan 8.310 nan 0.000 0.492 154 S N 1.523 117.338 115.700 0.192 0.000 2.303 154 S HA 0.175 4.645 4.470 -0.000 0.000 0.207 154 S C 1.807 176.489 174.600 0.137 0.000 1.025 154 S CA 0.462 58.760 58.200 0.164 0.000 0.953 154 S CB -0.478 62.830 63.200 0.180 0.000 0.932 154 S HN 0.437 nan 8.310 nan 0.000 0.472 155 I N 1.841 122.487 120.570 0.126 0.000 2.454 155 I HA -0.131 4.039 4.170 -0.000 0.000 0.254 155 I C 2.130 178.323 176.117 0.127 0.000 1.156 155 I CA 1.050 62.408 61.300 0.097 0.000 1.433 155 I CB -0.538 37.505 38.000 0.072 0.000 1.082 155 I HN 0.387 nan 8.210 nan 0.000 0.432 156 G N 0.874 109.723 108.800 0.082 0.000 2.421 156 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 156 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 156 G C 1.526 176.387 174.900 -0.064 0.000 1.171 156 G CA 0.841 45.929 45.100 -0.020 0.000 0.775 156 G HN 0.388 nan 8.290 nan 0.000 0.543 157 L N -0.194 121.041 121.223 0.019 0.000 2.093 157 L HA 0.143 4.483 4.340 -0.000 0.000 0.208 157 L C 2.427 179.244 176.870 -0.089 0.000 1.085 157 L CA 1.473 56.259 54.840 -0.090 0.000 0.755 157 L CB -0.695 41.255 42.059 -0.183 0.000 0.904 157 L HN 0.237 nan 8.230 nan 0.000 0.435 158 F N 0.344 120.223 119.950 -0.118 0.000 2.126 158 F HA -0.094 4.432 4.527 -0.000 0.000 0.299 158 F C 2.133 177.858 175.800 -0.125 0.000 1.096 158 F CA 1.793 59.727 58.000 -0.110 0.000 1.255 158 F CB -0.994 37.955 39.000 -0.085 0.000 0.997 158 F HN 0.108 nan 8.300 nan 0.000 0.479 159 G N -0.300 108.364 108.800 -0.226 0.000 2.418 159 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 159 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 159 G C 1.819 176.526 174.900 -0.322 0.000 1.158 159 G CA 0.829 45.746 45.100 -0.305 0.000 0.771 159 G HN 0.642 nan 8.290 nan 0.000 0.545 160 A N 0.350 122.941 122.820 -0.382 0.000 1.933 160 A HA 0.151 4.471 4.320 -0.000 0.000 0.218 160 A C 2.396 179.788 177.584 -0.320 0.000 1.175 160 A CA 1.176 53.016 52.037 -0.329 0.000 0.628 160 A CB -0.286 18.496 19.000 -0.364 0.000 0.814 160 A HN 0.365 nan 8.150 nan 0.000 0.444 161 L N -1.242 119.757 121.223 -0.374 0.000 2.209 161 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 161 L C 2.917 179.490 176.870 -0.495 0.000 1.094 161 L CA 0.720 55.331 54.840 -0.382 0.000 0.790 161 L CB -0.461 41.416 42.059 -0.304 0.000 0.932 161 L HN 0.380 nan 8.230 nan 0.000 0.447 162 A N 0.306 122.771 122.820 -0.593 0.000 2.070 162 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 162 A C 2.081 179.438 177.584 -0.378 0.000 1.159 162 A CA 1.709 53.377 52.037 -0.616 0.000 0.656 162 A CB -0.593 17.896 19.000 -0.853 0.000 0.800 162 A HN 0.343 nan 8.150 nan 0.000 0.453 163 V N -3.767 115.989 119.914 -0.264 0.000 3.647 163 V HA 0.123 4.243 4.120 -0.000 0.000 0.279 163 V C 1.593 177.599 176.094 -0.146 0.000 1.314 163 V CA 0.925 63.120 62.300 -0.174 0.000 1.125 163 V CB -0.392 31.369 31.823 -0.104 0.000 0.907 163 V HN 0.395 nan 8.190 nan 0.000 0.434 164 K N 1.326 121.627 120.400 -0.164 0.000 2.063 164 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 164 K C -0.084 176.486 176.600 -0.049 0.000 1.048 164 K CA 2.041 58.268 56.287 -0.100 0.000 0.928 164 K CB -1.429 31.025 32.500 -0.078 0.000 0.713 164 K HN 0.460 nan 8.250 nan 0.000 0.442 165 P HA -0.102 nan 4.420 nan 0.000 0.218 165 P C 0.960 178.244 177.300 -0.026 0.000 1.148 165 P CA 1.245 64.348 63.100 0.006 0.000 0.822 165 P CB 0.126 31.840 31.700 0.022 0.000 0.784 166 S N -1.534 114.131 115.700 -0.059 0.000 2.382 166 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 166 S C 1.866 176.433 174.600 -0.056 0.000 1.027 166 S CA 1.496 59.657 58.200 -0.065 0.000 0.991 166 S CB -1.152 61.992 63.200 -0.094 0.000 0.823 166 S HN 0.380 nan 8.310 nan 0.000 0.469 167 G N 0.377 109.144 108.800 -0.055 0.000 2.176 167 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 167 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 167 G C 0.034 174.899 174.900 -0.057 0.000 0.979 167 G CA 0.252 45.323 45.100 -0.048 0.000 0.641 167 G HN 0.441 nan 8.290 nan 0.000 0.530 168 L N 1.222 122.401 121.223 -0.073 0.000 2.375 168 L HA 0.622 4.962 4.340 -0.000 0.000 0.268 168 L C 1.005 177.823 176.870 -0.085 0.000 1.058 168 L CA -0.874 53.915 54.840 -0.085 0.000 0.803 168 L CB 1.528 43.521 42.059 -0.110 0.000 1.212 168 L HN 0.109 nan 8.230 nan 0.000 0.451 169 S N 0.295 115.947 115.700 -0.080 0.000 2.584 169 S HA 0.044 4.514 4.470 -0.000 0.000 0.270 169 S C 0.713 175.272 174.600 -0.068 0.000 1.346 169 S CA -0.486 57.680 58.200 -0.056 0.000 1.018 169 S CB 0.571 63.742 63.200 -0.048 0.000 0.899 169 S HN 0.517 nan 8.310 nan 0.000 0.542 170 F N 1.890 121.746 119.950 -0.156 0.000 2.095 170 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 170 F C 2.360 178.044 175.800 -0.193 0.000 1.104 170 F CA 2.220 60.111 58.000 -0.181 0.000 1.232 170 F CB -0.326 38.567 39.000 -0.179 0.000 0.987 170 F HN 0.863 nan 8.300 nan 0.000 0.475 171 E N -0.338 119.793 120.200 -0.115 0.000 2.058 171 E HA -0.343 4.007 4.350 -0.000 0.000 0.194 171 E C 2.237 178.667 176.600 -0.282 0.000 0.997 171 E CA 1.455 57.733 56.400 -0.204 0.000 0.801 171 E CB -0.357 29.310 29.700 -0.055 0.000 0.746 171 E HN 0.465 nan 8.360 nan 0.000 0.450 172 Q N 0.465 120.147 119.800 -0.197 0.000 2.124 172 Q HA -0.111 4.228 4.340 -0.000 0.000 0.202 172 Q C 1.769 177.619 176.000 -0.250 0.000 0.977 172 Q CA 1.963 57.658 55.803 -0.180 0.000 0.850 172 Q CB -0.403 28.263 28.738 -0.120 0.000 0.901 172 Q HN 0.366 nan 8.270 nan 0.000 0.429 173 A N -0.419 122.211 122.820 -0.316 0.000 1.929 173 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 173 A C 2.012 179.312 177.584 -0.472 0.000 1.176 173 A CA 1.502 53.332 52.037 -0.346 0.000 0.628 173 A CB -0.523 18.268 19.000 -0.348 0.000 0.816 173 A HN 0.496 nan 8.150 nan 0.000 0.444 174 M N 0.718 119.902 119.600 -0.694 0.000 2.099 174 M HA -0.201 4.279 4.480 -0.000 0.000 0.262 174 M C 2.343 178.075 176.300 -0.947 0.000 1.067 174 M CA 2.333 57.084 55.300 -0.917 0.000 1.124 174 M CB -0.680 31.204 32.600 -1.192 0.000 1.353 174 M HN 0.614 nan 8.290 nan 0.000 0.410 175 Q N -2.290 117.080 119.800 -0.718 0.000 2.084 175 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 175 Q C 1.750 177.617 176.000 -0.221 0.000 0.978 175 Q CA 2.022 57.593 55.803 -0.387 0.000 0.844 175 Q CB -1.083 27.572 28.738 -0.139 0.000 0.898 175 Q HN 0.424 nan 8.270 nan 0.000 0.426 176 T N 0.892 115.314 114.554 -0.220 0.000 2.857 176 T HA -0.000 4.350 4.350 -0.000 0.000 0.266 176 T C 1.631 176.254 174.700 -0.129 0.000 1.048 176 T CA 1.215 63.229 62.100 -0.144 0.000 1.139 176 T CB 0.010 68.799 68.868 -0.132 0.000 0.874 176 T HN 0.315 nan 8.240 nan 0.000 0.455 177 R N -0.291 120.104 120.500 -0.174 0.000 2.308 177 R HA 0.302 4.642 4.340 -0.000 0.000 0.202 177 R C 1.423 177.674 176.300 -0.081 0.000 0.898 177 R CA 0.200 56.228 56.100 -0.120 0.000 1.046 177 R CB 0.490 30.710 30.300 -0.133 0.000 1.026 177 R HN 0.217 nan 8.270 nan 0.000 0.512 178 V N -0.940 118.895 119.914 -0.131 0.000 3.161 178 V HA 0.027 4.147 4.120 -0.000 0.000 0.221 178 V C 1.374 177.557 176.094 0.148 0.000 1.296 178 V CA 0.396 62.699 62.300 0.005 0.000 1.306 178 V CB -0.264 31.531 31.823 -0.048 0.000 1.171 178 V HN -0.027 nan 8.190 nan 0.000 0.513 179 F N 1.694 121.567 119.950 -0.128 0.000 2.046 179 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 