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 1ya0_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSLQSAQYLR QAEVLKADMT DSKLGPAEVW TSRQALQDLY QKMLVTDLEY DATA SEQUENCE ALDKKVEQDL WNHAFKNQIT TLQGQAKNRA NPNRSEVQAN LSLFLEAASG DATA SEQUENCE FYTQLLQELC TVFNVDLPCX XXXXXXXXXX XXXXXXXXXX XPQSSSCSYI DATA SEQUENCE CQHCLVHLGD IARYRNQTSQ AESYYRHAAQ LVPSNGQPYN QLAILASSKG DATA SEQUENCE DHLTTIFYYC RSIAVKFPFP AASTNLQKAL SKALESRDEV KTKWGVSDFI DATA SEQUENCE KAFIKFHGHV YLSKSLEKLS PLREKLEEQF KELLFQKAFN SQQLVHVTVI DATA SEQUENCE NLFQLHHLRD FSNETEQHTY SQDEQLCWTQ LLALFMSFLG ILCKCPLQNX DATA SEQUENCE XXEESYNAYP LPAVKVSMDW LRLRPRVFQE AVVDERQYIW PWLISLLNSF DATA SEQUENCE HPHEEDLSSI SATPLPEEFE LQGFLALRPS FRNLDFSKXX XXXXXXKEGQ DATA SEQUENCE QRRIRQQRLI SIGKWIADNQ PRLIQCENEV GKLLFITEIP ELILEDP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.196 176.300 -0.173 0.000 1.140 1 M CA 0.000 55.256 55.300 -0.073 0.000 0.988 1 M CB 0.000 32.562 32.600 -0.064 0.000 1.302 2 S N 1.514 117.121 115.700 -0.155 0.000 2.389 2 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 2 S C 1.407 175.840 174.600 -0.278 0.000 1.048 2 S CA 2.692 60.755 58.200 -0.227 0.000 1.117 2 S CB -0.533 62.614 63.200 -0.089 0.000 1.020 2 S HN 0.659 nan 8.310 nan 0.000 0.430 3 L N 0.685 121.797 121.223 -0.185 0.000 2.013 3 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 3 L C 2.973 179.679 176.870 -0.272 0.000 1.073 3 L CA 2.080 56.811 54.840 -0.181 0.000 0.753 3 L CB -0.756 41.227 42.059 -0.125 0.000 0.890 3 L HN 0.410 nan 8.230 nan 0.000 0.432 4 Q N -0.010 119.596 119.800 -0.323 0.000 2.050 4 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 4 Q C 2.325 177.844 176.000 -0.801 0.000 0.980 4 Q CA 2.251 57.730 55.803 -0.539 0.000 0.840 4 Q CB -0.174 28.316 28.738 -0.413 0.000 0.898 4 Q HN 0.360 nan 8.270 nan 0.000 0.424 5 S N 0.077 115.448 115.700 -0.547 0.000 2.382 5 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 5 S C 1.908 176.306 174.600 -0.337 0.000 1.027 5 S CA 0.959 58.889 58.200 -0.450 0.000 0.991 5 S CB -0.573 62.100 63.200 -0.877 0.000 0.823 5 S HN 0.582 nan 8.310 nan 0.000 0.469 6 A N 1.449 124.049 122.820 -0.367 0.000 1.902 6 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 6 A C 2.137 179.700 177.584 -0.034 0.000 1.181 6 A CA 1.742 53.722 52.037 -0.095 0.000 0.623 6 A CB -0.714 18.237 19.000 -0.081 0.000 0.818 6 A HN 0.605 nan 8.150 nan 0.000 0.443 7 Q N -1.364 118.352 119.800 -0.141 0.000 2.079 7 Q HA -0.196 4.144 4.340 -0.000 0.000 0.200 7 Q C 1.862 177.898 176.000 0.060 0.000 0.974 7 Q CA 1.696 57.452 55.803 -0.079 0.000 0.840 7 Q CB -0.389 28.250 28.738 -0.164 0.000 0.898 7 Q HN 0.806 nan 8.270 nan 0.000 0.430 8 Y N -0.023 120.279 120.300 0.003 0.000 2.128 8 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 8 Y C 2.355 178.286 175.900 0.051 0.000 1.154 8 Y CA 0.407 58.520 58.100 0.022 0.000 1.149 8 Y CB -0.029 38.458 38.460 0.044 0.000 0.976 8 Y HN 0.241 nan 8.280 nan 0.000 0.505 9 L N 0.526 121.918 121.223 0.282 0.000 2.017 9 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 9 L C 2.392 179.345 176.870 0.138 0.000 1.073 9 L CA 1.623 56.610 54.840 0.244 0.000 0.745 9 L CB -0.550 41.691 42.059 0.304 0.000 0.894 9 L HN 0.029 nan 8.230 nan 0.000 0.432 10 R N -1.049 119.515 120.500 0.106 0.000 2.083 10 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 10 R C 2.245 178.566 176.300 0.033 0.000 1.137 10 R CA 2.013 58.149 56.100 0.059 0.000 0.951 10 R CB -0.295 30.030 30.300 0.041 0.000 0.851 10 R HN 0.558 nan 8.270 nan 0.000 0.434 11 Q N -0.540 119.285 119.800 0.041 0.000 2.170 11 Q HA -0.118 4.222 4.340 -0.000 0.000 0.203 11 Q C 2.053 178.020 176.000 -0.055 0.000 0.976 11 Q CA 1.412 57.217 55.803 0.003 0.000 0.858 11 Q CB -0.088 28.667 28.738 0.028 0.000 0.907 11 Q HN 0.361 nan 8.270 nan 0.000 0.433 12 A N 1.325 124.105 122.820 -0.067 0.000 1.930 12 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 12 A C 1.936 179.453 177.584 -0.113 0.000 1.175 12 A CA 1.366 53.295 52.037 -0.180 0.000 0.627 12 A CB -0.406 18.468 19.000 -0.211 0.000 0.815 12 A HN 0.418 nan 8.150 nan 0.000 0.443 13 E N 0.011 120.188 120.200 -0.038 0.000 2.110 13 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 13 E C 1.789 178.352 176.600 -0.062 0.000 0.988 13 E CA 1.524 57.903 56.400 -0.035 0.000 0.804 13 E CB -0.104 29.594 29.700 -0.003 0.000 0.745 13 E HN 0.392 nan 8.360 nan 0.000 0.458 14 V N 1.153 121.032 119.914 -0.058 0.000 2.283 14 V HA -0.249 3.871 4.120 -0.000 0.000 0.243 14 V C 2.514 178.557 176.094 -0.085 0.000 1.039 14 V CA 1.439 63.703 62.300 -0.060 0.000 1.016 14 V CB -0.614 31.181 31.823 -0.047 0.000 0.650 14 V HN 0.315 nan 8.190 nan 0.000 0.449 15 L N 0.799 121.955 121.223 -0.112 0.000 2.043 15 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 15 L C 2.667 179.450 176.870 -0.145 0.000 1.075 15 L CA 2.398 57.155 54.840 -0.138 0.000 0.752 15 L CB -0.710 41.235 42.059 -0.190 0.000 0.891 15 L HN 0.510 nan 8.230 nan 0.000 0.432 16 K N 0.036 120.337 120.400 -0.165 0.000 2.366 16 K HA -0.002 4.318 4.320 -0.000 0.000 0.198 16 K C 1.902 178.398 176.600 -0.174 0.000 1.044 16 K CA 0.979 57.149 56.287 -0.195 0.000 0.973 16 K CB -0.089 32.227 32.500 -0.305 0.000 0.767 16 K HN 0.182 nan 8.250 nan 0.000 0.475 17 A N 1.901 124.647 122.820 -0.123 0.000 1.930 17 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 17 A C 1.427 178.973 177.584 -0.064 0.000 1.176 17 A CA 1.368 53.355 52.037 -0.084 0.000 0.632 17 A CB -0.327 18.637 19.000 -0.061 0.000 0.819 17 A HN 0.271 nan 8.150 nan 0.000 0.445 18 D N -0.291 120.068 120.400 -0.069 0.000 2.265 18 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 18 D C 1.696 177.967 176.300 -0.050 0.000 0.977 18 D CA 0.906 54.873 54.000 -0.055 0.000 0.871 18 D CB -0.182 40.580 40.800 -0.064 0.000 0.925 18 D HN 0.262 nan 8.370 nan 0.000 0.485 19 M N -0.439 119.126 119.600 -0.057 0.000 2.476 19 M HA -0.015 4.465 4.480 -0.000 0.000 0.262 19 M C 0.824 177.110 176.300 -0.022 0.000 1.079 19 M CA 0.960 56.235 55.300 -0.040 0.000 1.104 19 M CB -0.601 31.983 32.600 -0.027 0.000 1.409 19 M HN -0.164 nan 8.290 nan 0.000 0.467 20 T N -0.798 113.743 114.554 -0.022 0.000 3.415 20 T HA 0.137 4.487 4.350 -0.000 0.000 0.282 20 T C -0.340 174.352 174.700 -0.015 0.000 1.007 20 T CA -0.447 61.646 62.100 -0.012 0.000 0.958 20 T CB 0.057 68.925 68.868 -0.000 0.000 1.171 20 T HN 0.101 nan 8.240 nan 0.000 0.500 21 D N 1.494 121.884 120.400 -0.017 0.000 2.485 21 D HA 0.272 4.912 4.640 -0.000 0.000 0.229 21 D C 1.614 177.907 176.300 -0.011 0.000 1.101 21 D CA -0.297 53.694 54.000 -0.015 0.000 0.906 21 D CB 0.726 41.515 40.800 -0.018 0.000 1.019 21 D HN 0.106 nan 8.370 nan 0.000 0.516 22 S N 3.571 119.265 115.700 -0.010 0.000 2.441 22 S HA -0.336 4.134 4.470 -0.000 0.000 0.249 22 S C 1.092 175.688 174.600 -0.007 0.000 1.097 22 S CA 1.154 59.349 58.200 -0.009 0.000 1.080 22 S CB -0.478 62.717 63.200 -0.008 0.000 0.914 22 S HN 0.526 nan 8.310 nan 0.000 0.464 23 K N 1.524 121.920 120.400 -0.007 0.000 3.165 23 K HA 0.423 4.743 4.320 -0.000 0.000 0.259 23 K C -0.862 175.736 176.600 -0.004 0.000 1.282 23 K CA -0.024 56.260 56.287 -0.005 0.000 1.259 23 K CB -0.149 32.348 32.500 -0.005 0.000 1.546 23 K HN 0.425 nan 8.250 nan 0.000 0.384 24 L N 0.194 121.415 121.223 -0.003 0.000 2.385 24 L HA 0.419 4.759 4.340 -0.000 0.000 0.273 24 L C 0.537 177.412 176.870 0.008 0.000 0.990 24 L CA -1.034 53.807 54.840 0.001 0.000 0.821 24 L CB 1.962 44.020 42.059 -0.001 0.000 1.279 24 L HN 0.240 nan 8.230 nan 0.000 0.412 25 G N 2.207 111.015 108.800 0.013 0.000 2.507 25 G HA2 0.379 4.339 3.960 -0.000 0.000 0.271 25 G HA3 0.379 4.339 3.960 -0.000 0.000 0.271 25 G C -2.160 172.762 174.900 0.037 0.000 1.189 25 G CA -1.021 44.090 45.100 0.019 0.000 0.859 25 G HN 0.385 nan 8.290 nan 0.000 0.542 26 P HA -0.208 nan 4.420 nan 0.000 0.211 26 P C 2.320 179.695 177.300 0.126 0.000 1.181 26 P CA 2.550 65.692 63.100 0.069 0.000 0.929 26 P CB 0.109 31.825 31.700 0.027 0.000 0.789 27 A N -0.383 122.490 122.820 0.087 0.000 1.958 27 A HA -0.311 4.009 4.320 -0.000 0.000 0.221 27 A C 2.067 179.749 177.584 0.164 0.000 1.178 27 A CA 2.176 54.289 52.037 0.127 0.000 0.642 27 A CB -1.360 17.676 19.000 0.060 0.000 0.816 27 A HN 0.267 nan 8.150 nan 0.000 0.453 28 E N -0.459 119.800 120.200 0.097 0.000 2.001 28 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 28 E C 1.970 178.611 176.600 0.068 0.000 1.002 28 E CA 1.386 57.825 56.400 0.065 0.000 0.819 28 E CB -0.524 29.196 29.700 0.034 0.000 0.769 28 E HN 0.341 nan 8.360 nan 0.000 0.454 29 V N 1.524 121.479 119.914 0.069 0.000 2.370 29 V HA -0.273 3.847 4.120 -0.000 0.000 0.252 29 V C 1.974 178.104 176.094 0.060 0.000 1.068 29 V CA 1.818 64.146 62.300 0.047 0.000 1.061 29 V CB -0.724 31.133 31.823 0.057 0.000 0.656 29 V HN 0.503 nan 8.190 nan 0.000 0.455 30 W N 1.106 122.393 121.300 -0.022 0.000 2.379 30 W HA -0.193 4.467 4.660 -0.000 0.000 0.307 30 W C 2.330 178.832 176.519 -0.029 0.000 1.200 30 W CA 2.133 59.469 57.345 -0.015 0.000 1.297 