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 3a1k_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATIRPDDKAI DAAARHYGIT LDKTARLEWP ALIDGALGSY DVVDQLYADE DATA SEQUENCE ATPPTTSREH AVPSASENPL SAWYVTTSIP PTSDGVLTGR RVAIKDNVTV DATA SEQUENCE AGVPMMNGSR TVEGFTPSRD ATVVTRLLAA GATVAGKAVC EDLCFSGSSF DATA SEQUENCE TPASGPVRNP WDRQREAGGS SGGSAALVAN GDVDFAIGGD QGGSIRIPAA DATA SEQUENCE FCGVVGHKPT FGLVPYTGAF PIERTIDHLG PITRTVHDAA LMLSVIAGRD DATA SEQUENCE GNDPRQADSV EAGDYLSTLD SDVDGLRIGI VREGFGHAVS QPEVDDAVRA DATA SEQUENCE AAHSLTEIGC TVEEVNIPWH LHAFHIWNVI ATDGGAYQML DGNGYGMNAE DATA SEQUENCE GLYDPELMAH FASRRIQHAD ALSETVKLVA LTGHHGITTL GGASYGKARN DATA SEQUENCE LVPLARAAYD TALRQFDVLV MPTLPYVASE LPAKDVDRAT FITKALGMIA DATA SEQUENCE NTAPFDVTGH PSLSVPAGLV NGLPVGMMIT GRHFDDATVL RVGRAFEKLR DATA SEQUENCE GAFPTPAE 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.602 177.584 0.031 0.000 1.274 2 A CA 0.000 52.057 52.037 0.034 0.000 0.836 2 A CB 0.000 19.015 19.000 0.026 0.000 0.831 3 T N 2.654 117.230 114.554 0.037 0.000 2.934 3 T HA 0.319 4.705 4.350 0.061 0.000 0.306 3 T C 0.788 175.484 174.700 -0.007 0.000 1.042 3 T CA 0.533 62.648 62.100 0.025 0.000 1.145 3 T CB -0.258 68.634 68.868 0.041 0.000 0.982 3 T HN 0.413 nan 8.240 nan 0.000 0.544 4 I N 2.932 123.495 120.570 -0.013 0.000 2.710 4 I HA 0.108 4.315 4.170 0.061 0.000 0.286 4 I C 0.897 176.983 176.117 -0.051 0.000 1.181 4 I CA -0.046 61.240 61.300 -0.023 0.000 1.430 4 I CB 0.399 38.388 38.000 -0.019 0.000 1.367 4 I HN 0.397 nan 8.210 nan 0.000 0.577 5 R N 6.896 127.369 120.500 -0.044 0.000 2.536 5 R HA 0.500 4.877 4.340 0.061 0.000 0.279 5 R C -2.214 174.058 176.300 -0.048 0.000 1.001 5 R CA -1.522 54.544 56.100 -0.056 0.000 1.027 5 R CB 0.330 30.608 30.300 -0.036 0.000 1.096 5 R HN 0.399 nan 8.270 nan 0.000 0.502 6 P HA 0.183 nan 4.420 nan 0.000 0.281 6 P C -1.148 176.138 177.300 -0.023 0.000 1.249 6 P CA -0.580 62.495 63.100 -0.043 0.000 0.810 6 P CB 0.899 32.567 31.700 -0.054 0.000 1.008 7 D N -0.064 120.325 120.400 -0.018 0.000 2.423 7 D HA 0.053 4.730 4.640 0.061 0.000 0.255 7 D C 0.640 176.941 176.300 0.000 0.000 1.174 7 D CA -0.396 53.600 54.000 -0.007 0.000 1.008 7 D CB 0.163 40.957 40.800 -0.009 0.000 1.101 7 D HN 0.192 nan 8.370 nan 0.000 0.516 8 D N -0.323 120.083 120.400 0.010 0.000 2.149 8 D HA -0.159 4.517 4.640 0.061 0.000 0.198 8 D C 1.527 177.836 176.300 0.014 0.000 0.990 8 D CA 1.220 55.233 54.000 0.021 0.000 0.839 8 D CB 0.115 40.930 40.800 0.025 0.000 0.948 8 D HN 0.465 nan 8.370 nan 0.000 0.460 9 K N 0.529 120.931 120.400 0.003 0.000 2.155 9 K HA 0.007 4.364 4.320 0.061 0.000 0.203 9 K C 2.159 178.753 176.600 -0.011 0.000 1.052 9 K CA 0.747 57.032 56.287 -0.002 0.000 0.948 9 K CB 0.061 32.556 32.500 -0.008 0.000 0.728 9 K HN 0.000 nan 8.250 nan 0.000 0.448 10 A N 1.588 124.398 122.820 -0.018 0.000 1.898 10 A HA -0.119 4.237 4.320 0.061 0.000 0.216 10 A C 2.084 179.651 177.584 -0.029 0.000 1.181 10 A CA 1.116 53.135 52.037 -0.031 0.000 0.620 10 A CB -0.498 18.480 19.000 -0.037 0.000 0.819 10 A HN 0.138 nan 8.150 nan 0.000 0.442 11 I N -0.250 120.309 120.570 -0.018 0.000 2.179 11 I HA -0.267 3.939 4.170 0.061 0.000 0.242 11 I C 2.322 178.429 176.117 -0.016 0.000 1.088 11 I CA 2.029 63.314 61.300 -0.024 0.000 1.357 11 I CB -0.434 37.571 38.000 0.008 0.000 1.051 11 I HN 0.445 nan 8.210 nan 0.000 0.409 12 D N 0.890 121.294 120.400 0.007 0.000 2.117 12 D HA -0.180 4.497 4.640 0.061 0.000 0.197 12 D C 2.167 178.472 176.300 0.009 0.000 0.987 12 D CA 1.498 55.509 54.000 0.017 0.000 0.829 12 D CB 0.081 40.895 40.800 0.022 0.000 0.961 12 D HN 0.299 nan 8.370 nan 0.000 0.460 13 A N 0.534 123.351 122.820 -0.005 0.000 1.902 13 A HA -0.002 4.355 4.320 0.061 0.000 0.217 13 A C 2.410 179.989 177.584 -0.007 0.000 1.181 13 A CA 2.223 54.252 52.037 -0.013 0.000 0.623 13 A CB -1.204 17.776 19.000 -0.034 0.000 0.818 13 A HN 0.350 nan 8.150 nan 0.000 0.443 14 A N -0.099 122.716 122.820 -0.009 0.000 1.908 14 A HA 0.103 4.459 4.320 0.061 0.000 0.218 14 A C 2.525 180.178 177.584 0.115 0.000 1.181 14 A CA 2.308 54.362 52.037 0.028 0.000 0.627 14 A CB -1.088 17.930 19.000 0.029 0.000 0.818 14 A HN 1.122 nan 8.150 nan 0.000 0.445 15 A N -0.175 122.684 122.820 0.066 0.000 1.902 15 A HA -0.187 4.169 4.320 0.061 0.000 0.217 15 A C 2.241 179.875 177.584 0.083 0.000 1.181 15 A CA 1.577 53.662 52.037 0.080 0.000 0.623 15 A CB -0.489 18.525 19.000 0.023 0.000 0.818 15 A HN 0.580 nan 8.150 nan 0.000 0.443 16 R N -1.643 118.884 120.500 0.046 0.000 2.081 16 R HA -0.170 4.206 4.340 0.061 0.000 0.235 16 R C 2.239 178.540 176.300 0.002 0.000 1.131 16 R CA 1.573 57.688 56.100 0.026 0.000 0.960 16 R CB -0.643 29.668 30.300 0.017 0.000 0.856 16 R HN 0.803 nan 8.270 nan 0.000 0.436 17 H N 0.075 119.061 119.070 -0.139 0.000 2.353 17 H HA -0.176 4.382 4.556 0.003 0.000 0.298 17 H C 0.974 176.099 175.328 -0.338 0.000 1.103 17 H CA 1.793 57.669 56.048 -0.286 0.000 1.293 17 H CB -0.171 29.310 29.762 -0.468 0.000 1.372 17 H HN 0.283 nan 8.280 nan 0.000 0.501 18 Y N -0.995 119.236 120.300 -0.115 0.000 2.466 18 Y HA 0.205 4.805 4.550 0.084 0.000 0.272 18 Y C 1.871 177.708 175.900 -0.105 0.000 1.169 18 Y CA 0.096 58.098 58.100 -0.163 0.000 1.285 18 Y CB 0.533 38.943 38.460 -0.083 0.000 1.078 18 Y HN 0.452 nan 8.280 nan 0.000 0.523 19 G N 1.231 110.046 108.800 0.025 0.000 2.153 19 G HA2 -0.311 3.685 3.960 0.061 0.000 0.252 19 G HA3 -0.311 3.685 3.960 0.061 0.000 0.252 19 G C -0.002 174.925 174.900 0.046 0.000 0.994 19 G CA 0.043 45.155 45.100 0.021 0.000 0.698 19 G HN 0.355 nan 8.290 nan 0.000 0.521 20 I N 2.077 122.691 120.570 0.072 0.000 2.342 20 I HA 0.374 4.581 4.170 0.061 0.000 0.291 20 I C 0.997 177.152 176.117 0.063 0.000 1.010 20 I CA -0.001 61.338 61.300 0.066 0.000 1.308 20 I CB 1.360 39.396 38.000 0.060 0.000 1.400 20 I HN 0.240 nan 8.210 nan 0.000 0.488 21 T N 5.456 120.049 114.554 0.065 0.000 2.767 21 T HA 0.575 4.961 4.350 0.061 0.000 0.288 21 T C -0.382 174.374 174.700 0.094 0.000 0.963 21 T CA -0.785 61.354 62.100 0.065 0.000 1.019 21 T CB 0.838 69.736 68.868 0.050 0.000 0.923 21 T HN 0.314 nan 8.240 nan 0.000 0.468 22 L N 3.563 124.848 121.223 0.102 0.000 2.276 22 L HA 0.399 4.775 4.340 0.061 0.000 0.286 22 L C 0.830 177.761 176.870 0.101 0.000 1.061 22 L CA -0.923 54.003 54.840 0.144 0.000 0.807 22 L CB 0.992 43.156 42.059 0.175 0.000 1.177 22 L HN 0.761 nan 8.230 nan 0.000 0.429 23 D N 3.344 123.799 120.400 0.092 0.000 2.344 23 D HA 0.012 4.689 4.640 0.061 0.000 0.244 23 D C 0.808 177.133 176.300 0.042 0.000 1.134 23 D CA -0.412 53.618 54.000 0.050 0.000 0.930 23 D CB 1.346 42.164 40.800 0.029 0.000 1.175 23 D HN 0.420 nan 8.370 nan 0.000 0.437 24 K N 1.228 121.643 120.400 0.025 0.000 2.152 24 K HA -0.144 4.212 4.320 0.061 0.000 0.206 24 K C 1.684 178.286 176.600 0.004 0.000 1.048 24 K CA 0.966 57.264 56.287 0.018 0.000 0.933 24 K CB -1.061 31.445 32.500 0.010 0.000 0.721 24 K HN 0.389 nan 8.250 nan 0.000 0.447 25 T N 0.512 115.059 114.554 -0.012 0.000 2.896 25 T HA 0.094 4.480 4.350 0.061 0.000 0.263 25 T C 1.948 176.601 174.700 -0.078 0.000 1.050 25 T CA 1.108 63.182 62.100 -0.043 0.000 1.140 25 T CB -0.138 68.697 68.868 -0.054 0.000 0.877 25 T HN 0.332 nan 8.240 nan 0.000 0.457 26 A N 1.560 124.343 122.820 -0.061 0.000 1.898 26 A HA 0.027 4.383 4.320 0.061 0.000 0.216 26 A C 2.370 179.963 177.584 0.015 0.000 1.181 26 A CA 1.211 53.176 52.037 -0.120 0.000 0.620 26 A CB -0.531 18.499 19.000 0.050 0.000 0.819 26 A HN 0.559 nan 8.150 nan 0.000 0.442 27 R N -1.265 119.296 120.500 0.102 0.000 2.200 27 R HA -0.080 4.296 4.340 0.061 0.000 0.234 27 R C 1.541 177.891 176.300 0.084 0.000 1.127 27 R CA 1.050 57.230 56.100 0.134 0.000 0.989 27 R CB -0.292 30.061 30.300 0.088 0.000 0.869 27 R HN 0.401 nan 8.270 nan 0.000 0.459 28 L N 0.240 121.475 121.223 0.020 0.000 2.298 28 L HA 0.021 4.398 4.340 0.061 0.000 0.209 28 L C 1.701 178.553 176.870 -0.030 0.000 1.084 28 L CA 1.530 56.368 54.840 -0.002 0.000 0.816 28 L CB 0.085 42.132 42.059 -0.021 0.000 0.967 28 L HN 0.054 nan 8.230 nan 0.000 0.460 29 E N -1.991 118.143 120.200 -0.110 0.000 2.102 29 E HA -0.173 4.213 4.350 0.061 0.000 0.190 29 E C 2.050 178.580 176.600 -0.117 0.000 0.971 29 E CA 0.831 57.125 56.400 -0.178 0.000 0.821 29 E CB -0.241 29.257 29.700 -0.337 0.000 0.777 29 E HN 0.445 nan 8.360 nan 0.000 0.460 30 W N 1.336 122.633 121.300 -0.005 0.000 2.305 30 W HA -0.158 4.548 4.660 0.077 0.000 0.308 30 W C -0.707 175.805 176.519 -0.012 0.000 1.226 30 W CA 0.660 58.001 57.345 -0.007 0.000 1.253 30 W CB -1.340 28.118 29.460 -0.003 0.000 1.146 30 W HN 0.198 nan 8.180 nan 0.000 0.507 31 P HA -0.289 nan 4.420 nan 0.000 0.215 31 P C 1.465 178.819 177.300 0.089 0.000 1.163 31 P CA 3.143 66.317 63.100 0.124 0.000 0.894 31 P CB -0.426 31.321 31.700 0.079 0.000 0.791 32 A N -1.276 121.584 122.820 0.066 0.000 1.969 32 A HA -0.126 4.230 4.320 0.061 0.000 0.218 32 A C 2.210 179.830 177.584 0.059 0.000 1.169 32 A CA 1.273 53.335 52.037 0.042 0.000 0.635 32 A CB -1.552 17.457 19.000 0.015 0.000 0.810 32 A HN 0.110 nan 8.150 nan 0.000 0.445 33 L N -0.686 120.598 121.223 0.100 0.000 2.056 33 L HA -0.116 4.261 4.340 0.061 0.000 0.207 33 L C 2.370 179.328 176.870 0.146 0.000 1.078 33 L CA 1.068 55.991 54.840 0.138 0.000 0.749 33 L CB -0.430 41.763 42.059 0.223 0.000 0.901 33 L HN 0.361 nan 8.230 nan 0.000 0.433 34 I N -0.166 120.496 120.570 0.152 0.000 2.353 34 I HA -0.264 3.942 4.170 0.061 0.000 0.248 34 I C 2.141 178.262 176.117 0.007 0.000 1.119 34 I CA 1.315 62.651 61.300 0.061 0.000 1.417 34 I CB -0.293 37.725 38.000 0.030 0.000 1.078 34 I HN 0.280 nan 8.210 nan 0.000 0.421 35 D N 1.063 121.476 120.400 0.022 0.000 2.117 35 D HA -0.147 4.529 4.640 0.061 0.000 0.197 35 D C 2.241 178.547 176.300 0.011 0.000 0.987 35 D CA 1.572 55.573 54.000 0.002 0.000 0.829 35 D CB -0.137 40.671 40.800 0.012 0.000 0.961 35 D HN 0.246 nan 8.370 nan 0.000 0.460 36 G N -0.017 108.801 108.800 0.030 0.000 2.418 36 G HA2 -0.172 3.824 3.960 0.061 0.000 0.217 36 G HA3 -0.172 3.824 3.960 0.061 0.000 0.217 36 G C 1.713 176.640 174.900 0.046 0.000 1.158 36 G CA 0.942 46.063 45.100 0.036 0.000 0.771 36 G HN 0.415 nan 8.290 nan 0.000 0.545 37 A N 0.574 123.422 122.820 0.047 0.000 1.933 37 A HA 0.134 4.490 4.320 0.061 0.000 0.218 37 A C 2.270 179.901 177.584 0.079 0.000 1.175 37 A CA 0.960 53.035 52.037 0.065 0.000 0.628 37 A CB -0.337 18.694 19.000 0.052 0.000 0.814 37 A HN 0.353 nan 8.150 nan 0.000 0.444 38 L N -0.359 120.852 121.223 -0.020 0.000 2.622 38 L HA -0.022 4.354 4.340 0.061 0.000 0.233 38 L C 2.480 179.406 176.870 0.093 0.000 1.156 38 L CA 0.331 55.130 54.840 -0.068 0.000 0.866 38 L CB -0.524 41.412 42.059 -0.206 0.000 0.980 38 L HN 0.494 nan 8.230 nan 0.000 0.448 39 G N -0.654 108.198 108.800 0.086 0.000 2.432 39 G HA2 -0.231 3.765 3.960 0.061 0.000 0.219 39 G HA3 -0.231 3.765 3.960 0.061 0.000 0.219 39 G C 1.732 176.699 174.900 0.112 0.000 1.135 39 G CA 0.855 46.004 45.100 0.082 0.000 0.767 39 G HN 0.336 nan 8.290 nan 0.000 0.550 40 S N -0.251 115.543 115.700 0.156 0.000 2.406 40 S HA -0.025 4.482 4.470 0.061 0.000 0.228 40 S C 2.031 176.702 174.600 0.117 0.000 1.020 40 S CA 0.669 58.939 58.200 0.117 0.000 0.965 40 S CB -0.309 62.946 63.200 0.092 0.000 0.798 40 S HN 0.474 nan 8.310 nan 0.000 0.488 41 Y N 2.287 122.582 120.300 -0.008 0.000 2.242 41 Y HA -0.071 4.511 4.550 0.053 0.000 0.291 41 Y C 2.254 178.150 175.900 -0.007 0.000 1.137 41 Y CA 0.540 58.630 58.100 -0.016 0.000 1.181 41 Y CB -0.548 37.900 38.460 -0.021 0.000 0.989 41 Y HN 0.205 nan 8.280 nan 0.000 0.527 42 D N -0.490 120.013 120.400 0.172 0.000 2.097 42 D HA -0.155 4.522 4.640 0.061 0.000 0.195 42 D C 2.386 178.730 176.300 0.073 0.000 0.989 42 D CA 1.435 55.495 54.000 0.099 0.000 0.827 42 D CB -0.484 40.359 40.800 0.073 0.000 0.966 42 D HN 0.169 nan 8.370 nan 0.000 0.456 43 V N 0.973 120.924 119.914 0.063 0.000 2.295 43 V HA -0.203 3.953 4.120 0.061 0.000 0.246 43 V C 2.727 178.843 176.094 0.036 0.000 1.049 43 V CA 1.032 63.357 62.300 0.042 0.000 1.024 43 V CB -0.494 31.347 31.823 0.030 0.000 0.648 43 V HN 0.045 nan 8.190 nan 0.000 0.447 44 V N 0.124 120.047 119.914 0.016 0.000 2.332 44 V HA -0.278 3.879 4.120 0.061 0.000 0.248 44 V C 2.307 178.433 176.094 0.053 0.000 1.055 44 V CA 2.205 64.506 62.300 0.001 0.000 1.038 44 V CB -0.718 31.051 31.823 -0.089 0.000 0.651 44 V HN 0.546 nan 8.190 nan 0.000 0.450 45 D N -0.611 119.822 120.400 0.055 0.000 2.104 45 D HA -0.202 4.474 4.640 0.061 0.000 0.194 45 D C 2.215 178.587 176.300 0.120 0.000 0.994 45 D CA 1.540 55.591 54.000 0.084 0.000 0.830 45 D CB -0.160 40.684 40.800 0.073 0.000 0.959 45 D HN 0.433 nan 8.370 nan 0.000 0.452 46 Q N 0.207 120.057 119.800 0.085 0.000 2.046 46 Q HA -0.010 4.366 4.340 0.061 0.000 0.200 46 Q C 2.274 178.315 176.000 0.069 0.000 0.975 46 Q CA 0.969 56.815 55.803 0.070 0.000 0.836 46 Q CB -0.383 28.385 28.738 0.049 0.000 0.896 46 Q HN 0.283 nan 8.270 nan 0.000 0.428 47 L N -0.698 120.566 121.223 0.068 0.000 2.042 47 L HA -0.216 4.160 4.340 0.061 0.000 0.210 47 L C 2.246 179.157 176.870 0.069 0.000 1.076 47 L CA 1.696 56.569 54.840 0.054 0.000 0.749 47 L CB -0.626 41.461 42.059 0.048 0.000 0.893 47 L HN 0.353 nan 8.230 nan 0.000 0.432 48 Y N 0.474 120.769 120.300 -0.009 0.000 2.145 48 Y HA -0.290 4.299 4.550 0.065 0.000 0.286 48 Y C 2.525 178.426 175.900 0.002 0.000 1.145 48 Y CA 1.500 59.596 58.100 -0.008 0.000 1.148 48 Y CB -0.176 38.277 38.460 -0.012 0.000 0.981 48 Y HN 0.118 nan 8.280 nan 0.000 0.507 49 A N -0.055 122.827 122.820 0.104 0.000 1.940 49 A HA -0.199 4.158 4.320 0.061 0.000 0.219 49 A C 1.816 179.369 177.584 -0.052 0.000 1.176 49 A CA 2.143 54.197 52.037 0.027 0.000 0.631 49 A CB -0.650 18.397 19.000 0.077 0.000 0.814 49 A HN 0.577 nan 8.150 nan 0.000 0.446 50 D N -1.025 119.354 120.400 -0.036 0.000 2.240 50 D HA -0.019 4.657 4.640 0.061 0.000 0.206 50 D C 1.595 177.852 176.300 -0.071 0.000 0.963 50 D CA 0.884 54.858 54.000 -0.042 0.000 0.863 50 D CB -0.059 40.733 40.800 -0.015 0.000 0.973 50 D HN 0.519 nan 8.370 nan 0.000 0.501 51 E N -0.256 119.887 120.200 -0.095 0.000 2.434 51 E HA 0.240 4.626 4.350 0.061 0.000 0.207 51 E C 0.553 177.060 176.600 -0.155 0.000 0.929 51 E CA 0.101 56.443 56.400 -0.096 0.000 1.001 51 E CB 1.326 30.995 29.700 -0.051 0.000 1.016 51 E HN 0.050 nan 8.360 nan 0.000 0.502 52 A N 1.247 123.882 122.820 -0.309 0.000 2.663 52 A HA 0.255 4.612 4.320 0.061 0.000 0.273 52 A C -0.030 177.143 177.584 -0.684 0.000 0.932 52 A CA -0.306 51.491 52.037 -0.400 0.000 1.055 52 A CB 0.183 19.014 19.000 -0.281 0.000 1.206 52 A HN -0.110 nan 8.150 nan 0.000 0.485 53 T N 4.135 118.385 114.554 -0.508 0.000 2.738 53 T HA 0.453 4.839 4.350 0.061 0.000 0.298 53 T C -2.283 172.319 174.700 -0.165 0.000 0.962 53 T CA -0.796 61.075 62.100 -0.382 0.000 0.972 53 T CB 0.931 69.658 68.868 -0.236 0.000 0.928 53 T HN 0.401 nan 8.240 nan 0.000 0.474 54 P HA 0.154 nan 4.420 nan 0.000 0.266 54 P C -2.333 174.950 177.300 -0.028 0.000 1.195 54 P CA -1.025 62.053 63.100 -0.037 0.000 0.768 54 P CB -0.160 31.544 31.700 0.005 0.000 0.838 55 P HA 0.030 nan 4.420 nan 0.000 0.272 55 P C 0.190 177.484 177.300 -0.011 0.000 1.230 55 P CA -0.032 63.057 63.100 -0.018 0.000 0.788 55 P CB 0.355 32.045 31.700 -0.016 0.000 0.949 56 T N 0.486 115.035 114.554 -0.010 0.000 2.856 56 T HA 0.264 4.650 4.350 0.061 0.000 0.306 56 T C -0.313 174.381 174.700 -0.010 0.000 1.062 56 T CA 0.404 62.498 62.100 -0.009 0.000 1.083 56 T CB -0.255 68.609 68.868 -0.007 0.000 0.984 56 T HN 0.461 nan 8.240 nan 0.000 0.542 57 T N 2.453 116.998 114.554 -0.014 0.000 2.952 57 T HA 0.497 4.884 4.350 0.061 0.000 0.305 57 T C -0.959 173.734 174.700 -0.012 0.000 1.064 57 T CA -0.802 61.291 62.100 -0.012 0.000 1.008 57 T CB 1.368 70.227 68.868 -0.015 0.000 1.078 57 T HN 0.655 nan 8.240 nan 0.000 0.459 58 S N 3.679 119.375 115.700 -0.006 0.000 2.667 58 S HA 0.696 5.202 4.470 0.061 0.000 0.304 58 S C -0.432 174.169 174.600 0.002 0.000 1.135 58 S CA -0.979 57.220 58.200 -0.002 0.000 1.125 58 S CB 0.671 63.869 63.200 -0.003 0.000 0.996 58 S HN 0.594 nan 8.310 nan 0.000 0.474 59 R N 1.529 122.035 120.500 0.010 0.000 2.803 59 R HA 0.511 4.887 4.340 0.061 0.000 0.276 59 R C -0.600 175.722 176.300 0.036 0.000 0.978 59 R CA -0.785 55.324 56.100 0.015 0.000 0.939 59 R CB 1.763 32.070 30.300 0.013 0.000 1.179 59 R HN 0.664 nan 8.270 nan 0.000 0.472 60 E N 2.600 122.810 120.200 0.017 0.000 2.277 60 E HA 0.202 4.589 4.350 0.061 0.000 0.274 60 E C -0.660 175.959 176.600 0.032 0.000 1.022 60 E CA -0.562 55.835 56.400 -0.004 0.000 0.853 60 E CB 1.283 30.954 29.700 -0.050 0.000 1.086 60 E HN 0.536 nan 8.360 nan 0.000 0.397 61 H N -1.153 117.866 119.070 -0.086 0.000 3.016 61 H HA 0.776 5.369 4.556 0.062 0.000 0.362 61 H C -1.891 173.361 175.328 -0.127 0.000 1.233 61 H CA -1.145 54.835 56.048 -0.114 0.000 1.124 61 H CB 1.536 31.229 29.762 -0.116 0.000 1.850 61 H HN 0.533 nan 8.280 nan 0.000 0.549 62 A N 1.495 124.205 122.820 -0.183 0.000 2.549 62 A HA 0.506 4.863 4.320 0.061 0.000 0.297 62 A C -1.233 176.273 177.584 -0.130 0.000 1.061 62 A CA -0.616 51.285 52.037 -0.227 0.000 0.690 62 A CB 1.870 20.750 19.000 -0.201 0.000 1.287 62 A HN 0.395 nan 8.150 nan 0.000 0.402 63 V N 3.156 123.002 119.914 -0.114 0.000 2.385 63 V HA 0.331 4.488 4.120 0.061 0.000 0.269 63 V C -2.062 173.987 176.094 -0.075 0.000 1.043 63 V CA -1.107 61.140 62.300 -0.088 0.000 0.906 63 V CB 0.627 32.416 31.823 -0.057 0.000 0.995 63 V HN 0.798 nan 8.190 nan 0.000 0.467 64 P HA 0.159 nan 4.420 nan 0.000 0.269 64 P C 0.057 177.355 177.300 -0.003 0.000 1.209 64 P CA 0.010 63.079 