179 F C 2.631 178.349 175.800 -0.137 0.000 1.123 179 F CA 1.718 59.608 58.000 -0.185 0.000 1.199 179 F CB -1.326 37.483 39.000 -0.319 0.000 0.972 179 F HN 0.206 nan 8.300 nan 0.000 0.474 180 Q N -0.097 119.748 119.800 0.075 0.000 2.002 180 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 180 Q C -0.233 175.776 176.000 0.016 0.000 0.988 180 Q CA 2.058 57.863 55.803 0.003 0.000 0.843 180 Q CB -1.687 27.036 28.738 -0.025 0.000 0.908 180 Q HN 0.266 nan 8.270 nan 0.000 0.420 181 P HA -0.170 nan 4.420 nan 0.000 0.217 181 P C 0.669 178.001 177.300 0.054 0.000 1.148 181 P CA 1.264 64.383 63.100 0.032 0.000 0.828 181 P CB 0.038 31.759 31.700 0.034 0.000 0.783 182 L N -2.562 118.717 121.223 0.094 0.000 2.607 182 L HA 0.177 4.516 4.340 -0.000 0.000 0.228 182 L C 0.408 177.324 176.870 0.076 0.000 1.123 182 L CA 0.028 54.938 54.840 0.117 0.000 0.890 182 L CB -0.367 41.830 42.059 0.231 0.000 1.103 182 L HN -0.125 nan 8.230 nan 0.000 0.468 183 K N 0.073 120.493 120.400 0.033 0.000 3.339 183 K HA -0.143 4.177 4.320 -0.000 0.000 0.299 183 K C -0.151 176.426 176.600 -0.038 0.000 1.270 183 K CA 0.595 56.880 56.287 -0.004 0.000 0.875 183 K CB -1.902 30.604 32.500 0.011 0.000 1.298 183 K HN 0.217 nan 8.250 nan 0.000 0.485 184 L N 1.080 122.259 121.223 -0.073 0.000 2.423 184 L HA 0.143 4.483 4.340 -0.000 0.000 0.249 184 L C 0.907 177.533 176.870 -0.406 0.000 1.276 184 L CA -0.347 54.365 54.840 -0.213 0.000 1.199 184 L CB 0.012 41.891 42.059 -0.300 0.000 1.407 184 L HN 0.158 nan 8.230 nan 0.000 0.410 185 N N -0.019 118.492 118.700 -0.315 0.000 2.515 185 N HA -0.070 4.670 4.740 -0.000 0.000 0.185 185 N C 0.417 175.369 175.510 -0.931 0.000 1.109 185 N CA 0.759 53.498 53.050 -0.518 0.000 0.903 185 N CB 0.134 38.413 38.487 -0.346 0.000 0.969 185 N HN 0.576 nan 8.380 nan 0.000 0.450 186 H N -1.324 117.425 119.070 -0.535 0.000 2.562 186 H HA 0.308 4.864 4.556 -0.000 0.000 0.249 186 H C -0.622 174.265 175.328 -0.735 0.000 1.195 186 H CA -0.184 55.579 56.048 -0.475 0.000 0.938 186 H CB 0.445 30.143 29.762 -0.108 0.000 1.891 186 H HN -0.177 nan 8.280 nan 0.000 0.595 187 T N 0.684 114.496 114.554 -1.237 0.000 2.809 187 T HA 0.341 4.691 4.350 -0.000 0.000 0.284 187 T C -1.011 172.805 174.700 -1.473 0.000 0.992 187 T CA -0.639 60.728 62.100 -1.222 0.000 0.957 187 T CB 0.910 68.903 68.868 -1.459 0.000 0.942 187 T HN 0.267 nan 8.240 nan 0.000 0.439 188 W N 1.902 122.911 121.300 -0.485 0.000 2.950 188 W HA 0.624 5.284 4.660 0.000 0.000 0.340 188 W C 0.607 177.013 176.519 -0.190 0.000 1.139 188 W CA -0.884 56.295 57.345 -0.277 0.000 1.188 188 W CB 0.938 30.239 29.460 -0.266 0.000 1.426 188 W HN 0.457 nan 8.180 nan 0.000 0.531 189 I N 1.032 121.706 120.570 0.173 0.000 2.927 189 I HA 0.056 4.226 4.170 -0.000 0.000 0.268 189 I C -0.228 175.899 176.117 0.016 0.000 1.153 189 I CA 0.503 61.843 61.300 0.066 0.000 1.459 189 I CB 0.065 38.107 38.000 0.070 0.000 1.149 189 I HN 0.388 nan 8.210 nan 0.000 0.443 190 N N 0.051 118.775 118.700 0.040 0.000 2.448 190 N HA 0.285 5.025 4.740 -0.000 0.000 0.279 190 N C -0.908 174.496 175.510 -0.176 0.000 1.025 190 N CA -0.322 52.690 53.050 -0.063 0.000 0.898 190 N CB 2.514 40.971 38.487 -0.050 0.000 1.303 190 N HN -0.236 nan 8.380 nan 0.000 0.495 191 V N 3.640 123.349 119.914 -0.341 0.000 2.446 191 V HA 0.175 4.295 4.120 -0.000 0.000 0.276 191 V C -1.785 173.959 176.094 -0.582 0.000 1.030 191 V CA -1.048 60.879 62.300 -0.621 0.000 1.033 191 V CB 0.020 31.390 31.823 -0.756 0.000 0.993 191 V HN 0.575 nan 8.190 nan 0.000 0.477 192 P HA 0.199 nan 4.420 nan 0.000 0.271 192 P C -2.031 175.022 177.300 -0.410 0.000 1.218 192 P CA -1.319 61.422 63.100 -0.597 0.000 0.780 192 P CB 0.192 31.401 31.700 -0.819 0.000 0.901 193 P HA -0.205 nan 4.420 nan 0.000 0.217 193 P C 1.075 178.286 177.300 -0.149 0.000 1.148 193 P CA 1.674 64.678 63.100 -0.160 0.000 0.828 193 P CB -0.246 31.388 31.700 -0.110 0.000 0.783 194 A N -0.691 122.021 122.820 -0.179 0.000 2.067 194 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 194 A C 1.845 179.352 177.584 -0.128 0.000 1.158 194 A CA 1.459 53.419 52.037 -0.129 0.000 0.661 194 A CB -0.736 18.196 19.000 -0.114 0.000 0.801 194 A HN 0.081 nan 8.150 nan 0.000 0.452 195 E N -0.442 119.622 120.200 -0.227 0.000 2.481 195 E HA 0.106 4.456 4.350 -0.000 0.000 0.198 195 E C 1.376 177.892 176.600 -0.141 0.000 1.027 195 E CA 0.025 56.312 56.400 -0.188 0.000 0.900 195 E CB 0.075 29.566 29.700 -0.348 0.000 0.993 195 E HN 0.668 nan 8.360 nan 0.000 0.482 196 E N 0.860 120.987 120.200 -0.121 0.000 2.209 196 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 196 E C 1.582 178.196 176.600 0.024 0.000 0.993 196 E CA 1.110 57.491 56.400 -0.031 0.000 0.819 196 E CB -0.077 29.612 29.700 -0.018 0.000 0.745 196 E HN 0.303 nan 8.360 nan 0.000 0.477 197 K N 0.428 120.836 120.400 0.014 0.000 2.283 197 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 197 K C 1.012 177.643 176.600 0.051 0.000 1.048 197 K CA 1.264 57.576 56.287 0.041 0.000 0.948 197 K CB 0.021 32.541 32.500 0.033 0.000 0.742 197 K HN -0.028 nan 8.250 nan 0.000 0.458 198 N N -0.105 118.620 118.700 0.042 0.000 2.254 198 N HA -0.007 4.733 4.740 -0.000 0.000 0.190 198 N C -0.844 174.712 175.510 0.076 0.000 1.107 198 N CA -0.134 52.945 53.050 0.050 0.000 0.869 198 N CB 0.188 38.702 38.487 0.045 0.000 0.983 198 N HN 0.268 nan 8.380 nan 0.000 0.487 199 Y N 2.058 122.289 120.300 -0.115 0.000 2.640 199 Y HA 0.285 4.835 4.550 0.000 0.000 0.355 199 Y C 0.530 176.336 175.900 -0.158 0.000 1.088 199 Y CA -1.273 56.716 58.100 -0.186 0.000 1.443 199 Y CB 0.006 38.288 38.460 -0.297 0.000 1.224 199 Y HN 0.024 nan 8.280 nan 0.000 0.516 200 A N 5.893 128.765 122.820 0.087 0.000 2.448 200 A HA 0.007 4.327 4.320 -0.000 0.000 0.239 200 A C -1.036 176.566 177.584 0.030 0.000 1.080 200 A CA -0.108 51.949 52.037 0.033 0.000 0.779 200 A CB 0.331 19.280 19.000 -0.085 0.000 1.026 200 A HN 0.923 nan 8.150 nan 0.000 0.499 201 W N -0.124 121.201 121.300 0.042 0.000 2.449 201 W HA 0.514 5.174 4.660 0.000 0.000 0.331 201 W C 0.759 177.003 176.519 -0.458 0.000 1.119 201 W CA 0.298 57.501 57.345 -0.238 0.000 1.240 201 W CB 1.492 30.665 29.460 -0.479 0.000 1.251 201 W HN 0.931 nan 8.180 nan 0.000 0.576 202 G N 1.176 109.780 108.800 -0.326 0.000 2.437 202 G HA2 0.552 4.512 3.960 -0.000 0.000 0.319 202 G HA3 0.552 4.512 3.960 -0.000 0.000 0.319 202 G C -2.186 172.327 174.900 -0.645 0.000 1.158 202 G CA -0.457 44.166 45.100 -0.796 0.000 0.899 202 G HN 0.408 nan 8.290 nan 0.000 0.502 203 Y N -0.181 120.016 120.300 -0.171 0.000 2.338 203 Y HA 0.549 5.099 4.550 -0.000 0.000 0.333 203 Y C 0.416 176.300 175.900 -0.026 0.000 0.968 203 Y CA -0.833 57.228 58.100 -0.066 0.000 1.123 203 Y CB 2.352 40.780 38.460 -0.052 0.000 1.165 203 Y HN 0.498 nan 8.280 nan 0.000 0.452 204 R N 2.249 122.805 120.500 0.094 0.000 2.483 204 R HA 0.527 4.867 4.340 -0.000 0.000 0.303 204 R C 0.063 176.403 176.300 0.067 0.000 0.987 204 R CA 0.544 56.690 56.100 0.076 0.000 0.881 204 R CB 1.003 31.335 30.300 0.053 0.000 1.177 204 R HN 0.918 nan 8.270 nan 0.000 0.451 205 E N 2.022 122.261 120.200 0.065 0.000 2.476 205 E HA -0.215 4.135 4.350 -0.000 0.000 0.251 205 E C 0.725 177.353 176.600 0.047 0.000 1.130 205 E CA 1.504 57.931 56.400 0.045 0.000 0.736 205 E CB -2.447 27.270 29.700 