30 W CB -0.415 29.045 29.460 0.000 0.000 1.140 30 W HN 0.344 nan 8.180 nan 0.000 0.507 31 T N 0.315 114.899 114.554 0.050 0.000 2.867 31 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 31 T C 1.961 176.574 174.700 -0.146 0.000 1.057 31 T CA 1.729 63.804 62.100 -0.041 0.000 1.136 31 T CB -0.425 68.470 68.868 0.045 0.000 0.874 31 T HN 0.024 nan 8.240 nan 0.000 0.466 32 S N 0.599 116.222 115.700 -0.129 0.000 2.387 32 S HA 0.015 4.485 4.470 -0.000 0.000 0.226 32 S C 2.127 176.586 174.600 -0.236 0.000 1.026 32 S CA 0.572 58.681 58.200 -0.151 0.000 0.972 32 S CB -0.151 62.985 63.200 -0.106 0.000 0.814 32 S HN 0.366 nan 8.310 nan 0.000 0.477 33 R N 0.829 121.139 120.500 -0.318 0.000 2.092 33 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 33 R C 2.226 178.233 176.300 -0.489 0.000 1.119 33 R CA 1.075 56.922 56.100 -0.421 0.000 0.970 33 R CB -0.121 29.868 30.300 -0.519 0.000 0.864 33 R HN 0.335 nan 8.270 nan 0.000 0.440 34 Q N -0.125 119.358 119.800 -0.528 0.000 2.046 34 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 34 Q C 2.057 177.904 176.000 -0.254 0.000 0.975 34 Q CA 1.647 57.207 55.803 -0.405 0.000 0.836 34 Q CB -0.465 28.065 28.738 -0.346 0.000 0.896 34 Q HN 0.344 nan 8.270 nan 0.000 0.428 35 A N 0.978 123.664 122.820 -0.224 0.000 1.908 35 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 35 A C 2.157 179.608 177.584 -0.221 0.000 1.181 35 A CA 1.409 53.339 52.037 -0.178 0.000 0.627 35 A CB -0.697 18.212 19.000 -0.150 0.000 0.818 35 A HN 0.311 nan 8.150 nan 0.000 0.445 36 L N -0.113 120.947 121.223 -0.272 0.000 1.994 36 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 36 L C 2.549 179.248 176.870 -0.284 0.000 1.071 36 L CA 2.417 57.046 54.840 -0.352 0.000 0.745 36 L CB -1.004 40.868 42.059 -0.311 0.000 0.892 36 L HN 0.532 nan 8.230 nan 0.000 0.431 37 Q N -0.653 118.997 119.800 -0.250 0.000 2.014 37 Q HA -0.248 4.092 4.340 -0.000 0.000 0.207 37 Q C 1.923 177.966 176.000 0.072 0.000 0.993 37 Q CA 2.049 57.741 55.803 -0.185 0.000 0.850 37 Q CB -0.333 28.136 28.738 -0.448 0.000 0.916 37 Q HN 0.552 nan 8.270 nan 0.000 0.417 38 D N 0.441 120.850 120.400 0.014 0.000 2.104 38 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 38 D C 1.894 178.176 176.300 -0.030 0.000 0.994 38 D CA 0.813 54.833 54.000 0.034 0.000 0.830 38 D CB -0.283 40.502 40.800 -0.026 0.000 0.959 38 D HN 0.091 nan 8.370 nan 0.000 0.452 39 L N 0.149 121.296 121.223 -0.125 0.000 1.989 39 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 39 L C 2.232 179.049 176.870 -0.089 0.000 1.071 39 L CA 1.639 56.353 54.840 -0.209 0.000 0.749 39 L CB -1.077 40.803 42.059 -0.297 0.000 0.890 39 L HN 0.144 nan 8.230 nan 0.000 0.431 40 Y N -0.709 119.591 120.300 -0.002 0.000 2.274 40 Y HA -0.309 4.241 4.550 -0.000 0.000 0.290 40 Y C 2.817 178.779 175.900 0.103 0.000 1.145 40 Y CA 1.158 59.300 58.100 0.069 0.000 1.203 40 Y CB -0.035 38.487 38.460 0.103 0.000 0.984 40 Y HN 0.421 nan 8.280 nan 0.000 0.533 41 Q N 1.104 121.074 119.800 0.282 0.000 2.084 41 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 41 Q C 2.225 178.291 176.000 0.111 0.000 0.978 41 Q CA 1.722 57.649 55.803 0.206 0.000 0.844 41 Q CB -0.073 28.772 28.738 0.179 0.000 0.898 41 Q HN 0.337 nan 8.270 nan 0.000 0.426 42 K N -0.181 120.233 120.400 0.024 0.000 2.097 42 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 42 K C 2.064 178.679 176.600 0.025 0.000 1.049 42 K CA 1.546 57.801 56.287 -0.053 0.000 0.933 42 K CB -0.028 32.317 32.500 -0.258 0.000 0.717 42 K HN 0.262 nan 8.250 nan 0.000 0.442 43 M N 0.507 120.153 119.600 0.076 0.000 2.086 43 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 43 M C 2.171 178.622 176.300 0.253 0.000 1.067 43 M CA 1.539 56.978 55.300 0.231 0.000 1.116 43 M CB -0.339 32.455 32.600 0.322 0.000 1.348 43 M HN 0.162 nan 8.290 nan 0.000 0.407 44 L N -0.524 120.839 121.223 0.232 0.000 2.079 44 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 44 L C 2.360 179.431 176.870 0.335 0.000 1.081 44 L CA 0.920 55.904 54.840 0.239 0.000 0.752 44 L CB -0.647 41.535 42.059 0.204 0.000 0.896 44 L HN 0.146 nan 8.230 nan 0.000 0.433 45 V N -0.761 119.306 119.914 0.256 0.000 2.488 45 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 45 V C 2.604 178.794 176.094 0.159 0.000 1.046 45 V CA 2.063 64.481 62.300 0.197 0.000 1.053 45 V CB -0.528 31.323 31.823 0.045 0.000 0.679 45 V HN 0.661 nan 8.190 nan 0.000 0.458 46 T N -3.052 111.607 114.554 0.175 0.000 3.009 46 T HA -0.014 4.336 4.350 -0.000 0.000 0.258 46 T C 0.799 175.625 174.700 0.210 0.000 1.063 46 T CA 1.065 63.262 62.100 0.162 0.000 1.139 46 T CB 0.130 69.107 68.868 0.180 0.000 0.890 46 T HN 0.357 nan 8.240 nan 0.000 0.471 47 D N -0.046 120.510 120.400 0.259 0.000 2.846 47 D HA 0.242 4.882 4.640 -0.000 0.000 0.279 47 D C 0.733 177.195 176.300 0.270 0.000 1.222 47 D CA -0.483 53.665 54.000 0.246 0.000 0.769 47 D CB 0.409 41.317 40.800 0.181 0.000 1.299 47 D HN 0.082 nan 8.370 nan 0.000 0.537 48 L N 1.480 122.859 121.223 0.259 0.000 1.997 48 L HA -0.154 4.186 4.340 -0.000 0.000 0.216 48 L C 1.921 178.844 176.870 0.088 0.000 1.074 48 L CA 2.009 56.924 54.840 0.125 0.000 0.763 48 L CB -0.148 41.828 42.059 -0.138 0.000 0.890 48 L HN 0.234 nan 8.230 nan 0.000 0.434 49 E N -1.234 119.015 120.200 0.081 0.000 2.114 49 E HA -0.314 4.036 4.350 -0.000 0.000 0.199 49 E C 2.160 178.818 176.600 0.097 0.000 1.008 49 E CA 2.008 58.445 56.400 0.063 0.000 0.810 49 E CB -0.635 29.108 29.700 0.072 0.000 0.739 49 E HN 0.713 nan 8.360 nan 0.000 0.456 50 Y N 0.749 121.078 120.300 0.048 0.000 2.220 50 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 50 Y C 2.265 178.204 175.900 0.065 0.000 1.129 50 Y CA 1.518 59.651 58.100 0.056 0.000 1.161 50 Y CB -0.292 38.213 38.460 0.075 0.000 0.997 50 Y HN 0.018 nan 8.280 nan 0.000 0.522 51 A N 0.614 123.572 122.820 0.230 0.000 1.865 51 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 51 A C 2.265 179.856 177.584 0.011 0.000 1.191 51 A CA 1.999 54.128 52.037 0.153 0.000 0.623 51 A CB -1.201 17.917 19.000 0.197 0.000 0.826 51 A HN 0.549 nan 8.150 nan 0.000 0.444 52 L N -0.516 120.711 121.223 0.006 0.000 1.994 52 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 52 L C 2.499 179.313 176.870 -0.094 0.000 1.071 52 L CA 1.890 56.711 54.840 -0.032 0.000 0.745 52 L CB -0.778 41.259 42.059 -0.037 0.000 0.892 52 L HN 0.537 nan 8.230 nan 0.000 0.431 53 D N 0.218 120.544 120.400 -0.123 0.000 2.190 53 D HA -0.218 4.422 4.640 -0.000 0.000 0.200 53 D C 1.775 177.960 176.300 -0.192 0.000 0.992 53 D CA 1.337 55.240 54.000 -0.161 0.000 0.854 53 D CB 0.118 40.811 40.800 -0.178 0.000 0.936 53 D HN -0.001 nan 8.370 nan 0.000 0.462 54 K N 0.277 120.536 120.400 -0.236 0.000 2.417 54 K HA 0.097 4.417 4.320 -0.000 0.000 0.196 54 K C 0.174 176.726 176.600 -0.079 0.000 1.023 54 K CA -0.062 56.111 56.287 -0.191 0.000 1.122 54 K CB 0.278 32.618 32.500 -0.267 0.000 0.850 54 K HN 0.242 nan 8.250 nan 0.000 0.521 55 K N 0.151 120.509 120.400 -0.069 0.000 3.071 55 K HA -0.156 4.164 4.320 -0.000 0.000 0.265 55 K C 0.895 177.460 176.600 -0.058 0.000 1.060 55 K CA 0.227 56.492 56.287 -0.036 0.000 0.767 55 K CB -2.090 30.406 32.500 -0.007 0.000 1.241 55 K HN -0.092 nan 8.250 nan 0.000 0.486 56 V N 1.209 121.074 119.914 -0.083 0.000 2.295 56 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 56 V C 2.734 178.667 176.094 -0.269 0.000 1.049 56 V CA 2.305 64.478 62.300 -0.212 0.000 1.024 56 V CB -0.295 31.507 31.823 -0.034 0.000 0.648 56 V HN 0.600 nan 8.190 nan 0.000 0.447 57 E N 0.705 120.826 120.200 -0.130 0.000 2.160 57 E HA -0.309 4.041 4.350 -0.000 0.000 0.195 57 E C 1.923 178.546 176.600 0.039 0.000 0.991 57 E CA 1.880 58.196 56.400 -0.140 0.000 0.810 57 E CB -0.430 28.957 29.700 -0.522 0.000 0.742 57 E HN 0.738 nan 8.360 nan 0.000 0.466 58 Q N 0.321 120.150 119.800 0.049 0.000 2.083 58 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 58 Q C 1.861 177.965 176.000 0.174 0.000 0.969 58 Q CA 1.418 57.341 55.803 0.199 0.000 0.838 58 Q CB 0.044 28.872 28.738 0.149 0.000 0.900 58 Q HN 0.299 nan 8.270 nan 0.000 0.436 59 D N 0.763 121.181 120.400 0.030 0.000 2.144 59 D HA -0.125 4.514 4.640 -0.000 0.000 0.200 59 D C 1.865 178.216 176.300 0.084 0.000 0.978 59 D CA 0.564 54.625 54.000 0.102 0.000 0.833 59 D CB -0.097 40.755 40.800 0.086 0.000 0.961 59 D HN 0.088 nan 8.370 nan 0.000 0.470 60 L N 0.472 121.611 121.223 -0.140 0.000 1.989 60 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 60 L C 2.133 179.250 176.870 0.412 0.000 1.071 60 L CA 1.774 56.689 54.840 0.125 0.000 0.749 60 L CB -0.841 41.318 42.059 0.167 0.000 0.890 60 L HN 0.257 nan 8.230 nan 0.000 0.431 61 W N 0.518 121.986 121.300 0.280 0.000 2.332 61 W HA -0.288 4.372 4.660 -0.000 0.000 0.321 61 W C 2.279 178.906 176.519 0.180 0.000 1.219 61 W CA 1.838 59.346 57.345 0.271 0.000 1.277 61 W CB -0.274 29.222 29.460 0.060 0.000 1.161 61 W HN 0.327 nan 8.180 nan 0.000 0.476 62 N N -0.469 118.212 118.700 -0.031 0.000 2.058 62 