63.100 -0.052 0.000 0.776 64 P CB 0.434 32.113 31.700 -0.035 0.000 0.876 65 S N 1.275 116.971 115.700 -0.006 0.000 2.624 65 S HA 0.409 4.916 4.470 0.061 0.000 0.263 65 S C 1.482 176.102 174.600 0.033 0.000 1.287 65 S CA -0.089 58.117 58.200 0.010 0.000 0.990 65 S CB 0.674 63.873 63.200 -0.000 0.000 0.950 65 S HN 0.475 nan 8.310 nan 0.000 0.561 66 A N 1.788 124.630 122.820 0.036 0.000 1.958 66 A HA -0.095 4.262 4.320 0.061 0.000 0.221 66 A C 2.343 179.956 177.584 0.047 0.000 1.178 66 A CA 2.284 54.348 52.037 0.046 0.000 0.642 66 A CB -1.739 17.284 19.000 0.038 0.000 0.816 66 A HN 0.874 nan 8.150 nan 0.000 0.453 67 S N 0.404 116.125 115.700 0.034 0.000 2.343 67 S HA -0.186 4.320 4.470 0.061 0.000 0.219 67 S C 1.710 176.337 174.600 0.046 0.000 1.033 67 S CA 1.496 59.715 58.200 0.032 0.000 1.014 67 S CB -0.505 62.706 63.200 0.018 0.000 0.915 67 S HN 0.892 nan 8.310 nan 0.000 0.435 68 E N 0.965 121.191 120.200 0.043 0.000 2.516 68 E HA 0.003 4.389 4.350 0.061 0.000 0.199 68 E C 0.201 176.883 176.600 0.136 0.000 1.069 68 E CA 0.422 56.857 56.400 0.058 0.000 0.876 68 E CB -0.281 29.421 29.700 0.004 0.000 0.843 68 E HN 0.283 nan 8.360 nan 0.000 0.530 69 N N 1.001 119.786 118.700 0.141 0.000 2.672 69 N HA 0.114 4.891 4.740 0.061 0.000 0.295 69 N C -1.896 173.695 175.510 0.135 0.000 1.924 69 N CA -1.936 51.241 53.050 0.213 0.000 0.851 69 N CB 0.983 39.601 38.487 0.218 0.000 1.281 69 N HN -0.106 nan 8.380 nan 0.000 0.494 70 P HA -0.130 nan 4.420 nan 0.000 0.216 70 P C 0.845 178.177 177.300 0.052 0.000 1.150 70 P CA 1.046 64.184 63.100 0.064 0.000 0.837 70 P CB 0.519 32.248 31.700 0.047 0.000 0.786 71 L N -1.282 119.970 121.223 0.048 0.000 2.592 71 L HA 0.174 4.550 4.340 0.061 0.000 0.227 71 L C 0.752 177.646 176.870 0.040 0.000 1.127 71 L CA 0.049 54.906 54.840 0.028 0.000 0.884 71 L CB -0.579 41.478 42.059 -0.003 0.000 1.065 71 L HN -0.131 nan 8.230 nan 0.000 0.457 72 S N 0.014 115.758 115.700 0.072 0.000 3.521 72 S HA -0.273 4.233 4.470 0.061 0.000 0.328 72 S C 1.398 176.045 174.600 0.079 0.000 1.165 72 S CA 0.662 58.919 58.200 0.095 0.000 0.941 72 S CB -1.079 62.170 63.200 0.082 0.000 0.951 72 S HN 0.641 nan 8.310 nan 0.000 0.539 73 A N -0.939 121.896 122.820 0.024 0.000 2.021 73 A HA 0.263 4.619 4.320 0.061 0.000 0.216 73 A C 0.484 178.034 177.584 -0.056 0.000 1.163 73 A CA 0.291 52.281 52.037 -0.079 0.000 0.676 73 A CB -0.018 18.843 19.000 -0.232 0.000 0.818 73 A HN 0.636 nan 8.150 nan 0.000 0.453 74 W N -1.889 119.460 121.300 0.082 0.000 2.376 74 W HA 0.449 5.145 4.660 0.060 0.000 0.322 74 W C 0.950 177.562 176.519 0.155 0.000 1.160 74 W CA -0.643 56.760 57.345 0.096 0.000 1.218 74 W CB 0.512 30.007 29.460 0.059 0.000 1.205 74 W HN 0.319 nan 8.180 nan 0.000 0.559 75 Y N 2.867 123.368 120.300 0.336 0.000 2.239 75 Y HA 0.269 4.857 4.550 0.062 0.000 0.293 75 Y C 0.440 176.445 175.900 0.174 0.000 1.126 75 Y CA 0.960 59.176 58.100 0.194 0.000 1.128 75 Y CB -0.259 38.283 38.460 0.137 0.000 1.066 75 Y HN 0.063 nan 8.280 nan 0.000 0.516 76 V N -0.470 119.430 119.914 -0.024 0.000 2.971 76 V HA 0.666 4.822 4.120 0.061 0.000 0.309 76 V C -0.580 175.441 176.094 -0.120 0.000 1.130 76 V CA -0.249 61.944 62.300 -0.178 0.000 0.964 76 V CB 1.143 32.778 31.823 -0.313 0.000 1.029 76 V HN 0.378 nan 8.190 nan 0.000 0.427 77 T N 0.424 114.819 114.554 -0.265 0.000 2.925 77 T HA 0.921 5.307 4.350 0.061 0.000 0.285 77 T C 0.055 174.614 174.700 -0.235 0.000 1.021 77 T CA 0.119 61.942 62.100 -0.461 0.000 1.042 77 T CB 1.661 70.120 68.868 -0.681 0.000 1.037 77 T HN 1.805 nan 8.240 nan 0.000 0.481 78 T N -2.248 112.180 114.554 -0.210 0.000 2.681 78 T HA 0.703 5.089 4.350 0.061 0.000 0.296 78 T C -0.566 174.078 174.700 -0.094 0.000 1.157 78 T CA -0.841 61.200 62.100 -0.098 0.000 1.025 78 T CB 1.537 70.390 68.868 -0.024 0.000 1.441 78 T HN 0.785 nan 8.240 nan 0.000 0.504 79 S N 0.290 115.961 115.700 -0.049 0.000 2.564 79 S HA 0.403 4.909 4.470 0.061 0.000 0.141 79 S C -0.946 173.648 174.600 -0.011 0.000 1.474 79 S CA -0.733 57.447 58.200 -0.033 0.000 1.236 79 S CB -0.728 62.446 63.200 -0.045 0.000 1.481 79 S HN 0.623 nan 8.310 nan 0.000 0.397 80 I N 5.120 125.693 120.570 0.006 0.000 2.337 80 I HA 0.325 4.532 4.170 0.061 0.000 0.291 80 I C -1.877 174.253 176.117 0.021 0.000 1.046 80 I CA -2.070 59.238 61.300 0.014 0.000 1.324 80 I CB 1.076 39.090 38.000 0.022 0.000 1.409 80 I HN 0.340 nan 8.210 nan 0.000 0.494 81 P HA 0.185 nan 4.420 nan 0.000 0.275 81 P C -2.539 174.775 177.300 0.024 0.000 1.228 81 P CA -1.400 61.711 63.100 0.019 0.000 0.786 81 P CB 0.064 31.771 31.700 0.011 0.000 0.927 82 P HA 0.018 nan 4.420 nan 0.000 0.269 82 P C 0.848 178.162 177.300 0.024 0.000 1.215 82 P CA 0.177 63.296 63.100 0.032 0.000 0.780 82 P CB 0.256 31.979 31.700 0.039 0.000 0.898 83 T N -2.423 112.144 114.554 0.022 0.000 3.065 83 T HA 0.192 4.578 4.350 0.061 0.000 0.252 83 T C 0.591 175.300 174.700 0.016 0.000 1.099 83 T CA 0.082 62.193 62.100 0.017 0.000 1.063 83 T CB -0.063 68.814 68.868 0.015 0.000 0.948 83 T HN 0.389 nan 8.240 nan 0.000 0.506 84 S N 0.586 116.298 115.700 0.020 0.000 2.547 84 S HA 0.428 4.934 4.470 0.061 0.000 0.270 84 S C -1.829 172.785 174.600 0.024 0.000 1.150 84 S CA -0.930 57.281 58.200 0.019 0.000 0.850 84 S CB 1.874 65.084 63.200 0.017 0.000 1.118 84 S HN 0.271 nan 8.310 nan 0.000 0.461 85 D N 0.869 121.282 120.400 0.023 0.000 2.339 85 D HA 0.676 5.352 4.640 0.061 0.000 0.245 85 D C 0.538 176.855 176.300 0.029 0.000 1.115 85 D CA 0.365 54.382 54.000 0.028 0.000 0.917 85 D CB 1.458 42.272 40.800 0.024 0.000 1.192 85 D HN 0.722 nan 8.370 nan 0.000 0.428 86 G N -1.244 107.579 108.800 0.037 0.000 2.494 86 G HA2 0.229 4.225 3.960 0.061 0.000 0.308 86 G HA3 0.229 4.225 3.960 0.061 0.000 0.308 86 G C 0.600 175.529 174.900 0.048 0.000 1.263 86 G CA -0.120 45.002 45.100 0.037 0.000 0.840 86 G HN 0.349 nan 8.290 nan 0.000 0.479 87 V N -0.994 118.947 119.914 0.045 0.000 3.026 87 V HA 0.153 4.309 4.120 0.061 0.000 0.265 87 V C 1.658 177.804 176.094 0.086 0.000 1.121 87 V CA 1.753 64.087 62.300 0.056 0.000 1.142 87 V CB -0.787 31.058 31.823 0.037 0.000 0.730 87 V HN 0.431 nan 8.190 nan 0.000 0.503 88 L N -0.170 121.110 121.223 0.095 0.000 2.808 88 L HA 0.274 4.650 4.340 0.061 0.000 0.246 88 L C 0.918 177.878 176.870 0.149 0.000 1.153 88 L CA -0.193 54.748 54.840 0.169 0.000 0.956 88 L CB -0.015 42.144 42.059 0.167 0.000 1.270 88 L HN 0.161 nan 8.230 nan 0.000 0.528 89 T N 0.938 115.550 114.554 0.097 0.000 2.905 89 T HA 0.206 4.593 4.350 0.061 0.000 0.299 89 T C 1.229 175.970 174.700 0.069 0.000 1.024 89 T CA 1.384 63.528 62.100 0.074 0.000 1.151 89 T CB 0.755 69.654 68.868 0.053 0.000 0.987 89 T HN 0.637 nan 8.240 nan 0.000 0.535 90 G N 2.935 111.767 108.800 0.054 0.000 2.179 90 G HA2 -0.212 3.784 3.960 0.061 0.000 0.260 90 G HA3 -0.212 3.784 3.960 0.061 0.000 0.260 90 G C 0.138 175.051 174.900 0.021 0.000 0.977 90 G CA -0.351 44.770 45.100 0.034 0.000 0.641 90 G HN 0.631 nan 8.290 nan 0.000 0.533 91 R N 0.110 120.635 120.500 0.042 0.000 2.732 91 R HA 0.699 5.076 4.340 0.061 0.000 0.278 91 R C 0.310 176.604 176.300 -0.010 0.000 0.976 91 R CA -0.755 55.324 56.100 -0.036 0.000 0.963 91 R CB 0.921 31.210 30.300 -0.018 0.000 1.150 91 R HN 0.372 nan 8.270 nan 0.000 0.478 92 R N 0.422 120.860 120.500 -0.102 0.000 2.664 92 R HA 0.624 5.001 4.340 0.061 0.000 0.286 92 R C -0.654 175.658 176.300 0.019 0.000 0.967 92 R CA -1.029 55.073 56.100 0.003 0.000 0.933 92 R CB 2.196 32.509 30.300 0.022 0.000 1.146 92 R HN 0.312 nan 8.270 nan 0.000 0.468 93 V N 1.004 121.024 119.914 0.175 0.000 2.709 93 V HA 0.689 4.846 4.120 0.061 0.000 0.308 93 V C -0.939 175.301 176.094 0.243 0.000 1.062 93 V CA -0.580 61.883 62.300 0.271 0.000 0.901 93 V CB 1.858 33.917 31.823 0.394 0.000 1.003 93 V HN 0.957 nan 8.190 nan 0.000 0.425 94 A N 7.004 129.955 122.820 0.218 0.000 2.303 94 A HA 0.854 5.211 4.320 0.061 0.000 0.317 94 A C -0.564 177.117 177.584 0.162 0.000 1.149 94 A CA -0.600 51.574 52.037 0.228 0.000 0.822 94 A CB 0.659 19.675 19.000 0.026 0.000 1.131 94 A HN 0.840 nan 8.150 nan 0.000 0.493 95 I N 1.807 122.482 120.570 0.174 0.000 2.378 95 I HA 0.252 4.458 4.170 0.061 0.000 0.291 95 I C 0.428 176.606 176.117 0.102 0.000 0.992 95 I CA -0.647 60.723 61.300 0.117 0.000 1.154 95 I CB 1.760 39.825 38.000 0.108 0.000 1.315 95 I HN 0.760 nan 8.210 nan 0.000 0.448 96 K N 4.166 124.602 120.400 0.060 0.000 2.524 96 K HA -0.123 4.233 4.320 0.061 0.000 0.279 96 K C 0.707 177.339 176.600 0.053 0.000 0.993 96 K CA 0.205 56.518 56.287 0.043 0.000 1.030 96 K CB 0.527 33.040 32.500 0.021 0.000 0.891 96 K HN 0.548 nan 8.250 nan 0.000 0.488 97 D N 2.515 122.945 120.400 0.051 0.000 2.403 97 D HA -0.133 4.543 4.640 0.061 0.000 0.227 97 D C 0.992 177.300 176.300 0.012 0.000 0.995 97 D CA 1.158 55.185 54.000 0.044 0.000 0.928 97 D CB -0.040 40.752 40.800 -0.013 0.000 0.887 97 D HN 0.722 nan 8.370 nan 0.000 0.529 98 N N -1.391 117.314 118.700 0.008 0.000 2.280 98 N HA 0.016 4.792 4.740 0.061 0.000 0.192 98 N C -0.544 174.992 175.510 0.044 0.000 1.109 98 N CA -0.212 52.851 53.050 0.022 0.000 0.855 98 N CB 0.618 39.124 38.487 0.031 0.000 0.974 98 N HN -0.161 nan 8.380 nan 0.000 0.482 99 V N 1.737 121.664 119.914 0.022 0.000 2.398 99 V HA 0.265 4.422 4.120 0.061 0.000 0.286 99 V C 0.442 176.564 176.094 0.048 0.000 1.026 99 V CA -0.967 61.328 62.300 -0.007 0.000 0.868 99 V CB 1.138 32.938 31.823 -0.037 0.000 0.982 99 V HN 0.375 nan 8.190 nan 0.000 0.443 100 T N 2.541 117.134 114.554 0.065 0.000 2.901 100 T HA 0.525 4.911 4.350 0.061 0.000 0.301 100 T C -0.441 174.289 174.700 0.049 0.000 1.012 100 T CA -0.442 61.711 62.100 0.088 0.000 1.135 100 T CB 1.138 70.085 68.868 0.132 0.000 0.936 100 T HN 0.350 nan 8.240 nan 0.000 0.539 101 V N 2.911 122.846 119.914 0.036 0.000 2.447 101 V HA 0.616 4.772 4.120 0.061 0.000 0.292 101 V C 0.687 176.775 176.094 -0.011 0.000 1.021 101 V CA -1.255 61.057 62.300 0.020 0.000 0.850 101 V CB 0.963 32.803 31.823 0.030 0.000 1.005 101 V HN 1.347 nan 8.190 nan 0.000 0.426 102 A N 3.591 126.405 122.820 -0.011 0.000 2.565 102 A HA 0.475 4.831 4.320 0.061 0.000 0.237 102 A C 1.613 179.167 177.584 -0.050 0.000 1.053 102 A CA 0.999 53.015 52.037 -0.035 0.000 0.755 102 A CB -0.313 18.677 19.000 -0.015 0.000 0.980 102 A HN 2.327 nan 8.150 nan 0.000 0.506 103 G N 0.541 109.290 108.800 -0.085 0.000 2.184 103 G HA2 -0.153 3.843 3.960 0.061 0.000 0.264 103 G HA3 -0.153 3.843 3.960 0.061 0.000 0.264 103 G C 0.154 174.996 174.900 -0.097 0.000 0.975 103 G CA 0.383 45.437 45.100 -0.077 0.000 0.642 103 G HN 1.588 nan 8.290 nan 0.000 0.536 104 V N 2.839 122.677 119.914 -0.126 0.000 2.448 104 V HA 0.539 4.696 4.120 0.061 0.000 0.295 104 V C -1.566 174.403 176.094 -0.208 0.000 1.025 104 V CA -1.623 60.569 62.300 -0.181 0.000 0.859 104 V CB 2.179 33.950 31.823 -0.087 0.000 0.988 104 V HN 0.175 nan 8.190 nan 0.000 0.431 105 P HA 0.206 nan 4.420 nan 0.000 0.268 105 P C -0.885 176.495 177.300 0.134 0.000 1.208 105 P CA -0.085 62.932 63.100 -0.138 0.000 0.777 105 P CB 0.751 32.338 31.700 -0.188 0.000 0.875 106 M N 1.520 121.237 119.600 0.195 0.000 2.470 106 M HA 0.517 5.033 4.480 0.061 0.000 0.285 106 M C 0.107 176.451 176.300 0.073 0.000 1.213 106 M CA -0.797 54.620 55.300 0.196 0.000 0.901 106 M CB 2.731 35.426 32.600 0.159 0.000 1.718 106 M HN 0.311 nan 8.290 nan 0.000 0.469 107 M N -0.047 119.429 119.600 -0.207 0.000 2.268 107 M HA 0.441 4.958 4.480 0.061 0.000 0.355 107 M C 0.120 176.286 176.300 -0.224 0.000 0.938 107 M CA -0.131 55.048 55.300 -0.202 0.000 1.025 107 M CB 0.455 32.852 32.600 -0.338 0.000 1.773 107 M HN 0.950 nan 8.290 nan 0.000 0.613 108 N N 2.797 121.358 118.700 -0.231 0.000 2.716 108 N HA -0.178 4.598 4.740 0.061 0.000 0.250 108 N C 0.774 176.166 175.510 -0.197 0.000 1.033 108 N CA 1.465 54.378 53.050 -0.228 0.000 0.727 108 N CB -1.510 36.741 38.487 -0.393 0.000 0.950 108 N HN 0.982 nan 8.380 nan 0.000 0.541 109 G N -1.687 106.995 108.800 -0.197 0.000 2.269 109 G HA2 -0.288 3.709 3.960 0.061 0.000 0.277 109 G HA3 -0.288 3.709 3.960 0.061 0.000 0.277 109 G C 0.039 174.888 174.900 -0.084 0.000 1.008 109 G CA 1.077 46.099 45.100 -0.131 0.000 0.774 109 G HN 1.183 nan 8.290 nan 0.000 0.511 110 S N -1.577 114.063 115.700 -0.100 0.000 2.542 110 S HA 0.673 5.180 4.470 0.061 0.000 0.293 110 S C 1.393 175.975 174.600 -0.031 0.000 1.089 110 S CA -0.759 57.418 58.200 -0.039 0.000 0.961 110 S CB 1.032 64.221 63.200 -0.020 0.000 1.062 110 S HN 0.160 nan 8.310 nan 0.000 0.483 111 R N 1.427 121.915 120.500 -0.021 0.000 2.235 111 R HA -0.016 4.361 4.340 0.061 0.000 0.213 111 R C 1.965 178.213 176.300 -0.087 0.000 1.059 111 R CA 1.563 57.608 56.100 -0.090 0.000 0.997 111 R CB -1.396 28.832 30.300 -0.120 0.000 0.884 111 R HN 0.862 nan 8.270 nan 0.000 0.462 112 T N -3.020 111.562 114.554 0.047 0.000 3.085 112 T HA 0.058 4.444 4.350 0.061 0.000 0.263 112 T C 1.697 176.537 174.700 0.234 0.000 1.127 112 T CA 0.496 62.679 62.100 0.138 0.000 1.103 112 T CB 0.110 69.096 68.868 0.197 0.000 0.921 112 T HN -0.049 nan 8.240 nan 0.000 0.510 113 V N 0.053 120.073 119.914 0.177 0.000 3.484 113 V HA 0.260 4.417 4.120 0.061 0.000 0.252 113 V C 0.903 177.173 176.094 0.294 0.000 1.282 113 V CA -0.366 62.075 62.300 0.235 0.000 1.104 113 V CB 0.373 32.187 31.823 -0.016 0.000 0.868 113 V HN 0.515 nan 8.190 nan 0.000 0.457 114 E N 0.912 121.199 120.200 0.145 0.000 2.608 114 E HA 0.218 4.605 4.350 0.061 0.000 0.259 114 E C 1.187 177.951 176.600 0.273 0.000 0.951 114 E CA 1.202 57.688 56.400 0.143 0.000 0.945 114 E CB 0.169 29.899 29.700 0.050 0.000 0.916 114 E HN 0.458 nan 8.360 nan 0.000 0.477 115 G N 3.493 112.443 108.800 0.251 0.000 2.201 115 G HA2 -0.273 3.723 3.960 0.061 0.000 0.212 115 G HA3 -0.273 3.723 3.960 0.061 0.000 0.212 115 G C -0.271 174.702 174.900 0.121 0.000 0.994 115 G CA -0.093 45.148 45.100 0.235 0.000 0.644 115 G HN 0.521 nan 8.290 nan 0.000 0.508 116 F N 2.326 122.198 119.950 -0.130 0.000 2.394 116 F HA 0.720 5.287 4.527 0.068 0.000 0.340 116 F C 0.211 175.932 175.800 -0.132 0.000 1.105 116 F CA -0.032 57.743 58.000 -0.377 0.000 1.124 116 F CB 2.161 40.909 39.000 -0.420 0.000 1.145 116 F HN 0.023 nan 8.300 nan 0.000 0.505 117 T N 8.574 122.542 114.554 -0.976 0.000 2.892 117 T HA 0.431 4.817 4.350 0.061 0.000 0.311 117 T C -2.707 171.312 174.700 -1.135 0.000 1.033 117 T CA -1.944 59.691 62.100 -0.774 0.000 0.991 117 T CB 0.590 69.233 68.868 -0.375 0.000 0.981 117 T HN 0.489 nan 8.240 nan 0.000 0.457 118 P HA 0.167 nan 4.420 nan 0.000 0.271 118 P C 0.418 177.586 177.300 -0.220 0.000 1.233 118 P CA -0.236 62.550 63.100 -0.523 0.000 0.789 118 P CB 0.882 32.533 31.700 -0.082 0.000 0.951 119 S N 0.073 115.743 115.700 -0.050 0.000 2.512 119 S HA 0.193 4.699 4.470 0.061 0.000 0.216 119 S C 0.689 175.298 174.600 0.014 0.000 1.006 119 S CA -0.386 57.805 58.200 -0.015 0.000 0.915 119 S CB 0.132 63.349 63.200 0.029 0.000 0.824 119 S HN 0.398 nan 8.310 nan 0.000 0.497 120 R N 0.917 121.441 120.500 0.040 0.000 2.803 120 R HA 0.585 4.961 4.340 0.061 0.000 0.276 120 R C -1.628 174.696 176.300 0.039 0.000 0.978 120 R CA -0.806 55.320 56.100 0.044 0.000 0.939 120 R CB 0.784 31.124 30.300 0.066 0.000 1.179 120 R HN 0.108 nan 8.270 nan 0.000 0.472 121 D N 0.923 121.341 120.400 0.030 0.000 2.210 121 D HA 0.290 4.966 4.640 0.061 0.000 0.249 121 D C -0.187 176.130 176.300 0.028 0.000 1.062 121 D CA -0.121 53.895 54.000 0.026 0.000 0.891 121 D CB 1.761 42.573 40.800 0.019 0.000 1.186 121 D HN 0.570 nan 8.370 nan 0.000 0.432 122 A N 1.724 124.556 122.820 0.020 0.000 2.425 122 A HA 0.164 4.521 4.320 0.061 0.000 0.242 122 A C 1.456 179.040 177.584 -0.000 0.000 1.077 122 A CA -0.024 52.013 52.037 0.001 0.000 0.781 122 A CB 0.240 19.221 19.000 -0.031 0.000 1.020 122 A HN 0.589 nan 8.150 nan 0.000 0.494 123 T N 1.053 115.604 114.554 -0.005 0.000 2.720 123 T HA -0.174 4.212 4.350 0.061 0.000 0.268 123 T C 1.967 176.665 174.700 -0.004 0.000 1.037 123 T CA 2.066 64.167 62.100 0.000 0.000 1.144 123 T CB -0.760 68.109 68.868 0.002 0.000 0.864 123 T HN 0.968 nan 8.240 nan 0.000 0.444 124 V N 0.192 120.097 119.914 -0.015 0.000 2.407 124 V HA -0.115 4.042 4.120 0.061 0.000 0.248 124 V C 2.419 178.510 176.094 -0.005 0.000 1.055 124 V CA 1.270 63.561 62.300 -0.015 0.000 1.049 124 V CB -1.393 30.414 31.823 -0.027 0.000 0.662 124 V HN 0.323 nan 8.190 nan 0.000 0.455 125 V N 1.145 121.060 119.914 0.002 0.000 2.307 125 V HA -0.228 3.928 4.120 0.061 0.000 0.245 125 V C 2.825 178.930 176.094 0.018 0.000 1.045 125 V CA 2.748 65.058 62.300 0.017 0.000 1.024 125 V CB -1.187 30.649 31.823 0.022 0.000 0.651 125 V HN 0.662 nan 8.190 nan 0.000 0.449 126 T N -0.290 114.273 114.554 0.014 0.000 2.708 126 T HA -0.213 4.174 4.350 0.061 0.000 0.266 126 T C 2.065 176.773 174.700 0.013 0.000 1.037 126 T CA 1.594 63.703 62.100 0.014 0.000 1.146 126 T CB -0.252 68.624 68.868 0.013 0.000 0.865 126 T HN 0.409 nan 8.240 nan 0.000 0.435 127 R N 0.153 120.657 120.500 0.008 0.000 2.081 127 R HA -0.011 4.365 4.340 0.061 0.000 0.235 127 R C 2.323 178.626 176.300 0.005 0.000 1.131 127 R CA 0.902 57.005 56.100 0.005 0.000 0.960 127 R CB -0.541 29.760 30.300 0.000 0.000 0.856 127 R HN 0.194 nan 8.270 nan 0.000 0.436 128 L N 0.837 122.063 121.223 0.005 0.000 2.012 128 L HA -0.174 4.203 4.340 0.061 0.000 0.210 128 L C 2.175 179.066 176.870 0.035 0.000 1.073 128 L CA 1.669 56.517 54.840 0.012 0.000 0.748 128 L CB -0.693 41.380 42.059 0.023 0.000 0.891 128 L HN 0.195 nan 8.230 nan 0.000 0.431 129 L N -1.357 119.887 121.223 0.035 0.000 2.141 129 L HA -0.148 4.228 4.340 0.061 0.000 0.209 129 L C 2.430 179.318 176.870 0.031 