0.030 0.000 1.298 205 E HN 1.560 nan 8.360 nan 0.000 0.400 206 G N -1.785 107.063 108.800 0.080 0.000 2.184 206 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.264 206 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.264 206 G C 0.382 175.361 174.900 0.132 0.000 0.975 206 G CA 0.945 46.098 45.100 0.088 0.000 0.642 206 G HN 1.094 nan 8.290 nan 0.000 0.536 207 K N 0.472 120.929 120.400 0.095 0.000 2.138 207 K HA 0.696 5.016 4.320 -0.000 0.000 0.263 207 K C 0.365 176.888 176.600 -0.129 0.000 0.965 207 K CA -0.079 56.205 56.287 -0.005 0.000 0.868 207 K CB 1.828 34.303 32.500 -0.042 0.000 1.083 207 K HN 0.426 nan 8.250 nan 0.000 0.443 208 A N 2.396 125.014 122.820 -0.336 0.000 2.404 208 A HA 0.422 4.742 4.320 -0.000 0.000 0.273 208 A C -0.132 177.233 177.584 -0.366 0.000 1.144 208 A CA -0.405 51.219 52.037 -0.687 0.000 0.806 208 A CB -0.161 18.210 19.000 -1.048 0.000 1.080 208 A HN 0.522 nan 8.150 nan 0.000 0.509 209 V N 0.933 120.756 119.914 -0.152 0.000 3.049 209 V HA 0.683 4.803 4.120 -0.000 0.000 0.309 209 V C -0.765 175.438 176.094 0.182 0.000 1.148 209 V CA -0.839 61.493 62.300 0.053 0.000 0.990 209 V CB 1.291 33.140 31.823 0.043 0.000 1.039 209 V HN 0.948 nan 8.190 nan 0.000 0.430 210 H N 0.538 119.739 119.070 0.218 0.000 2.679 210 H HA 0.678 5.234 4.556 0.000 0.000 0.367 210 H C -0.467 174.962 175.328 0.170 0.000 1.162 210 H CA -0.971 55.160 56.048 0.137 0.000 1.181 210 H CB 2.298 32.029 29.762 -0.052 0.000 1.693 210 H HN 0.805 nan 8.280 nan 0.000 0.538 211 V N 2.509 122.617 119.914 0.323 0.000 2.694 211 V HA -0.031 4.089 4.120 -0.000 0.000 0.306 211 V C -0.173 176.048 176.094 0.211 0.000 1.054 211 V CA 0.415 62.861 62.300 0.245 0.000 1.161 211 V CB 0.695 32.670 31.823 0.253 0.000 0.916 211 V HN 0.748 nan 8.190 nan 0.000 0.490 212 S N 7.343 123.150 115.700 0.177 0.000 2.586 212 S HA 0.488 4.958 4.470 -0.000 0.000 0.274 212 S C -2.271 172.427 174.600 0.163 0.000 1.281 212 S CA -0.678 57.610 58.200 0.146 0.000 1.035 212 S CB 1.157 64.420 63.200 0.106 0.000 0.962 212 S HN 0.827 nan 8.310 nan 0.000 0.512 213 P HA 0.462 nan 4.420 nan 0.000 0.269 213 P C -0.142 177.218 177.300 0.100 0.000 1.209 213 P CA -0.054 63.102 63.100 0.093 0.000 0.776 213 P CB 0.472 32.205 31.700 0.055 0.000 0.876 214 G N 0.117 108.971 108.800 0.090 0.000 2.646 214 G HA2 0.545 4.505 3.960 -0.000 0.000 0.291 214 G HA3 0.545 4.505 3.960 -0.000 0.000 0.291 214 G C -1.397 173.517 174.900 0.023 0.000 1.445 214 G CA -0.476 44.676 45.100 0.087 0.000 0.814 214 G HN 0.532 nan 8.290 nan 0.000 0.495 215 A N 0.276 123.097 122.820 0.002 0.000 2.540 215 A HA 0.518 4.838 4.320 -0.000 0.000 0.239 215 A C 1.476 179.032 177.584 -0.047 0.000 1.061 215 A CA 0.671 52.691 52.037 -0.029 0.000 0.758 215 A CB -0.415 18.562 19.000 -0.038 0.000 0.991 215 A HN 1.770 nan 8.150 nan 0.000 0.502 216 L N 0.335 121.498 121.223 -0.100 0.000 4.179 216 L HA -0.341 3.999 4.340 -0.000 0.000 0.418 216 L C 1.311 178.000 176.870 -0.301 0.000 1.168 216 L CA 0.726 55.459 54.840 -0.178 0.000 0.972 216 L CB -1.751 40.254 42.059 -0.090 0.000 2.005 216 L HN 1.015 nan 8.230 nan 0.000 0.935 217 D N 0.318 120.506 120.400 -0.354 0.000 2.104 217 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 217 D C 1.971 177.851 176.300 -0.701 0.000 0.994 217 D CA 1.551 55.067 54.000 -0.807 0.000 0.830 217 D CB -0.161 40.338 40.800 -0.502 0.000 0.959 217 D HN 0.453 nan 8.370 nan 0.000 0.452 218 A N 0.727 123.320 122.820 -0.377 0.000 1.908 218 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 218 A C 2.081 179.520 177.584 -0.241 0.000 1.181 218 A CA 2.001 53.911 52.037 -0.210 0.000 0.627 218 A CB -0.685 18.289 19.000 -0.044 0.000 0.818 218 A HN 0.255 nan 8.150 nan 0.000 0.445 219 E N -0.637 119.228 120.200 -0.558 0.000 2.285 219 E HA 0.221 4.571 4.350 -0.000 0.000 0.194 219 E C 1.837 178.294 176.600 -0.238 0.000 0.997 219 E CA 0.967 56.962 56.400 -0.673 0.000 0.845 219 E CB -0.126 28.989 29.700 -0.976 0.000 0.782 219 E HN 0.600 nan 8.360 nan 0.000 0.491 220 A N -0.214 122.464 122.820 -0.237 0.000 2.013 220 A HA 0.122 4.442 4.320 -0.000 0.000 0.204 220 A C 0.677 178.325 177.584 0.105 0.000 1.262 220 A CA 0.411 52.430 52.037 -0.031 0.000 0.800 220 A CB 0.058 19.100 19.000 0.070 0.000 0.909 220 A HN 0.375 nan 8.150 nan 0.000 0.472 221 Y N -3.857 116.469 120.300 0.043 0.000 2.990 221 Y HA 0.497 5.047 4.550 -0.000 0.000 0.240 221 Y C 0.734 176.664 175.900 0.049 0.000 1.060 221 Y CA -0.484 57.657 58.100 0.067 0.000 1.167 221 Y CB -0.387 38.118 38.460 0.074 0.000 1.242 221 Y HN -0.002 nan 8.280 nan 0.000 0.650 222 G N 0.592 109.297 108.800 -0.158 0.000 3.233 222 G HA2 0.354 4.314 3.960 -0.000 0.000 0.234 222 G HA3 0.354 4.314 3.960 -0.000 0.000 0.234 222 G C -0.257 174.621 174.900 -0.037 0.000 1.137 222 G CA 0.061 45.102 45.100 -0.099 0.000 0.763 222 G HN 0.129 nan 8.290 nan 0.000 0.549 223 V N 0.757 120.657 119.914 -0.023 0.000 2.546 223 V HA 0.414 4.534 4.120 -0.000 0.000 0.284 223 V C -0.334 175.695 176.094 -0.108 0.000 1.050 223 V CA -0.486 61.758 62.300 -0.093 0.000 0.981 223 V CB 1.328 33.031 31.823 -0.200 0.000 0.990 223 V HN 0.117 nan 8.190 nan 0.000 0.474 224 K N 2.666 122.973 120.400 -0.156 0.000 2.270 224 K HA 0.820 5.140 4.320 -0.000 0.000 0.255 224 K C -0.583 175.926 176.600 -0.151 0.000 0.936 224 K CA -0.235 55.961 56.287 -0.151 0.000 0.809 224 K CB 2.060 34.402 32.500 -0.263 0.000 1.131 224 K HN 0.754 nan 8.250 nan 0.000 0.427 225 S N -0.504 115.163 115.700 -0.056 0.000 2.705 225 S HA 0.590 5.060 4.470 -0.000 0.000 0.280 225 S C -1.019 173.655 174.600 0.123 0.000 1.174 225 S CA -1.034 57.134 58.200 -0.053 0.000 0.823 225 S CB 1.555 64.684 63.200 -0.118 0.000 1.162 225 S HN 0.726 nan 8.310 nan 0.000 0.487 226 T N -1.310 113.304 114.554 0.100 0.000 2.952 226 T HA 0.585 4.935 4.350 -0.000 0.000 0.286 226 T C 0.963 175.760 174.700 0.162 0.000 1.024 226 T CA -0.588 61.614 62.100 0.170 0.000 1.029 226 T CB 0.703 69.610 68.868 0.065 0.000 1.094 226 T HN 0.331 nan 8.240 nan 0.000 0.515 227 I N 0.711 121.390 120.570 0.182 0.000 2.454 227 I HA -0.042 4.128 4.170 -0.000 0.000 0.254 227 I C 2.264 178.517 176.117 0.226 0.000 1.156 227 I CA 1.470 62.886 61.300 0.193 0.000 1.433 227 I CB -0.581 37.552 38.000 0.222 0.000 1.082 227 I HN 0.826 nan 8.210 nan 0.000 0.432 228 E N -0.079 120.159 120.200 0.062 0.000 2.072 228 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 228 E C 1.688 178.369 176.600 0.135 0.000 0.982 228 E CA 1.328 57.758 56.400 0.052 0.000 0.803 228 E CB -0.129 29.442 29.700 -0.214 0.000 0.755 228 E HN 0.471 nan 8.360 nan 0.000 0.453 229 D N 0.241 120.689 120.400 0.080 0.000 2.117 229 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 229 D C 1.850 178.260 176.300 0.182 0.000 0.982 229 D CA 0.924 54.971 54.000 0.078 0.000 0.828 229 D CB -0.021 40.756 40.800 -0.038 0.000 0.967 229 D HN 0.069 nan 8.370 nan 0.000 0.464 230 M N 0.365 120.090 119.600 0.208 0.000 2.213 230 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 230 M C 2.205 178.681 176.300 0.294 0.000 1.062 230 M CA 0.685 56.168 55.300 0.306 0.000 1.105 230 M CB -1.073 31.685 32.600 0.264 0.000 1.385 230 M HN -0.025 nan 8.290 nan 0.000 0.417 231 A N -0.181 122.784 122.820 0.242 0.000 1.902 231 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 231 A C 2.391 180.046 177.584 0.118 0.000 