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 62 N C 1.428 176.759 175.510 -0.298 0.000 1.037 62 N CA 1.642 54.514 53.050 -0.297 0.000 0.848 62 N CB -1.237 37.083 38.487 -0.278 0.000 1.021 62 N HN 0.331 nan 8.380 nan 0.000 0.422 63 H N 0.137 119.197 119.070 -0.017 0.000 2.470 63 H HA 0.189 4.745 4.556 -0.000 0.000 0.289 63 H C 1.554 176.810 175.328 -0.120 0.000 1.033 63 H CA 1.006 57.033 56.048 -0.034 0.000 1.331 63 H CB 0.195 29.987 29.762 0.049 0.000 1.414 63 H HN 0.244 nan 8.280 nan 0.000 0.545 64 A N -0.689 122.075 122.820 -0.094 0.000 2.063 64 A HA 0.196 4.516 4.320 -0.000 0.000 0.211 64 A C 1.337 178.484 177.584 -0.728 0.000 1.177 64 A CA 0.239 51.992 52.037 -0.472 0.000 0.759 64 A CB 0.140 18.720 19.000 -0.699 0.000 0.857 64 A HN 0.172 nan 8.150 nan 0.000 0.468 65 F N -1.672 118.202 119.950 -0.126 0.000 2.182 65 F HA 0.243 4.770 4.527 -0.000 0.000 0.254 65 F C 1.783 177.382 175.800 -0.334 0.000 0.972 65 F CA 0.334 58.264 58.000 -0.117 0.000 1.182 65 F CB -0.219 38.628 39.000 -0.255 0.000 1.382 65 F HN -0.083 nan 8.300 nan 0.000 0.718 66 K N 1.307 121.322 120.400 -0.641 0.000 2.077 66 K HA -0.197 4.123 4.320 -0.000 0.000 0.213 66 K C 1.546 177.949 176.600 -0.329 0.000 1.051 66 K CA 2.072 57.951 56.287 -0.679 0.000 0.929 66 K CB -0.570 31.344 32.500 -0.976 0.000 0.715 66 K HN 0.089 nan 8.250 nan 0.000 0.451 67 N N 0.232 118.774 118.700 -0.264 0.000 2.084 67 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 67 N C 1.774 177.172 175.510 -0.188 0.000 1.030 67 N CA 1.499 54.438 53.050 -0.185 0.000 0.849 67 N CB -0.461 37.942 38.487 -0.140 0.000 1.012 67 N HN 0.338 nan 8.380 nan 0.000 0.423 68 Q N 0.828 120.495 119.800 -0.221 0.000 2.119 68 Q HA 0.072 4.412 4.340 -0.000 0.000 0.201 68 Q C 1.980 177.771 176.000 -0.348 0.000 0.972 68 Q CA 1.029 56.629 55.803 -0.337 0.000 0.847 68 Q CB -0.276 28.111 28.738 -0.585 0.000 0.903 68 Q HN 0.399 nan 8.270 nan 0.000 0.433 69 I N -0.310 120.105 120.570 -0.259 0.000 2.127 69 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 69 I C 2.056 178.038 176.117 -0.224 0.000 1.075 69 I CA 1.739 62.921 61.300 -0.198 0.000 1.334 69 I CB -0.577 37.331 38.000 -0.155 0.000 1.040 69 I HN 0.234 nan 8.210 nan 0.000 0.405 70 T N -0.285 114.140 114.554 -0.215 0.000 2.803 70 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 70 T C 1.838 176.457 174.700 -0.135 0.000 1.052 70 T CA 1.906 63.905 62.100 -0.169 0.000 1.136 70 T CB -0.286 68.505 68.868 -0.129 0.000 0.864 70 T HN 0.368 nan 8.240 nan 0.000 0.467 71 T N 1.626 116.092 114.554 -0.147 0.000 2.951 71 T HA 0.169 4.519 4.350 -0.000 0.000 0.268 71 T C 1.815 176.442 174.700 -0.121 0.000 1.073 71 T CA 0.631 62.657 62.100 -0.124 0.000 1.134 71 T CB -0.136 68.653 68.868 -0.133 0.000 0.884 71 T HN 0.281 nan 8.240 nan 0.000 0.479 72 L N 0.165 121.299 121.223 -0.149 0.000 2.202 72 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 72 L C 2.769 179.587 176.870 -0.087 0.000 1.083 72 L CA 0.717 55.484 54.840 -0.122 0.000 0.790 72 L CB -0.437 41.532 42.059 -0.150 0.000 0.942 72 L HN 0.191 nan 8.230 nan 0.000 0.452 73 Q N 0.326 120.064 119.800 -0.102 0.000 2.014 73 Q HA -0.195 4.145 4.340 -0.000 0.000 0.207 73 Q C 2.266 178.233 176.000 -0.055 0.000 0.993 73 Q CA 1.841 57.596 55.803 -0.080 0.000 0.850 73 Q CB -0.573 28.094 28.738 -0.119 0.000 0.916 73 Q HN 0.587 nan 8.270 nan 0.000 0.417 74 G N 0.889 109.653 108.800 -0.059 0.000 2.514 74 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.217 74 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.217 74 G C 1.217 176.096 174.900 -0.034 0.000 1.198 74 G CA 1.085 46.161 45.100 -0.041 0.000 0.780 74 G HN 0.365 nan 8.290 nan 0.000 0.565 75 Q N 0.264 120.039 119.800 -0.042 0.000 2.234 75 Q HA -0.020 4.320 4.340 -0.000 0.000 0.206 75 Q C 2.745 178.730 176.000 -0.026 0.000 0.980 75 Q CA 1.060 56.842 55.803 -0.034 0.000 0.869 75 Q CB -0.247 28.466 28.738 -0.043 0.000 0.912 75 Q HN 0.514 nan 8.270 nan 0.000 0.436 76 A N 0.854 123.659 122.820 -0.026 0.000 2.206 76 A HA -0.042 4.278 4.320 -0.000 0.000 0.211 76 A C 0.768 178.348 177.584 -0.007 0.000 1.158 76 A CA 0.544 52.573 52.037 -0.014 0.000 0.761 76 A CB 0.271 19.264 19.000 -0.012 0.000 0.801 76 A HN 0.073 nan 8.150 nan 0.000 0.473 77 K N 0.373 120.768 120.400 -0.009 0.000 3.206 77 K HA 0.202 4.522 4.320 -0.000 0.000 0.180 77 K C -1.015 175.583 176.600 -0.003 0.000 1.088 77 K CA -0.246 56.039 56.287 -0.002 0.000 0.872 77 K CB 0.201 32.701 32.500 0.001 0.000 0.976 77 K HN 0.185 nan 8.250 nan 0.000 0.564 78 N N 1.374 120.071 118.700 -0.005 0.000 2.827 78 N HA 0.080 4.820 4.740 -0.000 0.000 0.240 78 N C -1.187 174.320 175.510 -0.004 0.000 1.352 78 N CA -0.449 52.598 53.050 -0.005 0.000 0.760 78 N CB 0.678 39.160 38.487 -0.009 0.000 1.426 78 N HN 0.106 nan 8.380 nan 0.000 0.561 79 R N 2.047 122.546 120.500 -0.002 0.000 3.152 79 R HA 0.311 4.651 4.340 -0.000 0.000 0.209 79 R C 0.297 176.595 176.300 -0.002 0.000 1.649 79 R CA 0.553 56.652 56.100 -0.002 0.000 1.185 79 R CB -0.032 30.268 30.300 0.000 0.000 1.258 79 R HN 0.548 nan 8.270 nan 0.000 0.656 80 A N 2.018 124.835 122.820 -0.004 0.000 2.726 80 A HA 0.036 4.356 4.320 -0.000 0.000 0.192 80 A C 0.028 177.608 177.584 -0.007 0.000 1.412 80 A CA -0.433 51.601 52.037 -0.005 0.000 1.073 80 A CB 0.398 19.395 19.000 -0.006 0.000 1.331 80 A HN 0.506 nan 8.150 nan 0.000 0.537 81 N N 0.863 119.558 118.700 -0.008 0.000 2.511 81 N HA 0.511 5.251 4.740 -0.000 0.000 0.249 81 N C -2.238 173.268 175.510 -0.008 0.000 0.971 81 N CA -1.646 51.398 53.050 -0.010 0.000 0.938 81 N CB 2.004 40.483 38.487 -0.012 0.000 1.131 81 N HN -0.075 nan 8.380 nan 0.000 0.505 82 P HA 0.038 nan 4.420 nan 0.000 0.221 82 P C 0.422 177.718 177.300 -0.006 0.000 1.155 82 P CA 0.664 63.761 63.100 -0.006 0.000 0.812 82 P CB 0.369 32.066 31.700 -0.006 0.000 0.801 83 N N -0.386 118.309 118.700 -0.008 0.000 2.512 83 N HA -0.069 4.671 4.740 -0.000 0.000 0.183 83 N C 1.581 177.086 175.510 -0.008 0.000 1.073 83 N CA 0.306 53.350 53.050 -0.009 0.000 0.911 83 N CB -0.396 38.084 38.487 -0.012 0.000 0.964 83 N HN 0.108 nan 8.380 nan 0.000 0.447 84 R N 0.752 121.247 120.500 -0.008 0.000 2.398 84 R HA -0.316 4.024 4.340 -0.000 0.000 0.233 84 R C 2.076 178.375 176.300 -0.003 0.000 1.022 84 R CA 2.459 58.555 56.100 -0.006 0.000 0.855 84 R CB -0.752 29.546 30.300 -0.003 0.000 0.962 84 R HN 0.171 nan 8.270 nan 0.000 0.416 85 S N -0.184 115.516 115.700 -0.000 0.000 2.368 85 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 85 S C 1.666 176.269 174.600 0.004 0.000 1.029 85 S CA 1.587 59.789 58.200 0.004 0.000 0.988 85 S CB -0.233 62.969 63.200 0.004 0.000 0.838 85 S HN 0.666 nan 8.310 nan 0.000 0.462 86 E N 0.158 120.358 120.200 -0.000 0.000 2.418 86 E HA -0.026 4.324 4.350 -0.000 0.000 0.197 86 E C 1.651 178.250 176.600 -0.001 0.000 1.026 86 E CA 0.883 57.282 56.400 -0.001 0.000 0.862 86 E CB -0.163 29.533 29.700 -0.006 0.000 0.799 86 E HN 0.435 nan 8.360 nan 0.000 0.518 87 V N 0.933 120.845 119.914 -0.004 0.000 2.649 87 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 87 V C 2.375 178.470 176.094 0.001 0.000 1.054 87 V CA 1.623 63.917 62.300 -0.010 0.000 1.073 87 V CB -0.049 31.762 31.823 -0.020 0.000 0.699 87 V HN 0.220 nan 8.190 nan 0.000 0.463 88 Q N 1.165 120.971 119.800 0.009 0.000 2.083 88 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 88 Q C 2.157 178.179 176.000 0.037 0.000 0.969 88 Q CA 2.139 57.956 55.803 0.023 0.000 0.838 88 Q CB -0.598 28.154 28.738 0.022 0.000 0.900 88 Q HN 0.523 nan 8.270 nan 0.000 0.436 89 A N 0.651 123.489 122.820 0.030 0.000 1.908 89 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 89 A C 2.046 179.660 177.584 0.050 0.000 1.181 89 A CA 1.935 53.993 52.037 0.036 0.000 0.627 89 A CB -1.071 17.943 19.000 0.023 0.000 0.818 89 A HN 0.586 nan 8.150 nan 0.000 0.445 90 N N -0.317 118.407 118.700 0.041 0.000 2.188 90 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 90 N C 1.515 177.086 175.510 0.101 0.000 1.018 90 N CA 1.520 54.603 53.050 0.055 0.000 0.858 90 N CB -0.391 38.107 38.487 0.018 0.000 0.989 90 N HN 0.335 nan 8.380 nan 0.000 0.426 91 L N 0.135 121.404 121.223 0.076 0.000 2.093 91 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 91 L C 2.019 179.000 176.870 0.185 0.000 1.085 91 L CA 1.550 56.455 54.840 0.109 0.000 0.755 91 L CB -1.040 41.050 42.059 0.052 0.000 0.904 91 L HN 0.060 nan 8.230 nan 0.000 0.435 92 S N -0.176 115.606 115.700 0.137 0.000 2.356 92 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 92 S C 1.924 176.618 174.600 0.157 0.000 1.032 92 S CA 1.795 60.077 58.200 0.136 0.000 1.005 92 S CB -0.531 62.725 63.200 0.094 0.000 0.867 92 S HN 0.484 nan 8.310 nan 0.000 0.449 93 L N -0.163 121.150 121.223 0.151 0.000 2.083 93 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 93 L C 2.211 179.212 176.870 0.218 0.000 1.083 93 L CA 1.291 56.221 54.840 0.151 0.000 0.752 93 L CB -0.485 41.645 42.059 0.119 0.000 0.899 93 L HN 0.258 nan 8.230 nan 0.000 0.433 94 F N 0.389 120.419 119.950 0.134 0.000 2.186 94 