0.000 1.094 129 L CA 1.007 55.870 54.840 0.038 0.000 0.763 129 L CB -0.683 41.395 42.059 0.032 0.000 0.908 129 L HN 0.264 nan 8.230 nan 0.000 0.437 130 A N -0.245 122.589 122.820 0.023 0.000 2.119 130 A HA 0.111 4.467 4.320 0.061 0.000 0.217 130 A C 2.141 179.738 177.584 0.021 0.000 1.153 130 A CA 1.175 53.224 52.037 0.019 0.000 0.692 130 A CB -0.345 18.664 19.000 0.014 0.000 0.799 130 A HN 0.349 nan 8.150 nan 0.000 0.458 131 A N -1.806 121.028 122.820 0.024 0.000 2.379 131 A HA 0.463 4.819 4.320 0.061 0.000 0.236 131 A C 1.543 179.152 177.584 0.043 0.000 1.272 131 A CA 0.944 52.996 52.037 0.026 0.000 0.886 131 A CB -0.718 18.289 19.000 0.012 0.000 0.962 131 A HN 1.704 nan 8.150 nan 0.000 0.504 132 G N -1.862 106.966 108.800 0.047 0.000 2.175 132 G HA2 0.102 4.099 3.960 0.061 0.000 0.244 132 G HA3 0.102 4.099 3.960 0.061 0.000 0.244 132 G C 0.429 175.376 174.900 0.079 0.000 0.982 132 G CA 0.174 45.308 45.100 0.057 0.000 0.641 132 G HN 1.561 nan 8.290 nan 0.000 0.527 133 A N -0.049 122.828 122.820 0.096 0.000 2.340 133 A HA 0.764 5.120 4.320 0.061 0.000 0.268 133 A C 0.510 178.155 177.584 0.101 0.000 1.100 133 A CA 0.818 52.937 52.037 0.136 0.000 0.803 133 A CB 0.690 19.805 19.000 0.192 0.000 1.043 133 A HN 0.674 nan 8.150 nan 0.000 0.488 134 T N 1.527 116.141 114.554 0.100 0.000 2.795 134 T HA 0.425 4.811 4.350 0.061 0.000 0.282 134 T C -0.231 174.524 174.700 0.093 0.000 0.980 134 T CA -0.252 61.891 62.100 0.073 0.000 1.012 134 T CB 1.075 69.972 68.868 0.048 0.000 0.936 134 T HN 0.388 nan 8.240 nan 0.000 0.457 135 V N 3.661 123.623 119.914 0.081 0.000 2.389 135 V HA 0.311 4.467 4.120 0.061 0.000 0.264 135 V C 1.201 177.346 176.094 0.084 0.000 1.049 135 V CA -0.184 62.176 62.300 0.099 0.000 0.932 135 V CB 0.569 32.441 31.823 0.082 0.000 1.011 135 V HN 1.133 nan 8.190 nan 0.000 0.475 136 A N 4.072 126.970 122.820 0.130 0.000 2.123 136 A HA 0.611 4.967 4.320 0.061 0.000 0.214 136 A C 1.132 178.701 177.584 -0.025 0.000 1.152 136 A CA 0.936 53.020 52.037 0.079 0.000 0.728 136 A CB -0.094 19.027 19.000 0.202 0.000 0.814 136 A HN 1.325 nan 8.150 nan 0.000 0.464 137 G N -1.011 107.892 108.800 0.171 0.000 2.356 137 G HA2 0.374 4.371 3.960 0.061 0.000 0.288 137 G HA3 0.374 4.371 3.960 0.061 0.000 0.288 137 G C -1.888 173.250 174.900 0.397 0.000 1.302 137 G CA -0.957 44.249 45.100 0.176 0.000 0.887 137 G HN 0.013 nan 8.290 nan 0.000 0.521 138 K N 0.317 120.951 120.400 0.391 0.000 2.235 138 K HA 0.753 5.110 4.320 0.061 0.000 0.266 138 K C 0.021 176.878 176.600 0.428 0.000 0.980 138 K CA -0.320 56.180 56.287 0.355 0.000 0.849 138 K CB 1.690 34.385 32.500 0.325 0.000 1.098 138 K HN 1.040 nan 8.250 nan 0.000 0.445 139 A N 2.995 125.959 122.820 0.240 0.000 2.301 139 A HA 0.378 4.734 4.320 0.061 0.000 0.298 139 A C 0.168 177.807 177.584 0.091 0.000 1.185 139 A CA -0.685 51.410 52.037 0.097 0.000 0.830 139 A CB 0.441 19.406 19.000 -0.059 0.000 1.112 139 A HN 0.454 nan 8.150 nan 0.000 0.508 140 V N 1.682 121.653 119.914 0.094 0.000 2.928 140 V HA 0.172 4.328 4.120 0.061 0.000 0.307 140 V C 0.844 176.940 176.094 0.004 0.000 1.105 140 V CA 0.563 62.894 62.300 0.052 0.000 1.223 140 V CB -0.373 31.489 31.823 0.064 0.000 0.930 140 V HN 1.256 nan 8.190 nan 0.000 0.499 141 C N 3.125 122.412 119.300 -0.022 0.000 3.154 141 C HA 0.712 5.208 4.460 0.061 0.000 0.312 141 C C -0.240 174.730 174.990 -0.033 0.000 1.349 141 C CA -1.144 57.859 59.018 -0.025 0.000 1.518 141 C CB 1.527 29.253 27.740 -0.025 0.000 1.934 141 C HN 0.749 nan 8.230 nan 0.000 0.462 142 E N 1.034 121.217 120.200 -0.028 0.000 2.422 142 E HA 0.071 4.457 4.350 0.061 0.000 0.260 142 E C -0.216 176.379 176.600 -0.010 0.000 1.108 142 E CA 0.342 56.726 56.400 -0.026 0.000 0.943 142 E CB 0.322 30.006 29.700 -0.027 0.000 0.961 142 E HN 0.737 nan 8.360 nan 0.000 0.443 143 D N 1.890 122.301 120.400 0.018 0.000 2.402 143 D HA -0.092 4.584 4.640 0.061 0.000 0.268 143 D C 0.634 176.973 176.300 0.065 0.000 1.294 143 D CA 0.361 54.383 54.000 0.036 0.000 0.945 143 D CB -0.170 40.679 40.800 0.081 0.000 1.112 143 D HN 0.406 nan 8.370 nan 0.000 0.517 144 L N 3.285 124.501 121.223 -0.012 0.000 3.839 144 L HA -0.362 4.014 4.340 0.061 0.000 0.416 144 L C 0.929 177.847 176.870 0.080 0.000 1.195 144 L CA -0.113 54.716 54.840 -0.018 0.000 0.946 144 L CB -2.195 39.925 42.059 0.103 0.000 1.891 144 L HN 0.657 nan 8.230 nan 0.000 0.963 145 C N -1.509 117.808 119.300 0.027 0.000 4.185 145 C HA -0.240 4.256 4.460 0.061 0.000 0.297 145 C C 1.018 175.995 174.990 -0.022 0.000 1.463 145 C CA 1.077 60.097 59.018 0.003 0.000 2.032 145 C CB -2.713 25.017 27.740 -0.017 0.000 1.282 145 C HN 0.572 nan 8.230 nan 0.000 0.770 146 F N 1.207 121.198 119.950 0.068 0.000 2.550 146 F HA 0.492 5.055 4.527 0.060 0.000 0.312 146 F C 0.583 176.435 175.800 0.088 0.000 1.256 146 F CA 0.415 58.478 58.000 0.105 0.000 1.182 146 F CB 0.414 39.481 39.000 0.113 0.000 1.383 146 F HN 0.291 nan 8.300 nan 0.000 0.541 147 S N -0.345 115.448 115.700 0.154 0.000 2.548 147 S HA 0.438 4.944 4.470 0.061 0.000 0.278 147 S C 0.451 175.055 174.600 0.007 0.000 1.150 147 S CA -0.183 58.053 58.200 0.059 0.000 0.907 147 S CB 0.968 64.113 63.200 -0.092 0.000 1.108 147 S HN 0.417 nan 8.310 nan 0.000 0.459 148 G N 1.732 110.546 108.800 0.025 0.000 2.985 148 G HA2 0.292 4.288 3.960 0.061 0.000 0.209 148 G HA3 0.292 4.288 3.960 0.061 0.000 0.209 148 G C 0.581 175.528 174.900 0.077 0.000 1.165 148 G CA 0.457 45.578 45.100 0.035 0.000 0.776 148 G HN 0.691 nan 8.290 nan 0.000 0.541 149 S N -0.746 114.936 115.700 -0.029 0.000 2.753 149 S HA 0.531 5.037 4.470 0.061 0.000 0.302 149 S C 1.067 175.596 174.600 -0.119 0.000 1.104 149 S CA 0.288 58.477 58.200 -0.018 0.000 0.968 149 S CB 1.414 64.592 63.200 -0.037 0.000 1.278 149 S HN 0.313 nan 8.310 nan 0.000 0.549 150 S N 0.625 116.285 115.700 -0.067 0.000 2.741 150 S HA 0.268 4.774 4.470 0.061 0.000 0.247 150 S C 0.080 174.680 174.600 0.001 0.000 1.050 150 S CA -0.552 57.623 58.200 -0.042 0.000 1.025 150 S CB -0.722 62.494 63.200 0.027 0.000 0.897 150 S HN 0.684 nan 8.310 nan 0.000 0.508 151 F N 0.097 120.013 119.950 -0.057 0.000 2.654 151 F HA 0.419 4.983 4.527 0.062 0.000 0.303 151 F C 1.445 177.229 175.800 -0.027 0.000 1.099 151 F CA -0.052 57.911 58.000 -0.061 0.000 1.270 151 F CB -0.302 38.628 39.000 -0.117 0.000 1.024 151 F HN 0.253 nan 8.300 nan 0.000 0.548 152 T N -3.527 110.888 114.554 -0.231 0.000 3.060 152 T HA 0.334 4.720 4.350 0.061 0.000 0.249 152 T C -2.087 172.645 174.700 0.054 0.000 1.079 152 T CA -0.812 61.274 62.100 -0.023 0.000 1.013 152 T CB -1.107 67.724 68.868 -0.063 0.000 0.975 152 T HN -0.020 nan 8.240 nan 0.000 0.518 153 P HA 0.322 nan 4.420 nan 0.000 0.268 153 P C 0.833 178.166 177.300 0.055 0.000 1.204 153 P CA 0.097 63.213 63.100 0.028 0.000 0.768 153 P CB 0.654 32.366 31.700 0.021 0.000 0.842 154 A N 3.084 125.926 122.820 0.036 0.000 2.070 154 A HA -0.140 4.216 4.320 0.061 0.000 0.220 154 A C 1.789 179.406 177.584 0.055 0.000 1.159 154 A CA 1.903 53.967 52.037 0.045 0.000 0.656 154 A CB -1.168 17.842 19.000 0.017 0.000 0.800 154 A HN 0.572 nan 8.150 nan 0.000 0.453 155 S N -1.666 114.066 115.700 0.053 0.000 2.593 155 S HA 0.459 4.966 4.470 0.061 0.000 0.217 155 S C 0.884 175.538 174.600 0.089 0.000 0.966 155 S CA 0.510 58.760 58.200 0.084 0.000 0.914 155 S CB -0.603 62.664 63.200 0.112 0.000 0.776 155 S HN 1.957 nan 8.310 nan 0.000 0.523 156 G N 1.823 110.673 108.800 0.084 0.000 2.539 156 G HA2 0.069 4.066 3.960 0.061 0.000 0.686 156 G HA3 0.069 4.066 3.960 0.061 0.000 0.686 156 G C -3.443 171.510 174.900 0.088 0.000 1.258 156 G CA -0.819 44.334 45.100 0.089 0.000 0.846 156 G HN 0.183 nan 8.290 nan 0.000 0.647 157 P HA 0.378 nan 4.420 nan 0.000 0.271 157 P C 0.316 177.658 177.300 0.071 0.000 1.220 157 P CA -0.032 63.127 63.100 0.099 0.000 0.768 157 P CB 1.268 33.040 31.700 0.120 0.000 0.848 158 V N 5.625 125.573 119.914 0.057 0.000 2.530 158 V HA 0.164 4.320 4.120 0.061 0.000 0.282 158 V C 1.229 177.347 176.094 0.039 0.000 1.048 158 V CA -0.143 62.181 62.300 0.040 0.000 0.997 158 V CB 0.073 31.910 31.823 0.023 0.000 0.987 158 V HN 0.496 nan 8.190 nan 0.000 0.477 159 R N 3.279 123.799 120.500 0.033 0.000 2.368 159 R HA 0.313 4.689 4.340 0.061 0.000 0.302 159 R C 0.093 176.416 176.300 0.038 0.000 1.002 159 R CA -0.753 55.366 56.100 0.033 0.000 0.929 159 R CB 0.740 31.058 30.300 0.031 0.000 1.073 159 R HN 0.663 nan 8.270 nan 0.000 0.464 160 N N 4.149 122.880 118.700 0.051 0.000 2.468 160 N HA 0.015 4.792 4.740 0.061 0.000 0.265 160 N C -1.610 173.962 175.510 0.105 0.000 1.199 160 N CA -1.597 51.513 53.050 0.100 0.000 0.928 160 N CB 1.045 39.600 38.487 0.113 0.000 1.059 160 N HN 0.369 nan 8.380 nan 0.000 0.467 161 P HA -0.082 nan 4.420 nan 0.000 0.225 161 P C 0.811 178.082 177.300 -0.047 0.000 1.148 161 P CA 1.056 64.149 63.100 -0.013 0.000 0.779 161 P CB 0.009 31.662 31.700 -0.079 0.000 0.780 162 W N 0.365 121.684 121.300 0.031 0.000 2.584 162 W HA 0.072 4.768 4.660 0.060 0.000 0.264 162 W C 0.557 177.088 176.519 0.020 0.000 1.264 162 W CA 0.752 58.119 57.345 0.036 0.000 1.306 162 W CB 0.179 29.675 29.460 0.060 0.000 1.110 162 W HN -0.059 nan 8.180 nan 0.000 0.606 163 D N -1.300 119.224 120.400 0.207 0.000 2.251 163 D HA 0.054 4.730 4.640 0.061 0.000 0.210 163 D C 0.500 176.843 176.300 0.071 0.000 1.304 163 D CA -0.307 53.764 54.000 0.118 0.000 0.912 163 D CB 0.566 41.435 40.800 0.116 0.000 1.553 163 D HN -0.062 nan 8.370 nan 0.000 0.526 164 R N 1.039 121.566 120.500 0.046 0.000 2.377 164 R HA -0.067 4.310 4.340 0.061 0.000 0.207 164 R C 1.140 177.453 176.300 0.021 0.000 1.075 164 R CA 0.760 56.878 56.100 0.031 0.000 1.035 164 R CB 0.302 30.616 30.300 0.022 0.000 0.857 164 R HN 0.366 nan 8.270 nan 0.000 0.475 165 Q N -0.019 119.791 119.800 0.016 0.000 2.319 165 Q HA 0.133 4.510 4.340 0.061 0.000 0.202 165 Q C 0.222 176.213 176.000 -0.015 0.000 0.896 165 Q CA 0.432 56.235 55.803 -0.000 0.000 0.942 165 Q CB 0.725 29.462 28.738 -0.002 0.000 1.083 165 Q HN 0.266 nan 8.270 nan 0.000 0.510 166 R N 1.149 121.643 120.500 -0.011 0.000 2.758 166 R HA 0.268 4.645 4.340 0.061 0.000 0.265 166 R C 0.041 176.306 176.300 -0.058 0.000 1.016 166 R CA -0.582 55.490 56.100 -0.046 0.000 1.040 166 R CB 1.045 31.317 30.300 -0.045 0.000 1.152 166 R HN 0.113 nan 8.270 nan 0.000 0.503 167 E N 0.449 120.570 120.200 -0.132 0.000 2.373 167 E HA 0.166 4.552 4.350 0.061 0.000 0.267 167 E C -0.143 176.359 176.600 -0.164 0.000 1.032 167 E CA -0.221 56.098 56.400 -0.135 0.000 0.889 167 E CB 1.168 30.755 29.700 -0.187 0.000 0.984 167 E HN 0.662 nan 8.360 nan 0.000 0.425 168 A N 3.332 126.135 122.820 -0.027 0.000 2.218 168 A HA 0.371 4.727 4.320 0.061 0.000 0.209 168 A C 1.094 178.778 177.584 0.167 0.000 1.168 168 A CA 0.609 52.681 52.037 0.059 0.000 0.804 168 A CB -0.594 18.443 19.000 0.061 0.000 0.834 168 A HN 1.137 nan 8.150 nan 0.000 0.482 169 G N -2.621 106.283 108.800 0.173 0.000 2.712 169 G HA2 0.471 4.468 3.960 0.061 0.000 0.683 169 G HA3 0.471 4.468 3.960 0.061 0.000 0.683 169 G C -0.061 174.941 174.900 0.170 0.000 1.320 169 G CA -0.455 44.908 45.100 0.440 0.000 0.847 169 G HN 1.832 nan 8.290 nan 0.000 0.553 170 G N -1.866 107.006 108.800 0.120 0.000 2.732 170 G HA2 0.710 4.706 3.960 0.061 0.000 0.296 170 G HA3 0.710 4.706 3.960 0.061 0.000 0.296 170 G C 0.518 175.415 174.900 -0.004 0.000 1.448 170 G CA 0.845 45.962 45.100 0.028 0.000 0.911 170 G HN 2.012 nan 8.290 nan 0.000 0.528 171 S N -0.215 115.476 115.700 -0.015 0.000 2.458 171 S HA 0.016 4.523 4.470 0.061 0.000 0.223 171 S C 1.693 176.288 174.600 -0.008 0.000 1.019 171 S CA 1.378 59.570 58.200 -0.013 0.000 0.937 171 S CB -0.040 63.153 63.200 -0.013 0.000 0.788 171 S HN 0.481 nan 8.310 nan 0.000 0.511 172 S N 1.642 117.339 115.700 -0.004 0.000 2.859 172 S HA 0.256 4.763 4.470 0.061 0.000 0.245 172 S C 1.548 176.148 174.600 0.000 0.000 1.008 172 S CA 0.186 58.385 58.200 -0.003 0.000 1.089 172 S CB -0.314 62.884 63.200 -0.003 0.000 0.798 172 S HN 0.655 nan 8.310 nan 0.000 0.477 173 G N 2.437 111.241 108.800 0.007 0.000 2.446 173 G HA2 -0.151 3.845 3.960 0.061 0.000 0.217 173 G HA3 -0.151 3.845 3.960 0.061 0.000 0.217 173 G C 1.434 176.329 174.900 -0.007 0.000 1.168 173 G CA 0.730 45.842 45.100 0.019 0.000 0.771 173 G HN 0.581 nan 8.290 nan 0.000 0.551 174 G N 0.597 109.380 108.800 -0.027 0.000 2.446 174 G HA2 -0.188 3.809 3.960 0.061 0.000 0.217 174 G HA3 -0.188 3.809 3.960 0.061 0.000 0.217 174 G C 2.159 176.983 174.900 -0.127 0.000 1.168 174 G CA 1.548 46.603 45.100 -0.076 0.000 0.771 174 G HN 0.428 nan 8.290 nan 0.000 0.551 175 S N 1.109 116.759 115.700 -0.084 0.000 2.353 175 S HA -0.107 4.399 4.470 0.061 0.000 0.222 175 S C 2.834 177.394 174.600 -0.067 0.000 1.035 175 S CA 1.512 59.662 58.200 -0.083 0.000 1.025 175 S CB -0.599 62.585 63.200 -0.026 0.000 0.902 175 S HN 0.628 nan 8.310 nan 0.000 0.440 176 A N 1.640 124.445 122.820 -0.025 0.000 1.883 176 A HA 0.009 4.365 4.320 0.061 0.000 0.217 176 A C 2.376 179.963 177.584 0.004 0.000 1.186 176 A CA 1.976 54.017 52.037 0.007 0.000 0.624 176 A CB -1.264 17.757 19.000 0.036 0.000 0.822 176 A HN 0.539 nan 8.150 nan 0.000 0.444 177 A N -0.179 122.630 122.820 -0.018 0.000 1.865 177 A HA -0.121 4.235 4.320 0.061 0.000 0.217 177 A C 2.190 179.721 177.584 -0.089 0.000 1.191 177 A CA 1.665 53.686 52.037 -0.028 0.000 0.623 177 A CB -0.780 18.192 19.000 -0.046 0.000 0.826 177 A HN 0.492 nan 8.150 nan 0.000 0.444 178 L N -0.572 120.535 121.223 -0.193 0.000 2.079 178 L HA -0.187 4.190 4.340 0.061 0.000 0.210 178 L C 2.521 179.307 176.870 -0.141 0.000 1.081 178 L CA 1.153 55.828 54.840 -0.275 0.000 0.752 178 L CB -0.555 41.167 42.059 -0.562 0.000 0.896 178 L HN 0.272 nan 8.230 nan 0.000 0.433 179 V N -0.205 119.658 119.914 -0.085 0.000 2.323 179 V HA -0.216 3.940 4.120 0.061 0.000 0.244 179 V C 2.691 178.785 176.094 0.001 0.000 1.041 179 V CA 1.723 64.007 62.300 -0.026 0.000 1.025 179 V CB -0.690 31.143 31.823 0.016 0.000 0.656 179 V HN 0.462 nan 8.190 nan 0.000 0.451 180 A N 0.245 123.080 122.820 0.024 0.000 1.969 180 A HA -0.231 4.125 4.320 0.061 0.000 0.218 180 A C 1.978 179.551 177.584 -0.017 0.000 1.169 180 A CA 2.103 54.176 52.037 0.060 0.000 0.635 180 A CB -0.748 18.341 19.000 0.148 0.000 0.810 180 A HN 0.589 nan 8.150 nan 0.000 0.445 181 N N -1.117 117.556 118.700 -0.044 0.000 2.515 181 N HA 0.148 4.925 4.740 0.061 0.000 0.185 181 N C 1.021 176.500 175.510 -0.051 0.000 1.109 181 N CA 1.275 54.282 53.050 -0.071 0.000 0.903 181 N CB -0.024 38.424 38.487 -0.064 0.000 0.969 181 N HN 0.580 nan 8.380 nan 0.000 0.450 182 G N -0.151 108.628 108.800 -0.036 0.000 2.159 182 G HA2 -0.307 3.689 3.960 0.061 0.000 0.256 182 G HA3 -0.307 3.689 3.960 0.061 0.000 0.256 182 G C 0.573 175.471 174.900 -0.004 0.000 0.977 182 G CA 0.590 45.675 45.100 -0.024 0.000 0.652 182 G HN 0.495 nan 8.290 nan 0.000 0.531 183 D N -0.680 119.725 120.400 0.007 0.000 2.219 183 D HA 0.262 4.939 4.640 0.061 0.000 0.205 183 D C 1.445 177.814 176.300 0.115 0.000 0.970 183 D CA 1.693 55.748 54.000 0.092 0.000 0.851 183 D CB 0.253 41.132 40.800 0.131 0.000 0.943 183 D HN 1.094 nan 8.370 nan 0.000 0.488 184 V N -3.481 116.448 119.914 0.025 0.000 3.159 184 V HA 0.299 4.455 4.120 0.061 0.000 0.308 184 V C 0.088 176.111 176.094 -0.119 0.000 1.190 184 V CA -0.937 61.362 62.300 -0.002 0.000 1.037 184 V CB 2.291 34.142 31.823 0.048 0.000 1.060 184 V HN -0.256 nan 8.190 nan 0.000 0.437 185 D N 0.816 121.039 120.400 -0.295 0.000 2.103 185 D HA 0.114 4.790 4.640 0.061 0.000 0.199 185 D C 0.188 176.191 176.300 -0.496 0.000 0.978 185 D CA 2.298 55.963 54.000 -0.559 0.000 0.829 185 D CB 0.126 40.296 40.800 -1.050 0.000 0.981 185 D HN 0.617 nan 8.370 nan 0.000 0.464 186 F N -0.954 119.016 119.950 0.033 0.000 2.789 186 F HA 0.712 5.275 4.527 0.060 0.000 0.319 186 F C -0.960 174.850 175.800 0.016 0.000 1.168 186 F CA -1.885 56.127 58.000 0.019 0.000 0.934 186 F CB 1.172 40.181 39.000 0.015 0.000 1.375 186 F HN -0.135 nan 8.300 nan 0.000 0.480 187 A N 0.459 123.449 122.820 0.282 0.000 2.606 187 A HA 0.784 5.140 4.320 0.061 0.000 0.293 187 A C -2.069 175.569 177.584 0.090 0.000 1.082 187 A CA -0.690 51.438 52.037 0.152 0.000 0.685 187 A CB 1.563 20.602 19.000 0.065 0.000 1.284 187 A HN 0.631 nan 8.150 nan 0.000 0.408 188 I N 1.494 122.102 120.570 0.064 0.000 2.359 188 I HA 0.581 4.787 4.170 0.061 0.000 0.294 188 I C 0.791 176.922 176.117 0.024 0.000 0.987 188 I CA 0.134 61.452 61.300 0.029 0.000 1.225 188 I CB 0.866 38.878 38.000 0.020 0.000 1.366 188 I HN 0.837 nan 8.210 nan 0.000 0.466 189 G N 3.685 112.495 108.800 0.018 0.000 2.630 189 G HA2 0.743 4.740 3.960 0.061 0.000 0.296 189 G HA3 0.743 4.740 3.960 0.061 0.000 0.296 189 G C -0.734 174.188 174.900 0.037 0.000 1.285 189 G CA -0.718 44.393 45.100 0.019 0.000 0.958 189 G HN 0.731 nan 8.290 nan 0.000 0.479 190 G N -0.808 108.025 108.800 0.054 0.000 2.453 190 G HA2 0.555 4.551 3.960 0.061 0.000 0.323 190 G HA3 0.555 4.551 3.960 0.061 0.000 0.323 190 G C -1.658 173.296 174.900 0.090 0.000 1.198 190 G CA -0.303 44.870 45.100 0.122 0.000 0.959 190 G HN 0.447 nan 8.290 nan 0.000 0.482 191 D N 0.541 121.018 120.400 0.128 0.000 2.602 191 D HA 0.306 4.982 4.640 0.061 0.000 0.245 191 D C -0.004 176.362 176.300 0.111 0.000 1.325 191 D CA -0.370 53.657 54.000 0.045 0.000 0.952 191 D CB 2.513 43.275 40.800 -0.064 0.000 1.317 191 D HN 0.199 nan 8.370 nan 0.000 0.577 192 Q N 1.316 121.168 119.800 0.087 0.000 2.431 192 Q HA 0.327 4.703 4.340 0.061 0.000 0.244 192 Q C 1.372 177.533 176.000 0.268 0.000 0.880 192 Q CA 0.463 56.373 55.803 0.177 0.000 0.954 192 Q CB 1.193 29.981 28.738 0.083 0.000 