1.181 231 A CA 1.773 53.911 52.037 0.167 0.000 0.623 231 A CB -0.662 18.463 19.000 0.208 0.000 0.818 231 A HN 0.450 nan 8.150 nan 0.000 0.443 232 R N -1.357 119.239 120.500 0.161 0.000 2.092 232 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 232 R C 2.146 178.550 176.300 0.175 0.000 1.119 232 R CA 1.481 57.658 56.100 0.127 0.000 0.970 232 R CB -0.372 30.006 30.300 0.130 0.000 0.864 232 R HN 0.837 nan 8.270 nan 0.000 0.440 233 W N 0.430 121.755 121.300 0.042 0.000 2.358 233 W HA -0.209 4.451 4.660 0.000 0.000 0.303 233 W C 1.381 177.854 176.519 -0.076 0.000 1.208 233 W CA 1.172 58.541 57.345 0.040 0.000 1.274 233 W CB -0.037 29.499 29.460 0.127 0.000 1.138 233 W HN -0.033 nan 8.180 nan 0.000 0.515 234 V N 1.417 121.274 119.914 -0.095 0.000 2.343 234 V HA -0.343 3.777 4.120 -0.000 0.000 0.247 234 V C 2.392 178.160 176.094 -0.543 0.000 1.051 234 V CA 2.302 64.346 62.300 -0.427 0.000 1.036 234 V CB -1.036 30.661 31.823 -0.211 0.000 0.654 234 V HN 0.252 nan 8.190 nan 0.000 0.451 235 Q N -0.263 119.361 119.800 -0.294 0.000 2.124 235 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 235 Q C 2.484 178.300 176.000 -0.307 0.000 0.977 235 Q CA 1.909 57.552 55.803 -0.267 0.000 0.850 235 Q CB -0.284 28.368 28.738 -0.143 0.000 0.901 235 Q HN 0.606 nan 8.270 nan 0.000 0.429 236 S N 1.037 116.567 115.700 -0.283 0.000 2.356 236 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 236 S C 1.583 175.929 174.600 -0.423 0.000 1.032 236 S CA 1.025 59.065 58.200 -0.267 0.000 1.005 236 S CB -0.231 62.875 63.200 -0.155 0.000 0.867 236 S HN 0.388 nan 8.310 nan 0.000 0.449 237 N N 1.107 119.383 118.700 -0.706 0.000 2.396 237 N HA 0.084 4.824 4.740 -0.000 0.000 0.180 237 N C 1.592 176.626 175.510 -0.793 0.000 1.028 237 N CA 0.526 53.079 53.050 -0.829 0.000 0.893 237 N CB -0.171 37.576 38.487 -1.232 0.000 0.967 237 N HN 0.337 nan 8.380 nan 0.000 0.440 238 L N 1.235 121.987 121.223 -0.785 0.000 2.072 238 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 238 L C 1.275 177.967 176.870 -0.295 0.000 1.079 238 L CA 1.079 55.605 54.840 -0.523 0.000 0.752 238 L CB -0.022 41.771 42.059 -0.443 0.000 0.906 238 L HN 0.091 nan 8.230 nan 0.000 0.436 239 K N 0.156 120.397 120.400 -0.266 0.000 2.753 239 K HA 0.286 4.606 4.320 -0.000 0.000 0.185 239 K C -2.179 174.329 176.600 -0.153 0.000 1.071 239 K CA -1.093 55.088 56.287 -0.177 0.000 0.999 239 K CB -0.046 32.367 32.500 -0.146 0.000 1.244 239 K HN -0.030 nan 8.250 nan 0.000 0.594 240 P HA -0.130 nan 4.420 nan 0.000 0.225 240 P C 1.131 178.386 177.300 -0.074 0.000 1.148 240 P CA 0.585 63.618 63.100 -0.111 0.000 0.779 240 P CB 0.108 31.747 31.700 -0.102 0.000 0.780 241 L N -0.083 121.096 121.223 -0.073 0.000 2.275 241 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 241 L C 1.775 178.616 176.870 -0.049 0.000 1.119 241 L CA 1.179 55.986 54.840 -0.055 0.000 0.790 241 L CB -0.774 41.253 42.059 -0.054 0.000 0.919 241 L HN -0.067 nan 8.230 nan 0.000 0.443 242 D N 0.101 120.466 120.400 -0.058 0.000 2.349 242 D HA 0.149 4.789 4.640 -0.000 0.000 0.224 242 D C 0.773 177.050 176.300 -0.038 0.000 1.029 242 D CA 0.424 54.395 54.000 -0.049 0.000 0.879 242 D CB 0.372 41.136 40.800 -0.059 0.000 0.906 242 D HN 0.281 nan 8.370 nan 0.000 0.528 243 I N 1.204 121.753 120.570 -0.035 0.000 2.395 243 I HA 0.052 4.222 4.170 -0.000 0.000 0.289 243 I C 1.438 177.548 176.117 -0.011 0.000 1.023 243 I CA -0.241 61.048 61.300 -0.018 0.000 1.350 243 I CB 1.025 39.019 38.000 -0.011 0.000 1.409 243 I HN -0.211 nan 8.210 nan 0.000 0.507 244 N N 3.503 122.199 118.700 -0.006 0.000 2.135 244 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 244 N C -0.186 175.322 175.510 -0.002 0.000 1.027 244 N CA 0.572 53.619 53.050 -0.006 0.000 0.849 244 N CB 0.100 38.584 38.487 -0.005 0.000 1.002 244 N HN 0.547 nan 8.380 nan 0.000 0.425 245 E N 1.306 121.508 120.200 0.003 0.000 2.341 245 E HA 0.023 4.373 4.350 -0.000 0.000 0.256 245 E C 1.024 177.628 176.600 0.006 0.000 1.125 245 E CA 0.134 56.537 56.400 0.005 0.000 0.939 245 E CB 0.323 30.029 29.700 0.011 0.000 0.991 245 E HN 0.241 nan 8.360 nan 0.000 0.458 246 K N 2.633 123.034 120.400 0.002 0.000 2.034 246 K HA -0.246 4.074 4.320 -0.000 0.000 0.214 246 K C 2.058 178.663 176.600 0.008 0.000 1.051 246 K CA 2.486 58.775 56.287 0.002 0.000 0.931 246 K CB -1.710 30.790 32.500 0.000 0.000 0.715 246 K HN 0.686 nan 8.250 nan 0.000 0.446 247 T N -0.891 113.669 114.554 0.010 0.000 2.867 247 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 247 T C 1.967 176.683 174.700 0.027 0.000 1.057 247 T CA 1.341 63.450 62.100 0.016 0.000 1.136 247 T CB -0.175 68.699 68.868 0.009 0.000 0.874 247 T HN 0.244 nan 8.240 nan 0.000 0.466 248 L N 1.094 122.335 121.223 0.029 0.000 2.109 248 L HA 0.152 4.492 4.340 -0.000 0.000 0.207 248 L C 2.766 179.664 176.870 0.047 0.000 1.086 248 L CA 1.672 56.541 54.840 0.050 0.000 0.760 248 L CB -0.976 41.117 42.059 0.056 0.000 0.910 248 L HN 0.391 nan 8.230 nan 0.000 0.437 249 Q N -0.870 118.945 119.800 0.024 0.000 2.084 249 Q HA -0.295 4.045 4.340 -0.000 0.000 0.202 249 Q C 2.282 178.289 176.000 0.012 0.000 0.978 249 Q CA 2.134 57.941 55.803 0.007 0.000 0.844 249 Q CB -0.216 28.519 28.738 -0.005 0.000 0.898 249 Q HN 0.705 nan 8.270 nan 0.000 0.426 250 Q N -0.766 119.047 119.800 0.021 0.000 2.119 250 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 250 Q C 1.932 177.964 176.000 0.053 0.000 0.972 250 Q CA 1.408 57.228 55.803 0.029 0.000 0.847 250 Q CB -0.301 28.453 28.738 0.027 0.000 0.903 250 Q HN 0.547 nan 8.270 nan 0.000 0.433 251 G N 0.932 109.772 108.800 0.067 0.000 2.422 251 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 251 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 251 G C 1.377 176.353 174.900 0.128 0.000 1.146 251 G CA 0.780 45.942 45.100 0.103 0.000 0.769 251 G HN 0.355 nan 8.290 nan 0.000 0.547 252 I N -0.002 120.626 120.570 0.096 0.000 2.252 252 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 252 I C 2.994 179.154 176.117 0.072 0.000 1.102 252 I CA 1.100 62.450 61.300 0.083 0.000 1.385 252 I CB -0.238 37.753 38.000 -0.015 0.000 1.064 252 I HN 0.225 nan 8.210 nan 0.000 0.414 253 Q N 0.432 120.255 119.800 0.038 0.000 2.124 253 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 253 Q C 2.355 178.390 176.000 0.058 0.000 0.977 253 Q CA 1.336 57.152 55.803 0.021 0.000 0.850 253 Q CB -0.035 28.702 28.738 -0.001 0.000 0.901 253 Q HN 0.524 nan 8.270 nan 0.000 0.429 254 L N -0.335 120.949 121.223 0.102 0.000 2.141 254 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 254 L C 2.312 179.337 176.870 0.257 0.000 1.094 254 L CA 0.739 55.676 54.840 0.161 0.000 0.763 254 L CB -0.411 41.754 42.059 0.177 0.000 0.908 254 L HN 0.190 nan 8.230 nan 0.000 0.437 255 A N -0.845 122.130 122.820 0.259 0.000 2.119 255 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 255 A C 2.039 179.860 177.584 0.395 0.000 1.153 255 A CA 1.020 53.272 52.037 0.358 0.000 0.692 255 A CB -0.195 19.052 19.000 0.411 0.000 0.799 255 A HN 0.481 nan 8.150 nan 0.000 0.458 256 Q N -0.042 119.897 119.800 0.231 0.000 2.282 256 Q HA 0.182 4.522 4.340 -0.000 0.000 0.206 256 Q C -0.150 175.863 176.000 0.022 0.000 0.878 256 Q CA -0.294 55.579 55.803 0.117 0.000 0.944 256 Q CB 0.466 29.194 28.738 -0.016 0.000 1.100 256 Q HN 0.504 nan 8.270 nan 0.000 