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 94 F C 2.206 178.135 175.800 0.215 0.000 1.090 94 F CA 1.333 59.447 58.000 0.190 0.000 1.307 94 F CB 0.031 39.126 39.000 0.158 0.000 1.019 94 F HN -0.114 nan 8.300 nan 0.000 0.489 95 L N -0.254 121.149 121.223 0.300 0.000 2.093 95 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 95 L C 2.286 179.236 176.870 0.132 0.000 1.085 95 L CA 1.459 56.438 54.840 0.231 0.000 0.755 95 L CB -0.714 41.499 42.059 0.257 0.000 0.904 95 L HN 0.153 nan 8.230 nan 0.000 0.435 96 E N 0.193 120.466 120.200 0.121 0.000 2.077 96 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 96 E C 2.324 178.974 176.600 0.083 0.000 0.989 96 E CA 1.184 57.641 56.400 0.094 0.000 0.800 96 E CB -0.141 29.613 29.700 0.090 0.000 0.746 96 E HN 0.480 nan 8.360 nan 0.000 0.452 97 A N 1.479 124.343 122.820 0.074 0.000 1.883 97 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 97 A C 2.408 180.050 177.584 0.098 0.000 1.186 97 A CA 1.873 53.961 52.037 0.085 0.000 0.624 97 A CB -0.868 18.175 19.000 0.072 0.000 0.822 97 A HN 0.314 nan 8.150 nan 0.000 0.444 98 A N -0.680 122.155 122.820 0.025 0.000 1.873 98 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 98 A C 2.529 180.162 177.584 0.082 0.000 1.193 98 A CA 2.526 54.568 52.037 0.008 0.000 0.629 98 A CB -1.179 17.804 19.000 -0.029 0.000 0.826 98 A HN 0.675 nan 8.150 nan 0.000 0.447 99 S N -0.751 114.996 115.700 0.079 0.000 2.383 99 S HA -0.045 4.425 4.470 -0.000 0.000 0.229 99 S C 1.993 176.636 174.600 0.071 0.000 1.030 99 S CA 1.784 60.022 58.200 0.063 0.000 1.002 99 S CB -0.687 62.544 63.200 0.052 0.000 0.829 99 S HN 0.736 nan 8.310 nan 0.000 0.467 100 G N 0.005 108.857 108.800 0.087 0.000 2.408 100 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 100 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 100 G C 1.225 176.160 174.900 0.058 0.000 1.150 100 G CA 0.749 45.891 45.100 0.069 0.000 0.776 100 G HN 0.581 nan 8.290 nan 0.000 0.542 101 F N 0.571 120.508 119.950 -0.022 0.000 2.075 101 F HA -0.037 4.490 4.527 -0.000 0.000 0.297 101 F C 2.475 178.181 175.800 -0.158 0.000 1.113 101 F CA 1.323 59.277 58.000 -0.077 0.000 1.218 101 F CB -0.272 38.700 39.000 -0.047 0.000 0.984 101 F HN 0.169 nan 8.300 nan 0.000 0.472 102 Y N 0.521 120.767 120.300 -0.089 0.000 2.274 102 Y HA -0.205 4.345 4.550 -0.000 0.000 0.290 102 Y C 2.623 178.370 175.900 -0.255 0.000 1.145 102 Y CA 1.842 59.816 58.100 -0.211 0.000 1.203 102 Y CB -1.042 37.327 38.460 -0.151 0.000 0.984 102 Y HN 0.064 nan 8.280 nan 0.000 0.533 103 T N -0.391 114.123 114.554 -0.066 0.000 2.708 103 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 103 T C 1.947 176.574 174.700 -0.121 0.000 1.037 103 T CA 1.545 63.597 62.100 -0.080 0.000 1.146 103 T CB -0.289 68.557 68.868 -0.036 0.000 0.865 103 T HN 0.331 nan 8.240 nan 0.000 0.435 104 Q N 0.703 120.400 119.800 -0.173 0.000 2.167 104 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 104 Q C 2.324 178.165 176.000 -0.265 0.000 0.970 104 Q CA 1.133 56.819 55.803 -0.194 0.000 0.855 104 Q CB -0.420 28.204 28.738 -0.191 0.000 0.911 104 Q HN 0.467 nan 8.270 nan 0.000 0.438 105 L N 0.589 121.561 121.223 -0.420 0.000 2.072 105 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 105 L C 2.308 179.088 176.870 -0.149 0.000 1.079 105 L CA 1.224 55.834 54.840 -0.384 0.000 0.752 105 L CB -0.782 40.926 42.059 -0.585 0.000 0.906 105 L HN 0.305 nan 8.230 nan 0.000 0.436 106 L N -0.448 120.711 121.223 -0.106 0.000 2.046 106 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 106 L C 2.471 179.322 176.870 -0.033 0.000 1.077 106 L CA 1.742 56.557 54.840 -0.042 0.000 0.747 106 L CB -0.729 41.297 42.059 -0.054 0.000 0.896 106 L HN 0.437 nan 8.230 nan 0.000 0.432 107 Q N -0.769 118.997 119.800 -0.058 0.000 2.096 107 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 107 Q C 2.171 178.148 176.000 -0.039 0.000 0.982 107 Q CA 1.855 57.632 55.803 -0.045 0.000 0.850 107 Q CB -0.248 28.456 28.738 -0.056 0.000 0.901 107 Q HN 0.593 nan 8.270 nan 0.000 0.422 108 E N 0.642 120.808 120.200 -0.056 0.000 2.017 108 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 108 E C 2.156 178.740 176.600 -0.026 0.000 0.997 108 E CA 0.904 57.271 56.400 -0.056 0.000 0.804 108 E CB -0.119 29.539 29.700 -0.070 0.000 0.757 108 E HN 0.329 nan 8.360 nan 0.000 0.448 109 L N 0.340 121.593 121.223 0.051 0.000 2.079 109 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 109 L C 2.797 179.802 176.870 0.226 0.000 1.081 109 L CA 0.885 55.859 54.840 0.223 0.000 0.752 109 L CB -0.423 41.789 42.059 0.255 0.000 0.896 109 L HN 0.266 nan 8.230 nan 0.000 0.433 110 C N -0.572 118.791 119.300 0.105 0.000 2.453 110 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 110 C C 3.121 178.146 174.990 0.058 0.000 1.262 110 C CA 1.537 60.608 59.018 0.087 0.000 1.718 110 C CB -0.943 26.822 27.740 0.040 0.000 2.031 110 C HN 0.692 nan 8.230 nan 0.000 0.480 111 T N -0.730 113.828 114.554 0.006 0.000 2.732 111 T HA -0.100 4.250 4.350 -0.000 0.000 0.261 111 T C 1.676 176.337 174.700 -0.065 0.000 1.040 111 T CA 1.811 63.898 62.100 -0.022 0.000 1.145 111 T CB -0.869 67.976 68.868 -0.038 0.000 0.866 111 T HN 0.254 nan 8.240 nan 0.000 0.427 112 V N 1.210 121.030 119.914 -0.156 0.000 2.214 112 V HA -0.058 4.062 4.120 -0.000 0.000 0.247 112 V C 1.213 177.108 176.094 -0.333 0.000 1.051 112 V CA 1.383 63.478 62.300 -0.341 0.000 1.003 112 V CB -0.936 30.509 31.823 -0.630 0.000 0.635 112 V HN 0.549 nan 8.190 nan 0.000 0.447 113 F N 0.820 120.784 119.950 0.023 0.000 2.404 113 F HA 0.338 4.865 4.527 -0.000 0.000 0.359 113 F C 0.521 176.338 175.800 0.027 0.000 1.134 113 F CA -0.652 57.366 58.000 0.030 0.000 1.160 113 F CB -0.662 38.360 39.000 0.036 0.000 1.186 113 F HN 0.017 nan 8.300 nan 0.000 0.526 114 N N 2.596 121.391 118.700 0.157 0.000 2.315 114 N HA 0.163 4.903 4.740 -0.000 0.000 0.270 114 N C -1.104 174.478 175.510 0.120 0.000 1.329 114 N CA 0.369 53.483 53.050 0.107 0.000 0.860 114 N CB 0.359 38.894 38.487 0.080 0.000 1.095 114 N HN 0.299 nan 8.380 nan 0.000 0.487 115 V N 2.371 122.346 119.914 0.101 0.000 2.509 115 V HA 0.082 4.202 4.120 -0.000 0.000 0.289 115 V C -0.100 176.037 176.094 0.071 0.000 1.026 115 V CA -0.692 61.663 62.300 0.092 0.000 0.872 115 V CB 1.742 33.624 31.823 0.097 0.000 1.017 115 V HN 0.549 nan 8.190 nan 0.000 0.436 116 D N 2.732 123.174 120.400 0.070 0.000 2.387 116 D HA 0.008 4.648 4.640 -0.000 0.000 0.257 116 D C 0.833 177.167 176.300 0.058 0.000 1.198 116 D CA 0.189 54.225 54.000 0.060 0.000 0.945 116 D CB -0.090 40.749 40.800 0.065 0.000 0.907 116 D HN 0.443 nan 8.370 nan 0.000 0.518 117 L N 0.937 122.194 121.223 0.057 0.000 2.841 117 L HA -0.058 4.282 4.340 -0.000 0.000 0.282 117 L C -1.302 175.591 176.870 0.039 0.000 1.130 117 L CA -0.528 54.343 54.840 0.052 0.000 0.996 117 L CB -0.209 41.871 42.059 0.036 0.000 1.364 117 L HN 0.003 nan 8.230 nan 0.000 0.466 118 P HA -0.181 nan 4.420 nan 0.000 0.229 118 P C -0.048 177.255 177.300 0.004 0.000 0.941 118 P CA 1.313 64.438 63.100 0.043 0.000 1.063 118 P CB 0.124 31.880 31.700 0.093 0.000 0.648 143 Q N -2.338 117.457 119.800 -0.007 0.000 1.478 143 Q HA 0.150 4.490 4.340 -0.000 0.000 0.141 143 Q C 0.252 176.261 176.000 0.015 0.000 0.650 143 Q CA 0.869 56.675 55.803 0.005 0.000 0.664 143 Q CB 0.638 29.369 28.738 -0.011 0.000 1.095 143 Q HN 0.289 nan 8.270 nan 0.000 0.333 144 S N -1.009 114.692 115.700 0.001 0.000 1.975 144 S HA -0.159 4.311 4.470 -0.000 0.000 0.250 144 S C 0.924 175.540 174.600 0.026 0.000 1.199 144 S CA 1.382 59.598 58.200 0.026 0.000 1.263 144 S CB -1.508 61.719 63.200 0.046 0.000 1.561 144 S HN 0.487 nan 8.310 nan 0.000 0.589 145 S N -0.222 115.487 115.700 0.015 0.000 2.539 145 S HA 0.354 4.824 4.470 -0.000 0.000 0.226 145 S C 1.545 176.164 174.600 0.032 0.000 1.054 145 S CA 0.677 58.895 58.200 0.030 0.000 0.910 145 S CB 0.103 63.319 63.200 0.026 0.000 0.818 145 S HN 0.384 nan 8.310 nan 0.000 0.490 146 S N 1.643 117.336 115.700 -0.011 0.000 2.383 146 S HA -0.055 4.415 4.470 -0.000 0.000 0.227 146 S C 1.969 176.542 174.600 -0.046 0.000 1.026 146 S CA 1.179 59.370 58.200 -0.015 0.000 0.981 146 S CB -0.632 62.518 63.200 -0.084 0.000 0.818 146 S HN 0.695 nan 8.310 nan 0.000 0.472 147 C N 1.358 120.580 119.300 -0.129 0.000 2.429 147 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 147 C C 3.026 177.993 174.990 -0.039 0.000 1.262 147 C CA 0.621 59.538 59.018 -0.168 0.000 1.733 147 C CB -1.456 26.224 27.740 -0.100 0.000 2.010 147 C HN 0.517 nan 8.230 nan 0.000 0.483 148 S N -0.159 115.549 115.700 0.013 0.000 2.356 148 S HA -0.198 4.272 4.470 -0.000 0.000 0.223 148 S C 1.639 176.254 174.600 0.025 0.000 1.032 148 S CA 1.665 59.885 58.200 0.033 0.000 1.005 148 S CB -0.628 62.606 63.200 0.058 0.000 0.867 148 S HN 0.714 nan 8.310 nan 0.000 0.449 149 Y N 1.792 122.064 120.300 -0.045 0.000 2.097 149 Y HA -0.181 4.369 4.550 -0.000 0.000 0.282 149 Y C 2.111 177.996 175.900 -0.026 0.000 1.152 149 Y CA 1.342 59.414 58.100 -0.047 0.000 1.136 149 