1.105 192 Q HN 0.514 nan 8.270 nan 0.000 0.558 193 G N -1.785 107.053 108.800 0.063 0.000 4.213 193 G HA2 0.465 4.462 3.960 0.061 0.000 0.274 193 G HA3 0.465 4.462 3.960 0.061 0.000 0.274 193 G C 0.532 175.236 174.900 -0.327 0.000 1.033 193 G CA 0.044 44.984 45.100 -0.267 0.000 0.822 193 G HN 0.337 nan 8.290 nan 0.000 0.432 194 G N 0.003 108.684 108.800 -0.199 0.000 2.234 194 G HA2 -0.184 3.812 3.960 0.061 0.000 0.153 194 G HA3 -0.184 3.812 3.960 0.061 0.000 0.153 194 G C 1.224 176.033 174.900 -0.152 0.000 1.013 194 G CA 0.558 45.535 45.100 -0.204 0.000 0.712 194 G HN 0.422 nan 8.290 nan 0.000 0.491 195 S N -0.106 115.534 115.700 -0.099 0.000 2.462 195 S HA -0.030 4.476 4.470 0.061 0.000 0.243 195 S C 2.089 176.655 174.600 -0.057 0.000 1.003 195 S CA 1.376 59.540 58.200 -0.060 0.000 0.970 195 S CB -0.035 63.151 63.200 -0.024 0.000 0.762 195 S HN 0.577 nan 8.310 nan 0.000 0.510 196 I N 0.212 120.735 120.570 -0.079 0.000 2.729 196 I HA 0.026 4.233 4.170 0.061 0.000 0.256 196 I C 2.488 178.543 176.117 -0.103 0.000 1.115 196 I CA 0.442 61.698 61.300 -0.073 0.000 1.446 196 I CB -0.012 37.940 38.000 -0.080 0.000 1.176 196 I HN 0.101 nan 8.210 nan 0.000 0.446 197 R N 0.795 121.205 120.500 -0.150 0.000 2.073 197 R HA -0.024 4.352 4.340 0.061 0.000 0.229 197 R C 2.255 178.419 176.300 -0.226 0.000 1.120 197 R CA 1.250 57.239 56.100 -0.185 0.000 0.967 197 R CB -0.251 29.919 30.300 -0.216 0.000 0.862 197 R HN 0.278 nan 8.270 nan 0.000 0.436 198 I N 1.429 121.853 120.570 -0.243 0.000 2.127 198 I HA -0.210 3.996 4.170 0.061 0.000 0.241 198 I C -0.677 175.275 176.117 -0.276 0.000 1.075 198 I CA 1.325 62.416 61.300 -0.348 0.000 1.334 198 I CB -1.151 36.682 38.000 -0.279 0.000 1.040 198 I HN 0.123 nan 8.210 nan 0.000 0.405 199 P HA -0.133 nan 4.420 nan 0.000 0.219 199 P C 1.414 178.730 177.300 0.027 0.000 1.150 199 P CA 1.851 64.985 63.100 0.056 0.000 0.814 199 P CB 0.013 31.745 31.700 0.053 0.000 0.787 200 A N 0.930 123.723 122.820 -0.046 0.000 1.883 200 A HA -0.103 4.253 4.320 0.061 0.000 0.217 200 A C 2.535 180.071 177.584 -0.081 0.000 1.186 200 A CA 2.394 54.403 52.037 -0.047 0.000 0.624 200 A CB -1.591 17.364 19.000 -0.075 0.000 0.822 200 A HN 0.232 nan 8.150 nan 0.000 0.444 201 A N -1.048 121.669 122.820 -0.172 0.000 1.858 201 A HA -0.071 4.286 4.320 0.061 0.000 0.216 201 A C 2.104 179.615 177.584 -0.121 0.000 1.190 201 A CA 1.484 53.382 52.037 -0.232 0.000 0.617 201 A CB -0.919 17.849 19.000 -0.386 0.000 0.827 201 A HN 0.540 nan 8.150 nan 0.000 0.443 202 F N -0.520 119.371 119.950 -0.099 0.000 2.161 202 F HA -0.268 4.295 4.527 0.060 0.000 0.300 202 F C 2.220 177.999 175.800 -0.035 0.000 1.089 202 F CA 0.896 58.857 58.000 -0.065 0.000 1.282 202 F CB -0.126 38.861 39.000 -0.022 0.000 1.010 202 F HN 0.251 nan 8.300 nan 0.000 0.485 203 C N -0.179 119.254 119.300 0.221 0.000 2.697 203 C HA 0.358 4.854 4.460 0.061 0.000 0.267 203 C C 1.569 176.744 174.990 0.307 0.000 1.278 203 C CA 0.418 59.609 59.018 0.288 0.000 1.708 203 C CB -0.868 27.020 27.740 0.246 0.000 1.860 203 C HN 0.725 nan 8.230 nan 0.000 0.589 204 G N 1.502 110.341 108.800 0.064 0.000 2.256 204 G HA2 -0.108 3.889 3.960 0.061 0.000 0.272 204 G HA3 -0.108 3.889 3.960 0.061 0.000 0.272 204 G C -0.147 174.752 174.900 -0.002 0.000 1.076 204 G CA 0.575 45.658 45.100 -0.029 0.000 0.882 204 G HN 0.993 nan 8.290 nan 0.000 0.497 205 V N -4.137 115.762 119.914 -0.025 0.000 3.119 205 V HA 0.908 5.065 4.120 0.061 0.000 0.311 205 V C 0.529 176.588 176.094 -0.057 0.000 1.259 205 V CA -1.214 61.082 62.300 -0.006 0.000 1.067 205 V CB 1.858 33.717 31.823 0.061 0.000 1.123 205 V HN 0.569 nan 8.190 nan 0.000 0.463 206 V N 0.704 120.605 119.914 -0.021 0.000 2.509 206 V HA 0.815 4.971 4.120 0.061 0.000 0.284 206 V C 0.719 176.804 176.094 -0.015 0.000 1.047 206 V CA 0.664 62.947 62.300 -0.028 0.000 0.952 206 V CB 1.012 32.833 31.823 -0.004 0.000 0.988 206 V HN 1.321 nan 8.190 nan 0.000 0.469 207 G N 2.094 110.875 108.800 -0.032 0.000 2.707 207 G HA2 0.552 4.548 3.960 0.061 0.000 0.299 207 G HA3 0.552 4.548 3.960 0.061 0.000 0.299 207 G C -1.709 173.186 174.900 -0.009 0.000 1.442 207 G CA -0.461 44.623 45.100 -0.028 0.000 1.009 207 G HN 0.783 nan 8.290 nan 0.000 0.515 208 H N 1.405 120.409 119.070 -0.110 0.000 2.646 208 H HA 0.479 5.071 4.556 0.061 0.000 0.328 208 H C -0.369 174.881 175.328 -0.130 0.000 0.998 208 H CA -0.656 55.311 56.048 -0.135 0.000 1.225 208 H CB 1.598 31.274 29.762 -0.143 0.000 1.457 208 H HN 0.373 nan 8.280 nan 0.000 0.505 209 K N 7.293 127.327 120.400 -0.611 0.000 2.263 209 K HA 0.297 4.653 4.320 0.061 0.000 0.282 209 K C -2.699 173.473 176.600 -0.714 0.000 1.089 209 K CA -1.894 54.096 56.287 -0.495 0.000 0.907 209 K CB 0.599 32.832 32.500 -0.445 0.000 1.148 209 K HN 0.444 nan 8.250 nan 0.000 0.470 210 P HA 0.011 nan 4.420 nan 0.000 0.272 210 P C -0.629 176.585 177.300 -0.143 0.000 1.254 210 P CA -0.307 62.635 63.100 -0.264 0.000 0.795 210 P CB 0.396 32.072 31.700 -0.039 0.000 1.022 211 T N 0.924 115.383 114.554 -0.158 0.000 2.946 211 T HA 0.001 4.388 4.350 0.061 0.000 0.311 211 T C 0.190 174.840 174.700 -0.083 0.000 1.063 211 T CA 0.240 62.170 62.100 -0.283 0.000 1.139 211 T CB -0.490 67.966 68.868 -0.686 0.000 0.994 211 T HN 0.161 nan 8.240 nan 0.000 0.547 212 F N 2.587 122.469 119.950 -0.112 0.000 2.623 212 F HA 0.336 4.898 4.527 0.059 0.000 0.383 212 F C 1.421 177.182 175.800 -0.065 0.000 1.077 212 F CA 1.051 58.982 58.000 -0.115 0.000 1.268 212 F CB -0.290 38.662 39.000 -0.079 0.000 1.053 212 F HN 0.815 nan 8.300 nan 0.000 0.571 213 G N 4.412 112.746 108.800 -0.778 0.000 2.199 213 G HA2 -0.361 3.636 3.960 0.061 0.000 0.254 213 G HA3 -0.361 3.636 3.960 0.061 0.000 0.254 213 G C 0.725 175.597 174.900 -0.046 0.000 0.982 213 G CA 0.435 45.257 45.100 -0.463 0.000 0.632 213 G HN 0.839 nan 8.290 nan 0.000 0.529 214 L N 0.752 122.010 121.223 0.059 0.000 2.023 214 L HA 0.409 4.786 4.340 0.061 0.000 0.205 214 L C 1.467 178.387 176.870 0.084 0.000 1.073 214 L CA 1.643 56.602 54.840 0.199 0.000 0.745 214 L CB -0.115 42.074 42.059 0.217 0.000 0.900 214 L HN 0.208 nan 8.230 nan 0.000 0.435 215 V N 2.704 122.634 119.914 0.027 0.000 2.407 215 V HA 0.322 4.478 4.120 0.061 0.000 0.278 215 V C -2.165 173.927 176.094 -0.004 0.000 1.037 215 V CA -1.585 60.727 62.300 0.019 0.000 0.900 215 V CB 0.693 32.529 31.823 0.023 0.000 0.983 215 V HN 0.237 nan 8.190 nan 0.000 0.459 216 P HA 0.019 nan 4.420 nan 0.000 0.271 216 P C -0.349 176.967 177.300 0.028 0.000 1.220 216 P CA 0.089 63.191 63.100 0.003 0.000 0.768 216 P CB 0.686 32.388 31.700 0.002 0.000 0.848 217 Y N 2.338 122.579 120.300 -0.099 0.000 2.511 217 Y HA 0.017 4.602 4.550 0.060 0.000 0.279 217 Y C 0.652 176.513 175.900 -0.064 0.000 1.157 217 Y CA 0.435 58.481 58.100 -0.089 0.000 1.300 217 Y CB -0.290 38.092 38.460 -0.130 0.000 1.052 217 Y HN 0.221 nan 8.280 nan 0.000 0.529 218 T N 1.149 115.703 114.554 -0.000 0.000 2.765 218 T HA 0.230 4.616 4.350 0.061 0.000 0.275 218 T C 1.234 175.906 174.700 -0.047 0.000 1.007 218 T CA 1.449 63.549 62.100 -0.000 0.000 1.175 218 T CB -0.376 68.506 68.868 0.024 0.000 0.993 218 T HN 0.705 nan 8.240 nan 0.000 0.510 219 G N 1.792 110.590 108.800 -0.004 0.000 2.194 219 G HA2 -0.022 3.974 3.960 0.061 0.000 0.236 219 G HA3 -0.022 3.974 3.960 0.061 0.000 0.236 219 G C 0.183 175.038 174.900 -0.074 0.000 0.987 219 G CA -0.113 44.996 45.100 0.015 0.000 0.635 219 G HN 1.189 nan 8.290 nan 0.000 0.520 220 A N -0.199 122.429 122.820 -0.319 0.000 2.303 220 A HA 0.742 5.099 4.320 0.061 0.000 0.317 220 A C -0.234 177.192 177.584 -0.262 0.000 1.149 220 A CA -0.555 51.211 52.037 -0.452 0.000 0.822 220 A CB 0.729 19.021 19.000 -1.180 0.000 1.131 220 A HN 1.116 nan 8.150 nan 0.000 0.493 221 F N 3.206 123.049 119.950 -0.178 0.000 2.519 221 F HA 0.325 4.885 4.527 0.057 0.000 0.375 221 F C -1.942 173.860 175.800 0.003 0.000 1.084 221 F CA -1.496 56.426 58.000 -0.129 0.000 1.147 221 F CB 0.495 39.419 39.000 -0.126 0.000 1.088 221 F HN 0.296 nan 8.300 nan 0.000 0.555 222 P HA 0.111 nan 4.420 nan 0.000 0.268 222 P C 0.317 177.570 177.300 -0.077 0.000 1.205 222 P CA 0.309 63.306 63.100 -0.171 0.000 0.771 222 P CB 1.123 32.536 31.700 -0.478 0.000 0.858 223 I N -0.025 120.532 120.570 -0.021 0.000 3.393 223 I HA 0.189 4.395 4.170 0.061 0.000 0.250 223 I C 0.631 176.768 176.117 0.033 0.000 1.122 223 I CA 0.543 61.880 61.300 0.062 0.000 1.484 223 I CB 0.358 38.362 38.000 0.006 0.000 1.468 223 I HN 0.278 nan 8.210 nan 0.000 0.461 224 E N 1.145 121.326 120.200 -0.031 0.000 2.302 224 E HA 0.226 4.612 4.350 0.061 0.000 0.263 224 E C 0.109 176.675 176.600 -0.057 0.000 0.897 224 E CA -0.250 56.143 56.400 -0.011 0.000 0.809 224 E CB 2.012 31.715 29.700 0.004 0.000 1.270 224 E HN 0.069 nan 8.360 nan 0.000 0.410 225 R N 1.111 121.583 120.500 -0.046 0.000 2.133 225 R HA -0.215 4.161 4.340 0.061 0.000 0.245 225 R C 1.777 178.099 176.300 0.037 0.000 1.137 225 R CA 2.835 58.910 56.100 -0.042 0.000 0.947 225 R CB -0.195 30.109 30.300 0.007 0.000 0.865 225 R HN 0.549 nan 8.270 nan 0.000 0.437 226 T N -1.677 112.879 114.554 0.004 0.000 3.113 226 T HA -0.046 4.341 4.350 0.061 0.000 0.263 226 T C 1.554 176.031 174.700 -0.372 0.000 1.143 226 T CA 1.065 63.064 62.100 -0.169 0.000 1.090 226 T CB -0.323 68.457 68.868 -0.147 0.000 0.922 226 T HN 0.566 nan 8.240 nan 0.000 0.521 227 I N -3.044 117.464 120.570 -0.103 0.000 4.338 227 I HA 0.437 4.643 4.170 0.061 0.000 0.329 227 I C -0.968 175.236 176.117 0.146 0.000 1.378 227 I CA -0.769 60.549 61.300 0.030 0.000 1.170 227 I CB 0.327 38.406 38.000 0.132 0.000 1.206 227 I HN -0.168 nan 8.210 nan 0.000 0.432 228 D N 3.632 123.995 120.400 -0.062 0.000 2.383 228 D HA 0.286 4.963 4.640 0.061 0.000 0.252 228 D C -0.243 175.858 176.300 -0.331 0.000 1.166 228 D CA 0.743 54.515 54.000 -0.380 0.000 0.879 228 D CB 0.548 40.606 40.800 -1.236 0.000 1.164 228 D HN 0.387 nan 8.370 nan 0.000 0.462 229 H N 1.249 120.316 119.070 -0.006 0.000 2.851 229 H HA 0.467 5.059 4.556 0.060 0.000 0.372 229 H C -0.340 175.130 175.328 0.236 0.000 1.158 229 H CA -0.767 55.349 56.048 0.113 0.000 1.159 229 H CB 2.164 31.965 29.762 0.065 0.000 1.757 229 H HN 0.123 nan 8.280 nan 0.000 0.546 230 L N 1.103 122.507 121.223 0.301 0.000 2.354 230 L HA 0.702 5.078 4.340 0.061 0.000 0.269 230 L C 0.225 177.146 176.870 0.085 0.000 1.005 230 L CA -0.612 54.328 54.840 0.167 0.000 0.819 230 L CB 2.345 44.450 42.059 0.076 0.000 1.311 230 L HN 0.841 nan 8.230 nan 0.000 0.423 231 G N 1.862 110.686 108.800 0.039 0.000 2.559 231 G HA2 0.561 4.558 3.960 0.061 0.000 0.291 231 G HA3 0.561 4.558 3.960 0.061 0.000 0.291 231 G C -3.276 171.624 174.900 -0.001 0.000 1.424 231 G CA -0.634 44.471 45.100 0.009 0.000 0.786 231 G HN 0.262 nan 8.290 nan 0.000 0.485 232 P HA 0.573 nan 4.420 nan 0.000 0.286 232 P C -0.828 176.481 177.300 0.014 0.000 1.261 232 P CA -0.432 62.659 63.100 -0.015 0.000 0.821 232 P CB 2.055 33.714 31.700 -0.069 0.000 1.013 233 I N 2.413 123.004 120.570 0.036 0.000 2.410 233 I HA 0.368 4.574 4.170 0.061 0.000 0.286 233 I C 0.555 176.730 176.117 0.096 0.000 1.009 233 I CA -0.174 61.153 61.300 0.045 0.000 1.111 233 I CB 2.082 40.102 38.000 0.033 0.000 1.262 233 I HN 0.434 nan 8.210 nan 0.000 0.443 234 T N 1.357 115.965 114.554 0.090 0.000 2.778 234 T HA 0.427 4.814 4.350 0.061 0.000 0.293 234 T C 0.490 175.249 174.700 0.098 0.000 1.144 234 T CA -0.804 61.382 62.100 0.143 0.000 1.010 234 T CB 2.318 71.294 68.868 0.179 0.000 1.325 234 T HN 0.525 nan 8.240 nan 0.000 0.515 235 R N -0.078 120.488 120.500 0.110 0.000 2.161 235 R HA 0.200 4.576 4.340 0.061 0.000 0.213 235 R C 0.638 176.993 176.300 0.091 0.000 1.055 235 R CA 1.145 57.301 56.100 0.094 0.000 0.996 235 R CB -0.109 30.243 30.300 0.086 0.000 0.901 235 R HN 0.911 nan 8.270 nan 0.000 0.456 236 T N -4.872 109.743 114.554 0.102 0.000 2.883 236 T HA 0.241 4.627 4.350 0.061 0.000 0.296 236 T C 0.958 175.706 174.700 0.080 0.000 1.117 236 T CA -0.968 61.190 62.100 0.096 0.000 1.006 236 T CB 1.850 70.793 68.868 0.124 0.000 1.191 236 T HN -0.216 nan 8.240 nan 0.000 0.508 237 V N 0.815 120.771 119.914 0.069 0.000 2.358 237 V HA -0.116 4.040 4.120 0.061 0.000 0.246 237 V C 2.479 178.597 176.094 0.040 0.000 1.047 237 V CA 2.455 64.775 62.300 0.034 0.000 1.035 237 V CB -1.351 30.495 31.823 0.038 0.000 0.658 237 V HN 1.103 nan 8.190 nan 0.000 0.452 238 H N 0.740 119.820 119.070 0.017 0.000 2.352 238 H HA -0.188 4.405 4.556 0.061 0.000 0.299 238 H C 2.017 177.364 175.328 0.032 0.000 1.097 238 H CA 2.192 58.255 56.048 0.024 0.000 1.311 238 H CB -0.205 29.580 29.762 0.038 0.000 1.377 238 H HN 0.374 nan 8.280 nan 0.000 0.504 239 D N -0.068 120.344 120.400 0.020 0.000 2.178 239 D HA -0.094 4.582 4.640 0.061 0.000 0.201 239 D C 2.200 178.444 176.300 -0.093 0.000 0.980 239 D CA 1.209 55.218 54.000 0.015 0.000 0.842 239 D CB -0.524 40.421 40.800 0.241 0.000 0.948 239 D HN 0.576 nan 8.370 nan 0.000 0.472 240 A N 0.988 123.761 122.820 -0.078 0.000 1.898 240 A HA -0.012 4.344 4.320 0.061 0.000 0.216 240 A C 2.316 179.773 177.584 -0.212 0.000 1.181 240 A CA 2.040 53.999 52.037 -0.130 0.000 0.620 240 A CB -0.666 18.267 19.000 -0.111 0.000 0.819 240 A HN 0.226 nan 8.150 nan 0.000 0.442 241 A N -0.550 122.143 122.820 -0.213 0.000 1.902 241 A HA -0.020 4.336 4.320 0.061 0.000 0.217 241 A C 2.134 179.624 177.584 -0.157 0.000 1.181 241 A CA 1.723 53.646 52.037 -0.190 0.000 0.623 241 A CB -0.613 18.322 19.000 -0.107 0.000 0.818 241 A HN 0.643 nan 8.150 nan 0.000 0.443 242 L N -0.701 120.369 121.223 -0.255 0.000 2.017 242 L HA -0.117 4.259 4.340 0.061 0.000 0.208 242 L C 2.523 179.276 176.870 -0.194 0.000 1.073 242 L CA 2.602 57.308 54.840 -0.223 0.000 0.745 242 L CB -0.480 41.403 42.059 -0.294 0.000 0.894 242 L HN 0.538 nan 8.230 nan 0.000 0.432 243 M N -1.676 117.753 119.600 -0.285 0.000 2.159 243 M HA -0.199 4.318 4.480 0.061 0.000 0.263 243 M C 2.063 178.250 176.300 -0.189 0.000 1.063 243 M CA 1.752 56.851 55.300 -0.335 0.000 1.110 243 M CB -0.156 32.165 32.600 -0.464 0.000 1.374 243 M HN 0.375 nan 8.290 nan 0.000 0.411 244 L N 0.270 121.391 121.223 -0.170 0.000 2.141 244 L HA -0.125 4.251 4.340 0.061 0.000 0.209 244 L C 2.543 179.425 176.870 0.019 0.000 1.094 244 L CA 2.119 56.870 54.840 -0.148 0.000 0.763 244 L CB -0.622 41.216 42.059 -0.368 0.000 0.908 244 L HN 0.556 nan 8.230 nan 0.000 0.437 245 S N -2.566 113.194 115.700 0.101 0.000 2.447 245 S HA -0.082 4.424 4.470 0.061 0.000 0.233 245 S C 1.743 176.386 174.600 0.072 0.000 1.006 245 S CA 1.097 59.408 58.200 0.186 0.000 0.957 245 S CB -0.658 62.611 63.200 0.115 0.000 0.773 245 S HN 0.228 nan 8.310 nan 0.000 0.507 246 V N 2.305 122.222 119.914 0.004 0.000 2.685 246 V HA 0.152 4.309 4.120 0.061 0.000 0.244 246 V C 2.276 178.367 176.094 -0.006 0.000 1.054 246 V CA 1.235 63.527 62.300 -0.014 0.000 1.076 246 V CB -0.419 31.371 31.823 -0.056 0.000 0.725 246 V HN 0.739 nan 8.190 nan 0.000 0.467 247 I N -1.063 119.497 120.570 -0.016 0.000 3.427 247 I HA 0.411 4.618 4.170 0.061 0.000 0.288 247 I C 1.224 177.354 176.117 0.022 0.000 1.249 247 I CA 0.155 61.450 61.300 -0.008 0.000 1.421 247 I CB -0.261 37.720 38.000 -0.031 0.000 1.086 247 I HN 0.092 nan 8.210 nan 0.000 0.448 248 A N 1.755 124.610 122.820 0.058 0.000 2.425 248 A HA 0.595 4.951 4.320 0.061 0.000 0.242 248 A C 0.648 178.285 177.584 0.088 0.000 1.077 248 A CA 0.607 52.704 52.037 0.101 0.000 0.781 248 A CB -0.481 18.649 19.000 0.217 0.000 1.020 248 A HN 0.915 nan 8.150 nan 0.000 0.494 249 G N 0.712 109.561 108.800 0.082 0.000 2.528 249 G HA2 0.106 4.102 3.960 0.061 0.000 0.681 249 G HA3 0.106 4.102 3.960 0.061 0.000 0.681 249 G C -0.610 174.307 174.900 0.028 0.000 1.340 249 G CA -0.830 44.300 45.100 0.051 0.000 0.855 249 G HN 0.933 nan 8.290 nan 0.000 0.649 250 R N 0.521 121.030 120.500 0.015 0.000 2.679 250 R HA 0.320 4.696 4.340 0.061 0.000 0.268 250 R C 0.754 177.059 176.300 0.008 0.000 1.044 250 R CA 0.685 56.788 56.100 0.006 0.000 1.105 250 R CB 0.524 30.822 30.300 -0.003 0.000 0.989 250 R HN 0.732 nan 8.270 nan 0.000 0.447 251 D N 0.398 120.803 120.400 0.008 0.000 2.500 251 D HA 0.080 4.757 4.640 0.061 0.000 0.217 251 D C 1.028 177.337 176.300 0.015 0.000 1.159 251 D CA 0.362 54.369 54.000 0.012 0.000 0.828 251 D CB 0.560 41.368 40.800 0.013 0.000 1.039 251 D HN 0.720 nan 8.370 nan 0.000 0.512 252 G N 0.862 109.671 108.800 0.015 0.000 2.189 252 G HA2 -0.374 3.623 3.960 0.061 0.000 0.267 252 G HA3 -0.374 3.623 3.960 0.061 0.000 0.267 252 G C 0.705 175.623 174.900 0.031 0.000 0.975 252 G CA 0.587 45.699 45.100 0.020 0.000 0.644 252 G HN 0.508 nan 8.290 nan 0.000 0.537 253 N N -0.455 118.265 118.700 0.033 0.000 2.181 253 N HA 0.198 4.974 4.740 0.061 0.000 0.207 253 N C -0.402 175.135 175.510 0.046 0.000 1.182 253 N CA 0.003 53.082 53.050 0.048 0.000 0.893 253 N CB 0.686 39.204 38.487 0.052 0.000 1.032 253 N HN 0.246 nan 8.380 nan 0.000 0.513 254 D N 1.282 121.698 120.400 0.027 0.000 2.414 254 D HA 0.157 4.833 4.640 0.061 0.000 0.232 254 D C -1.677 174.625 176.300 0.002 0.000 1.070 254 D CA -2.452 51.555 54.000 0.011 0.000 0.839 254 D CB 1.677 42.475 40.800 -0.004 0.000 1.079 254 D HN -0.010 nan 8.370 nan 0.000 0.521 255 P HA -0.093 nan 4.420 nan 0.000 0.228 255 P C 0.853 178.165 177.300 0.021 0.000 1.151 255 P CA 0.508 63.627 63.100 0.031 0.000 0.770 255 P CB 0.482 32.214 31.700 0.053 0.000 0.786 256 R N -0.432 120.045 120.500 -0.039 0.000 2.193 256 R HA 0.044 4.420 4.340 0.061 0.000 0.213 256 R C 1.167 177.369 176.300 -0.164 0.000 1.055 256 R CA 0.477 56.505 56.100 -0.120 0.000 0.995 256 R CB -0.241 29.807 30.300 -0.421 0.000 0.893 256 R HN 0.421 nan 8.270 nan 0.000 