0.509 257 S N 0.988 116.676 115.700 -0.019 0.000 2.585 257 S HA 0.229 4.699 4.470 -0.000 0.000 0.273 257 S C 0.057 174.435 174.600 -0.370 0.000 1.339 257 S CA -0.220 57.817 58.200 -0.272 0.000 1.028 257 S CB 0.623 63.540 63.200 -0.472 0.000 0.906 257 S HN 0.224 nan 8.310 nan 0.000 0.528 258 R N 1.432 121.697 120.500 -0.392 0.000 2.204 258 R HA 0.235 4.575 4.340 -0.000 0.000 0.341 258 R C -0.360 175.743 176.300 -0.329 0.000 1.035 258 R CA -0.120 55.847 56.100 -0.222 0.000 0.887 258 R CB 0.310 30.464 30.300 -0.243 0.000 1.114 258 R HN 0.687 nan 8.270 nan 0.000 0.473 259 Y N 0.727 121.024 120.300 -0.004 0.000 2.479 259 Y HA 0.130 4.680 4.550 0.000 0.000 0.283 259 Y C 0.133 175.725 175.900 -0.514 0.000 1.109 259 Y CA 0.330 58.261 58.100 -0.280 0.000 1.239 259 Y CB 0.502 38.795 38.460 -0.278 0.000 1.108 259 Y HN 0.466 nan 8.280 nan 0.000 0.548 260 W N -0.378 121.102 121.300 0.299 0.000 3.107 260 W HA 0.570 5.230 4.660 0.000 0.000 0.331 260 W C -0.921 175.722 176.519 0.206 0.000 1.204 260 W CA -1.016 56.463 57.345 0.223 0.000 1.184 260 W CB 1.088 30.663 29.460 0.192 0.000 1.421 260 W HN -0.471 nan 8.180 nan 0.000 0.544 261 Q N 1.323 121.341 119.800 0.364 0.000 2.337 261 Q HA 0.623 4.963 4.340 -0.000 0.000 0.270 261 Q C -1.315 174.717 176.000 0.053 0.000 1.043 261 Q CA -0.461 55.397 55.803 0.091 0.000 0.794 261 Q CB 2.464 31.199 28.738 -0.005 0.000 1.281 261 Q HN 0.468 nan 8.270 nan 0.000 0.446 262 T N 2.640 117.170 114.554 -0.039 0.000 3.066 262 T HA 0.597 4.947 4.350 -0.000 0.000 0.318 262 T C 0.239 174.889 174.700 -0.083 0.000 0.979 262 T CA 0.765 62.846 62.100 -0.032 0.000 1.025 262 T CB 0.413 69.281 68.868 0.001 0.000 1.002 262 T HN 1.045 nan 8.240 nan 0.000 0.453 263 G N 5.487 114.233 108.800 -0.089 0.000 2.523 263 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.271 263 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.271 263 G C 0.119 174.927 174.900 -0.154 0.000 1.146 263 G CA 0.733 45.775 45.100 -0.096 0.000 0.961 263 G HN 1.004 nan 8.290 nan 0.000 0.549 264 D N -0.226 120.084 120.400 -0.151 0.000 2.424 264 D HA 0.444 5.084 4.640 -0.000 0.000 0.220 264 D C 0.974 177.129 176.300 -0.241 0.000 1.150 264 D CA 0.088 53.977 54.000 -0.184 0.000 0.831 264 D CB 0.306 41.048 40.800 -0.097 0.000 0.981 264 D HN 0.532 nan 8.370 nan 0.000 0.500 265 M N 1.035 120.487 119.600 -0.247 0.000 2.404 265 M HA 0.411 4.891 4.480 -0.000 0.000 0.338 265 M C -1.702 174.443 176.300 -0.260 0.000 1.150 265 M CA -0.560 54.664 55.300 -0.126 0.000 1.016 265 M CB 1.473 34.094 32.600 0.035 0.000 1.672 265 M HN -0.087 nan 8.290 nan 0.000 0.448 266 Y N 1.789 122.192 120.300 0.172 0.000 2.393 266 Y HA 0.417 4.967 4.550 0.000 0.000 0.341 266 Y C -0.265 175.793 175.900 0.263 0.000 0.988 266 Y CA -0.697 57.519 58.100 0.194 0.000 1.078 266 Y CB 1.645 40.186 38.460 0.135 0.000 1.203 266 Y HN 0.583 nan 8.280 nan 0.000 0.453 267 Q N 1.693 121.781 119.800 0.480 0.000 2.257 267 Q HA 0.640 4.980 4.340 -0.000 0.000 0.255 267 Q C -0.186 176.123 176.000 0.515 0.000 0.920 267 Q CA -0.278 55.817 55.803 0.486 0.000 0.927 267 Q CB 1.429 30.480 28.738 0.522 0.000 1.229 267 Q HN 0.894 nan 8.270 nan 0.000 0.433 268 G N 2.535 111.614 108.800 0.465 0.000 2.990 268 G HA2 0.505 4.465 3.960 -0.000 0.000 0.208 268 G HA3 0.505 4.465 3.960 -0.000 0.000 0.208 268 G C -1.041 174.068 174.900 0.349 0.000 1.334 268 G CA -0.872 44.531 45.100 0.505 0.000 1.024 268 G HN 0.579 nan 8.290 nan 0.000 0.574 269 L N 1.372 122.773 121.223 0.296 0.000 2.288 269 L HA 0.453 4.793 4.340 -0.000 0.000 0.283 269 L C 1.356 178.293 176.870 0.112 0.000 1.072 269 L CA 0.473 55.352 54.840 0.065 0.000 0.862 269 L CB 0.337 42.422 42.059 0.044 0.000 1.245 269 L HN 1.071 nan 8.230 nan 0.000 0.432 270 G N 1.881 110.726 108.800 0.075 0.000 3.909 270 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 270 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 270 G C 0.002 174.979 174.900 0.128 0.000 1.404 270 G CA -0.279 44.860 45.100 0.065 0.000 0.905 270 G HN 0.489 nan 8.290 nan 0.000 0.589 271 W N 2.178 123.618 121.300 0.233 0.000 2.126 271 W HA 0.594 5.254 4.660 -0.000 0.000 0.346 271 W C 0.775 177.448 176.519 0.256 0.000 1.279 271 W CA -0.169 57.307 57.345 0.219 0.000 1.259 271 W CB 0.428 29.986 29.460 0.165 0.000 1.133 271 W HN 0.300 nan 8.180 nan 0.000 0.592 272 E N 1.360 121.917 120.200 0.594 0.000 2.266 272 E HA 0.530 4.880 4.350 -0.000 0.000 0.268 272 E C -0.893 175.995 176.600 0.480 0.000 0.879 272 E CA -1.090 55.616 56.400 0.509 0.000 0.762 272 E CB 1.888 31.878 29.700 0.483 0.000 1.199 272 E HN 0.166 nan 8.360 nan 0.000 0.422 273 M N 1.804 121.635 119.600 0.385 0.000 2.658 273 M HA 0.553 5.033 4.480 -0.000 0.000 0.295 273 M C -1.510 175.006 176.300 0.359 0.000 1.248 273 M CA -0.476 54.992 55.300 0.280 0.000 0.843 273 M CB 1.682 34.379 32.600 0.162 0.000 1.749 273 M HN 0.320 nan 8.290 nan 0.000 0.464 274 L N 0.147 121.548 121.223 0.297 0.000 2.466 274 L HA 0.510 4.850 4.340 -0.000 0.000 0.258 274 L C -1.018 176.025 176.870 0.288 0.000 0.973 274 L CA -0.684 54.342 54.840 0.310 0.000 0.826 274 L CB 2.010 44.156 42.059 0.144 0.000 1.372 274 L HN 0.544 nan 8.230 nan 0.000 0.409 275 D N 0.959 121.527 120.400 0.280 0.000 2.443 275 D HA 0.009 4.649 4.640 -0.000 0.000 0.239 275 D C -0.953 175.495 176.300 0.246 0.000 1.136 275 D CA 0.296 54.422 54.000 0.211 0.000 0.879 275 D CB 1.124 42.019 40.800 0.159 0.000 1.195 275 D HN 0.360 nan 8.370 nan 0.000 0.443 276 W N 3.974 125.327 121.300 0.088 0.000 2.573 276 W HA 0.301 4.961 4.660 -0.000 0.000 0.326 276 W C -2.383 174.184 176.519 0.081 0.000 1.049 276 W CA -1.956 55.459 57.345 0.116 0.000 1.220 276 W CB 1.367 30.917 29.460 0.149 0.000 1.373 276 W HN 0.220 nan 8.180 nan 0.000 0.507 277 P HA 0.056 nan 4.420 nan 0.000 0.268 277 P C -0.670 176.270 177.300 -0.600 0.000 1.204 277 P CA 0.089 62.374 63.100 -1.358 0.000 0.768 277 P CB 2.048 33.181 31.700 -0.946 0.000 0.842 278 V N 2.913 122.513 119.914 -0.523 0.000 2.973 278 V HA 0.303 4.423 4.120 -0.000 0.000 0.314 278 V C 0.169 176.012 176.094 -0.417 0.000 1.066 278 V CA -0.956 61.181 62.300 -0.272 0.000 1.021 278 V CB 1.526 33.260 31.823 -0.149 0.000 1.076 278 V HN 0.630 nan 8.190 nan 0.000 0.462 279 N N 4.493 122.965 118.700 -0.380 0.000 2.420 279 N HA 0.350 5.090 4.740 -0.000 0.000 0.249 279 N C -1.962 173.196 175.510 -0.586 0.000 1.033 279 N CA -1.671 51.122 53.050 -0.429 0.000 0.944 279 N CB 1.797 40.113 38.487 -0.285 0.000 1.113 279 N HN 0.367 nan 8.380 nan 0.000 0.502 280 P HA -0.179 nan 4.420 nan 0.000 0.217 280 P C 0.590 177.540 177.300 -0.585 0.000 1.162 280 P CA 1.367 63.817 63.100 -1.083 0.000 0.901 280 P CB 0.361 31.202 31.700 -1.433 0.000 0.793 281 D N -1.118 119.026 120.400 -0.427 0.000 2.182 281 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 281 D C 1.983 178.149 176.300 -0.224 0.000 0.986 281 D CA 1.192 55.031 54.000 -0.269 0.000 0.847 281 D CB -0.506 40.171 40.800 -0.205 0.000 0.942 281 D HN 0.170 nan 8.370 nan 0.000 0.467 282 S N 0.746 116.298 115.700 -0.247 0.000 2.368 282 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 282 S C 2.275 176.778 174.600 -0.161 0.000 1.030 282 S CA 0.837 58.926 58.200 -0.186 0.000 0.999 282 S CB -0.156 62.931 63.200 -0.187 0.000 0.844 282 S HN 0.452 nan 8.310 nan 0.000 0.459 283 I N -0.963 119.467 120.570 -0.233 