Y CB -0.618 37.798 38.460 -0.074 0.000 0.975 149 Y HN 0.186 nan 8.280 nan 0.000 0.498 150 I N -0.255 120.165 120.570 -0.250 0.000 2.315 150 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 150 I C 2.325 178.360 176.117 -0.137 0.000 1.117 150 I CA 1.214 62.355 61.300 -0.265 0.000 1.404 150 I CB -0.886 37.059 38.000 -0.090 0.000 1.071 150 I HN 0.455 nan 8.210 nan 0.000 0.419 151 C N -0.199 119.046 119.300 -0.091 0.000 2.446 151 C HA -0.159 4.300 4.460 -0.000 0.000 0.277 151 C C 2.734 177.653 174.990 -0.119 0.000 1.275 151 C CA 1.154 60.137 59.018 -0.058 0.000 1.727 151 C CB -1.097 26.635 27.740 -0.014 0.000 2.010 151 C HN 0.599 nan 8.230 nan 0.000 0.486 152 Q N 0.174 119.883 119.800 -0.153 0.000 2.084 152 Q HA -0.274 4.066 4.340 -0.000 0.000 0.202 152 Q C 2.039 177.856 176.000 -0.305 0.000 0.978 152 Q CA 2.175 57.865 55.803 -0.189 0.000 0.844 152 Q CB -0.366 28.278 28.738 -0.156 0.000 0.898 152 Q HN 0.878 nan 8.270 nan 0.000 0.426 153 H N -0.429 118.349 119.070 -0.487 0.000 2.319 153 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 153 H C 1.969 176.994 175.328 -0.506 0.000 1.097 153 H CA 2.453 58.156 56.048 -0.574 0.000 1.285 153 H CB -0.502 28.873 29.762 -0.645 0.000 1.368 153 H HN 0.391 nan 8.280 nan 0.000 0.495 154 C N 0.079 119.197 119.300 -0.304 0.000 2.446 154 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 154 C C 2.954 177.667 174.990 -0.460 0.000 1.275 154 C CA 0.891 59.753 59.018 -0.260 0.000 1.727 154 C CB -1.115 26.624 27.740 -0.002 0.000 2.010 154 C HN 0.569 nan 8.230 nan 0.000 0.486 155 L N 0.387 121.377 121.223 -0.388 0.000 2.083 155 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 155 L C 2.593 179.139 176.870 -0.541 0.000 1.083 155 L CA 1.137 55.723 54.840 -0.424 0.000 0.752 155 L CB -0.708 41.228 42.059 -0.205 0.000 0.899 155 L HN 0.208 nan 8.230 nan 0.000 0.433 156 V N -0.803 118.787 119.914 -0.539 0.000 2.255 156 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 156 V C 2.539 178.206 176.094 -0.710 0.000 1.051 156 V CA 1.821 63.807 62.300 -0.522 0.000 1.018 156 V CB -0.788 30.668 31.823 -0.613 0.000 0.641 156 V HN 0.451 nan 8.190 nan 0.000 0.445 157 H N -1.027 117.467 119.070 -0.959 0.000 2.421 157 H HA -0.071 4.485 4.556 -0.000 0.000 0.298 157 H C 2.088 176.844 175.328 -0.954 0.000 1.087 157 H CA 1.238 56.545 56.048 -1.235 0.000 1.330 157 H CB -0.260 28.320 29.762 -1.970 0.000 1.388 157 H HN 0.221 nan 8.280 nan 0.000 0.526 158 L N 0.340 121.072 121.223 -0.820 0.000 2.083 158 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 158 L C 2.529 178.921 176.870 -0.796 0.000 1.083 158 L CA 1.627 55.949 54.840 -0.864 0.000 0.752 158 L CB -1.065 40.217 42.059 -1.295 0.000 0.899 158 L HN 0.296 nan 8.230 nan 0.000 0.433 159 G N -1.421 106.884 108.800 -0.825 0.000 2.402 159 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 159 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 159 G C 1.262 175.731 174.900 -0.719 0.000 1.162 159 G CA 0.677 45.208 45.100 -0.949 0.000 0.777 159 G HN 0.345 nan 8.290 nan 0.000 0.539 160 D N 0.752 120.829 120.400 -0.540 0.000 2.117 160 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 160 D C 2.536 178.311 176.300 -0.874 0.000 0.987 160 D CA 0.474 54.138 54.000 -0.560 0.000 0.829 160 D CB -0.198 40.372 40.800 -0.384 0.000 0.961 160 D HN 0.362 nan 8.370 nan 0.000 0.460 161 I N 1.151 121.434 120.570 -0.478 0.000 2.226 161 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 161 I C 2.475 178.518 176.117 -0.123 0.000 1.100 161 I CA 1.043 62.228 61.300 -0.191 0.000 1.374 161 I CB -0.259 37.710 38.000 -0.051 0.000 1.057 161 I HN -0.070 nan 8.210 nan 0.000 0.413 162 A N 0.678 123.411 122.820 -0.146 0.000 1.908 162 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 162 A C 2.413 179.969 177.584 -0.046 0.000 1.181 162 A CA 1.668 53.675 52.037 -0.049 0.000 0.627 162 A CB -0.628 18.361 19.000 -0.019 0.000 0.818 162 A HN 0.294 nan 8.150 nan 0.000 0.445 163 R N -1.502 118.921 120.500 -0.128 0.000 2.080 163 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 163 R C 2.045 178.406 176.300 0.102 0.000 1.137 163 R CA 2.086 58.167 56.100 -0.032 0.000 0.943 163 R CB -0.532 29.731 30.300 -0.061 0.000 0.846 163 R HN 0.770 nan 8.270 nan 0.000 0.431 164 Y N -0.583 119.769 120.300 0.087 0.000 2.315 164 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 164 Y C 2.086 178.033 175.900 0.079 0.000 1.154 164 Y CA 0.630 58.786 58.100 0.093 0.000 1.229 164 Y CB -0.009 38.522 38.460 0.119 0.000 0.980 164 Y HN 0.034 nan 8.280 nan 0.000 0.540 165 R N 0.200 120.822 120.500 0.205 0.000 2.317 165 R HA 0.027 4.367 4.340 -0.000 0.000 0.208 165 R C 0.121 176.478 176.300 0.096 0.000 0.914 165 R CA 0.079 56.261 56.100 0.138 0.000 1.060 165 R CB -0.022 30.343 30.300 0.109 0.000 1.015 165 R HN 0.216 nan 8.270 nan 0.000 0.498 166 N N 1.870 120.627 118.700 0.096 0.000 2.740 166 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 166 N C -0.955 174.579 175.510 0.041 0.000 1.062 166 N CA 0.875 53.966 53.050 0.068 0.000 0.704 166 N CB -0.704 37.823 38.487 0.067 0.000 0.968 166 N HN 0.494 nan 8.380 nan 0.000 0.547 167 Q N -0.563 119.254 119.800 0.028 0.000 2.819 167 Q HA 0.175 4.515 4.340 -0.000 0.000 0.392 167 Q C 1.181 177.174 176.000 -0.011 0.000 1.088 167 Q CA -0.243 55.563 55.803 0.006 0.000 1.062 167 Q CB 0.246 28.985 28.738 0.002 0.000 1.369 167 Q HN 0.165 nan 8.270 nan 0.000 0.434 168 T N 0.054 114.609 114.554 0.002 0.000 2.668 168 T HA -0.312 4.038 4.350 -0.000 0.000 0.265 168 T C 1.876 176.566 174.700 -0.016 0.000 1.041 168 T CA 2.277 64.379 62.100 0.003 0.000 1.160 168 T CB -0.069 68.805 68.868 0.010 0.000 0.857 168 T HN 0.385 nan 8.240 nan 0.000 0.455 169 S N -0.001 115.681 115.700 -0.030 0.000 2.371 169 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 169 S C 2.192 176.734 174.600 -0.096 0.000 1.029 169 S CA 1.126 59.297 58.200 -0.048 0.000 0.978 169 S CB -0.260 62.913 63.200 -0.045 0.000 0.833 169 S HN 0.549 nan 8.310 nan 0.000 0.466 170 Q N 0.124 119.851 119.800 -0.122 0.000 2.167 170 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 170 Q C 2.389 178.233 176.000 -0.260 0.000 0.970 170 Q CA 1.270 56.932 55.803 -0.235 0.000 0.855 170 Q CB -0.289 28.339 28.738 -0.184 0.000 0.911 170 Q HN 0.663 nan 8.270 nan 0.000 0.438 171 A N 1.217 123.953 122.820 -0.140 0.000 1.930 171 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 171 A C 1.769 179.249 177.584 -0.173 0.000 1.175 171 A CA 1.352 53.272 52.037 -0.195 0.000 0.627 171 A CB -0.302 18.627 19.000 -0.119 0.000 0.815 171 A HN 0.328 nan 8.150 nan 0.000 0.443 172 E N -0.575 119.601 120.200 -0.039 0.000 2.106 172 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 172 E C 2.241 178.840 176.600 -0.002 0.000 0.984 172 E CA 1.118 57.539 56.400 0.035 0.000 0.806 172 E CB -0.201 29.513 29.700 0.023 0.000 0.750 172 E HN 0.568 nan 8.360 nan 0.000 0.458 173 S N -0.131 115.523 115.700 -0.077 0.000 2.368 173 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 173 S C 1.844 176.487 174.600 0.072 0.000 1.030 173 S CA 1.066 59.240 58.200 -0.043 0.000 0.999 173 S CB -0.283 62.817 63.200 -0.168 0.000 0.844 173 S HN 0.353 nan 8.310 nan 0.000 0.459 174 Y N -0.223 120.017 120.300 -0.101 0.000 2.145 174 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 174 Y C 2.263 178.069 175.900 -0.157 0.000 1.145 174 Y CA 1.755 59.738 58.100 -0.194 0.000 1.148 174 Y CB -0.427 37.781 38.460 -0.420 0.000 0.981 174 Y HN 0.350 nan 8.280 nan 0.000 0.507 175 Y N -0.509 119.795 120.300 0.008 0.000 2.224 175 Y HA -0.275 4.275 4.550 -0.000 0.000 0.289 175 Y C 2.596 178.396 175.900 -0.167 0.000 1.146 175 Y CA 0.779 58.789 58.100 -0.151 0.000 1.182 175 Y CB -0.191 38.135 38.460 -0.224 0.000 0.983 175 Y HN 0.019 nan 8.280 nan 0.000 0.524 176 R N -0.634 119.894 120.500 0.047 0.000 2.062 176 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 176 R C 2.015 178.271 176.300 -0.073 0.000 1.136 176 R CA 1.419 57.494 56.100 -0.041 0.000 0.948 176 R CB -0.516 29.741 30.300 -0.072 0.000 0.845 176 R HN 0.467 nan 8.270 nan 0.000 0.430 177 H N -0.080 118.979 119.070 -0.017 0.000 2.387 177 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 177 H C 1.971 177.278 175.328 -0.036 0.000 1.099 177 H CA 1.561 57.598 56.048 -0.018 0.000 1.315 177 H CB -0.025 29.735 29.762 -0.002 0.000 1.380 177 H HN 0.313 nan 8.280 nan 0.000 0.513 178 A N 1.121 123.973 122.820 0.053 0.000 1.898 178 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 178 A C 2.723 180.250 177.584 -0.095 0.000 1.181 178 A CA 1.355 53.365 52.037 -0.046 0.000 0.620 178 A CB -0.700 18.244 19.000 -0.094 0.000 0.819 178 A HN 0.420 nan 8.150 nan 0.000 0.442 179 A N -0.946 121.785 122.820 -0.149 0.000 1.940 179 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 179 A C 2.118 179.652 177.584 -0.082 0.000 1.176 179 A CA 1.712 53.599 52.037 -0.251 0.000 0.631 179 A CB -0.480 18.299 19.000 -0.367 0.000 0.814 179 A HN 0.517 nan 8.150 nan 0.000 0.446 180 Q N -0.251 119.533 119.800 -0.028 0.000 2.084 180 