0.459 257 Q N 1.093 120.830 119.800 -0.104 0.000 2.307 257 Q HA 0.325 4.701 4.340 0.061 0.000 0.259 257 Q C -0.578 175.427 176.000 0.008 0.000 0.998 257 Q CA -0.506 55.266 55.803 -0.052 0.000 0.923 257 Q CB 1.610 30.325 28.738 -0.039 0.000 1.196 257 Q HN 0.185 nan 8.270 nan 0.000 0.416 258 A N 2.715 125.563 122.820 0.046 0.000 2.406 258 A HA -0.003 4.354 4.320 0.061 0.000 0.243 258 A C 0.412 177.998 177.584 0.003 0.000 1.082 258 A CA -0.328 51.735 52.037 0.044 0.000 0.786 258 A CB 0.329 19.375 19.000 0.076 0.000 1.029 258 A HN 0.766 nan 8.150 nan 0.000 0.495 259 D N 0.288 120.687 120.400 -0.001 0.000 2.182 259 D HA -0.133 4.543 4.640 0.061 0.000 0.201 259 D C 2.129 178.403 176.300 -0.044 0.000 0.986 259 D CA 2.181 56.171 54.000 -0.016 0.000 0.847 259 D CB 0.012 40.807 40.800 -0.008 0.000 0.942 259 D HN 0.598 nan 8.370 nan 0.000 0.467 260 S N -0.789 114.872 115.700 -0.066 0.000 2.558 260 S HA 0.054 4.560 4.470 0.061 0.000 0.217 260 S C 0.829 175.303 174.600 -0.209 0.000 0.975 260 S CA -0.378 57.752 58.200 -0.117 0.000 0.912 260 S CB -0.072 63.058 63.200 -0.116 0.000 0.776 260 S HN -0.081 nan 8.310 nan 0.000 0.526 261 V N 2.676 122.472 119.914 -0.198 0.000 2.599 261 V HA 0.200 4.357 4.120 0.061 0.000 0.300 261 V C 0.181 176.174 176.094 -0.168 0.000 1.034 261 V CA 0.532 62.673 62.300 -0.264 0.000 1.115 261 V CB 0.161 31.937 31.823 -0.079 0.000 0.934 261 V HN 0.510 nan 8.190 nan 0.000 0.485 262 E N 2.476 122.563 120.200 -0.188 0.000 2.331 262 E HA 0.632 5.018 4.350 0.061 0.000 0.275 262 E C -0.699 175.891 176.600 -0.017 0.000 0.895 262 E CA -0.880 55.467 56.400 -0.088 0.000 0.753 262 E CB 2.147 31.784 29.700 -0.105 0.000 1.216 262 E HN 0.776 nan 8.360 nan 0.000 0.434 263 A N 1.802 124.636 122.820 0.022 0.000 2.440 263 A HA 0.564 4.921 4.320 0.061 0.000 0.251 263 A C 0.546 178.083 177.584 -0.077 0.000 1.089 263 A CA 0.475 52.562 52.037 0.083 0.000 0.779 263 A CB 0.431 19.480 19.000 0.080 0.000 1.022 263 A HN 0.635 nan 8.150 nan 0.000 0.492 264 G N 0.024 108.696 108.800 -0.214 0.000 2.509 264 G HA2 0.437 4.433 3.960 0.061 0.000 0.269 264 G HA3 0.437 4.433 3.960 0.061 0.000 0.269 264 G C -0.736 173.639 174.900 -0.875 0.000 1.416 264 G CA -0.140 44.678 45.100 -0.470 0.000 1.052 264 G HN 0.664 nan 8.290 nan 0.000 0.542 265 D N -0.697 119.296 120.400 -0.679 0.000 2.460 265 D HA 0.270 4.947 4.640 0.061 0.000 0.232 265 D C -0.258 175.787 176.300 -0.425 0.000 1.079 265 D CA -0.534 53.176 54.000 -0.483 0.000 0.864 265 D CB 0.703 41.376 40.800 -0.211 0.000 1.048 265 D HN 0.357 nan 8.370 nan 0.000 0.523 266 Y N 2.134 122.425 120.300 -0.014 0.000 2.466 266 Y HA 0.194 4.781 4.550 0.061 0.000 0.272 266 Y C 1.724 177.607 175.900 -0.028 0.000 1.169 266 Y CA -0.130 57.951 58.100 -0.032 0.000 1.285 266 Y CB 0.677 39.100 38.460 -0.063 0.000 1.078 266 Y HN 0.271 nan 8.280 nan 0.000 0.523 267 L N -2.114 119.147 121.223 0.064 0.000 2.526 267 L HA 0.020 4.396 4.340 0.061 0.000 0.210 267 L C 2.222 179.127 176.870 0.058 0.000 1.048 267 L CA 0.239 55.121 54.840 0.070 0.000 0.852 267 L CB -0.329 41.766 42.059 0.060 0.000 1.128 267 L HN -0.040 nan 8.230 nan 0.000 0.482 268 S N 0.201 115.914 115.700 0.022 0.000 2.378 268 S HA -0.235 4.271 4.470 0.061 0.000 0.229 268 S C 1.707 176.323 174.600 0.026 0.000 1.052 268 S CA 2.397 60.607 58.200 0.016 0.000 1.084 268 S CB -0.446 62.750 63.200 -0.007 0.000 0.950 268 S HN 0.634 nan 8.310 nan 0.000 0.440 269 T N -0.768 113.802 114.554 0.027 0.000 3.176 269 T HA 0.343 4.729 4.350 0.061 0.000 0.263 269 T C 1.244 175.971 174.700 0.045 0.000 1.021 269 T CA -0.221 61.898 62.100 0.032 0.000 0.905 269 T CB 0.017 68.901 68.868 0.026 0.000 1.057 269 T HN 0.110 nan 8.240 nan 0.000 0.558 270 L N 1.692 122.951 121.223 0.060 0.000 2.042 270 L HA 0.034 4.410 4.340 0.061 0.000 0.210 270 L C 1.174 178.081 176.870 0.062 0.000 1.076 270 L CA 1.892 56.776 54.840 0.072 0.000 0.749 270 L CB -0.369 41.755 42.059 0.109 0.000 0.893 270 L HN 0.239 nan 8.230 nan 0.000 0.432 271 D N -0.568 119.864 120.400 0.054 0.000 2.427 271 D HA 0.126 4.802 4.640 0.061 0.000 0.224 271 D C 0.271 176.590 176.300 0.030 0.000 1.157 271 D CA 0.073 54.096 54.000 0.039 0.000 0.828 271 D CB 0.284 41.100 40.800 0.027 0.000 0.974 271 D HN 0.263 nan 8.370 nan 0.000 0.498 272 S N 1.479 117.198 115.700 0.032 0.000 2.603 272 S HA 0.085 4.591 4.470 0.061 0.000 0.268 272 S C 0.201 174.818 174.600 0.028 0.000 1.317 272 S CA -0.787 57.429 58.200 0.027 0.000 1.012 272 S CB 1.132 64.348 63.200 0.027 0.000 0.926 272 S HN 0.266 nan 8.310 nan 0.000 0.539 273 D N 0.356 120.771 120.400 0.025 0.000 2.414 273 D HA 0.027 4.703 4.640 0.061 0.000 0.242 273 D C 0.880 177.198 176.300 0.030 0.000 1.129 273 D CA -0.576 53.440 54.000 0.026 0.000 0.885 273 D CB 0.506 41.320 40.800 0.022 0.000 1.198 273 D HN 0.258 nan 8.370 nan 0.000 0.437 274 V N -2.391 117.544 119.914 0.035 0.000 3.342 274 V HA 0.145 4.302 4.120 0.061 0.000 0.322 274 V C 0.073 176.190 176.094 0.038 0.000 1.370 274 V CA -0.681 61.642 62.300 0.039 0.000 1.170 274 V CB -0.671 31.180 31.823 0.046 0.000 1.101 274 V HN 0.363 nan 8.190 nan 0.000 0.442 275 D N 2.484 122.903 120.400 0.032 0.000 2.493 275 D HA 0.322 4.998 4.640 0.061 0.000 0.240 275 D C 1.421 177.738 176.300 0.028 0.000 1.142 275 D CA 1.867 55.885 54.000 0.030 0.000 0.872 275 D CB 1.294 42.108 40.800 0.025 0.000 1.173 275 D HN 0.611 nan 8.370 nan 0.000 0.467 276 G N 2.158 110.975 108.800 0.029 0.000 2.217 276 G HA2 -0.274 3.722 3.960 0.061 0.000 0.246 276 G HA3 -0.274 3.722 3.960 0.061 0.000 0.246 276 G C 0.495 175.413 174.900 0.029 0.000 0.990 276 G CA -0.333 44.782 45.100 0.025 0.000 0.627 276 G HN 0.488 nan 8.290 nan 0.000 0.522 277 L N 1.229 122.475 121.223 0.038 0.000 2.453 277 L HA 0.344 4.720 4.340 0.061 0.000 0.272 277 L C 1.065 177.974 176.870 0.065 0.000 1.182 277 L CA -0.244 54.625 54.840 0.047 0.000 0.858 277 L CB 0.506 42.595 42.059 0.049 0.000 1.120 277 L HN 0.185 nan 8.230 nan 0.000 0.474 278 R N 4.648 125.195 120.500 0.080 0.000 2.221 278 R HA 0.514 4.891 4.340 0.061 0.000 0.327 278 R C -0.761 175.702 176.300 0.272 0.000 1.033 278 R CA -0.370 55.817 56.100 0.145 0.000 0.887 278 R CB 1.003 31.319 30.300 0.028 0.000 1.057 278 R HN 0.506 nan 8.270 nan 0.000 0.455 279 I N 1.837 122.569 120.570 0.270 0.000 2.362 279 I HA 0.290 4.497 4.170 0.061 0.000 0.289 279 I C 0.570 176.682 176.117 -0.008 0.000 0.994 279 I CA -0.560 60.816 61.300 0.128 0.000 1.158 279 I CB 2.041 40.051 38.000 0.017 0.000 1.315 279 I HN 0.666 nan 8.210 nan 0.000 0.451 280 G N 7.337 115.894 108.800 -0.405 0.000 2.335 280 G HA2 0.603 4.600 3.960 0.061 0.000 0.314 280 G HA3 0.603 4.600 3.960 0.061 0.000 0.314 280 G C -0.419 174.157 174.900 -0.540 0.000 1.129 280 G CA -0.458 43.983 45.100 -1.099 0.000 0.912 280 G HN 0.532 nan 8.290 nan 0.000 0.443 281 I N 2.973 123.296 120.570 -0.412 0.000 2.308 281 I HA 0.049 4.255 4.170 0.061 0.000 0.293 281 I C 0.176 176.196 176.117 -0.163 0.000 1.078 281 I CA -0.530 60.629 61.300 -0.234 0.000 1.292 281 I CB 1.483 39.313 38.000 -0.283 0.000 1.423 281 I HN 0.038 nan 8.210 nan 0.000 0.493 282 V N 8.322 128.192 119.914 -0.073 0.000 2.403 282 V HA 0.057 4.213 4.120 0.061 0.000 0.265 282 V C 1.642 177.795 176.094 0.098 0.000 1.034 282 V CA 0.046 62.319 62.300 -0.046 0.000 1.036 282 V CB -0.064 31.686 31.823 -0.123 0.000 1.032 282 V HN 0.765 nan 8.190 nan 0.000 0.478 283 R N 2.977 123.504 120.500 0.045 0.000 2.096 283 R HA -0.212 4.164 4.340 0.061 0.000 0.240 283 R C 1.712 178.126 176.300 0.190 0.000 1.139 283 R CA 1.789 57.941 56.100 0.087 0.000 0.952 283 R CB -0.016 30.297 30.300 0.021 0.000 0.854 283 R HN 0.663 nan 8.270 nan 0.000 0.436 284 E N -0.442 119.840 120.200 0.137 0.000 2.463 284 E HA -0.084 4.302 4.350 0.061 0.000 0.201 284 E C 1.590 178.380 176.600 0.318 0.000 1.045 284 E CA 0.949 57.472 56.400 0.206 0.000 0.872 284 E CB -0.140 29.679 29.700 0.198 0.000 0.797 284 E HN 0.495 nan 8.360 nan 0.000 0.538 285 G N -0.917 107.968 108.800 0.142 0.000 2.880 285 G HA2 0.064 4.060 3.960 0.061 0.000 0.209 285 G HA3 0.064 4.060 3.960 0.061 0.000 0.209 285 G C -0.032 174.570 174.900 -0.496 0.000 1.157 285 G CA -0.063 44.958 45.100 -0.132 0.000 0.779 285 G HN 0.026 nan 8.290 nan 0.000 0.539 286 F N -1.603 118.248 119.950 -0.164 0.000 2.618 286 F HA 0.598 5.162 4.527 0.061 0.000 0.332 286 F C 1.125 176.867 175.800 -0.097 0.000 1.061 286 F CA -0.817 57.060 58.000 -0.206 0.000 0.974 286 F CB 1.423 40.350 39.000 -0.122 0.000 1.310 286 F HN 0.039 nan 8.300 nan 0.000 0.491 287 G N 0.710 109.579 108.800 0.115 0.000 2.273 287 G HA2 -0.270 3.726 3.960 0.061 0.000 0.280 287 G HA3 -0.270 3.726 3.960 0.061 0.000 0.280 287 G C -0.197 174.814 174.900 0.185 0.000 1.047 287 G CA -0.103 45.070 45.100 0.122 0.000 0.869 287 G HN 0.855 nan 8.290 nan 0.000 0.502 288 H N -0.908 118.174 119.070 0.020 0.000 2.679 288 H HA 0.414 5.006 4.556 0.061 0.000 0.369 288 H C 1.830 177.164 175.328 0.010 0.000 1.178 288 H CA -0.309 55.736 56.048 -0.005 0.000 1.419 288 H CB 1.062 30.794 29.762 -0.050 0.000 1.458 288 H HN 0.286 nan 8.280 nan 0.000 0.605 289 A N 2.776 125.669 122.820 0.122 0.000 1.908 289 A HA -0.099 4.258 4.320 0.061 0.000 0.218 289 A C 1.018 178.652 177.584 0.083 0.000 1.181 289 A CA 1.076 53.159 52.037 0.076 0.000 0.627 289 A CB -0.163 18.864 19.000 0.045 0.000 0.818 289 A HN 0.360 nan 8.150 nan 0.000 0.445 290 V N 1.550 121.526 119.914 0.102 0.000 2.288 290 V HA 0.524 4.680 4.120 0.061 0.000 0.266 290 V C -0.091 176.103 176.094 0.166 0.000 1.048 290 V CA 0.489 62.857 62.300 0.112 0.000 0.842 290 V CB -0.394 31.495 31.823 0.111 0.000 1.064 290 V HN 0.732 nan 8.190 nan 0.000 0.472 291 S N 3.757 119.542 115.700 0.142 0.000 2.645 291 S HA 0.476 4.982 4.470 0.061 0.000 0.268 291 S C -1.499 173.167 174.600 0.111 0.000 1.110 291 S CA -1.109 57.187 58.200 0.158 0.000 0.823 291 S CB 1.708 64.948 63.200 0.067 0.000 1.091 291 S HN 0.448 nan 8.310 nan 0.000 0.466 292 Q N 1.546 121.415 119.800 0.115 0.000 2.394 292 Q HA 0.374 4.751 4.340 0.061 0.000 0.259 292 Q C -1.872 174.161 176.000 0.055 0.000 1.021 292 Q CA -2.433 53.418 55.803 0.080 0.000 0.805 292 Q CB 1.757 30.556 28.738 0.103 0.000 1.226 292 Q HN 0.529 nan 8.270 nan 0.000 0.476 293 P HA -0.247 nan 4.420 nan 0.000 0.220 293 P C 0.388 177.716 177.300 0.047 0.000 1.144 293 P CA 1.345 64.473 63.100 0.047 0.000 0.800 293 P CB 0.514 32.239 31.700 0.041 0.000 0.772 294 E N -0.297 119.928 120.200 0.041 0.000 2.072 294 E HA -0.089 4.298 4.350 0.061 0.000 0.191 294 E C 2.159 178.784 176.600 0.040 0.000 0.985 294 E CA 0.923 57.346 56.400 0.038 0.000 0.801 294 E CB -0.368 29.352 29.700 0.034 0.000 0.750 294 E HN 0.084 nan 8.360 nan 0.000 0.452 295 V N 2.079 122.014 119.914 0.035 0.000 2.295 295 V HA -0.265 3.892 4.120 0.061 0.000 0.246 295 V C 1.857 177.961 176.094 0.017 0.000 1.049 295 V CA 1.945 64.253 62.300 0.014 0.000 1.024 295 V CB -0.438 31.383 31.823 -0.004 0.000 0.648 295 V HN 0.223 nan 8.190 nan 0.000 0.447 296 D N -0.044 120.379 120.400 0.039 0.000 2.123 296 D HA -0.172 4.505 4.640 0.061 0.000 0.196 296 D C 1.908 178.337 176.300 0.216 0.000 0.992 296 D CA 1.544 55.632 54.000 0.146 0.000 0.833 296 D CB -0.261 40.655 40.800 0.194 0.000 0.954 296 D HN 0.466 nan 8.370 nan 0.000 0.455 297 D N 0.731 121.200 120.400 0.114 0.000 2.117 297 D HA -0.085 4.591 4.640 0.061 0.000 0.198 297 D C 2.093 178.441 176.300 0.081 0.000 0.982 297 D CA 1.009 55.057 54.000 0.079 0.000 0.828 297 D CB -0.218 40.612 40.800 0.050 0.000 0.967 297 D HN 0.099 nan 8.370 nan 0.000 0.464 298 A N 0.999 123.861 122.820 0.071 0.000 1.865 298 A HA -0.176 4.181 4.320 0.061 0.000 0.217 298 A C 2.597 180.227 177.584 0.077 0.000 1.191 298 A CA 1.625 53.703 52.037 0.069 0.000 0.623 298 A CB -0.942 18.090 19.000 0.054 0.000 0.826 298 A HN 0.143 nan 8.150 nan 0.000 0.444 299 V N -0.085 119.871 119.914 0.069 0.000 2.343 299 V HA -0.272 3.884 4.120 0.061 0.000 0.247 299 V C 2.657 178.805 176.094 0.091 0.000 1.051 299 V CA 2.382 64.709 62.300 0.045 0.000 1.036 299 V CB -0.853 30.961 31.823 -0.015 0.000 0.654 299 V HN 0.656 nan 8.190 nan 0.000 0.451 300 R N 0.131 120.736 120.500 0.175 0.000 2.073 300 R HA -0.174 4.202 4.340 0.061 0.000 0.234 300 R C 2.324 178.640 176.300 0.026 0.000 1.134 300 R CA 1.732 57.844 56.100 0.020 0.000 0.952 300 R CB -0.496 29.751 30.300 -0.088 0.000 0.850 300 R HN 0.491 nan 8.270 nan 0.000 0.433 301 A N 0.606 123.482 122.820 0.093 0.000 1.877 301 A HA -0.122 4.234 4.320 0.061 0.000 0.216 301 A C 2.367 180.027 177.584 0.126 0.000 1.186 301 A CA 1.739 53.854 52.037 0.131 0.000 0.620 301 A CB -0.909 18.151 19.000 0.099 0.000 0.822 301 A HN 0.544 nan 8.150 nan 0.000 0.443 302 A N -0.126 122.759 122.820 0.108 0.000 1.908 302 A HA 0.103 4.460 4.320 0.061 0.000 0.218 302 A C 2.513 180.129 177.584 0.053 0.000 1.181 302 A CA 2.294 54.428 52.037 0.162 0.000 0.627 302 A CB -1.048 18.041 19.000 0.150 0.000 0.818 302 A HN 1.104 nan 8.150 nan 0.000 0.445 303 A N -0.931 121.833 122.820 -0.094 0.000 1.902 303 A HA -0.177 4.179 4.320 0.061 0.000 0.217 303 A C 1.928 179.434 177.584 -0.130 0.000 1.181 303 A CA 1.819 53.743 52.037 -0.189 0.000 0.623 303 A CB -0.920 17.916 19.000 -0.273 0.000 0.818 303 A HN 0.729 nan 8.150 nan 0.000 0.443 304 H N 0.060 119.127 119.070 -0.005 0.000 2.423 304 H HA -0.068 4.525 4.556 0.061 0.000 0.297 304 H C 2.526 177.876 175.328 0.036 0.000 1.075 304 H CA 1.336 57.386 56.048 0.004 0.000 1.342 304 H CB 0.079 29.834 29.762 -0.012 0.000 1.395 304 H HN 0.678 nan 8.280 nan 0.000 0.530 305 S N 0.601 116.407 115.700 0.177 0.000 2.500 305 S HA -0.114 4.393 4.470 0.061 0.000 0.239 305 S C 1.774 176.456 174.600 0.138 0.000 0.989 305 S CA 0.643 58.932 58.200 0.149 0.000 0.951 305 S CB -0.464 62.834 63.200 0.163 0.000 0.759 305 S HN 0.377 nan 8.310 nan 0.000 0.523 306 L N 1.953 123.257 121.223 0.135 0.000 2.465 306 L HA -0.026 4.350 4.340 0.061 0.000 0.224 306 L C 2.764 179.688 176.870 0.091 0.000 1.145 306 L CA 1.232 56.143 54.840 0.119 0.000 0.834 306 L CB -0.972 41.141 42.059 0.091 0.000 0.944 306 L HN 0.573 nan 8.230 nan 0.000 0.451 307 T N -4.013 110.596 114.554 0.092 0.000 2.995 307 T HA -0.131 4.255 4.350 0.061 0.000 0.269 307 T C 1.465 176.201 174.700 0.060 0.000 1.091 307 T CA 0.663 62.808 62.100 0.075 0.000 1.128 307 T CB -0.172 68.742 68.868 0.077 0.000 0.891 307 T HN 0.388 nan 8.240 nan 0.000 0.492 308 E N 1.341 121.578 120.200 0.063 0.000 2.338 308 E HA 0.011 4.398 4.350 0.061 0.000 0.197 308 E C 1.655 178.281 176.600 0.042 0.000 1.007 308 E CA 0.923 57.351 56.400 0.048 0.000 0.849 308 E CB -0.304 29.425 29.700 0.048 0.000 0.774 308 E HN 0.811 nan 8.360 nan 0.000 0.506 309 I N -4.422 116.178 120.570 0.050 0.000 3.927 309 I HA 0.452 4.659 4.170 0.061 0.000 0.332 309 I C 0.907 177.049 176.117 0.042 0.000 1.485 309 I CA 0.087 61.413 61.300 0.044 0.000 1.131 309 I CB 0.533 38.563 38.000 0.050 0.000 1.092 309 I HN 0.042 nan 8.210 nan 0.000 0.410 310 G N 1.139 109.964 108.800 0.042 0.000 2.141 310 G HA2 -0.216 3.780 3.960 0.061 0.000 0.231 310 G HA3 -0.216 3.780 3.960 0.061 0.000 0.231 310 G C 0.137 175.063 174.900 0.043 0.000 0.984 310 G CA -0.086 45.037 45.100 0.038 0.000 0.660 310 G HN 0.497 nan 8.290 nan 0.000 0.525 311 C N 1.035 120.366 119.300 0.053 0.000 2.405 311 C HA 0.710 5.206 4.460 0.061 0.000 0.365 311 C C 0.986 176.016 174.990 0.067 0.000 1.233 311 C CA -0.073 58.980 59.018 0.059 0.000 2.230 311 C CB 1.067 28.845 27.740 0.063 0.000 2.443 311 C HN 0.474 nan 8.230 nan 0.000 0.556 312 T N 2.594 117.193 114.554 0.074 0.000 2.733 312 T HA 0.410 4.797 4.350 0.061 0.000 0.294 312 T C -0.268 174.509 174.700 0.129 0.000 0.956 312 T CA -0.115 62.037 62.100 0.087 0.000 0.987 312 T CB 0.477 69.386 68.868 0.069 0.000 0.920 312 T HN 0.456 nan 8.240 nan 0.000 0.470 313 V N 4.990 124.981 119.914 0.129 0.000 2.357 313 V HA 0.469 4.625 4.120 0.061 0.000 0.284 313 V C 0.010 176.198 176.094 0.157 0.000 1.018 313 V CA -0.711 61.664 62.300 0.125 0.000 0.841 313 V CB 1.313 33.194 31.823 0.097 0.000 0.991 313 V HN 0.847 nan 8.190 nan 0.000 0.437 314 E N 2.874 123.178 120.200 0.173 0.000 2.367 314 E HA 0.509 4.895 4.350 0.061 0.000 0.273 314 E C -1.113 175.487 176.600 0.001 0.000 0.903 314 E CA -0.923 55.583 56.400 0.177 0.000 0.764 314 E CB 2.776 32.688 29.700 0.352 0.000 1.252 314 E HN 0.651 nan 8.360 nan 0.000 0.446 315 E N 0.837 121.041 120.200 0.007 0.000 2.313 315 E HA 0.414 4.800 4.350 0.061 0.000 0.272 315 E C -1.087 175.479 176.600 -0.056 0.000 1.038 315 E CA -0.491 55.858 56.400 -0.084 0.000 0.863 315 E CB 2.156 31.823 29.700 -0.056 0.000 1.060 315 E HN 0.077 nan 8.360 nan 0.000 0.402 316 V N 2.880 122.718 119.914 -0.126 0.000 2.925 316 V HA 0.308 4.464 4.120 0.061 0.000 0.311 316 V C -1.465 174.617 176.094 -0.021 0.000 1.104 316 V CA -0.824 61.447 62.300 -0.049 0.000 0.954 316 V CB 2.243 33.979 31.823 -0.145 0.000 1.022 316 V HN 0.634 nan 8.190 nan 0.000 0.427 317 N N 5.606 124.324 118.700 0.030 0.000 2.438 317 N HA 0.568 5.344 4.740 0.061 0.000 0.282 317 N C -0.875 174.663 175.510 0.047 0.000 1.037 317 N CA -0.133 52.937 53.050 0.034 0.000 0.942 317 N CB 1.987 40.499 38.487 0.041 0.000 1.136 317 N HN 0.618 nan 8.380 nan 0.000 0.481 318 I N 3.006 123.602 120.570 0.044 0.000 2.796 318 I HA 0.190 4.397 4.170 0.061 0.000 0.279 318 I C -1.838 174.305 176.117 0.044 0.000 1.289 318 I CA -1.627 59.704 61.300 0.051 0.000 1.021 318 I CB 2.009 40.036 38.000 0.045 0.000 1.414 318 I HN 0.148 nan 8.210 nan 0.000 0.562 319 P HA -0.170 nan 4.420 nan 0.000 0.217 319 P C 1.165 178.259 177.300 -0.342 0.000 1.151 319 P CA 1.675 64.695 63.100 -0.135 0.000 0.849 319 P CB 0.113 31.760 31.700 -0.088 0.000 0.787 320 