0.000 2.585 283 I HA 0.072 4.242 4.170 -0.000 0.000 0.254 283 I C 1.969 178.039 176.117 -0.078 0.000 1.129 283 I CA 0.874 62.084 61.300 -0.150 0.000 1.455 283 I CB -0.503 37.287 38.000 -0.349 0.000 1.111 283 I HN 0.136 nan 8.210 nan 0.000 0.433 284 I N 2.169 122.642 120.570 -0.160 0.000 2.163 284 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 284 I C 2.255 178.320 176.117 -0.086 0.000 1.081 284 I CA 1.532 62.763 61.300 -0.115 0.000 1.353 284 I CB -0.624 37.287 38.000 -0.148 0.000 1.054 284 I HN 0.312 nan 8.210 nan 0.000 0.407 285 N N 0.988 119.629 118.700 -0.098 0.000 2.331 285 N HA -0.073 4.667 4.740 -0.000 0.000 0.180 285 N C 1.830 177.305 175.510 -0.058 0.000 1.019 285 N CA 1.328 54.333 53.050 -0.075 0.000 0.881 285 N CB -0.281 38.157 38.487 -0.081 0.000 0.972 285 N HN 0.413 nan 8.380 nan 0.000 0.435 286 G N 0.044 108.815 108.800 -0.049 0.000 2.484 286 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 286 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 286 G C 1.608 176.500 174.900 -0.013 0.000 1.130 286 G CA 0.332 45.419 45.100 -0.023 0.000 0.784 286 G HN 0.224 nan 8.290 nan 0.000 0.543 287 S N 0.243 115.936 115.700 -0.011 0.000 2.453 287 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 287 S C 0.988 175.545 174.600 -0.072 0.000 1.005 287 S CA -0.119 58.059 58.200 -0.036 0.000 0.949 287 S CB -0.077 63.093 63.200 -0.049 0.000 0.774 287 S HN 0.456 nan 8.310 nan 0.000 0.510 288 D N 2.227 122.590 120.400 -0.063 0.000 2.531 288 D HA -0.016 4.624 4.640 -0.000 0.000 0.239 288 D C 0.850 177.111 176.300 -0.064 0.000 1.144 288 D CA 0.121 54.085 54.000 -0.060 0.000 0.869 288 D CB 0.344 41.116 40.800 -0.047 0.000 1.160 288 D HN 0.008 nan 8.370 nan 0.000 0.484 289 N N 3.851 122.512 118.700 -0.064 0.000 2.049 289 N HA -0.278 4.462 4.740 -0.000 0.000 0.198 289 N C 1.786 177.270 175.510 -0.044 0.000 1.030 289 N CA 2.424 55.436 53.050 -0.063 0.000 0.870 289 N CB -0.417 38.046 38.487 -0.039 0.000 1.045 289 N HN 0.672 nan 8.380 nan 0.000 0.434 290 K N 1.047 121.430 120.400 -0.028 0.000 2.293 290 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 290 K C 2.065 178.652 176.600 -0.021 0.000 1.045 290 K CA 1.468 57.745 56.287 -0.017 0.000 0.933 290 K CB -0.684 31.807 32.500 -0.014 0.000 0.736 290 K HN 0.348 nan 8.250 nan 0.000 0.463 291 I N -1.281 119.268 120.570 -0.035 0.000 2.947 291 I HA 0.094 4.264 4.170 -0.000 0.000 0.263 291 I C 2.825 178.912 176.117 -0.049 0.000 1.130 291 I CA 0.679 61.957 61.300 -0.037 0.000 1.448 291 I CB 0.177 38.154 38.000 -0.039 0.000 1.222 291 I HN 0.276 nan 8.210 nan 0.000 0.453 292 A N 0.676 123.448 122.820 -0.081 0.000 2.121 292 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 292 A C 1.719 179.208 177.584 -0.157 0.000 1.154 292 A CA 1.327 53.281 52.037 -0.140 0.000 0.679 292 A CB -0.315 18.555 19.000 -0.217 0.000 0.795 292 A HN 0.354 nan 8.150 nan 0.000 0.458 293 L N -1.206 119.971 121.223 -0.077 0.000 2.693 293 L HA 0.391 4.731 4.340 -0.000 0.000 0.235 293 L C 1.119 178.018 176.870 0.047 0.000 1.127 293 L CA 0.284 55.130 54.840 0.010 0.000 0.914 293 L CB -0.473 41.608 42.059 0.036 0.000 1.193 293 L HN 0.271 nan 8.230 nan 0.000 0.502 294 A N 0.150 122.982 122.820 0.020 0.000 2.304 294 A HA 0.751 5.071 4.320 -0.000 0.000 0.271 294 A C 0.425 178.029 177.584 0.032 0.000 1.091 294 A CA -0.040 52.015 52.037 0.031 0.000 0.812 294 A CB 0.314 19.317 19.000 0.005 0.000 1.056 294 A HN 0.209 nan 8.150 nan 0.000 0.489 295 A N 1.807 124.651 122.820 0.040 0.000 2.354 295 A HA 0.582 4.902 4.320 -0.000 0.000 0.281 295 A C 0.186 177.689 177.584 -0.135 0.000 1.174 295 A CA -0.305 51.715 52.037 -0.028 0.000 0.828 295 A CB -0.003 19.014 19.000 0.028 0.000 1.099 295 A HN 0.646 nan 8.150 nan 0.000 0.516 296 R N 3.139 123.536 120.500 -0.172 0.000 2.575 296 R HA 0.471 4.811 4.340 -0.000 0.000 0.293 296 R C -3.136 173.035 176.300 -0.215 0.000 0.983 296 R CA -2.204 53.799 56.100 -0.161 0.000 0.887 296 R CB 2.115 32.365 30.300 -0.084 0.000 1.184 296 R HN 0.524 nan 8.270 nan 0.000 0.445 297 P HA 0.093 nan 4.420 nan 0.000 0.271 297 P C -0.223 177.014 177.300 -0.105 0.000 1.216 297 P CA -0.211 62.769 63.100 -0.199 0.000 0.776 297 P CB 0.966 32.568 31.700 -0.163 0.000 0.881 298 V N -0.162 119.704 119.914 -0.080 0.000 2.864 298 V HA 0.595 4.715 4.120 -0.000 0.000 0.314 298 V C -0.194 176.002 176.094 0.169 0.000 1.073 298 V CA -1.223 61.103 62.300 0.044 0.000 0.956 298 V CB 2.046 33.882 31.823 0.020 0.000 1.023 298 V HN 0.453 nan 8.190 nan 0.000 0.435 299 K N 2.491 123.031 120.400 0.232 0.000 2.185 299 K HA 0.784 5.104 4.320 -0.000 0.000 0.269 299 K C -0.033 176.793 176.600 0.375 0.000 0.987 299 K CA -0.294 56.136 56.287 0.238 0.000 0.865 299 K CB 1.590 34.174 32.500 0.140 0.000 1.090 299 K HN 1.188 nan 8.250 nan 0.000 0.450 300 A N 5.117 128.135 122.820 0.331 0.000 2.401 300 A HA 0.340 4.660 4.320 -0.000 0.000 0.259 300 A C -0.136 177.438 177.584 -0.016 0.000 1.103 300 A CA -0.516 51.583 52.037 0.105 0.000 0.789 300 A CB 0.030 19.064 19.000 0.055 0.000 1.035 300 A HN 0.797 nan 8.150 nan 0.000 0.491 301 I N 2.864 123.347 120.570 -0.146 0.000 2.307 301 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 301 I C -0.237 175.799 176.117 -0.135 0.000 1.054 301 I CA 0.074 61.322 61.300 -0.086 0.000 1.218 301 I CB 0.981 38.940 38.000 -0.068 0.000 1.398 301 I HN 0.525 nan 8.210 nan 0.000 0.475 302 T N 6.624 121.131 114.554 -0.078 0.000 2.821 302 T HA 0.407 4.757 4.350 -0.000 0.000 0.307 302 T C -1.599 173.074 174.700 -0.046 0.000 1.034 302 T CA -0.945 61.115 62.100 -0.066 0.000 0.953 302 T CB 0.867 69.714 68.868 -0.035 0.000 0.968 302 T HN 0.469 nan 8.240 nan 0.000 0.462 303 P HA 0.504 nan 4.420 nan 0.000 0.281 303 P C -2.865 174.364 177.300 -0.118 0.000 1.281 303 P CA -1.836 61.219 63.100 -0.075 0.000 0.811 303 P CB 0.162 31.830 31.700 -0.053 0.000 1.154 304 P HA 0.023 nan 4.420 nan 0.000 0.267 304 P C -0.353 176.795 177.300 -0.253 0.000 1.200 304 P CA 0.245 63.174 63.100 -0.286 0.000 0.772 304 P CB 0.059 31.454 31.700 -0.508 0.000 0.855 305 T N 4.135 118.528 114.554 -0.269 0.000 2.780 305 T HA 0.301 4.651 4.350 -0.000 0.000 0.294 305 T C -2.170 172.391 174.700 -0.232 0.000 0.949 305 T CA -1.201 60.768 62.100 -0.218 0.000 1.074 305 T CB -0.076 68.659 68.868 -0.221 0.000 0.910 305 T HN 0.314 nan 8.240 nan 0.000 0.501 306 P HA 0.199 nan 4.420 nan 0.000 0.267 306 P C -0.341 176.878 177.300 -0.135 0.000 1.200 306 P CA -0.403 62.614 63.100 -0.139 0.000 0.772 306 P CB 0.270 31.913 31.700 -0.095 0.000 0.855 307 A N 2.918 125.670 122.820 -0.114 0.000 2.608 307 A HA -0.019 4.301 4.320 -0.000 0.000 0.246 307 A C 0.177 177.699 177.584 -0.104 0.000 0.998 307 A CA 0.412 52.388 52.037 -0.102 0.000 0.796 307 A CB -0.778 18.177 19.000 -0.074 0.000 0.895 307 A HN 0.378 nan 8.150 nan 0.000 0.508 308 V N 4.519 124.364 119.914 -0.116 0.000 2.364 308 V HA 0.447 4.567 4.120 -0.000 0.000 0.272 308 V C 1.886 177.937 176.094 -0.072 0.000 1.036 308 V CA 0.230 62.471 62.300 -0.098 0.000 0.880 308 V CB 0.409 32.159 31.823 -0.122 0.000 0.991 308 V HN 1.223 nan 8.190 nan 0.000 0.460 309 R N 4.202 124.668 120.500 -0.056 0.000 2.103 309 R HA -0.049 4.291 4.340 -0.000 0.000 0.242 309 R C 1.518 177.802 176.300 -0.028 0.000 1.142 309 R CA 1.727 57.797 56.100 -0.049 0.000 0.960 309 R CB -0.981 29.294 30.300 -0.042 