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 180 Q C 2.209 178.224 176.000 0.025 0.000 0.978 180 Q CA 1.308 57.121 55.803 0.018 0.000 0.844 180 Q CB -0.486 28.269 28.738 0.028 0.000 0.898 180 Q HN 0.748 nan 8.270 nan 0.000 0.426 181 L N -0.179 121.056 121.223 0.021 0.000 2.079 181 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 181 L C 0.731 177.623 176.870 0.038 0.000 1.081 181 L CA 0.809 55.668 54.840 0.032 0.000 0.752 181 L CB 0.030 42.098 42.059 0.014 0.000 0.896 181 L HN -0.075 nan 8.230 nan 0.000 0.433 182 V N -1.045 118.887 119.914 0.030 0.000 2.558 182 V HA 0.164 4.284 4.120 -0.000 0.000 0.261 182 V C -1.817 174.331 176.094 0.090 0.000 0.958 182 V CA -0.732 61.610 62.300 0.069 0.000 0.852 182 V CB 1.156 33.032 31.823 0.088 0.000 1.067 182 V HN -0.059 nan 8.190 nan 0.000 0.468 183 P HA -0.151 nan 4.420 nan 0.000 0.216 183 P C 1.803 179.270 177.300 0.279 0.000 1.150 183 P CA 1.776 64.991 63.100 0.192 0.000 0.843 183 P CB 0.217 31.977 31.700 0.099 0.000 0.787 184 S N -1.225 114.621 115.700 0.243 0.000 2.407 184 S HA -0.194 4.276 4.470 -0.000 0.000 0.235 184 S C 1.157 175.997 174.600 0.399 0.000 1.036 184 S CA 0.936 59.326 58.200 0.316 0.000 1.013 184 S CB -1.389 62.065 63.200 0.423 0.000 0.820 184 S HN 0.225 nan 8.310 nan 0.000 0.476 185 N N 2.019 120.911 118.700 0.320 0.000 2.416 185 N HA 0.254 4.994 4.740 -0.000 0.000 0.265 185 N C 0.688 176.363 175.510 0.276 0.000 1.195 185 N CA 0.113 53.324 53.050 0.268 0.000 0.943 185 N CB 0.817 39.381 38.487 0.127 0.000 1.115 185 N HN 0.197 nan 8.380 nan 0.000 0.481 186 G N 2.502 111.508 108.800 0.344 0.000 2.985 186 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.209 186 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.209 186 G C 0.955 176.006 174.900 0.252 0.000 1.165 186 G CA -0.084 45.269 45.100 0.422 0.000 0.776 186 G HN 0.592 nan 8.290 nan 0.000 0.541 187 Q N 0.965 120.814 119.800 0.082 0.000 2.046 187 Q HA -0.026 4.314 4.340 -0.000 0.000 0.200 187 Q C -0.288 175.421 176.000 -0.486 0.000 0.975 187 Q CA 1.342 56.986 55.803 -0.264 0.000 0.836 187 Q CB -0.744 27.920 28.738 -0.124 0.000 0.896 187 Q HN 0.325 nan 8.270 nan 0.000 0.428 188 P HA -0.134 nan 4.420 nan 0.000 0.217 188 P C 0.792 177.699 177.300 -0.656 0.000 1.150 188 P CA 1.293 64.031 63.100 -0.604 0.000 0.832 188 P CB -0.366 31.007 31.700 -0.545 0.000 0.787 189 Y N -0.538 119.575 120.300 -0.313 0.000 2.165 189 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 189 Y C 2.508 178.181 175.900 -0.378 0.000 1.155 189 Y CA 1.168 59.063 58.100 -0.341 0.000 1.164 189 Y CB -1.363 37.027 38.460 -0.117 0.000 0.978 189 Y HN 0.036 nan 8.280 nan 0.000 0.513 190 N N 0.370 118.983 118.700 -0.145 0.000 2.149 190 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 190 N C 1.620 176.964 175.510 -0.276 0.000 1.019 190 N CA 1.417 54.403 53.050 -0.106 0.000 0.857 190 N CB -0.003 38.376 38.487 -0.180 0.000 0.997 190 N HN 0.449 nan 8.380 nan 0.000 0.426 191 Q N 0.702 120.167 119.800 -0.558 0.000 2.079 191 Q HA -0.034 4.306 4.340 -0.000 0.000 0.200 191 Q C 2.421 178.077 176.000 -0.573 0.000 0.974 191 Q CA 0.580 55.964 55.803 -0.697 0.000 0.840 191 Q CB -0.408 27.458 28.738 -1.453 0.000 0.898 191 Q HN 0.471 nan 8.270 nan 0.000 0.430 192 L N 0.278 121.106 121.223 -0.659 0.000 2.127 192 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 192 L C 2.380 178.984 176.870 -0.445 0.000 1.089 192 L CA 1.068 55.524 54.840 -0.641 0.000 0.757 192 L CB -0.482 40.823 42.059 -1.256 0.000 0.899 192 L HN 0.144 nan 8.230 nan 0.000 0.434 193 A N 0.003 122.595 122.820 -0.380 0.000 1.897 193 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 193 A C 2.126 179.531 177.584 -0.298 0.000 1.181 193 A CA 1.004 52.827 52.037 -0.356 0.000 0.620 193 A CB -0.383 18.145 19.000 -0.787 0.000 0.821 193 A HN 0.249 nan 8.150 nan 0.000 0.443 194 I N -0.532 119.936 120.570 -0.170 0.000 2.264 194 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 194 I C 2.387 178.475 176.117 -0.049 0.000 1.111 194 I CA 1.193 62.468 61.300 -0.041 0.000 1.382 194 I CB -1.152 36.846 38.000 -0.005 0.000 1.060 194 I HN 0.229 nan 8.210 nan 0.000 0.418 195 L N 1.141 122.317 121.223 -0.078 0.000 2.056 195 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 195 L C 2.660 179.515 176.870 -0.026 0.000 1.078 195 L CA 1.994 56.815 54.840 -0.031 0.000 0.749 195 L CB -0.992 41.056 42.059 -0.019 0.000 0.901 195 L HN 0.184 nan 8.230 nan 0.000 0.433 196 A N -2.234 120.565 122.820 -0.035 0.000 1.930 196 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 196 A C 2.551 180.097 177.584 -0.064 0.000 1.175 196 A CA 1.719 53.748 52.037 -0.014 0.000 0.627 196 A CB -0.821 18.206 19.000 0.045 0.000 0.815 196 A HN 0.424 nan 8.150 nan 0.000 0.443 197 S N 0.361 116.014 115.700 -0.079 0.000 2.368 197 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 197 S C 2.360 176.929 174.600 -0.051 0.000 1.030 197 S CA 2.096 60.255 58.200 -0.068 0.000 0.999 197 S CB -0.541 62.652 63.200 -0.012 0.000 0.844 197 S HN 0.897 nan 8.310 nan 0.000 0.459 198 S N 0.748 116.434 115.700 -0.023 0.000 2.400 198 S HA -0.047 4.423 4.470 -0.000 0.000 0.232 198 S C 1.629 176.215 174.600 -0.023 0.000 1.025 198 S CA 1.023 59.219 58.200 -0.007 0.000 0.993 198 S CB -0.493 62.713 63.200 0.010 0.000 0.808 198 S HN 0.581 nan 8.310 nan 0.000 0.478 199 K N 0.552 120.928 120.400 -0.040 0.000 2.444 199 K HA 0.243 4.563 4.320 -0.000 0.000 0.193 199 K C 1.303 177.852 176.600 -0.085 0.000 1.024 199 K CA 0.398 56.658 56.287 -0.044 0.000 1.077 199 K CB -0.161 32.321 32.500 -0.030 0.000 0.833 199 K HN 0.597 nan 8.250 nan 0.000 0.517 200 G N 2.263 110.976 108.800 -0.146 0.000 2.159 200 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.256 200 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.256 200 G C -0.201 174.427 174.900 -0.454 0.000 0.977 200 G CA 0.210 45.135 45.100 -0.292 0.000 0.652 200 G HN 0.383 nan 8.290 nan 0.000 0.531 201 D N 0.531 120.776 120.400 -0.259 0.000 2.470 201 D HA 0.256 4.896 4.640 -0.000 0.000 0.226 201 D C 1.656 177.860 176.300 -0.160 0.000 1.196 201 D CA -0.432 53.470 54.000 -0.163 0.000 0.979 201 D CB -0.081 40.689 40.800 -0.050 0.000 1.059 201 D HN 0.435 nan 8.370 nan 0.000 0.515 202 H N 2.566 121.654 119.070 0.030 0.000 2.293 202 H HA -0.146 4.410 4.556 -0.000 0.000 0.300 202 H C 1.804 177.146 175.328 0.025 0.000 1.082 202 H CA 0.752 56.817 56.048 0.028 0.000 1.308 202 H CB -0.077 29.715 29.762 0.050 0.000 1.375 202 H HN 0.347 nan 8.280 nan 0.000 0.495 203 L N 0.879 122.214 121.223 0.186 0.000 2.012 203 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 203 L C 2.308 179.169 176.870 -0.016 0.000 1.073 203 L CA 1.891 56.812 54.840 0.135 0.000 0.748 203 L CB -0.914 41.253 42.059 0.180 0.000 0.891 203 L HN 0.136 nan 8.230 nan 0.000 0.431 204 T N -1.203 113.318 114.554 -0.055 0.000 2.788 204 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 204 T C 1.705 176.316 174.700 -0.148 0.000 1.044 204 T CA 1.754 63.724 62.100 -0.217 0.000 1.139 204 T CB -0.400 68.439 68.868 -0.048 0.000 0.867 204 T HN 0.471 nan 8.240 nan 0.000 0.454 205 T N 2.701 117.199 114.554 -0.093 0.000 2.674 205 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 205 T C 1.957 176.472 174.700 -0.308 0.000 1.039 205 T CA 0.891 62.865 62.100 -0.211 0.000 1.150 205 T CB -0.314 68.443 68.868 -0.186 0.000 0.864 205 T HN 0.184 nan 8.240 nan 0.000 0.427 206 I N 1.052 121.537 120.570 -0.141 0.000 2.163 206 I HA -0.121 4.049 4.170 -0.000 0.000 0.243 206 I C 2.177 178.170 176.117 -0.207 0.000 1.085 206 I CA 1.297 62.532 61.300 -0.108 0.000 1.347 206 I CB -1.447 36.533 38.000 -0.034 0.000 1.044 206 I HN 0.190 nan 8.210 nan 0.000 0.408 207 F N 1.505 121.230 119.950 -0.376 0.000 2.065 207 F HA -0.302 4.225 4.527 -0.000 0.000 0.298 207 F C 2.649 178.192 175.800 -0.428 0.000 1.112 207 F CA 1.724 59.419 58.000 -0.507 0.000 1.212 207 F CB -0.953 37.511 39.000 -0.894 0.000 0.975 207 F HN 0.020 nan 8.300 nan 0.000 0.476 208 Y N -1.409 118.604 120.300 -0.479 0.000 2.181 208 Y HA -0.298 4.252 4.550 -0.000 0.000 0.288 208 Y C 2.516 178.207 175.900 -0.348 0.000 1.146 208 Y CA 1.531 59.355 58.100 -0.460 0.000 1.164 208 Y CB -0.703 37.608 38.460 -0.248 0.000 0.982 208 Y HN 0.116 nan 8.280 nan 0.000 0.515 209 Y N -1.619 118.587 120.300 -0.157 0.000 2.165 209 Y HA -0.358 4.192 4.550 -0.000 0.000 0.286 209 Y C 2.698 178.363 175.900 -0.392 0.000 1.155 209 Y CA 0.719 58.694 58.100 -0.208 0.000 1.164 209 Y CB -0.555 37.781 38.460 -0.206 0.000 0.978 209 Y HN 0.188 nan 8.280 nan 0.000 0.513 210 C N -0.183 118.820 119.300 -0.494 0.000 2.425 210 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 210 C C 2.669 177.369 174.990 -0.484 0.000 1.280 210 C CA 0.666 59.117 59.018 -0.945 0.000 1.744 210 C CB -0.893 26.137 27.740 -1.183 0.000 1.989 210 C HN 0.461 nan 8.230 nan 0.000 0.491 211 R N 0.646 120.826 120.500 -0.533 0.000 2.092 211 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 211 R C 2.453 178.536 176.300 -0.361 0.000 1.119 211 R CA 1.417 57.180 56.100 -0.560 0.000 0.970 211 R CB -1.216 28.493 30.300 -0.985 0.000 0.864 211 R HN 0.553 nan 8.270 nan 0.000 0.440 212 S N 0.377 116.016 115.700 -0.102 0.000 2.447 212 S HA -0.003 4.467 4.470 -0.000 0.000 0.233 212 S C 1.866 176.556 174.600 0.149 0.000 1.006 212 S CA 0.661 58.957 58.200 0.159 0.000 0.957 212 S CB 0.019 63.348 63.200 0.214 0.000 0.773 212 S HN 0.231 nan 8.310 nan 0.000 0.507 213 I N 0.742 121.356 120.570 0.074 0.000 2.927 213 I HA 0.214 4.384 4.170 -0.000 0.000 0.268 213 I C 1.747 177.970 176.117 0.177 0.000 1.153 213 I CA 0.552 61.938 61.300 0.144 0.000 1.459 213 I CB -0.191 37.910 38.000 0.169 0.000 1.149 213 I HN 0.268 nan 8.210 nan 0.000 0.443 214 A N 1.894 124.823 122.820 0.182 0.000 2.916 214 A HA 0.415 4.735 4.320 -0.000 0.000 0.254 214 A C 0.394 177.968 177.584 -0.017 0.000 1.544 214 A CA -0.051 52.035 52.037 0.083 0.000 1.224 214 A CB -1.233 17.791 19.000 0.040 0.000 1.012 214 A HN 0.190 nan 8.150 nan 0.000 0.636 215 V N -4.213 115.718 119.914 0.029 0.000 3.181 215 V HA 0.510 4.630 4.120 -0.000 0.000 0.314 215 V C 0.849 176.893 176.094 -0.084 0.000 1.173 215 V CA -0.991 61.320 62.300 0.018 0.000 1.052 215 V CB 1.164 33.065 31.823 0.130 0.000 1.123 215 V HN 0.085 nan 8.190 nan 0.000 0.454 216 K N -0.359 119.912 120.400 -0.215 0.000 2.366 216 K HA 0.222 4.542 4.320 -0.000 0.000 0.198 216 K C -0.169 175.811 176.600 -1.034 0.000 1.044 216 K CA 1.266 57.180 56.287 -0.622 0.000 0.973 216 K CB -0.325 31.697 32.500 -0.797 0.000 0.767 216 K HN 0.716 nan 8.250 nan 0.000 0.475 217 F N 1.001 121.014 119.950 0.106 0.000 2.710 217 F HA 0.281 4.808 4.527 -0.000 0.000 0.345 217 F C -2.463 173.420 175.800 0.138 0.000 1.362 217 F CA -2.343 55.721 58.000 0.105 0.000 1.175 217 F CB 1.215 40.275 39.000 0.101 0.000 1.561 217 F HN -0.260 nan 8.300 nan 0.000 0.593 218 P HA -0.121 nan 4.420 nan 0.000 0.266 218 P C -0.410 177.029 177.300 0.232 0.000 1.195 218 P CA 0.154 63.373 63.100 0.199 0.000 0.768 218 P CB 0.501 32.279 31.700 0.130 0.000 0.838 219 F N 6.242 126.260 119.950 0.112 0.000 2.438 219 F HA 0.256 4.783 4.527 -0.000 0.000 0.360 219 F C -1.508 174.327 175.800 0.058 0.000 1.118 219 F CA -2.290 55.759 58.000 0.083 0.000 1.164 219 F CB 0.302 39.341 39.000 0.065 0.000 1.131 219 F HN 0.374 nan 8.300 nan 0.000 0.527 220 P HA -0.347 nan 4.420 nan 0.000 0.218 220 P C 1.432 178.622 177.300 -0.183 0.000 1.165 220 P CA 3.004 65.954 63.100 -0.251 0.000 0.922 220 P CB 0.010 31.522 31.700 -0.313 0.000 0.794 221 A N -0.683 121.955 122.820 -0.304 0.000 2.032 221 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 221 A C 2.288 179.907 177.584 0.060 0.000 1.165 221 A CA 2.249 54.271 52.037 -0.025 0.000 0.645 221 A CB -1.595 17.506 19.000 0.168 0.000 0.807 221 A HN 0.244 nan 8.150 nan 0.000 0.453 222 A N -0.384 122.539 122.820 0.172 0.000 1.865 222 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 222 A C 2.459 179.968 177.584 -0.124 0.000 1.191 222 A CA 2.222 54.283 52.037 0.039 0.000 0.623 222 A CB -1.041 18.062 19.000 0.171 0.000 0.826 222 A HN 0.495 nan 8.150 nan 0.000 0.444 223 S N -0.574 115.115 115.700 -0.019 0.000 2.370 223 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 223 S C 2.017 176.612 174.600 -0.008 0.000 1.033 223 S CA 1.860 60.075 58.200 0.026 0.000 1.011 223 S CB -0.608 62.640 63.200 0.080 0.000 0.852 223 S HN 0.707 nan 8.310 nan 0.000 0.457 224 T N 2.674 117.200 114.554 -0.047 0.000 2.821 224 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 224 T C 1.734 176.365 174.700 -0.115 0.000 1.046 224 T CA 0.864 62.933 62.100 -0.051 0.000 1.139 224 T CB -0.296 68.548 68.868 -0.040 0.000 0.871 224 T HN 0.356 nan 8.240 nan 0.000 0.454 225 N N 1.147 119.695 118.700 -0.253 0.000 2.135 225 N HA -0.021 4.719 4.740 -0.000 0.000 0.186 225 N C 1.860 177.060 175.510 -0.517 0.000 1.027 225 N CA 0.738 53.524 53.050 -0.440 0.000 0.849 225 N CB -0.482 37.538 38.487 -0.778 0.000 1.002 225 N HN 0.191 nan 8.380 nan 0.000 0.425 226 L N 2.450 123.302 121.223 -0.620 0.000 1.971 226 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 226 L C 2.455 179.276 176.870 -0.081 0.000 1.072 226 L CA 1.809 56.457 54.840 -0.320 0.000 0.758 226 L CB -1.105 40.764 42.059 -0.317 0.000 0.889 226 L HN 0.193 nan 8.230 nan 0.000 0.433 227 Q N -0.155 119.669 119.800 0.040 0.000 2.152 227 Q HA -0.318 4.022 4.340 -0.000 0.000 0.206 227 Q C 2.311 178.341 176.000 0.050 0.000 0.985 227 Q CA 2.459 58.349 55.803 0.145 0.000 0.863 227 Q CB -0.126 28.692 28.738 0.134 0.000 0.904 227 Q HN 0.587 nan 8.270 nan 0.000 0.422 228 K N -0.382 120.016 120.400 -0.004 0.000 2.116 228 K HA 0.022 4.342 4.320 -0.000 0.000 0.203 228 K C 1.934 178.548 176.600 0.022 0.000 1.052 228 K CA 1.082 57.370 56.287 0.002 0.000 0.952 228 K CB -0.255 32.238 32.500 -0.012 0.000 0.729 228 K HN 0.224 nan 8.250 nan 0.000 0.446 229 A N 0.605 123.445 122.820 0.034 0.000 1.969 229 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 229 A C 1.999 179.612 177.584 0.048 0.000 1.169 229 A CA 1.122 53.211 52.037 0.086 0.000 0.635 229 A CB -0.500 18.619 19.000 0.197 0.000 0.810 229 A HN 0.283 nan 8.150 nan 0.000 0.445 230 L N -0.960 120.283 121.223 0.034 0.000 2.095 230 L HA -0.080 4.260 4.340 -0.000 0.000 0.204 230 L C 2.723 179.582 176.870 -0.018 0.000 1.080 230 L CA 1.277 56.124 54.840 0.012 0.000 0.759 230 L CB -0.578 41.512 42.059 0.051 0.000 0.914 230 L HN 0.278 nan 8.230 nan 0.000 0.439 231 S N -0.168 115.531 115.700 -0.001 0.000 2.419 231 S HA -0.213 4.257 4.470 -0.000 0.000 0.235 231 S C 1.940 176.525 174.600 -0.025 0.000 1.019 231 S CA 1.398 59.587 58.200 -0.019 0.000 0.982 231 S CB -0.120 63.078 63.200 -0.004 0.000 0.789 231 S HN 0.321 nan 8.310 nan 0.000 0.490 232 K N 1.389 121.782 120.400 -0.011 0.000 2.044 232 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 232 K C 2.267 178.846 176.600 -0.035 0.000 1.049 232 K CA 0.980 57.261 56.287 -0.011 0.000 0.945 232 K CB -0.359 32.149 32.500 0.012 0.000 0.724 232 K HN 0.259 nan 8.250 nan 0.000 0.440 233 A N 1.393 124.184 122.820 -0.048 0.000 1.978 233 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 233 A C 1.926 179.454 177.584 -0.093 0.000 1.170 233 A CA 1.189 53.177 52.037 -0.082 0.000 0.636 233 A CB -0.566 18.384 19.000 -0.084 0.000 0.810 233 A HN 0.366 nan 8.150 nan 0.000 0.448 234 L N -0.737 120.423 121.223 -0.106 0.000 2.610 234 L HA -0.029 4.311 4.340 -0.000 0.000 0.232 234 L C 1.811 178.639 176.870 -0.070 0.000 1.149 234 L CA 0.458 55.216 54.840 -0.136 0.000 0.872 234 L CB -0.297 41.642 42.059 -0.199 0.000 0.992 234 L HN 0.502 nan 8.230 nan 0.000 0.447 235 E N -0.900 119.271 120.200 -0.048 0.000 2.385 235 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 235 E C 0.943 177.529 176.600 -0.022 0.000 1.013 235 E CA -0.134 56.250 56.400 -0.026 0.000 0.866 235 E CB 0.448 30.137 29.700 -0.018 0.000 0.832 235 E HN 0.157 nan 8.360 nan 0.000 0.500 236 S N 0.483 116.163 115.700 -0.034 0.000 2.592 236 S HA 0.207 4.677 4.470 -0.000 0.000 0.271 236 S C 0.169 174.760 174.600 -0.015 0.000 1.326 236 S CA -0.606 57.575 58.200 -0.030 0.000 1.024 236 S CB 0.646 63.815 63.200 -0.053 0.000 0.921 236 S HN 0.046 nan 8.310 nan 0.000 0.527 237 R N 1.697 122.193 120.500 -0.008 0.000 2.577 237 R HA 0.245 4.585 4.340 -0.000 0.000 0.269 237 R C -0.396 175.908 176.300 0.008 0.000 1.084 237 R CA -0.791 55.314 56.100 0.009 0.000 1.163 237 R CB 0.202 30.509 30.300 0.011 0.000 1.100 237 R HN 0.650 nan 8.270 nan 0.000 0.547 238 D N 1.683 122.102 120.400 0.032 0.000 2.506 238 D HA -0.075 4.565 4.640 -0.000 0.000 0.234 238 D C 0.105 176.419 176.300 0.024 0.000 1.143 238 D CA 0.439 54.466 54.000 0.045 0.000 0.871 238 D CB 0.480 41.328 40.800 0.079 0.000 1.190 238 D HN 0.301 nan 8.370 nan 0.000 0.459 239 E N 1.299 121.496 120.200 -0.005 0.000 2.383 239 E HA 0.008 4.358 4.350 -0.000 0.000 0.257 239 E C 0.407 177.065 176.600 0.096 0.000 1.079 239 E CA -0.019 56.353 56.400 -0.047 0.000 0.934 239 E CB 0.445 29.960 29.700 -0.307 0.000 0.978 239 E HN 0.167 nan 8.360 nan 0.000 0.462 240 V N 4.784 124.740 119.914 0.070 0.000 2.515 240 V HA -0.156 3.964 4.120 -0.000 0.000 0.250 240 V C 0.851 177.032 176.094 0.147 0.000 1.058 240 V CA 1.250 63.609 62.300 0.098 0.000 1.064 240 V CB -0.542 31.318 31.823 0.061 0.000 0.675 240 V HN 0.574 nan 8.190 nan 0.000 0.461 241 K N 0.297 120.795 120.400 0.165 0.000 2.436 241 K HA 0.073 4.393 4.320 -0.000 0.000 0.275 241 K C 1.051 177.872 176.600 0.368 0.000 0.999 241 K CA 0.327 56.751 56.287 0.229 0.000 0.980 241 K CB 0.698 33.330 32.500 0.220 0.000 0.919 241 K HN 0.081 nan 8.250 nan 0.000 0.484 242 T N 1.442 116.136 114.554 0.234 0.000 3.037 242 T HA -0.020 4.330 4.350 -0.000 0.000 0.252 242 T C 0.191 174.925 174.700 0.056 0.000 1.073 242 T CA 0.691 62.873 62.100 0.136 0.000 1.091 242 T CB 0.185 69.092 68.868 0.065 0.000 0.935 242 T HN 0.371 nan 8.240 nan 0.000 0.488 243 K N 1.210 121.700 120.400 0.151 0.000 2.425 243 K HA 0.257 4.577 4.320 -0.000 0.000 0.259 243 K C -1.402 175.390 176.600 0.320 0.000 0.978 243 K CA -0.744 55.609 