W N -1.717 119.447 121.300 -0.226 0.000 2.538 320 W HA -0.135 4.560 4.660 0.058 0.000 0.254 320 W C 2.443 178.832 176.519 -0.218 0.000 1.249 320 W CA 1.147 58.370 57.345 -0.203 0.000 1.253 320 W CB -1.126 28.244 29.460 -0.151 0.000 1.130 320 W HN 0.210 nan 8.180 nan 0.000 0.618 321 H N -0.302 118.693 119.070 -0.125 0.000 2.387 321 H HA -0.138 4.455 4.556 0.061 0.000 0.299 321 H C 1.950 177.236 175.328 -0.070 0.000 1.090 321 H CA 2.091 58.112 56.048 -0.045 0.000 1.332 321 H CB -0.258 29.529 29.762 0.041 0.000 1.386 321 H HN 0.102 nan 8.280 nan 0.000 0.516 322 L N -0.762 120.316 121.223 -0.241 0.000 2.072 322 L HA -0.133 4.244 4.340 0.061 0.000 0.205 322 L C 2.460 179.267 176.870 -0.105 0.000 1.079 322 L CA 0.955 55.636 54.840 -0.265 0.000 0.752 322 L CB -0.495 41.419 42.059 -0.243 0.000 0.906 322 L HN 0.427 nan 8.230 nan 0.000 0.436 323 H N 0.169 119.175 119.070 -0.107 0.000 2.387 323 H HA -0.046 4.547 4.556 0.060 0.000 0.299 323 H C 2.315 177.655 175.328 0.020 0.000 1.090 323 H CA 1.163 57.153 56.048 -0.097 0.000 1.332 323 H CB -0.391 29.065 29.762 -0.510 0.000 1.386 323 H HN 0.317 nan 8.280 nan 0.000 0.516 324 A N 1.079 123.992 122.820 0.156 0.000 1.978 324 A HA -0.193 4.163 4.320 0.061 0.000 0.220 324 A C 2.258 179.908 177.584 0.110 0.000 1.170 324 A CA 1.337 53.471 52.037 0.162 0.000 0.636 324 A CB -1.000 18.084 19.000 0.140 0.000 0.810 324 A HN 0.347 nan 8.150 nan 0.000 0.448 325 F N 0.529 120.379 119.950 -0.165 0.000 2.102 325 F HA -0.179 4.386 4.527 0.064 0.000 0.298 325 F C 2.391 178.144 175.800 -0.079 0.000 1.105 325 F CA 2.024 59.892 58.000 -0.220 0.000 1.239 325 F CB -0.480 38.247 39.000 -0.455 0.000 0.991 325 F HN 0.390 nan 8.300 nan 0.000 0.474 326 H N 0.164 119.162 119.070 -0.120 0.000 2.389 326 H HA -0.053 4.538 4.556 0.059 0.000 0.299 326 H C 2.564 177.823 175.328 -0.116 0.000 1.081 326 H CA 1.897 57.824 56.048 -0.202 0.000 1.345 326 H CB -0.553 29.168 29.762 -0.070 0.000 1.393 326 H HN 0.340 nan 8.280 nan 0.000 0.520 327 I N -0.272 120.345 120.570 0.079 0.000 2.179 327 I HA -0.291 3.915 4.170 0.061 0.000 0.242 327 I C 2.665 178.786 176.117 0.006 0.000 1.088 327 I CA 1.263 62.590 61.300 0.044 0.000 1.357 327 I CB -0.307 37.756 38.000 0.106 0.000 1.051 327 I HN 0.250 nan 8.210 nan 0.000 0.409 328 W N 2.195 123.423 121.300 -0.120 0.000 2.335 328 W HA -0.271 4.432 4.660 0.072 0.000 0.311 328 W C 2.224 178.667 176.519 -0.127 0.000 1.213 328 W CA 2.166 59.442 57.345 -0.114 0.000 1.274 328 W CB -0.561 28.832 29.460 -0.110 0.000 1.148 328 W HN 0.084 nan 8.180 nan 0.000 0.498 329 N N -0.593 118.056 118.700 -0.085 0.000 2.104 329 N HA -0.237 4.540 4.740 0.061 0.000 0.190 329 N C 1.634 176.986 175.510 -0.262 0.000 1.024 329 N CA 2.489 55.391 53.050 -0.247 0.000 0.853 329 N CB -0.364 38.002 38.487 -0.201 0.000 1.008 329 N HN 0.029 nan 8.380 nan 0.000 0.424 330 V N 0.820 120.633 119.914 -0.170 0.000 2.358 330 V HA -0.189 3.967 4.120 0.061 0.000 0.246 330 V C 1.996 178.028 176.094 -0.104 0.000 1.047 330 V CA 1.382 63.617 62.300 -0.108 0.000 1.035 330 V CB -0.376 31.396 31.823 -0.086 0.000 0.658 330 V HN 0.331 nan 8.190 nan 0.000 0.452 331 I N 0.413 120.860 120.570 -0.206 0.000 2.179 331 I HA -0.219 3.987 4.170 0.061 0.000 0.242 331 I C 2.600 178.643 176.117 -0.124 0.000 1.088 331 I CA 1.545 62.765 61.300 -0.134 0.000 1.357 331 I CB -0.518 37.327 38.000 -0.258 0.000 1.051 331 I HN 0.283 nan 8.210 nan 0.000 0.409 332 A N -0.060 122.468 122.820 -0.486 0.000 2.015 332 A HA -0.135 4.221 4.320 0.061 0.000 0.219 332 A C 2.321 179.859 177.584 -0.078 0.000 1.163 332 A CA 2.092 53.869 52.037 -0.434 0.000 0.646 332 A CB -0.766 17.551 19.000 -1.138 0.000 0.806 332 A HN 0.381 nan 8.150 nan 0.000 0.448 333 T N -0.282 114.201 114.554 -0.118 0.000 2.781 333 T HA -0.055 4.331 4.350 0.061 0.000 0.252 333 T C 1.534 176.237 174.700 0.005 0.000 1.039 333 T CA 1.257 63.331 62.100 -0.044 0.000 1.147 333 T CB -0.370 68.466 68.868 -0.054 0.000 0.865 333 T HN 0.369 nan 8.240 nan 0.000 0.423 334 D N 0.966 121.384 120.400 0.031 0.000 2.097 334 D HA -0.002 4.674 4.640 0.061 0.000 0.195 334 D C 2.340 178.632 176.300 -0.014 0.000 0.989 334 D CA 1.286 55.301 54.000 0.026 0.000 0.827 334 D CB -0.769 40.076 40.800 0.075 0.000 0.966 334 D HN 0.433 nan 8.370 nan 0.000 0.456 335 G N 0.116 108.928 108.800 0.019 0.000 2.402 335 G HA2 -0.158 3.839 3.960 0.061 0.000 0.216 335 G HA3 -0.158 3.839 3.960 0.061 0.000 0.216 335 G C 1.694 176.642 174.900 0.081 0.000 1.162 335 G CA 1.062 46.136 45.100 -0.043 0.000 0.777 335 G HN 0.399 nan 8.290 nan 0.000 0.539 336 G N 1.152 110.024 108.800 0.119 0.000 2.421 336 G HA2 0.027 4.023 3.960 0.061 0.000 0.216 336 G HA3 0.027 4.023 3.960 0.061 0.000 0.216 336 G C 2.070 177.069 174.900 0.164 0.000 1.171 336 G CA 1.622 46.848 45.100 0.209 0.000 0.775 336 G HN 0.638 nan 8.290 nan 0.000 0.543 337 A N -0.172 122.709 122.820 0.102 0.000 1.902 337 A HA -0.033 4.324 4.320 0.061 0.000 0.217 337 A C 2.240 179.902 177.584 0.130 0.000 1.181 337 A CA 1.742 53.835 52.037 0.093 0.000 0.623 337 A CB -0.702 18.341 19.000 0.073 0.000 0.818 337 A HN 0.466 nan 8.150 nan 0.000 0.443 338 Y N 0.104 120.394 120.300 -0.017 0.000 2.181 338 Y HA -0.221 4.352 4.550 0.037 0.000 0.288 338 Y C 2.572 178.469 175.900 -0.005 0.000 1.146 338 Y CA 2.455 60.532 58.100 -0.039 0.000 1.164 338 Y CB -0.222 38.159 38.460 -0.131 0.000 0.982 338 Y HN 0.507 nan 8.280 nan 0.000 0.515 339 Q N -0.673 119.163 119.800 0.061 0.000 2.159 339 Q HA -0.102 4.274 4.340 0.061 0.000 0.194 339 Q C 2.495 178.517 176.000 0.037 0.000 0.968 339 Q CA 0.963 56.758 55.803 -0.014 0.000 0.837 339 Q CB -0.200 28.563 28.738 0.042 0.000 0.920 339 Q HN 0.561 nan 8.270 nan 0.000 0.485 340 M N 0.264 119.939 119.600 0.124 0.000 2.117 340 M HA -0.143 4.374 4.480 0.061 0.000 0.262 340 M C 1.511 178.028 176.300 0.360 0.000 1.065 340 M CA 1.373 56.813 55.300 0.233 0.000 1.114 340 M CB 0.153 32.952 32.600 0.330 0.000 1.361 340 M HN 0.294 nan 8.290 nan 0.000 0.408 341 L N -0.819 120.549 121.223 0.241 0.000 2.115 341 L HA -0.078 4.298 4.340 0.061 0.000 0.200 341 L C 2.042 178.959 176.870 0.078 0.000 1.094 341 L CA 0.634 55.587 54.840 0.188 0.000 0.769 341 L CB -0.971 41.150 42.059 0.105 0.000 0.931 341 L HN 0.157 nan 8.230 nan 0.000 0.455 342 D N 0.448 120.857 120.400 0.014 0.000 2.218 342 D HA -0.117 4.559 4.640 0.061 0.000 0.204 342 D C 1.852 178.100 176.300 -0.088 0.000 0.976 342 D CA 1.466 55.430 54.000 -0.059 0.000 0.853 342 D CB -0.148 40.594 40.800 -0.097 0.000 0.939 342 D HN 0.398 nan 8.370 nan 0.000 0.481 343 G N -0.110 108.642 108.800 -0.080 0.000 3.042 343 G HA2 -0.055 3.942 3.960 0.061 0.000 0.212 343 G HA3 -0.055 3.942 3.960 0.061 0.000 0.212 343 G C 0.108 175.054 174.900 0.077 0.000 1.166 343 G CA -0.321 44.744 45.100 -0.059 0.000 0.767 343 G HN 0.207 nan 8.290 nan 0.000 0.546 344 N N -0.404 118.405 118.700 0.181 0.000 2.696 344 N HA -0.212 4.564 4.740 0.061 0.000 0.256 344 N C 1.490 177.176 175.510 0.293 0.000 1.031 344 N CA 0.589 53.887 53.050 0.413 0.000 0.730 344 N CB -0.935 37.726 38.487 0.290 0.000 0.894 344 N HN 0.750 nan 8.380 nan 0.000 0.544 345 G N -0.568 108.293 108.800 0.102 0.000 5.155 345 G HA2 -0.486 3.511 3.960 0.061 0.000 0.239 345 G HA3 -0.486 3.511 3.960 0.061 0.000 0.239 345 G C 0.724 175.373 174.900 -0.417 0.000 1.409 345 G CA 0.660 45.439 45.100 -0.535 0.000 0.927 345 G HN 0.401 nan 8.290 nan 0.000 0.710 346 Y N 2.238 122.364 120.300 -0.290 0.000 2.314 346 Y HA 0.325 4.907 4.550 0.054 0.000 0.293 346 Y C 2.471 178.324 175.900 -0.077 0.000 1.129 346 Y CA 2.076 60.047 58.100 -0.215 0.000 1.201 346 Y CB -0.515 37.841 38.460 -0.173 0.000 0.999 346 Y HN 1.520 nan 8.280 nan 0.000 0.541 347 G N 0.452 109.328 108.800 0.126 0.000 2.601 347 G HA2 -0.276 3.720 3.960 0.061 0.000 0.252 347 G HA3 -0.276 3.720 3.960 0.061 0.000 0.252 347 G C -0.244 174.779 174.900 0.205 0.000 1.294 347 G CA 0.205 45.346 45.100 0.069 0.000 0.912 347 G HN 0.136 nan 8.290 nan 0.000 0.574 348 M N -0.758 118.930 119.600 0.147 0.000 3.223 348 M HA 0.520 5.037 4.480 0.061 0.000 0.282 348 M C 0.295 176.701 176.300 0.176 0.000 1.346 348 M CA -0.354 55.059 55.300 0.189 0.000 0.789 348 M CB 1.621 34.261 32.600 0.067 0.000 1.724 348 M HN 0.875 nan 8.290 nan 0.000 0.447 349 N N -0.459 118.323 118.700 0.138 0.000 2.747 349 N HA -0.121 4.656 4.740 0.061 0.000 0.249 349 N C -1.133 174.460 175.510 0.137 0.000 1.107 349 N CA 0.957 54.077 53.050 0.116 0.000 0.707 349 N CB -1.495 37.056 38.487 0.108 0.000 1.054 349 N HN 0.767 nan 8.380 nan 0.000 0.555 350 A N -0.136 122.803 122.820 0.199 0.000 2.455 350 A HA 0.567 4.923 4.320 0.061 0.000 0.300 350 A C -0.190 177.539 177.584 0.241 0.000 1.040 350 A CA -0.659 51.488 52.037 0.183 0.000 0.697 350 A CB 1.867 20.957 19.000 0.151 0.000 1.265 350 A HN 0.148 nan 8.150 nan 0.000 0.407 351 E N 1.178 121.476 120.200 0.164 0.000 2.383 351 E HA 0.568 4.954 4.350 0.061 0.000 0.264 351 E C 0.532 177.247 176.600 0.191 0.000 1.050 351 E CA 1.378 57.876 56.400 0.162 0.000 0.896 351 E CB 0.812 30.570 29.700 0.098 0.000 0.982 351 E HN 1.767 nan 8.360 nan 0.000 0.424 352 G N 2.091 111.026 108.800 0.225 0.000 2.369 352 G HA2 0.050 4.046 3.960 0.061 0.000 0.293 352 G HA3 0.050 4.046 3.960 0.061 0.000 0.293 352 G C -1.680 173.374 174.900 0.256 0.000 1.301 352 G CA -0.738 44.473 45.100 0.185 0.000 0.913 352 G HN 0.581 nan 8.290 nan 0.000 0.540 353 L N 1.103 122.426 121.223 0.166 0.000 2.260 353 L HA 0.613 4.989 4.340 0.061 0.000 0.289 353 L C -0.601 176.360 176.870 0.151 0.000 1.057 353 L CA -0.650 54.296 54.840 0.177 0.000 0.811 353 L CB 0.358 42.486 42.059 0.114 0.000 1.184 353 L HN 0.636 nan 8.230 nan 0.000 0.429 354 Y N 2.738 123.013 120.300 -0.042 0.000 2.519 354 Y HA 0.234 4.816 4.550 0.053 0.000 0.324 354 Y C 0.294 175.938 175.900 -0.427 0.000 1.214 354 Y CA -0.654 57.243 58.100 -0.337 0.000 1.260 354 Y CB 1.440 39.727 38.460 -0.287 0.000 1.311 354 Y HN 0.454 nan 8.280 nan 0.000 0.505 355 D N 1.757 121.721 120.400 -0.725 0.000 2.456 355 D HA 0.285 4.961 4.640 0.061 0.000 0.287 355 D C -2.260 173.889 176.300 -0.253 0.000 1.186 355 D CA -2.364 51.428 54.000 -0.347 0.000 0.916 355 D CB 1.025 41.675 40.800 -0.250 0.000 1.029 355 D HN 0.162 nan 8.370 nan 0.000 0.498 356 P HA -0.150 nan 4.420 nan 0.000 0.216 356 P C 0.887 178.162 177.300 -0.042 0.000 1.150 356 P CA 1.155 64.169 63.100 -0.144 0.000 0.843 356 P CB 0.571 32.088 31.700 -0.305 0.000 0.787 357 E N -0.699 119.533 120.200 0.053 0.000 2.077 357 E HA -0.134 4.252 4.350 0.061 0.000 0.193 357 E C 1.996 178.659 176.600 0.105 0.000 0.989 357 E CA 0.760 57.258 56.400 0.164 0.000 0.800 357 E CB -1.129 28.754 29.700 0.306 0.000 0.746 357 E HN 0.205 nan 8.360 nan 0.000 0.452 358 L N -0.176 121.018 121.223 -0.048 0.000 2.056 358 L HA -0.148 4.228 4.340 0.061 0.000 0.207 358 L C 2.102 178.928 176.870 -0.072 0.000 1.078 358 L CA 1.126 55.710 54.840 -0.427 0.000 0.749 358 L CB -0.071 41.810 42.059 -0.296 0.000 0.901 358 L HN 0.224 nan 8.230 nan 0.000 0.433 359 M N -0.552 119.055 119.600 0.012 0.000 2.080 359 M HA -0.225 4.292 4.480 0.061 0.000 0.260 359 M C 2.400 178.778 176.300 0.130 0.000 1.068 359 M CA 1.978 57.348 55.300 0.116 0.000 1.109 359 M CB -0.587 32.048 32.600 0.059 0.000 1.342 359 M HN 0.429 nan 8.290 nan 0.000 0.405 360 A N -0.687 122.182 122.820 0.082 0.000 1.877 360 A HA -0.229 4.127 4.320 0.061 0.000 0.216 360 A C 1.847 179.499 177.584 0.113 0.000 1.186 360 A CA 2.158 54.243 52.037 0.080 0.000 0.620 360 A CB -1.086 17.958 19.000 0.073 0.000 0.822 360 A HN 0.587 nan 8.150 nan 0.000 0.443 361 H N -1.487 117.616 119.070 0.055 0.000 2.293 361 H HA -0.158 4.435 4.556 0.062 0.000 0.300 361 H C 1.758 177.163 175.328 0.128 0.000 1.082 361 H CA 2.238 58.336 56.048 0.084 0.000 1.308 361 H CB -0.476 29.314 29.762 0.047 0.000 1.375 361 H HN 0.475 nan 8.280 nan 0.000 0.495 362 F N 0.461 120.408 119.950 -0.004 0.000 2.171 362 F HA -0.177 4.385 4.527 0.058 0.000 0.300 362 F C 2.498 178.288 175.800 -0.016 0.000 1.090 362 F CA 1.178 59.180 58.000 0.004 0.000 1.293 362 F CB -0.386 38.706 39.000 0.154 0.000 1.013 362 F HN 0.334 nan 8.300 nan 0.000 0.486 363 A N 0.074 122.863 122.820 -0.052 0.000 1.877 363 A HA -0.235 4.121 4.320 0.061 0.000 0.216 363 A C 2.313 179.787 177.584 -0.183 0.000 1.186 363 A CA 2.168 54.103 52.037 -0.170 0.000 0.620 363 A CB -1.359 17.609 19.000 -0.053 0.000 0.822 363 A HN 0.538 nan 8.150 nan 0.000 0.443 364 S N -0.596 115.027 115.700 -0.127 0.000 2.383 364 S HA -0.110 4.396 4.470 0.061 0.000 0.227 364 S C 1.996 176.510 174.600 -0.142 0.000 1.026 364 S CA 1.177 59.306 58.200 -0.119 0.000 0.981 364 S CB -0.373 62.782 63.200 -0.075 0.000 0.818 364 S HN 0.575 nan 8.310 nan 0.000 0.472 365 R N 0.599 120.998 120.500 -0.169 0.000 2.200 365 R HA 0.227 4.603 4.340 0.061 0.000 0.208 365 R C 2.661 178.919 176.300 -0.071 0.000 1.033 365 R CA 0.609 56.672 56.100 -0.061 0.000 1.000 365 R CB -0.179 30.084 30.300 -0.062 0.000 0.906 365 R HN 0.469 nan 8.270 nan 0.000 0.462 366 R N 1.195 121.536 120.500 -0.266 0.000 2.081 366 R HA -0.153 4.223 4.340 0.061 0.000 0.235 366 R C 1.987 178.166 176.300 -0.201 0.000 1.131 366 R CA 1.875 57.770 56.100 -0.340 0.000 0.960 366 R CB -0.192 29.685 30.300 -0.706 0.000 0.856 366 R HN 0.177 nan 8.270 nan 0.000 0.436 367 I N -0.769 119.682 120.570 -0.197 0.000 2.500 367 I HA -0.091 4.115 4.170 0.061 0.000 0.252 367 I C 2.368 178.387 176.117 -0.163 0.000 1.142 367 I CA 1.193 62.397 61.300 -0.160 0.000 1.451 367 I CB -0.910 36.999 38.000 -0.150 0.000 1.093 367 I HN 0.185 nan 8.210 nan 0.000 0.430 368 Q N 0.164 119.840 119.800 -0.207 0.000 2.297 368 Q HA -0.149 4.228 4.340 0.061 0.000 0.204 368 Q C 0.974 176.665 176.000 -0.514 0.000 0.962 368 Q CA 1.241 56.835 55.803 -0.347 0.000 0.879 368 Q CB 0.018 28.513 28.738 -0.405 0.000 0.947 368 Q HN 0.676 nan 8.270 nan 0.000 0.462 369 H N -1.646 117.385 119.070 -0.065 0.000 2.767 369 H HA 0.317 4.908 4.556 0.059 0.000 0.260 369 H C 1.109 176.412 175.328 -0.042 0.000 1.172 369 H CA 0.441 56.465 56.048 -0.040 0.000 1.048 369 H CB 0.778 30.527 29.762 -0.022 0.000 1.697 369 H HN 0.305 nan 8.280 nan 0.000 0.606 370 A N 1.025 123.845 122.820 -0.001 0.000 1.917 370 A HA -0.209 4.148 4.320 0.061 0.000 0.219 370 A C 1.948 179.528 177.584 -0.007 0.000 1.182 370 A CA 1.872 53.896 52.037 -0.021 0.000 0.633 370 A CB -0.169 18.792 19.000 -0.065 0.000 0.819 370 A HN 0.224 nan 8.150 nan 0.000 0.448 371 D N -0.301 120.094 120.400 -0.008 0.000 2.309 371 D HA -0.015 4.661 4.640 0.061 0.000 0.212 371 D C 1.905 178.212 176.300 0.012 0.000 0.968 371 D CA 1.194 55.189 54.000 -0.008 0.000 0.882 371 D CB -0.146 40.648 40.800 -0.011 0.000 0.918 371 D HN 0.496 nan 8.370 nan 0.000 0.503 372 A N 0.213 123.060 122.820 0.045 0.000 2.169 372 A HA 0.077 4.433 4.320 0.061 0.000 0.212 372 A C 1.216 178.826 177.584 0.044 0.000 1.153 372 A CA -0.109 51.960 52.037 0.053 0.000 0.756 372 A CB -0.160 18.887 19.000 0.079 0.000 0.813 372 A HN 0.137 nan 8.150 nan 0.000 0.471 373 L N 1.736 122.980 121.223 0.034 0.000 2.485 373 L HA 0.078 4.454 4.340 0.061 0.000 0.275 373 L C 1.204 178.084 176.870 0.017 0.000 1.207 373 L CA -0.283 54.579 54.840 0.036 0.000 0.855 373 L CB 0.546 42.619 42.059 0.025 0.000 1.114 373 L HN 0.467 nan 8.230 nan 0.000 0.485 374 S N 1.442 117.176 115.700 0.056 0.000 2.576 374 S HA 0.018 4.524 4.470 0.061 0.000 0.272 374 S C 0.920 175.474 174.600 -0.077 0.000 1.352 374 S CA -0.677 57.563 58.200 0.066 0.000 1.021 374 S CB 0.929 64.272 63.200 0.237 0.000 0.887 374 S HN 0.586 nan 8.310 nan 0.000 0.542 375 E N 1.401 121.375 120.200 -0.376 0.000 2.153 375 E HA -0.103 4.284 4.350 0.061 0.000 0.194 375 E C 2.293 178.823 176.600 -0.117 0.000 0.988 375 E CA 1.784 57.937 56.400 -0.412 0.000 0.811 375 E CB -1.224 27.933 29.700 -0.906 0.000 0.746 375 E HN 0.979 nan 8.360 nan 0.000 0.466 376 T N -0.894 113.719 114.554 0.098 0.000 2.777 376 T HA -0.074 4.313 4.350 0.061 0.000 0.266 376 T C 2.202 176.884 174.700 -0.030 0.000 1.040 376 T CA 1.079 63.267 62.100 0.148 0.000 1.141 376 T CB -0.653 68.398 68.868 0.305 0.000 0.868 376 T HN -0.037 nan 8.240 nan 0.000 0.444 377 V N 1.850 121.746 119.914 -0.030 0.000 2.407 377 V HA -0.128 4.028 4.120 0.061 0.000 0.248 377 V C 2.719 178.724 176.094 -0.149 0.000 1.055 377 V CA 1.652 63.861 62.300 -0.151 0.000 1.049 377 V CB -0.582 31.241 31.823 -0.002 0.000 0.662 377 V HN 0.518 nan 8.190 nan 0.000 0.455 378 K N -0.412 119.932 120.400 -0.094 0.000 2.097 378 K HA -0.133 4.223 4.320 0.061 0.000 0.205 378 K C 2.083 178.630 176.600 -0.087 0.000 1.050 378 K CA 1.172 57.407 56.287 -0.087 0.000 0.938 378 K CB -0.322 32.126 32.500 -0.087 0.000 0.718 378 K HN 0.280 nan 8.250 nan 0.000 0.442 379 L N 1.088 122.261 121.223 -0.082 0.000 2.017 379 L HA -0.160 4.216 4.340 0.061 0.000 0.208 379 L C 1.996 178.814 176.870 -0.086 0.000 1.073 379 L CA 1.532 56.338 54.840 -0.057 0.000 0.745 379 L CB -0.383 41.668 42.059 -0.014 0.000 0.894 379 L HN -0.108 nan 8.230 nan 0.000 0.432 380 V N 0.085 119.891 119.914 -0.180 0.000 2.343 380 V HA -0.293 3.863 4.120 0.061 0.000 0.247 380 V C 2.809 178.823 176.094 -0.133 0.000 1.051 380 V CA 1.629 63.785 62.300 -0.241 0.000 1.036 380 V CB -1.279 30.172 31.823 -0.621 0.000 0.654 380 V HN 0.631 nan 8.190 nan 0.000 0.451 381 A N -0.154 122.596 122.820 -0.117 0.000 1.883 381 A HA -0.183 4.174 4.320 0.061 0.000 0.217 381 A C 2.204 179.793 177.584 0.009 0.000 1.186 381 A CA 2.019 54.029 52.037 -0.043 0.000 0.624 381 A CB -0.555 18.412 19.000 -0.055 0.000 0.822 381 A HN 0.501 nan 8.150 nan 0.000 0.444 382 L N -0.854 120.362 121.223 -0.012 0.000 2.005 382 L HA -0.146 4.230 4.340 0.061 0.000 0.207 382 L