0.000 0.858 309 R HN 1.072 nan 8.270 nan 0.000 0.439 310 A N 1.252 124.084 122.820 0.020 0.000 3.077 310 A HA 0.514 4.834 4.320 -0.000 0.000 0.255 310 A C -0.281 177.399 177.584 0.159 0.000 1.728 310 A CA 0.113 52.218 52.037 0.114 0.000 1.383 310 A CB -0.355 18.732 19.000 0.145 0.000 1.097 310 A HN 0.464 nan 8.150 nan 0.000 0.634 311 S N 0.124 115.873 115.700 0.082 0.000 2.599 311 S HA 0.569 5.039 4.470 -0.000 0.000 0.287 311 S C -1.021 173.623 174.600 0.073 0.000 1.105 311 S CA -0.584 57.678 58.200 0.104 0.000 0.899 311 S CB 1.271 64.456 63.200 -0.025 0.000 1.100 311 S HN 0.668 nan 8.310 nan 0.000 0.482 312 W N 3.652 124.936 121.300 -0.026 0.000 2.278 312 W HA 0.559 5.219 4.660 -0.000 0.000 0.317 312 W C -1.844 174.488 176.519 -0.311 0.000 1.030 312 W CA -0.621 56.649 57.345 -0.125 0.000 1.334 312 W CB 0.435 29.950 29.460 0.091 0.000 1.215 312 W HN 0.336 nan 8.180 nan 0.000 0.405 313 V N 7.632 127.071 119.914 -0.791 0.000 2.439 313 V HA 0.426 4.546 4.120 -0.000 0.000 0.282 313 V C 0.128 175.753 176.094 -0.782 0.000 1.039 313 V CA -0.192 61.581 62.300 -0.878 0.000 0.913 313 V CB 1.047 31.852 31.823 -1.695 0.000 0.983 313 V HN 0.667 nan 8.190 nan 0.000 0.460 314 H N 2.422 121.376 119.070 -0.193 0.000 2.948 314 H HA 0.897 5.453 4.556 0.000 0.000 0.315 314 H C -1.273 174.297 175.328 0.404 0.000 1.360 314 H CA -1.320 54.754 56.048 0.043 0.000 1.125 314 H CB 2.185 32.025 29.762 0.130 0.000 1.844 314 H HN 0.446 nan 8.280 nan 0.000 0.529 315 K N 1.078 121.600 120.400 0.203 0.000 2.570 315 K HA 0.268 4.588 4.320 -0.000 0.000 0.256 315 K C -1.457 175.244 176.600 0.168 0.000 0.939 315 K CA -0.037 56.325 56.287 0.126 0.000 0.833 315 K CB 2.140 34.720 32.500 0.133 0.000 1.318 315 K HN 0.934 nan 8.250 nan 0.000 0.433 316 T N -0.164 114.497 114.554 0.179 0.000 2.943 316 T HA 0.905 5.255 4.350 -0.000 0.000 0.284 316 T C 0.203 175.008 174.700 0.175 0.000 1.015 316 T CA -0.536 61.722 62.100 0.263 0.000 1.042 316 T CB 1.707 70.645 68.868 0.115 0.000 1.055 316 T HN 0.673 nan 8.240 nan 0.000 0.500 317 G N -0.667 108.242 108.800 0.181 0.000 2.742 317 G HA2 0.751 4.711 3.960 -0.000 0.000 0.296 317 G HA3 0.751 4.711 3.960 -0.000 0.000 0.296 317 G C -1.535 173.468 174.900 0.173 0.000 1.436 317 G CA -0.507 44.703 45.100 0.182 0.000 0.928 317 G HN 1.169 nan 8.290 nan 0.000 0.520 318 A N 0.392 123.315 122.820 0.172 0.000 2.604 318 A HA 0.988 5.308 4.320 -0.000 0.000 0.295 318 A C -0.079 177.611 177.584 0.177 0.000 1.067 318 A CA 0.117 52.261 52.037 0.180 0.000 0.683 318 A CB 1.663 20.733 19.000 0.117 0.000 1.281 318 A HN 1.989 nan 8.150 nan 0.000 0.407 319 T N -2.211 112.482 114.554 0.232 0.000 2.742 319 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 319 T C 1.276 176.097 174.700 0.202 0.000 1.025 319 T CA 0.173 62.394 62.100 0.202 0.000 1.020 319 T CB 1.044 70.087 68.868 0.292 0.000 1.317 319 T HN 1.659 nan 8.240 nan 0.000 0.538 320 G N -0.511 108.389 108.800 0.167 0.000 2.462 320 G HA2 0.187 4.147 3.960 -0.000 0.000 0.220 320 G HA3 0.187 4.147 3.960 -0.000 0.000 0.220 320 G C 1.070 176.063 174.900 0.155 0.000 1.121 320 G CA 0.609 45.789 45.100 0.134 0.000 0.758 320 G HN 1.232 nan 8.290 nan 0.000 0.559 321 G N -1.408 107.531 108.800 0.231 0.000 3.441 321 G HA2 0.486 4.446 3.960 -0.000 0.000 0.263 321 G HA3 0.486 4.446 3.960 -0.000 0.000 0.263 321 G C -0.437 174.433 174.900 -0.050 0.000 1.014 321 G CA -0.459 44.690 45.100 0.081 0.000 0.833 321 G HN 0.167 nan 8.290 nan 0.000 0.514 322 F N -0.299 119.791 119.950 0.233 0.000 2.603 322 F HA 0.733 5.260 4.527 0.000 0.000 0.317 322 F C 0.341 176.292 175.800 0.252 0.000 1.066 322 F CA -1.151 57.026 58.000 0.294 0.000 0.941 322 F CB 2.459 41.657 39.000 0.329 0.000 1.291 322 F HN 0.020 nan 8.300 nan 0.000 0.472 323 G N 0.696 109.784 108.800 0.480 0.000 2.707 323 G HA2 0.586 4.546 3.960 -0.000 0.000 0.299 323 G HA3 0.586 4.546 3.960 -0.000 0.000 0.299 323 G C -1.615 173.468 174.900 0.304 0.000 1.442 323 G CA -0.567 44.706 45.100 0.289 0.000 1.009 323 G HN 0.567 nan 8.290 nan 0.000 0.515 324 S N 0.084 115.929 115.700 0.241 0.000 2.634 324 S HA 0.829 5.299 4.470 -0.000 0.000 0.296 324 S C -1.742 173.048 174.600 0.316 0.000 1.104 324 S CA -0.622 57.736 58.200 0.262 0.000 0.920 324 S CB 2.051 65.400 63.200 0.249 0.000 1.111 324 S HN 0.699 nan 8.310 nan 0.000 0.493 325 Y N 0.363 120.762 120.300 0.165 0.000 2.480 325 Y HA 0.575 5.125 4.550 0.000 0.000 0.329 325 Y C -1.943 174.097 175.900 0.234 0.000 1.127 325 Y CA -0.695 57.515 58.100 0.183 0.000 1.037 325 Y CB 0.907 39.471 38.460 0.173 0.000 1.320 325 Y HN 0.484 nan 8.280 nan 0.000 0.446 326 V N 4.142 123.834 119.914 -0.369 0.000 2.760 326 V HA 0.994 5.114 4.120 -0.000 0.000 0.309 326 V C -0.921 174.913 176.094 -0.434 0.000 1.077 326 V CA -0.255 61.946 62.300 -0.165 0.000 0.910 326 V CB 1.585 33.570 31.823 0.271 0.000 1.008 326 V HN 1.047 nan 8.190 nan 0.000 0.424 327 A N 4.361 126.986 122.820 -0.325 0.000 2.547 327 A HA 1.021 5.341 4.320 -0.000 0.000 0.297 327 A C -1.377 175.925 177.584 -0.469 0.000 1.056 327 A CA -0.517 51.185 52.037 -0.558 0.000 0.688 327 A CB 1.794 20.380 19.000 -0.690 0.000 1.282 327 A HN 1.560 nan 8.150 nan 0.000 0.400 328 F N -0.785 118.697 119.950 -0.780 0.000 2.693 328 F HA 0.819 5.346 4.527 -0.000 0.000 0.309 328 F C -1.408 174.003 175.800 -0.650 0.000 1.129 328 F CA -1.184 56.428 58.000 -0.647 0.000 0.948 328 F CB 1.297 39.992 39.000 -0.509 0.000 1.315 328 F HN 0.316 nan 8.300 nan 0.000 0.447 329 I N 2.458 122.820 120.570 -0.346 0.000 2.495 329 I HA 0.312 4.482 4.170 -0.000 0.000 0.277 329 I C -2.122 173.869 176.117 -0.209 0.000 1.045 329 I CA -1.877 59.188 61.300 -0.391 0.000 1.135 329 I CB 1.751 39.365 38.000 -0.644 0.000 1.241 329 I HN 0.382 nan 8.210 nan 0.000 0.469 330 P HA -0.247 nan 4.420 nan 0.000 0.216 330 P C 1.411 178.640 177.300 -0.119 0.000 1.154 330 P CA 1.343 64.393 63.100 -0.083 0.000 0.865 330 P CB 0.290 31.954 31.700 -0.060 0.000 0.789 331 E N -0.484 119.643 120.200 -0.121 0.000 2.265 331 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 331 E C 1.085 177.615 176.600 -0.116 0.000 0.996 331 E CA 0.939 57.283 56.400 -0.094 0.000 0.832 331 E CB -0.031 29.642 29.700 -0.044 0.000 0.756 331 E HN 0.086 nan 8.360 nan 0.000 0.491 332 K N 0.200 120.492 120.400 -0.180 0.000 2.358 332 K HA 0.064 4.384 4.320 -0.000 0.000 0.200 332 K C -0.207 176.279 176.600 -0.190 0.000 1.030 332 K CA 0.218 56.396 56.287 -0.182 0.000 1.097 332 K CB 0.602 32.957 32.500 -0.242 0.000 0.862 332 K HN 0.155 nan 8.250 nan 0.000 0.534 333 E N 0.806 120.898 120.200 -0.179 0.000 2.476 333 E HA -0.233 4.117 4.350 -0.000 0.000 0.251 333 E C -0.564 175.927 176.600 -0.182 0.000 1.130 333 E CA 0.256 56.550 56.400 -0.178 0.000 0.736 333 E CB -1.679 27.916 29.700 -0.175 0.000 1.298 333 E HN 0.058 nan 8.360 nan 0.000 0.400 334 L N -0.293 120.821 121.223 -0.181 0.000 2.362 334 L HA 0.829 5.169 4.340 -0.000 0.000 0.271 334 L C 0.163 176.947 176.870 -0.142 0.000 1.002 334 L CA 0.262 55.016 54.840 -0.144 0.000 0.818 334 L CB 2.116 44.079 42.059 -0.160 0.000 1.298 334 L HN 0.078 nan 8.230 nan 0.000 0.420 335 G N 3.946 112.693 108.800 -0.088 0.000 2.623 335 G HA2 0.596 4.556 3.960 -0.000 0.000 0.290 335 G HA3 0.596 4.556 3.960 -0.000 0.000 0.290 335 G C -2.240 172.645 174.900 -0.025 0.000 1.437 335 G CA -0.404 44.647 45.100 -0.082 0.000 0.798 335 G HN 0.828 nan 8.290 nan 0.000 0.488 336 I N -0.431 120.131 120.570 -0.014 0.000 2.913 336 I HA 0.709 4.879 4.170 -0.000 0.000 0.302 336 I C -1.444 174.727 176.117 0.090 0.000 1.246 336 I CA -1.031 60.307 61.300 0.062 0.000 1.010 336 I CB 2.346 40.404 38.000 0.097 0.000 1.259 336 I HN 0.426 nan 8.210 nan 0.000 0.434 337 V N 6.775 126.778 119.914 0.147 0.000 2.686 337 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 337 V C -0.677 175.539 176.094 0.204 0.000 1.065 337 V CA -0.436 61.968 62.300 0.173 0.000 0.894 337 V CB 1.949 33.882 31.823 0.184 0.000 1.004 337 V HN 0.643 nan 8.190 nan 0.000 0.424 338 M N 6.157 125.890 119.600 0.222 0.000 2.151 338 M HA 0.631 5.111 4.480 -0.000 0.000 0.290 338 M C -1.409 174.989 176.300 0.164 0.000 0.965 338 M CA -0.166 55.267 55.300 0.222 0.000 0.930 338 M CB 2.029 34.808 32.600 0.299 0.000 1.560 338 M HN 0.369 nan 8.290 nan 0.000 0.438 339 L N 2.721 123.944 121.223 0.000 0.000 2.362 339 L HA 1.017 5.357 4.340 -0.000 0.000 0.275 339 L C -0.481 176.286 176.870 -0.172 0.000 0.998 339 L CA -0.756 53.955 54.840 -0.216 0.000 0.820 339 L CB 1.947 43.509 42.059 -0.828 0.000 1.270 339 L HN 0.811 nan 8.230 nan 0.000 0.415 340 A N 1.789 124.760 122.820 0.251 0.000 2.475 340 A HA 0.599 4.919 4.320 -0.000 0.000 0.301 340 A C -0.607 177.370 177.584 0.655 0.000 1.059 340 A CA -0.761 51.557 52.037 0.468 0.000 0.710 340 A CB 1.336 20.573 19.000 0.395 0.000 1.288 340 A HN 0.754 nan 8.150 nan 0.000 0.408 341 N N 1.691 120.700 118.700 0.515 0.000 2.994 341 N HA 0.196 4.936 4.740 -0.000 0.000 0.306 341 N C -0.622 174.887 175.510 -0.002 0.000 1.348 341 N CA -0.103 52.946 53.050 -0.002 0.000 1.109 341 N CB 0.437 38.899 38.487 -0.041 0.000 1.415 341 N HN 0.453 nan 8.380 nan 0.000 0.529 342 K N 0.685 121.171 120.400 0.143 0.000 2.570 342 K HA 0.163 4.483 4.320 -0.000 0.000 0.256 342 K C -1.766 175.020 176.600 0.311 0.000 0.939 342 K CA -0.507 55.890 56.287 0.183 0.000 0.833 342 K CB 1.709 34.306 32.500 0.161 0.000 1.318 342 K HN 0.168 nan 8.250 nan 0.000 0.433 343 N N 3.767 122.614 118.700 0.246 0.000 2.411 343 N HA 0.171 4.911 4.740 -0.000 0.000 0.259 343 N C -1.179 174.488 175.510 0.262 0.000 1.103 343 N CA 0.190 53.381 53.050 0.234 0.000 0.954 343 N CB 0.060 38.643 38.487 0.160 0.000 1.085 343 N HN 0.415 nan 8.380 nan 0.000 0.485 344 Y N 1.292 121.641 120.300 0.081 0.000 2.605 344 Y HA 0.720 5.270 4.550 0.000 0.000 0.343 344 Y C -2.735 173.189 175.900 0.040 0.000 1.036 344 Y CA -3.169 54.962 58.100 0.052 0.000 1.065 344 Y CB -0.394 38.092 38.460 0.043 0.000 1.288 344 Y HN 0.339 nan 8.280 nan 0.000 0.481 345 P HA -0.020 nan 4.420 nan 0.000 0.259 345 P C 0.257 177.444 177.300 -0.188 0.000 1.163 345 P CA 0.585 63.656 63.100 -0.048 0.000 0.760 345 P CB 0.642 32.365 31.700 0.039 0.000 0.762 346 N N 5.064 123.653 118.700 -0.186 0.000 2.104 346 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 346 N C -0.860 174.539 175.510 -0.185 0.000 1.024 346 N CA 1.798 54.716 53.050 -0.220 0.000 0.853 346 N CB -1.664 36.728 38.487 -0.158 0.000 1.008 346 N HN 0.439 nan 8.380 nan 0.000 0.424 347 P HA -0.082 nan 4.420 nan 0.000 0.216 347 P C 1.124 178.400 177.300 -0.040 0.000 1.150 347 P CA 1.585 64.641 63.100 -0.073 0.000 0.837 347 P CB -0.053 31.620 31.700 -0.045 0.000 0.786 348 A N -0.130 122.693 122.820 0.005 0.000 1.902 348 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 348 A C 2.194 179.848 177.584 0.116 0.000 1.181 348 A CA 1.457 53.551 52.037 0.097 0.000 0.623 348 A CB -0.964 18.167 19.000 0.219 0.000 0.818 348 A HN 0.097 nan 8.150 nan 0.000 0.443 349 R N -0.567 119.943 120.500 0.017 0.000 2.070 349 R HA -0.090 4.250 4.340 -0.000 0.000 0.233 349 R C 1.969 178.192 176.300 -0.129 0.000 1.137 349 R CA 1.600 57.683 56.100 -0.029 0.000 0.945 349 R CB -0.817 29.317 30.300 -0.277 0.000 0.845 349 R HN 0.357 nan 8.270 nan 0.000 0.430 350 V N 1.735 121.462 119.914 -0.311 0.000 2.490 350 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 350 V C 1.945 178.108 176.094 0.115 0.000 1.061 350 V CA 1.940 64.126 62.300 -0.190 0.000 1.064 350 V CB -0.550 31.173 31.823 -0.167 0.000 0.670 350 V HN 0.299 nan 8.190 nan 0.000 0.461 351 D N 0.534 120.983 120.400 0.082 0.000 2.117 351 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 351 D C 2.186 178.628 176.300 0.236 0.000 0.982 351 D CA 1.593 55.686 54.000 0.155 0.000 0.828 351 D CB -0.071 40.783 40.800 0.089 0.000 0.967 351 D HN 0.349 nan 8.370 nan 0.000 0.464 352 A N 0.687 123.613 122.820 0.177 0.000 1.902 352 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 352 A C 2.393 180.108 177.584 0.217 0.000 1.181 352 A CA 2.396 54.529 52.037 0.160 0.000 0.623 352 A CB -0.990 18.081 19.000 0.119 0.000 0.818 352 A HN 0.301 nan 8.150 nan 0.000 0.443 353 A N -1.080 121.932 122.820 0.319 0.000 1.902 353 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 353 A C 2.113 179.995 177.584 0.496 0.000 1.181 353 A CA 1.443 53.743 52.037 0.440 0.000 0.623 353 A CB -0.899 18.532 19.000 0.718 0.000 0.818 353 A HN 0.910 nan 8.150 nan 0.000 0.443 354 W N 0.520 122.045 121.300 0.375 0.000 2.381 354 W HA -0.200 4.460 4.660 -0.000 0.000 0.301 354 W C 1.853 178.506 176.519 0.224 0.000 1.205 354 W CA 2.119 59.652 57.345 0.314 0.000 1.285 354 W CB -0.423 29.091 29.460 0.090 0.000 1.133 354 W HN 0.423 nan 8.180 nan 0.000 0.521 355 Q N 0.966 120.816 119.800 0.084 0.000 2.096 355 Q HA -0.185 4.154 4.340 -0.000 0.000 0.204 355 Q C 2.184 178.116 176.000 -0.113 0.000 0.982 355 Q CA 2.593 58.370 55.803 -0.044 0.000 0.850 355 Q CB -0.845 27.950 28.738 0.095 0.000 0.901 355 Q HN 0.472 nan 8.270 nan 0.000 0.422 356 I N -0.743 119.813 120.570 -0.024 0.000 2.193 356 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 356 I C 1.954 178.040 176.117 -0.052 0.000 1.084 356 I CA 0.868 62.151 61.300 -0.030 0.000 1.365 356 I CB -0.251 37.759 38.000 0.017 0.000 1.064 356 I HN 0.177 nan 8.210 nan 0.000 0.410 357 L N 0.429 121.642 121.223 -0.017 0.000 2.093 357 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 357 L C 2.268 179.068 176.870 -0.116 0.000 1.085 357 L CA 1.292 56.116 54.840 -0.027 0.000 0.755 357 L CB -0.775 41.313 42.059 0.050 0.000 0.904 357 L HN 0.339 nan 8.230 nan 0.000 0.435 358 N N 0.622 119.114 118.700 -0.347 0.000 2.244 358 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 358 N C 1.728 177.118 175.510 -0.200 0.000 1.016 358 N CA 1.312 54.089 53.050 -0.456 0.000 0.866 358 N CB 0.059 37.821 38.487 -1.209 0.000 0.980 358 N HN 0.260 nan 8.380 nan 0.000 0.430 359 A N -0.057 122.662 122.820 -0.168 0.000 2.014 359 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 359 A C 1.767 179.328 177.584 -0.039 0.000 1.163 359 A CA 0.620 52.606 52.037 -0.084 0.000 0.652 359 A CB -0.379 18.574 19.000 -0.079 0.000 0.808 359 A HN 0.351 nan 8.150 nan 0.000 0.449 360 L N -1.307 119.903 121.223 -0.022 0.000 2.629 360 L HA 0.210 4.550 4.340 -0.000 0.000 0.230 360 L C 0.261 177.199 176.870 0.114 0.000 1.151 360 L CA 0.023 54.894 54.840 0.052 0.000 0.924 360 L CB -0.447 41.664 42.059 0.087 0.000 1.137 360 L HN 0.503 nan 8.230 nan 0.000 0.457 361 Q N 0.000 119.839 119.800 0.065 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.861 55.803 0.096 0.000 1.022 361 Q CB 0.000 28.792 28.738 0.090 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481