C 3.038 179.953 176.870 0.075 0.000 1.072 382 L CA 1.968 56.819 54.840 0.019 0.000 0.744 382 L CB -1.035 41.013 42.059 -0.019 0.000 0.895 382 L HN 0.602 nan 8.230 nan 0.000 0.433 383 T N -1.232 113.347 114.554 0.043 0.000 2.904 383 T HA -0.071 4.315 4.350 0.061 0.000 0.267 383 T C 1.841 176.606 174.700 0.109 0.000 1.059 383 T CA 1.187 63.333 62.100 0.076 0.000 1.137 383 T CB -0.349 68.541 68.868 0.037 0.000 0.879 383 T HN 0.403 nan 8.240 nan 0.000 0.467 384 G N -0.239 108.601 108.800 0.066 0.000 2.402 384 G HA2 -0.209 3.788 3.960 0.061 0.000 0.216 384 G HA3 -0.209 3.788 3.960 0.061 0.000 0.216 384 G C 1.436 176.387 174.900 0.085 0.000 1.162 384 G CA 1.001 46.135 45.100 0.057 0.000 0.777 384 G HN 0.699 nan 8.290 nan 0.000 0.539 385 H N -0.481 118.612 119.070 0.038 0.000 2.387 385 H HA -0.137 4.432 4.556 0.022 0.000 0.299 385 H C 2.245 177.610 175.328 0.061 0.000 1.090 385 H CA 2.045 58.119 56.048 0.044 0.000 1.332 385 H CB -0.192 29.591 29.762 0.034 0.000 1.386 385 H HN 0.515 nan 8.280 nan 0.000 0.516 386 H N -0.775 118.318 119.070 0.038 0.000 2.389 386 H HA -0.001 4.591 4.556 0.060 0.000 0.299 386 H C 2.407 177.702 175.328 -0.055 0.000 1.081 386 H CA 1.755 57.797 56.048 -0.010 0.000 1.345 386 H CB -0.580 29.194 29.762 0.020 0.000 1.393 386 H HN 0.434 nan 8.280 nan 0.000 0.520 387 G N 0.324 109.073 108.800 -0.085 0.000 2.402 387 G HA2 -0.171 3.826 3.960 0.061 0.000 0.216 387 G HA3 -0.171 3.826 3.960 0.061 0.000 0.216 387 G C 1.772 176.570 174.900 -0.170 0.000 1.162 387 G CA 0.926 45.941 45.100 -0.142 0.000 0.777 387 G HN 0.460 nan 8.290 nan 0.000 0.539 388 I N 1.350 121.826 120.570 -0.155 0.000 2.252 388 I HA -0.118 4.088 4.170 0.061 0.000 0.245 388 I C 3.069 179.067 176.117 -0.199 0.000 1.102 388 I CA 1.693 62.894 61.300 -0.166 0.000 1.385 388 I CB -0.315 37.624 38.000 -0.102 0.000 1.064 388 I HN 0.352 nan 8.210 nan 0.000 0.414 389 T N -2.881 111.505 114.554 -0.279 0.000 3.065 389 T HA -0.031 4.355 4.350 0.061 0.000 0.234 389 T C 1.857 176.431 174.700 -0.210 0.000 1.017 389 T CA 1.155 63.102 62.100 -0.255 0.000 1.292 389 T CB -0.900 67.765 68.868 -0.339 0.000 1.005 389 T HN 0.062 nan 8.240 nan 0.000 0.423 390 T N 2.495 116.908 114.554 -0.235 0.000 2.699 390 T HA -0.001 4.385 4.350 0.061 0.000 0.268 390 T C 1.653 176.202 174.700 -0.253 0.000 1.036 390 T CA 1.133 63.099 62.100 -0.223 0.000 1.147 390 T CB -0.497 68.224 68.868 -0.245 0.000 0.862 390 T HN 0.053 nan 8.240 nan 0.000 0.446 391 L N 0.411 121.427 121.223 -0.344 0.000 2.554 391 L HA 0.329 4.705 4.340 0.061 0.000 0.226 391 L C 2.005 178.782 176.870 -0.155 0.000 1.137 391 L CA 0.732 55.428 54.840 -0.240 0.000 0.863 391 L CB -1.157 40.748 42.059 -0.257 0.000 0.985 391 L HN 0.507 nan 8.230 nan 0.000 0.451 392 G N -0.552 108.155 108.800 -0.155 0.000 2.203 392 G HA2 -0.248 3.748 3.960 0.061 0.000 0.263 392 G HA3 -0.248 3.748 3.960 0.061 0.000 0.263 392 G C 1.225 176.058 174.900 -0.112 0.000 1.012 392 G CA 0.464 45.494 45.100 -0.118 0.000 0.749 392 G HN 0.891 nan 8.290 nan 0.000 0.512 393 G N -1.343 107.381 108.800 -0.125 0.000 2.189 393 G HA2 0.026 4.022 3.960 0.061 0.000 0.267 393 G HA3 0.026 4.022 3.960 0.061 0.000 0.267 393 G C 1.693 176.571 174.900 -0.037 0.000 0.975 393 G CA 1.445 46.479 45.100 -0.110 0.000 0.644 393 G HN 2.104 nan 8.290 nan 0.000 0.537 394 A N 0.196 122.988 122.820 -0.048 0.000 1.978 394 A HA 0.161 4.518 4.320 0.061 0.000 0.220 394 A C 2.603 180.177 177.584 -0.017 0.000 1.170 394 A CA 2.620 54.639 52.037 -0.030 0.000 0.636 394 A CB -0.593 18.382 19.000 -0.043 0.000 0.810 394 A HN 0.993 nan 8.150 nan 0.000 0.448 395 S N -1.949 113.740 115.700 -0.018 0.000 2.383 395 S HA -0.135 4.372 4.470 0.061 0.000 0.227 395 S C 1.781 176.371 174.600 -0.017 0.000 1.026 395 S CA 1.313 59.501 58.200 -0.021 0.000 0.981 395 S CB -0.503 62.685 63.200 -0.020 0.000 0.818 395 S HN 0.728 nan 8.310 nan 0.000 0.472 396 Y N 2.365 122.609 120.300 -0.094 0.000 2.200 396 Y HA -0.028 4.572 4.550 0.083 0.000 0.290 396 Y C 2.390 178.239 175.900 -0.084 0.000 1.137 396 Y CA 1.301 59.341 58.100 -0.100 0.000 1.163 396 Y CB -0.906 37.473 38.460 -0.135 0.000 0.988 396 Y HN 0.226 nan 8.280 nan 0.000 0.518 397 G N 0.135 108.966 108.800 0.051 0.000 2.422 397 G HA2 -0.258 3.739 3.960 0.061 0.000 0.218 397 G HA3 -0.258 3.739 3.960 0.061 0.000 0.218 397 G C 1.648 176.500 174.900 -0.080 0.000 1.146 397 G CA 1.017 46.113 45.100 -0.006 0.000 0.769 397 G HN 0.380 nan 8.290 nan 0.000 0.547 398 K N 0.513 120.869 120.400 -0.072 0.000 2.057 398 K HA 0.124 4.481 4.320 0.061 0.000 0.206 398 K C 2.975 179.520 176.600 -0.092 0.000 1.050 398 K CA 0.871 57.119 56.287 -0.066 0.000 0.935 398 K CB -0.205 32.265 32.500 -0.049 0.000 0.715 398 K HN 0.253 nan 8.250 nan 0.000 0.439 399 A N 1.923 124.654 122.820 -0.149 0.000 1.883 399 A HA -0.185 4.171 4.320 0.061 0.000 0.217 399 A C 2.068 179.537 177.584 -0.192 0.000 1.186 399 A CA 1.311 53.248 52.037 -0.167 0.000 0.624 399 A CB -0.398 18.453 19.000 -0.249 0.000 0.822 399 A HN 0.151 nan 8.150 nan 0.000 0.444 400 R N -0.054 120.258 120.500 -0.313 0.000 2.103 400 R HA -0.143 4.234 4.340 0.061 0.000 0.242 400 R C 1.592 177.819 176.300 -0.121 0.000 1.142 400 R CA 1.698 57.648 56.100 -0.251 0.000 0.960 400 R CB -0.841 29.299 30.300 -0.266 0.000 0.858 400 R HN 0.711 nan 8.270 nan 0.000 0.439 401 N N 0.432 119.079 118.700 -0.090 0.000 2.550 401 N HA -0.041 4.735 4.740 0.061 0.000 0.186 401 N C 1.399 176.892 175.510 -0.029 0.000 1.110 401 N CA 0.228 53.248 53.050 -0.049 0.000 0.912 401 N CB 0.112 38.578 38.487 -0.035 0.000 0.968 401 N HN 0.175 nan 8.380 nan 0.000 0.448 402 L N -0.330 120.885 121.223 -0.014 0.000 2.556 402 L HA 0.083 4.459 4.340 0.061 0.000 0.226 402 L C 1.900 178.784 176.870 0.024 0.000 1.089 402 L CA 0.024 54.895 54.840 0.051 0.000 0.864 402 L CB 0.203 42.353 42.059 0.151 0.000 1.067 402 L HN -0.031 nan 8.230 nan 0.000 0.477 403 V N 0.991 120.901 119.914 -0.006 0.000 2.332 403 V HA -0.184 3.973 4.120 0.061 0.000 0.248 403 V C -0.212 175.864 176.094 -0.030 0.000 1.055 403 V CA 2.067 64.368 62.300 0.002 0.000 1.038 403 V CB -1.492 30.315 31.823 -0.027 0.000 0.651 403 V HN 0.326 nan 8.190 nan 0.000 0.450 404 P HA -0.148 nan 4.420 nan 0.000 0.216 404 P C 1.895 179.100 177.300 -0.158 0.000 1.150 404 P CA 1.438 64.491 63.100 -0.079 0.000 0.837 404 P CB -0.061 31.595 31.700 -0.075 0.000 0.786 405 L N -1.451 119.609 121.223 -0.272 0.000 2.093 405 L HA -0.116 4.261 4.340 0.061 0.000 0.208 405 L C 2.433 178.835 176.870 -0.780 0.000 1.085 405 L CA 1.428 55.914 54.840 -0.590 0.000 0.755 405 L CB -1.073 40.497 42.059 -0.815 0.000 0.904 405 L HN -0.037 nan 8.230 nan 0.000 0.435 406 A N 0.076 122.630 122.820 -0.443 0.000 1.898 406 A HA -0.215 4.141 4.320 0.061 0.000 0.216 406 A C 2.429 179.989 177.584 -0.041 0.000 1.181 406 A CA 1.479 53.427 52.037 -0.148 0.000 0.620 406 A CB -0.491 18.627 19.000 0.196 0.000 0.819 406 A HN 0.305 nan 8.150 nan 0.000 0.442 407 R N -0.374 120.173 120.500 0.078 0.000 2.081 407 R HA -0.084 4.293 4.340 0.061 0.000 0.235 407 R C 2.248 178.661 176.300 0.188 0.000 1.131 407 R CA 1.390 57.659 56.100 0.282 0.000 0.960 407 R CB -0.366 30.041 30.300 0.179 0.000 0.856 407 R HN 0.432 nan 8.270 nan 0.000 0.436 408 A N 0.537 123.345 122.820 -0.020 0.000 1.969 408 A HA -0.054 4.302 4.320 0.061 0.000 0.218 408 A C 2.285 179.823 177.584 -0.077 0.000 1.169 408 A CA 1.468 53.476 52.037 -0.048 0.000 0.635 408 A CB -0.592 18.329 19.000 -0.131 0.000 0.810 408 A HN 0.533 nan 8.150 nan 0.000 0.445 409 A N -0.976 121.713 122.820 -0.219 0.000 1.877 409 A HA -0.082 4.275 4.320 0.061 0.000 0.216 409 A C 2.075 179.594 177.584 -0.109 0.000 1.186 409 A CA 1.638 53.534 52.037 -0.236 0.000 0.620 409 A CB -0.831 17.945 19.000 -0.372 0.000 0.822 409 A HN 0.543 nan 8.150 nan 0.000 0.443 410 Y N 0.698 121.031 120.300 0.055 0.000 2.181 410 Y HA -0.163 4.423 4.550 0.060 0.000 0.288 410 Y C 2.230 178.168 175.900 0.063 0.000 1.146 410 Y CA 1.319 59.433 58.100 0.024 0.000 1.164 410 Y CB -0.514 37.859 38.460 -0.145 0.000 0.982 410 Y HN 0.317 nan 8.280 nan 0.000 0.515 411 D N -1.031 119.545 120.400 0.293 0.000 2.218 411 D HA -0.131 4.546 4.640 0.061 0.000 0.204 411 D C 2.012 178.406 176.300 0.158 0.000 0.976 411 D CA 1.591 55.743 54.000 0.252 0.000 0.853 411 D CB -0.382 40.559 40.800 0.235 0.000 0.939 411 D HN 0.308 nan 8.370 nan 0.000 0.481 412 T N 0.346 114.967 114.554 0.112 0.000 2.812 412 T HA -0.045 4.342 4.350 0.061 0.000 0.264 412 T C 1.992 176.766 174.700 0.124 0.000 1.042 412 T CA 1.233 63.384 62.100 0.086 0.000 1.140 412 T CB -0.086 68.809 68.868 0.045 0.000 0.870 412 T HN 0.185 nan 8.240 nan 0.000 0.445 413 A N 1.095 124.012 122.820 0.160 0.000 1.930 413 A HA 0.106 4.462 4.320 0.061 0.000 0.217 413 A C 2.119 179.878 177.584 0.292 0.000 1.175 413 A CA 0.985 53.167 52.037 0.242 0.000 0.627 413 A CB -0.727 18.399 19.000 0.211 0.000 0.815 413 A HN 0.480 nan 8.150 nan 0.000 0.443 414 L N -1.001 120.352 121.223 0.216 0.000 2.551 414 L HA -0.046 4.330 4.340 0.061 0.000 0.228 414 L C 2.531 179.490 176.870 0.149 0.000 1.153 414 L CA 0.448 55.404 54.840 0.194 0.000 0.851 414 L CB -0.247 41.919 42.059 0.178 0.000 0.959 414 L HN 0.345 nan 8.230 nan 0.000 0.451 415 R N -0.851 119.721 120.500 0.119 0.000 2.210 415 R HA -0.020 4.356 4.340 0.061 0.000 0.203 415 R C 1.877 178.175 176.300 -0.003 0.000 1.010 415 R CA 0.576 56.712 56.100 0.060 0.000 1.008 415 R CB 0.124 30.454 30.300 0.050 0.000 0.923 415 R HN 0.485 nan 8.270 nan 0.000 0.469 416 Q N -0.900 118.888 119.800 -0.019 0.000 2.339 416 Q HA 0.105 4.482 4.340 0.061 0.000 0.205 416 Q C -0.334 175.315 176.000 -0.585 0.000 0.925 416 Q CA 0.685 56.310 55.803 -0.296 0.000 0.898 416 Q CB 0.557 29.088 28.738 -0.345 0.000 1.013 416 Q HN 0.053 nan 8.270 nan 0.000 0.504 417 F N -0.624 119.340 119.950 0.025 0.000 2.593 417 F HA 0.252 4.816 4.527 0.061 0.000 0.320 417 F C 0.794 176.603 175.800 0.016 0.000 1.060 417 F CA -1.038 56.971 58.000 0.015 0.000 0.940 417 F CB 1.225 40.228 39.000 0.006 0.000 1.268 417 F HN -0.229 nan 8.300 nan 0.000 0.475 418 D N 0.232 120.749 120.400 0.195 0.000 2.183 418 D HA 0.040 4.716 4.640 0.061 0.000 0.205 418 D C 0.201 176.555 176.300 0.091 0.000 0.962 418 D CA 1.479 55.547 54.000 0.114 0.000 0.849 418 D CB 0.622 41.470 40.800 0.080 0.000 0.978 418 D HN 0.218 nan 8.370 nan 0.000 0.488 419 V N -1.952 118.011 119.914 0.082 0.000 3.114 419 V HA 0.564 4.720 4.120 0.061 0.000 0.308 419 V C -1.029 175.027 176.094 -0.063 0.000 1.168 419 V CA -1.120 61.173 62.300 -0.012 0.000 1.015 419 V CB 2.480 34.273 31.823 -0.051 0.000 1.050 419 V HN -0.158 nan 8.190 nan 0.000 0.433 420 L N 2.901 124.030 121.223 -0.157 0.000 2.346 420 L HA 0.926 5.302 4.340 0.061 0.000 0.274 420 L C -0.379 176.343 176.870 -0.247 0.000 1.007 420 L CA -0.969 53.743 54.840 -0.213 0.000 0.818 420 L CB 1.949 43.895 42.059 -0.188 0.000 1.284 420 L HN 0.841 nan 8.230 nan 0.000 0.424 421 V N 1.350 121.127 119.914 -0.228 0.000 2.962 421 V HA 0.872 5.028 4.120 0.061 0.000 0.313 421 V C -0.455 175.536 176.094 -0.171 0.000 1.099 421 V CA -0.628 61.537 62.300 -0.224 0.000 0.971 421 V CB 2.011 33.702 31.823 -0.220 0.000 1.028 421 V HN 0.959 nan 8.190 nan 0.000 0.430 422 M N 1.050 120.503 119.600 -0.243 0.000 3.069 422 M HA 0.692 5.209 4.480 0.061 0.000 0.274 422 M C -3.331 172.667 176.300 -0.503 0.000 1.146 422 M CA -1.485 53.570 55.300 -0.408 0.000 0.807 422 M CB 1.514 33.863 32.600 -0.419 0.000 1.621 422 M HN 0.369 nan 8.290 nan 0.000 0.521 423 P HA 0.265 nan 4.420 nan 0.000 0.271 423 P C 0.003 177.045 177.300 -0.430 0.000 1.216 423 P CA -0.026 62.750 63.100 -0.540 0.000 0.771 423 P CB 0.918 32.245 31.700 -0.623 0.000 0.864 424 T N 2.049 116.383 114.554 -0.366 0.000 2.737 424 T HA -0.004 4.383 4.350 0.061 0.000 0.265 424 T C 0.731 175.191 174.700 -0.400 0.000 1.038 424 T CA 1.213 63.105 62.100 -0.347 0.000 1.144 424 T CB -0.292 68.372 68.868 -0.340 0.000 0.866 424 T HN 0.254 nan 8.240 nan 0.000 0.434 425 L N 0.989 121.942 121.223 -0.450 0.000 2.370 425 L HA 0.365 4.741 4.340 0.061 0.000 0.266 425 L C -1.794 174.805 176.870 -0.452 0.000 1.002 425 L CA -2.202 52.316 54.840 -0.535 0.000 0.818 425 L CB 2.582 44.196 42.059 -0.742 0.000 1.325 425 L HN -0.168 nan 8.230 nan 0.000 0.418 426 P HA 0.017 nan 4.420 nan 0.000 0.249 426 P C -1.036 176.231 177.300 -0.054 0.000 1.229 426 P CA 0.679 63.621 63.100 -0.263 0.000 0.788 426 P CB 0.154 31.755 31.700 -0.166 0.000 1.072 427 Y N -2.364 117.921 120.300 -0.025 0.000 2.689 427 Y HA 0.522 5.107 4.550 0.060 0.000 0.333 427 Y C -0.543 175.457 175.900 0.167 0.000 1.208 427 Y CA -2.330 55.802 58.100 0.052 0.000 1.055 427 Y CB 0.343 38.843 38.460 0.067 0.000 1.304 427 Y HN -0.215 nan 8.280 nan 0.000 0.455 428 V N -0.017 120.145 119.914 0.413 0.000 3.036 428 V HA 0.861 5.017 4.120 0.061 0.000 0.308 428 V C 0.784 177.083 176.094 0.341 0.000 1.070 428 V CA -0.700 61.804 62.300 0.340 0.000 1.056 428 V CB 0.571 32.480 31.823 0.144 0.000 1.084 428 V HN 1.487 nan 8.190 nan 0.000 0.471 429 A N 3.276 126.147 122.820 0.084 0.000 2.573 429 A HA 0.404 4.761 4.320 0.061 0.000 0.250 429 A C 0.858 178.335 177.584 -0.180 0.000 1.049 429 A CA 0.702 52.487 52.037 -0.419 0.000 0.767 429 A CB -1.120 17.681 19.000 -0.331 0.000 0.965 429 A HN 1.716 nan 8.150 nan 0.000 0.514 430 S N 2.612 118.191 115.700 -0.202 0.000 2.713 430 S HA 0.489 4.995 4.470 0.061 0.000 0.283 430 S C -0.148 174.375 174.600 -0.129 0.000 1.161 430 S CA -0.879 57.241 58.200 -0.133 0.000 0.999 430 S CB 0.761 63.865 63.200 -0.159 0.000 1.039 430 S HN 0.721 nan 8.310 nan 0.000 0.548 431 E N 0.624 120.762 120.200 -0.104 0.000 2.398 431 E HA 0.153 4.540 4.350 0.061 0.000 0.263 431 E C -0.381 176.149 176.600 -0.116 0.000 1.046 431 E CA -0.526 55.820 56.400 -0.090 0.000 0.908 431 E CB 0.277 29.932 29.700 -0.075 0.000 0.963 431 E HN 0.340 nan 8.360 nan 0.000 0.431 432 L N 3.962 125.126 121.223 -0.099 0.000 2.456 432 L HA 0.140 4.516 4.340 0.061 0.000 0.272 432 L C -1.511 175.227 176.870 -0.219 0.000 1.189 432 L CA -1.269 53.488 54.840 -0.138 0.000 0.846 432 L CB -0.825 41.199 42.059 -0.059 0.000 1.111 432 L HN 0.449 nan 8.230 nan 0.000 0.475 433 P HA 0.215 nan 4.420 nan 0.000 0.274 433 P C -0.874 176.296 177.300 -0.216 0.000 1.237 433 P CA -0.575 62.304 63.100 -0.368 0.000 0.793 433 P CB 0.903 32.214 31.700 -0.647 0.000 0.977 434 A N 2.653 125.394 122.820 -0.132 0.000 2.340 434 A HA 0.202 4.558 4.320 0.061 0.000 0.268 434 A C 0.631 178.194 177.584 -0.036 0.000 1.100 434 A CA -0.522 51.475 52.037 -0.065 0.000 0.803 434 A CB -0.022 18.953 19.000 -0.043 0.000 1.043 434 A HN 0.350 nan 8.150 nan 0.000 0.488 435 K N 1.819 122.219 120.400 -0.001 0.000 2.146 435 K HA 0.068 4.425 4.320 0.061 0.000 0.220 435 K C -0.637 175.984 176.600 0.034 0.000 1.227 435 K CA 0.671 56.980 56.287 0.036 0.000 1.185 435 K CB -0.292 32.236 32.500 0.046 0.000 1.333 435 K HN 0.716 nan 8.250 nan 0.000 0.242 436 D N -0.727 119.693 120.400 0.034 0.000 2.788 436 D HA -0.060 4.616 4.640 0.061 0.000 0.447 436 D C -0.416 175.904 176.300 0.034 0.000 1.215 436 D CA 0.017 54.035 54.000 0.030 0.000 1.028 436 D CB 0.200 41.008 40.800 0.013 0.000 1.694 436 D HN -0.018 nan 8.370 nan 0.000 0.352 437 V N 1.414 121.355 119.914 0.045 0.000 2.953 437 V HA 0.070 4.226 4.120 0.061 0.000 0.304 437 V C 0.798 176.947 176.094 0.093 0.000 1.138 437 V CA 0.033 62.366 62.300 0.054 0.000 1.266 437 V CB 0.468 32.337 31.823 0.077 0.000 0.923 437 V HN 0.200 nan 8.190 nan 0.000 0.505 438 D N 1.870 122.317 120.400 0.079 0.000 2.304 438 D HA 0.184 4.860 4.640 0.061 0.000 0.250 438 D C 1.100 177.476 176.300 0.127 0.000 1.107 438 D CA -0.398 53.647 54.000 0.075 0.000 0.885 438 D CB 0.976 41.806 40.800 0.050 0.000 1.192 438 D HN 0.517 nan 8.370 nan 0.000 0.436 439 R N 3.072 123.618 120.500 0.078 0.000 2.133 439 R HA -0.229 4.147 4.340 0.061 0.000 0.247 439 R C 1.715 178.094 176.300 0.132 0.000 1.151 439 R CA 2.020 58.155 56.100 0.058 0.000 0.971 439 R CB -0.261 30.026 30.300 -0.021 0.000 0.866 439 R HN 0.559 nan 8.270 nan 0.000 0.447 440 A N -0.719 122.165 122.820 0.106 0.000 1.929 440 A HA -0.082 4.274 4.320 0.061 0.000 0.216 440 A C 2.125 179.798 177.584 0.149 0.000 1.176 440 A CA 1.778 53.882 52.037 0.113 0.000 0.628 440 A CB -0.657 18.386 19.000 0.073 0.000 0.816 440 A HN 0.464 nan 8.150 nan 0.000 0.444 441 T N -0.641 113.996 114.554 0.139 0.000 2.777 441 T HA -0.110 4.277 4.350 0.061 0.000 0.266 441 T C 1.612 176.429 174.700 0.194 0.000 1.040 441 T CA 1.422 63.592 62.100 0.117 0.000 1.141 441 T CB -0.420 68.482 68.868 0.057 0.000 0.868 441 T HN 0.422 nan 8.240 nan 0.000 0.444 442 F N 1.918 121.925 119.950 0.094 0.000 2.043 442 F HA -0.141 4.423 4.527 0.061 0.000 0.297 442 F C 2.015 177.982 175.800 0.278 0.000 1.121 442 F CA 1.122 59.250 58.000 0.214 0.000 1.199 442 F CB -0.589 38.531 39.000 0.200 0.000 0.968 442 F HN 0.080 nan 8.300 nan 0.000 0.478 443 I N -0.737 120.179 120.570 0.576 0.000 2.179 443 I HA -0.337 3.869 4.170 0.061 0.000 0.242 443 I C 2.270 178.563 176.117 0.294 0.000 1.088 443 I CA 1.870 63.420 61.300 0.417 0.000 1.357 443 I CB -0.954 37.213 38.000 0.277 0.000 1.051 443 I HN 0.152 nan 8.210 nan 0.000 0.409 444 T N 0.007 114.701 114.554 0.233 0.000 2.788 444 T HA -0.184 4.203 4.350 0.061 0.000 0.268 444 T C 1.902 176.719 174.700 0.194 0.000 1.044 444 T CA 1.294 63.506 62.100 0.187 0.000 1.139 444 T CB -0.116 68.833 68.868 0.135 0.000 0.867 444 T HN 0.043 nan 8.240 nan 0.000 0.454 445 K N 1.082 121.601 120.400 0.198 0.000 2.366 445 K HA 0.299 4.655 4.320 0.061 0.000 0.198 445 K C 1.898 178.684 176.600 0.309 0.000 1.044 445 K CA 0.573 56.986 56.287 0.210 0.000 0.973 445 K CB -0.292 32.271 32.500 0.105 0.000 0.767 445 K HN 0.272 nan 8.250 nan 0.000 0.475 446 A N -0.785 122.195 122.820 0.267 0.000 1.997 446 A HA 0.136 4.492 4.320 0.061 0.000 0.212 446 A C 0.941 178.616 177.584 0.151 0.000 1.178 446 A CA 0.643 52.743 52.037 0.105 0.000 0.698 446 A CB 0.202 19.194 19.000 -0.014 0.000 0.842 446 A HN 0.194 nan 8.150 nan 0.000 0.458 447 L N -1.015 120.335 121.223 0.211 0.000 3.229 447 L HA 0.317 4.693 4.340 0.061 0.000 0.286 447 L C 1.691 178.678 176.870 0.195 0.000 1.239 447 L CA 0.524 55.494 54.840 0.216 0.000 1.035 447 L CB 0.455 42.686 42.059 0.287 0.000 1.408 447 L HN 0.283 nan 8.230 nan 0.000 0.593 448 G N -0.074 108.846 108.800 0.199 0.000 2.985 448 G HA2 -0.003 3.993 3.960 0.061 0.000 0.209 448 G HA3 -0.003 3.993 3.960 0.061 0.000 0.209 448 G C 1.144 176.115 174.900 0.120 0.000 1.165 448 G CA 0.287 45.491 45.100 0.172 0.000 0.776 448 G HN 0.259 nan 8.290 nan 0.000 0.541 449 M N 0.386 120.017 119.600 0.052 0.000 2.405 449 M HA 0.380 4.896 4.480 0.061 0.000 0.292 449 M C 1.115 177.268 176.300 -0.246 0.000 1.111 449 M CA -0.124 55.077 55.300 -0.166 0.000 0.979 449 M CB -0.654 31.773 32.600 -0.288 0.000 1.426 449 M HN 0.245 nan 8.290 nan 0.000 0.509 450 I N -2.499 117.945 120.570 -0.210 0.000 3.904 450 I HA 0.468 4.674 4.170 0.061 0.000 0.333 450 I C 1.664 177.548 176.117 -0.388 0.000 1.361 450 I CA 0.185 61.316 61.300 -0.283 0.000 1.116 450 I CB -0.238 37.609 38.000 -0.254 0.000 1.028 450 I HN 0.089 nan 8.210 nan 0.000 0.398 451 A N 2.171 124.695 122.820 -0.495 0.000 1.940 451 A HA -0.170 4.187 4.320 0.061 0.000 0.219 451 A C 1.953 179.306 177.584 -0.386 0.000 1.176 451 A CA 1.947 53.565 52.037 -0.699 0.000 0.631 451 A CB -0.545 18.072 19.000 -0.639 0.000 0.814 451 A HN 0.543 nan 8.150 nan 0.000 0.446 452 N N -0.996 117.589 118.700 -0.190 0.000 2.409 452 N HA -0.057 4.719 4.740 0.061 0.000 0.174 452 N C 1.909 177.405 175.510 -0.023 0.000 1.037 452 N CA 1.752 54.803 53.050 0.003 0.000 0.898 452 N CB -0.390 38.084 38.487 -0.022 0.000 1.010 452 N HN 0.697 nan 8.380 nan 0.000 0.445 453 T N -1.330 113.127 114.554 -0.162 0.000 2.809 453 T HA 0.149 4.535 4.350 0.061 0.000 0.260 453 T C 2.086 176.642 174.700 -0.240 0.000 1.039 453 T CA 1.001 63.013 62.100 -0.147 0.000 1.141 453 T CB -0.488 68.241 68.868 -0.232 0.000 0.869 453 T HN 0.063 nan 8.240 nan 0.000 0.437 454 A N 3.176 125.726 122.820 -0.449 0.000 1.948 454 A HA 0.019 4.376 4.320 0.061 0.000 0.220 454 A C 0.402 177.686 177.584 -0.500 0.000 1.177 454 A CA 1.586 53.162 52.037 -0.769 0.000 0.636 454 A CB -1.749 16.419 19.000 -1.386 0.000 0.815 454 A HN 0.470 nan 8.150 nan 0.000 0.449 455 P HA -0.153 nan 4.420 nan 0.000 0.216 455 P C 0.906 177.999 177.300 -0.346 0.000 1.150 455 P CA 1.137 64.041 63.100 -0.326 0.000 0.843 455 P CB -0.208 31.200 31.700 -0.487 0.000 0.787 456 F N -0.875 119.012 119.950 -0.105 0.000 2.661 456 F HA -0.046 4.518 4.527 0.061 0.000 0.298 456 F C 1.952 177.693 175.800 -0.100 0.000 1.137 456 F CA 0.697 58.614 58.000 -0.139 0.000 1.454 456 F CB -0.539 38.301 39.000 -0.266 0.000 1.103 456 F HN -0.057 nan 8.300 nan 0.000 0.577 457 D N -0.228 120.181 120.400 0.014 0.000 2.194 457 D HA -0.119 4.557 4.640 0.061 0.000 0.204 457 D C 2.392 178.824 176.300 0.219 0.000 0.964 457 D CA 1.027 55.081 54.000 0.090 0.000 0.846 457 D CB -0.089 40.788 40.800 0.128 0.000 0.962 457 D HN 0.210 nan 8.370 nan 0.000 0.490 458 V N 1.328 121.371 119.914 0.215 0.000 2.535 458 V HA -0.138 4.018 4.120 0.061 0.000 0.246 458 V C 2.526 178.675 176.094 0.091 0.000 1.045 458 V CA 2.221 64.615 62.300 0.157 0.000 1.058 458 V CB -0.159 31.791 31.823 0.212 0.000 0.689 458 V HN 0.286 nan 8.190 nan 0.000 0.461 459 T N -3.256 111.405 114.554 0.179 0.000 3.043 459 T HA 0.220 4.606 4.350 0.061 0.000 0.263 459 T C 1.665 176.488 174.700 0.204 0.000 1.094 459 T CA 1.135 63.395 62.100 0.266 0.000 1.127 459 T CB 0.378 69.579 68.868 0.556 0.000 0.905 459 T HN 1.232 nan 8.240 nan 0.000 0.490 460 G N 0.999 109.885 108.800 0.143 0.000 2.176 460 G HA2 -0.241 3.755 3.960 0.061 0.000 0.253 460 G HA3 -0.241 3.755 3.960 0.061 0.000 0.253 460 G C -0.086 174.625 174.900 -0.314 0.000 0.979 460 G CA 0.127 45.274 45.100 0.077 0.000 0.641 460 G HN 0.783 nan 8.290 nan 0.000 0.530 461 H N 2.480 121.333 119.070 -0.361 0.000 2.972 461 H HA 0.362 4.955 4.556 0.060 0.000 0.343 461 H C -1.685 173.389 175.328 -0.423 0.000 1.054 461 H CA 0.143 55.871 56.048 -0.534 0.000 1.412 461 H CB 0.536 30.110 29.762 -0.313 0.000 1.385 461 H HN 0.224 nan 8.280 nan 0.000 0.600 462 P HA 0.008 nan 4.420 nan 0.000 0.268 462 P C -0.582 176.503 177.300 -0.359 0.000 1.205 462 P CA -0.051 62.870 63.100 -0.300 0.000 0.771 462 P CB 1.085 32.695 31.700 -0.150 0.000 0.858 463 S N 2.657 118.081 115.700 -0.460 0.000 2.668 463 S HA 0.500 5.006 4.470 0.061 0.000 0.277 463 S C -1.304 173.090 174.600 -0.344 0.000 1.170 463 S CA -0.653 57.280 58.200 -0.446 0.000 0.994 463 S CB 0.260 63.162 63.200 -0.495 0.000 1.051 463 S HN 0.356 nan 8.310 nan 0.000 0.484 464 L N 4.358 125.476 121.223 -0.175 0.000 2.329 464 L HA 0.804 5.180 4.340 0.061 0.000 0.279 464 L C -0.331 176.459 176.870 -0.134 0.000 1.014 464 L CA 0.078 54.900 54.840 -0.029 0.000 0.814 464 L CB 2.040 44.160 42.059 0.102 0.000 1.257 464 L HN 0.583 nan 8.230 nan 0.000 0.424 465 S N 4.296 119.921 115.700 -0.123 0.000 2.456 465 S HA 0.753 5.260 4.470 0.061 0.000 0.316 465 S C -0.929 173.593 174.600 -0.131 0.000 1.089 465 S CA -0.483 57.618 58.200 -0.164 0.000 1.101 465 S CB 0.696 63.782 63.200 -0.189 0.000 0.995 465 S HN 0.754 nan 8.310 nan 0.000 0.468 466 V N 3.259 123.091 119.914 -0.137 0.000 2.680 466 V HA 0.744 4.901 4.120 0.061 0.000 0.309 466 V C -2.982 173.036 176.094 -0.127 0.000 1.052 466 V CA -2.948 59.302 62.300 -0.084 0.000 0.908 466 V CB 1.169 33.017 31.823 0.043 0.000 1.001 466 V HN 0.604 nan 8.190 nan 0.000 0.431 467 P HA 0.229 nan 4.420 nan 0.000 0.262 467 P C 0.475 177.687 177.300 -0.146 0.000 1.199 467 P CA 0.622 63.396 63.100 -0.543 0.000 0.763 467 P CB 1.157 31.977 31.700 -1.467 0.000 0.790 468 A N 3.576 126.397 122.820 0.000 0.000 2.044 468 A HA 0.539 4.896 4.320 0.061 0.000 0.213 468 A C 1.050 178.826 177.584 0.320 0.000 1.169 468 A CA 1.344 53.541 52.037 0.267 0.000 0.724 468 A CB -0.328 18.718 19.000 0.077 0.000 0.840 468 A HN 0.615 nan 8.150 nan 0.000 0.463 469 G N -1.877 107.123 108.800 0.333 0.000 2.333 469 G HA2 0.405 4.402 3.960 0.061 0.000 0.288 469 G HA3 0.405 4.402 3.960 0.061 0.000 0.288 469 G C -1.684 173.367 174.900 0.252 0.000 1.286 469 G CA -0.728 44.597 45.100 0.374 0.000 0.865 469 G HN 0.362 nan 8.290 nan 0.000 0.506 470 L N -0.263 121.008 121.223 0.081 0.000 2.354 470 L HA 0.797 5.174 4.340 0.061 0.000 0.269 470 L C -0.584 176.283 176.870 -0.005 0.000 1.005 470 L CA -1.212 53.617 54.840 -0.018 0.000 0.819 470 L CB 2.275 44.272 42.059 -0.104 0.000 1.311 470 L HN 0.370 nan 8.230 nan 0.000 0.423 471 V N 2.365 122.271 119.914 -0.014 0.000 2.524 471 V HA 0.332 4.489 4.120 0.061 0.000 0.297 471 V C -0.279 175.816 176.094 0.003 0.000 1.035 471 V CA -0.665 61.639 62.300 0.005 0.000 0.867 471 V CB 1.439 33.273 31.823 0.018 0.000 1.004 471 V HN 0.895 nan 8.190 nan 0.000 0.426 472 N N 3.844 122.549 118.700 0.008 0.000 2.754 472 N HA -0.200 4.577 4.740 0.061 0.000 0.248 472 N C 1.187 176.706 175.510 0.015 0.000 1.093 472 N CA 1.595 54.653 53.050 0.014 0.000 0.699 472 N CB -1.083 37.414 38.487 0.017 0.000 1.016 472 N HN 1.598 nan 8.380 nan 0.000 0.552 473 G N -1.482 107.321 108.800 0.006 0.000 2.189 473 G HA2 -0.322 3.675 3.960 0.061 0.000 0.267 473 G HA3 -0.322 3.675 3.960 0.061 0.000 0.267 473 G C 0.001 174.883 174.900 -0.030 0.000 0.975 473 G CA 0.809 45.922 45.100 0.022 0.000 0.644 473 G HN 0.446 nan 8.290 nan 0.000 0.537 474 L N 0.244 121.414 121.223 -0.088 0.000 2.334 474 L HA 0.541 4.917 4.340 0.061 0.000 0.273 474 L C -2.228 174.483 176.870 -0.265 0.000 1.013 474 L CA -2.648 52.078 54.840 -0.190 0.000 0.816 474 L CB 2.100 44.126 42.059 -0.054 0.000 1.278 474 L HN -0.187 nan 8.230 nan 0.000 0.431 475 P HA 0.121 nan 4.420 nan 0.000 0.271 475 P C -1.189 176.047 177.300 -0.106 0.000 1.218 475 P CA -0.210 62.732 63.100 -0.263 0.000 0.780 475 P CB 0.946 32.406 31.700 -0.400 0.000 0.901 476 V N -0.228 119.639 119.914 -0.078 0.000 2.876 476 V HA 0.978 5.135 4.120 0.061 0.000 0.312 476 V C -0.225 175.784 176.094 -0.142 0.000 1.085 476 V CA -0.848 61.397 62.300 -0.091 0.000 0.945 476 V CB 1.950 33.744 31.823 -0.047 0.000 1.017 476 V HN 0.639 nan 8.190 nan 0.000 0.428 477 G N 2.755 111.437 108.800 -0.197 0.000 2.524 477 G HA2 0.670 4.667 3.960 0.061 0.000 0.310 477 G HA3 0.670 4.667 3.960 0.061 0.000 0.310 477 G C -1.149 173.608 174.900 -0.238 0.000 1.279 477 G CA -0.956 44.012 45.100 -0.219 0.000 0.974 477 G HN 1.094 nan 8.290 nan 0.000 0.484 478 M N 2.326 121.777 119.600 -0.248 0.000 2.336 478 M HA 0.670 5.186 4.480 0.061 0.000 0.342 478 M C -0.550 175.568 176.300 -0.302 0.000 1.128 478 M CA -0.765 54.350 55.300 -0.308 0.000 1.016 478 M CB 1.675 34.015 32.600 -0.433 0.000 1.665 478 M HN 0.516 nan 8.290 nan 0.000 0.445 479 M N 6.072 125.489 119.600 -0.305 0.000 2.205 479 M HA 0.520 5.037 4.480 0.061 0.000 0.344 479 M C -1.813 174.303 176.300 -0.307 0.000 1.085 479 M CA -0.446 54.678 55.300 -0.293 0.000 1.001 479 M CB 0.895 33.320 32.600 -0.291 0.000 1.626 479 M HN 0.701 nan 8.290 nan 0.000 0.442 480 I N 4.301 124.701 120.570 -0.284 0.000 2.362 480 I HA 0.409 4.615 4.170 0.061 0.000 0.289 480 I C -0.570 175.353 176.117 -0.324 0.000 0.994 480 I CA -0.466 60.672 61.300 -0.269 0.000 1.158 480 I CB 1.977 39.862 38.000 -0.191 0.000 1.315 480 I HN 0.601 nan 8.210 nan 0.000 0.451 481 T N 4.090 118.401 114.554 -0.404 0.000 2.861 481 T HA 0.711 5.098 4.350 0.061 0.000 0.287 481 T C 0.083 174.580 174.700 -0.339 0.000 1.003 481 T CA -0.644 61.134 62.100 -0.536 0.000 0.977 481 T CB 2.084 70.285 68.868 -1.111 0.000 0.996 481 T HN 0.831 nan 8.240 nan 0.000 0.448 482 G N 1.202 109.864 108.800 -0.229 0.000 3.086 482 G HA2 0.642 4.638 3.960 0.061 0.000 0.282 482 G HA3 0.642 4.638 3.960 0.061 0.000 0.282 482 G C -0.899 174.037 174.900 0.060 0.000 1.343 482 G CA -1.016 44.042 45.100 -0.070 0.000 0.895 482 G HN 0.636 nan 8.290 nan 0.000 0.557 483 R N -0.472 120.109 120.500 0.135 0.000 2.694 483 R HA 0.195 4.572 4.340 0.061 0.000 0.268 483 R C -0.408 175.975 176.300 0.138 0.000 1.061 483 R CA -0.264 55.979 56.100 0.237 0.000 1.133 483 R CB 0.124 30.545 30.300 0.203 0.000 1.020 483 R HN 0.559 nan 8.270 nan 0.000 0.475 484 H N 1.945 121.010 119.070 -0.009 0.000 3.094 484 H HA -0.077 4.514 4.556 0.060 0.000 0.320 484 H C 0.031 175.337 175.328 -0.037 0.000 1.000 484 H CA 1.113 57.038 56.048 -0.205 0.000 1.413 484 H CB -0.064 29.566 29.762 -0.220 0.000 1.405 484 H HN 0.524 nan 8.280 nan 0.000 0.586 485 F N -0.010 120.028 119.950 0.147 0.000 3.034 485 F HA -0.256 4.307 4.527 0.060 0.000 0.286 485 F C 0.916 176.804 175.800 0.146 0.000 0.804 485 F CA 1.041 59.129 58.000 0.146 0.000 1.161 485 F CB -1.377 37.707 39.000 0.139 0.000 1.317 485 F HN 0.560 nan 8.300 nan 0.000 0.453 486 D N 0.022 120.544 120.400 0.203 0.000 2.755 486 D HA 0.199 4.875 4.640 0.061 0.000 0.257 486 D C 1.110 177.496 176.300 0.142 0.000 1.291 486 D CA 0.117 54.221 54.000 0.174 0.000 0.836 486 D CB -0.099 40.781 40.800 0.132 0.000 1.059 486 D HN 0.263 nan 8.370 nan 0.000 0.486 487 D N -0.192 120.313 120.400 0.175 0.000 2.182 487 D HA -0.158 4.519 4.640 0.061 0.000 0.201 487 D C 2.044 178.398 176.300 0.090 0.000 0.986 487 D CA 1.325 55.386 54.000 0.100 0.000 0.847 487 D CB 0.143 40.946 40.800 0.006 0.000 0.942 487 D HN 0.341 nan 8.370 nan 0.000 0.467 488 A N 0.135 123.115 122.820 0.266 0.000 1.883 488 A HA -0.217 4.140 4.320 0.061 0.000 0.217 488 A C 2.321 179.967 177.584 0.103 0.000 1.186 488 A CA 2.094 54.276 52.037 0.241 0.000 0.624 488 A CB -1.030 18.089 19.000 0.200 0.000 0.822 488 A HN 0.220 nan 8.150 nan 0.000 0.444 489 T N -0.484 114.121 114.554 0.086 0.000 2.821 489 T HA -0.081 4.306 4.350 0.061 0.000 0.267 489 T C 1.873 176.588 174.700 0.025 0.000 1.046 489 T CA 1.393 63.525 62.100 0.054 0.000 1.139 489 T CB -0.376 68.526 68.868 0.057 0.000 0.871 489 T HN 0.150 nan 8.240 nan 0.000 0.454 490 V N 1.563 121.485 119.914 0.013 0.000 2.295 490 V HA -0.132 4.025 4.120 0.061 0.000 0.246 490 V C 2.466 178.533 176.094 -0.045 0.000 1.049 490 V CA 1.530 63.818 62.300 -0.021 0.000 1.024 490 V CB -0.659 31.162 31.823 -0.002 0.000 0.648 490 V HN 0.428 nan 8.190 nan 0.000 0.447 491 L N -0.489 120.687 121.223 -0.079 0.000 2.046 491 L HA -0.179 4.197 4.340 0.061 0.000 0.208 491 L C 2.709 179.568 176.870 -0.019 0.000 1.077 491 L CA 1.882 56.660 54.840 -0.103 0.000 0.747 491 L CB -0.613 41.355 42.059 -0.153 0.000 0.896 491 L HN 0.251 nan 8.230 nan 0.000 0.432 492 R N 0.019 120.527 120.500 0.012 0.000 2.083 492 R HA -0.160 4.217 4.340 0.061 0.000 0.237 492 R C 2.212 178.536 176.300 0.039 0.000 1.137 492 R CA 1.695 57.816 56.100 0.035 0.000 0.951 492 R CB -0.274 30.051 30.300 0.042 0.000 0.851 492 R HN 0.125 nan 8.270 nan 0.000 0.434 493 V N 0.336 120.268 119.914 0.029 0.000 2.343 493 V HA -0.164 3.993 4.120 0.061 0.000 0.247 493 V C 2.368 178.500 176.094 0.064 0.000 1.051 493 V CA 2.057 64.379 62.300 0.037 0.000 1.036 493 V CB -0.871 30.955 31.823 0.005 0.000 0.654 493 V HN 0.698 nan 8.190 nan 0.000 0.451 494 G N -0.087 108.736 108.800 0.039 0.000 2.418 494 G HA2 -0.308 3.688 3.960 0.061 0.000 0.217 494 G HA3 -0.308 3.688 3.960 0.061 0.000 0.217 494 G C 1.671 176.644 174.900 0.121 0.000 1.158 494 G CA 0.948 46.093 45.100 0.075 0.000 0.771 494 G HN 0.415 nan 8.290 nan 0.000 0.545 495 R N 1.293 121.838 120.500 0.075 0.000 2.075 495 R HA 0.139 4.515 4.340 0.061 0.000 0.232 495 R C 2.734 179.077 176.300 0.071 0.000 1.126 495 R CA 1.812 57.954 56.100 0.071 0.000 0.963 495 R CB -1.048 29.289 30.300 0.063 0.000 0.858 495 R HN 0.223 nan 8.270 nan 0.000 0.435 496 A N -0.179 122.691 122.820 0.082 0.000 1.908 496 A HA -0.162 4.195 4.320 0.061 0.000 0.218 496 A C 2.268 179.913 177.584 0.102 0.000 1.181 496 A CA 1.533 53.617 52.037 0.079 0.000 0.627 496 A CB -0.965 18.084 19.000 0.081 0.000 0.818 496 A HN 0.524 nan 8.150 nan 0.000 0.445 497 F N 0.794 120.746 119.950 0.003 0.000 2.134 497 F HA -0.170 4.394 4.527 0.061 0.000 0.299 497 F C 2.243 178.052 175.800 0.015 0.000 1.097 497 F CA 2.111 60.113 58.000 0.004 0.000 1.264 497 F CB -0.109 38.883 39.000 -0.014 0.000 1.001 497 F HN 0.333 nan 8.300 nan 0.000 0.479 498 E N 0.312 120.433 120.200 -0.133 0.000 2.110 498 E HA -0.234 4.153 4.350 0.061 0.000 0.193 498 E C 2.063 178.558 176.600 -0.175 0.000 0.988 498 E CA 1.412 57.686 56.400 -0.210 0.000 0.804 498 E CB -0.119 29.564 29.700 -0.027 0.000 0.745 498 E HN 0.481 nan 8.360 nan 0.000 0.458 499 K N 0.497 120.840 120.400 -0.094 0.000 2.057 499 K HA -0.155 4.202 4.320 0.061 0.000 0.207 499 K C 2.147 178.693 176.600 -0.089 0.000 1.049 499 K CA 0.792 57.041 56.287 -0.063 0.000 0.931 499 K CB -0.135 32.352 32.500 -0.023 0.000 0.714 499 K HN 0.010 nan 8.250 nan 0.000 0.440 500 L N 1.340 122.494 121.223 -0.115 0.000 2.056 500 L HA -0.100 4.277 4.340 0.061 0.000 0.207 500 L C 2.284 179.053 176.870 -0.169 0.000 1.078 500 L CA 1.611 56.389 54.840 -0.103 0.000 0.749 500 L CB -0.315 41.712 42.059 -0.052 0.000 0.901 500 L HN 0.036 nan 8.230 nan 0.000 0.433 501 R N -0.143 120.142 120.500 -0.359 0.000 2.115 501 R HA 0.093 4.469 4.340 0.061 0.000 0.230 501 R C 0.708 176.906 176.300 -0.170 0.000 1.111 501 R CA 0.836 56.715 56.100 -0.368 0.000 0.976 501 R CB -0.318 29.517 30.300 -0.775 0.000 0.870 501 R HN 0.565 nan 8.270 nan 0.000 0.445 502 G N -0.801 107.916 108.800 -0.137 0.000 2.746 502 G HA2 -0.136 3.860 3.960 0.061 0.000 0.685 502 G HA3 -0.136 3.860 3.960 0.061 0.000 0.685 502 G C -0.581 174.309 174.900 -0.015 0.000 1.350 502 G CA -0.394 44.670 45.100 -0.061 0.000 0.837 502 G HN 0.534 nan 8.290 nan 0.000 0.564 503 A N -0.018 122.808 122.820 0.009 0.000 2.565 503 A HA 0.452 4.808 4.320 0.061 0.000 0.237 503 A C 0.097 177.738 177.584 0.096 0.000 1.053 503 A CA 0.955 53.025 52.037 0.055 0.000 0.755 503 A CB 0.068 19.088 19.000 0.034 0.000 0.980 503 A HN 1.897 nan 8.150 nan 0.000 0.506 504 F N 5.339 125.303 119.950 0.023 0.000 2.410 504 F HA 0.499 5.062 4.527 0.061 0.000 0.349 504 F C -1.396 174.476 175.800 0.120 0.000 1.117 504 F CA -2.155 55.882 58.000 0.062 0.000 1.104 504 F CB 1.007 40.048 39.000 0.070 0.000 1.122 504 F HN 0.523 nan 8.300 nan 0.000 0.483 505 P HA 0.019 nan 4.420 nan 0.000 0.266 505 P C -0.757 176.657 177.300 0.189 0.000 1.193 505 P CA -0.071 62.983 63.100 -0.078 0.000 0.770 505 P CB 0.642 32.267 31.700 -0.124 0.000 0.836 506 T N 3.869 118.449 114.554 0.044 0.000 2.875 506 T HA 0.255 4.642 4.350 0.061 0.000 0.284 506 T C -1.171 173.189 174.700 -0.567 0.000 0.995 506 T CA -1.276 60.769 62.100 -0.092 0.000 1.060 506 T CB 1.163 69.985 68.868 -0.077 0.000 0.967 506 T HN 0.369 nan 8.240 nan 0.000 0.476 507 P HA -0.087 nan 4.420 nan 0.000 0.222 507 P C 0.706 177.609 177.300 -0.662 0.000 1.142 507 P CA 0.570 62.714 63.100 -1.593 0.000 0.788 507 P CB 0.031 30.747 31.700 -1.640 0.000 0.767 508 A N -0.423 122.148 122.820 -0.415 0.000 2.281 508 A HA 0.066 4.423 4.320 0.061 0.000 0.231 508 A C 0.589 178.069 177.584 -0.174 0.000 1.317 508 A CA 0.236 52.136 52.037 -0.230 0.000 0.959 508 A CB -0.722 18.183 19.000 -0.157 0.000 0.900 508 A HN 0.255 nan 8.150 nan 0.000 0.497 509 E N 0.000 120.077 120.200 -0.205 0.000 2.725 509 E HA 0.000 4.386 4.350 0.061 0.000 0.291 509 E CA 0.000 56.332 56.400 -0.114 0.000 0.976 509 E CB 0.000 29.647 29.700 -0.088 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440