56.287 0.111 0.000 0.883 243 K CB 0.740 33.279 32.500 0.065 0.000 1.110 243 K HN 0.005 nan 8.250 nan 0.000 0.436 244 W N 1.976 123.320 121.300 0.074 0.000 2.303 244 W HA 0.400 5.060 4.660 -0.000 0.000 0.334 244 W C 0.816 177.375 176.519 0.067 0.000 1.197 244 W CA -0.823 56.581 57.345 0.098 0.000 1.262 244 W CB 0.769 30.338 29.460 0.182 0.000 1.153 244 W HN 0.683 nan 8.180 nan 0.000 0.596 245 G N 0.236 109.203 108.800 0.278 0.000 2.511 245 G HA2 0.389 4.349 3.960 -0.000 0.000 0.316 245 G HA3 0.389 4.349 3.960 -0.000 0.000 0.316 245 G C 0.430 175.422 174.900 0.155 0.000 1.210 245 G CA -0.708 44.472 45.100 0.134 0.000 0.969 245 G HN 0.306 nan 8.290 nan 0.000 0.492 246 V N 0.349 120.280 119.914 0.029 0.000 2.332 246 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 246 V C 3.055 179.256 176.094 0.178 0.000 1.055 246 V CA 2.549 64.852 62.300 0.005 0.000 1.038 246 V CB -0.718 31.012 31.823 -0.155 0.000 0.651 246 V HN 0.703 nan 8.190 nan 0.000 0.450 247 S N -0.303 115.465 115.700 0.113 0.000 2.368 247 S HA -0.223 4.247 4.470 -0.000 0.000 0.224 247 S C 1.764 176.415 174.600 0.085 0.000 1.029 247 S CA 1.704 59.973 58.200 0.115 0.000 0.988 247 S CB -0.477 62.764 63.200 0.069 0.000 0.838 247 S HN 0.676 nan 8.310 nan 0.000 0.462 248 D N 0.466 120.889 120.400 0.039 0.000 2.097 248 D HA -0.093 4.547 4.640 -0.000 0.000 0.195 248 D C 1.599 177.798 176.300 -0.168 0.000 0.989 248 D CA 1.029 54.931 54.000 -0.164 0.000 0.827 248 D CB -0.599 40.031 40.800 -0.283 0.000 0.966 248 D HN 0.507 nan 8.370 nan 0.000 0.456 249 F N 1.792 121.797 119.950 0.092 0.000 2.043 249 F HA -0.205 4.322 4.527 -0.000 0.000 0.297 249 F C 2.340 178.317 175.800 0.296 0.000 1.121 249 F CA 1.369 59.591 58.000 0.369 0.000 1.199 249 F CB -0.407 38.903 39.000 0.517 0.000 0.968 249 F HN -0.161 nan 8.300 nan 0.000 0.478 250 I N 0.455 121.285 120.570 0.433 0.000 2.194 250 I HA -0.378 3.792 4.170 -0.000 0.000 0.246 250 I C 2.606 178.818 176.117 0.159 0.000 1.093 250 I CA 1.959 63.460 61.300 0.335 0.000 1.355 250 I CB -0.664 37.545 38.000 0.348 0.000 1.046 250 I HN 0.235 nan 8.210 nan 0.000 0.413 251 K N 1.372 121.797 120.400 0.042 0.000 2.026 251 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 251 K C 2.210 178.761 176.600 -0.082 0.000 1.048 251 K CA 1.667 57.919 56.287 -0.059 0.000 0.929 251 K CB -0.138 32.286 32.500 -0.128 0.000 0.713 251 K HN 0.287 nan 8.250 nan 0.000 0.439 252 A N 0.716 123.425 122.820 -0.185 0.000 1.933 252 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 252 A C 1.986 179.590 177.584 0.033 0.000 1.175 252 A CA 1.319 53.259 52.037 -0.161 0.000 0.628 252 A CB -0.776 17.959 19.000 -0.441 0.000 0.814 252 A HN 0.546 nan 8.150 nan 0.000 0.444 253 F N 0.643 120.484 119.950 -0.182 0.000 2.146 253 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 253 F C 1.940 177.844 175.800 0.174 0.000 1.096 253 F CA 1.562 59.519 58.000 -0.072 0.000 1.275 253 F CB -0.198 38.693 39.000 -0.182 0.000 1.008 253 F HN 0.175 nan 8.300 nan 0.000 0.480 254 I N 0.267 120.935 120.570 0.164 0.000 2.286 254 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 254 I C 2.346 178.476 176.117 0.023 0.000 1.115 254 I CA 1.449 62.794 61.300 0.075 0.000 1.392 254 I CB -0.528 37.517 38.000 0.075 0.000 1.065 254 I HN 0.129 nan 8.210 nan 0.000 0.418 255 K N 0.188 120.595 120.400 0.012 0.000 2.148 255 K HA -0.196 4.124 4.320 -0.000 0.000 0.204 255 K C 2.104 178.721 176.600 0.029 0.000 1.050 255 K CA 1.409 57.675 56.287 -0.036 0.000 0.942 255 K CB -0.226 32.267 32.500 -0.012 0.000 0.724 255 K HN 0.181 nan 8.250 nan 0.000 0.446 256 F N 1.388 121.306 119.950 -0.054 0.000 2.069 256 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 256 F C 1.981 177.654 175.800 -0.213 0.000 1.113 256 F CA 1.814 59.756 58.000 -0.095 0.000 1.214 256 F CB -0.242 38.589 39.000 -0.281 0.000 0.978 256 F HN 0.115 nan 8.300 nan 0.000 0.474 257 H N -0.582 118.482 119.070 -0.010 0.000 2.457 257 H HA 0.020 4.576 4.556 -0.000 0.000 0.294 257 H C 2.438 177.742 175.328 -0.041 0.000 1.064 257 H CA 1.113 57.126 56.048 -0.059 0.000 1.330 257 H CB -0.804 28.886 29.762 -0.121 0.000 1.395 257 H HN 0.434 nan 8.280 nan 0.000 0.541 258 G N 0.143 108.942 108.800 -0.002 0.000 2.433 258 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 258 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 258 G C 1.289 176.137 174.900 -0.087 0.000 1.186 258 G CA 0.800 45.870 45.100 -0.050 0.000 0.779 258 G HN 0.439 nan 8.290 nan 0.000 0.543 259 H N 0.163 119.167 119.070 -0.110 0.000 2.290 259 H HA -0.081 4.475 4.556 -0.000 0.000 0.298 259 H C 2.879 178.109 175.328 -0.163 0.000 1.087 259 H CA 1.542 57.493 56.048 -0.160 0.000 1.291 259 H CB -0.617 28.987 29.762 -0.263 0.000 1.369 259 H HN 0.184 nan 8.280 nan 0.000 0.492 260 V N 0.634 120.477 119.914 -0.119 0.000 2.237 260 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 260 V C 2.295 178.438 176.094 0.081 0.000 1.046 260 V CA 1.913 64.159 62.300 -0.090 0.000 1.007 260 V CB -0.878 30.842 31.823 -0.172 0.000 0.638 260 V HN 0.316 nan 8.190 nan 0.000 0.445 261 Y N 0.342 120.661 120.300 0.032 0.000 2.207 261 Y HA -0.183 4.367 4.550 -0.000 0.000 0.287 261 Y C 1.996 177.936 175.900 0.067 0.000 1.156 261 Y CA 1.625 59.788 58.100 0.105 0.000 1.182 261 Y CB -0.089 38.441 38.460 0.115 0.000 0.979 261 Y HN 0.177 nan 8.280 nan 0.000 0.521 262 L N -1.269 119.983 121.223 0.049 0.000 2.607 262 L HA 0.120 4.460 4.340 -0.000 0.000 0.228 262 L C 0.971 177.819 176.870 -0.038 0.000 1.123 262 L CA 0.454 55.272 54.840 -0.038 0.000 0.890 262 L CB -0.217 41.842 42.059 0.001 0.000 1.103 262 L HN -0.112 nan 8.230 nan 0.000 0.468 263 S N 0.838 116.524 115.700 -0.023 0.000 3.549 263 S HA -0.224 4.246 4.470 -0.000 0.000 0.366 263 S C 0.239 174.837 174.600 -0.004 0.000 1.012 263 S CA 0.970 59.156 58.200 -0.023 0.000 1.141 263 S CB -1.175 62.001 63.200 -0.040 0.000 0.910 263 S HN 0.544 nan 8.310 nan 0.000 0.471 264 K N 1.155 121.574 120.400 0.031 0.000 2.316 264 K HA 0.484 4.804 4.320 -0.000 0.000 0.251 264 K C 0.559 177.248 176.600 0.148 0.000 0.934 264 K CA 0.051 56.371 56.287 0.055 0.000 0.802 264 K CB 1.311 33.830 32.500 0.031 0.000 1.171 264 K HN 0.494 nan 8.250 nan 0.000 0.426 265 S N 2.516 118.268 115.700 0.086 0.000 3.477 265 S HA -0.172 4.298 4.470 -0.000 0.000 0.371 265 S C 0.727 175.283 174.600 -0.073 0.000 0.965 265 S CA 0.818 59.051 58.200 0.055 0.000 1.239 265 S CB -2.164 61.119 63.200 0.137 0.000 0.918 265 S HN 0.673 nan 8.310 nan 0.000 0.498 266 L N -0.286 120.889 121.223 -0.080 0.000 2.450 266 L HA -0.118 4.222 4.340 -0.000 0.000 0.224 266 L C 2.347 179.106 176.870 -0.186 0.000 1.149 266 L CA 1.562 56.304 54.840 -0.163 0.000 0.816 266 L CB -0.700 41.300 42.059 -0.098 0.000 0.932 266 L HN 0.490 nan 8.230 nan 0.000 0.449 267 E N -0.034 120.085 120.200 -0.136 0.000 2.401 267 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 267 E C 1.820 178.342 176.600 -0.129 0.000 1.023 267 E CA 0.606 56.946 56.400 -0.100 0.000 0.859 267 E CB -0.137 29.528 29.700 -0.058 0.000 0.780 267 E HN 0.324 nan 8.360 nan 0.000 0.523 268 K N 0.292 120.539 120.400 -0.254 0.000 2.186 268 K HA 0.078 4.398 4.320 -0.000 0.000 0.202 268 K C 2.025 178.519 176.600 -0.177 0.000 1.052 268 K CA 0.343 56.473 56.287 -0.261 0.000 0.965 268 K CB -0.187 31.986 32.500 -0.545 0.000 0.746 268 K HN 0.223 nan 8.250 nan 0.000 0.457 269 L N 0.899 121.983 121.223 -0.232 0.000 1.978 269 L HA -0.298 4.042 4.340 -0.000 0.000 0.218 269 L C 2.687 179.603 176.870 0.078 0.000 1.075 269 L CA 1.675 56.468 54.840 -0.078 0.000 0.767 269 L CB -0.977 40.975 42.059 -0.178 0.000 0.890 269 L HN 0.198 nan 8.230 nan 0.000 0.434 270 S N 0.098 115.816 115.700 0.030 0.000 2.377 270 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 270 S C -0.207 174.434 174.600 0.068 0.000 1.042 270 S CA 2.360 60.590 58.200 0.051 0.000 1.086 270 S CB -1.111 62.104 63.200 0.025 0.000 0.995 270 S HN 0.194 nan 8.310 nan 0.000 0.428 271 P HA -0.044 nan 4.420 nan 0.000 0.218 271 P C 1.546 178.912 177.300 0.110 0.000 1.148 271 P CA 0.660 63.802 63.100 0.069 0.000 0.822 271 P CB -0.090 31.646 31.700 0.060 0.000 0.784 272 L N -0.539 120.772 121.223 0.146 0.000 2.072 272 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 272 L C 2.515 179.503 176.870 0.197 0.000 1.079 272 L CA 1.709 56.687 54.840 0.231 0.000 0.752 272 L CB -1.016 41.215 42.059 0.288 0.000 0.906 272 L HN -0.218 nan 8.230 nan 0.000 0.436 273 R N -0.631 119.970 120.500 0.169 0.000 2.080 273 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 273 R C 2.145 178.481 176.300 0.061 0.000 1.137 273 R CA 1.666 57.792 56.100 0.044 0.000 0.943 273 R CB -0.141 30.202 30.300 0.072 0.000 0.846 273 R HN 0.377 nan 8.270 nan 0.000 0.431 274 E N 0.620 120.862 120.200 0.071 0.000 2.038 274 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 274 E C 1.909 178.530 176.600 0.036 0.000 1.000 274 E CA 1.338 57.772 56.400 0.057 0.000 0.803 274 E CB -0.179 29.546 29.700 0.042 0.000 0.750 274 E HN 0.104 nan 8.360 nan 0.000 0.448 275 K N 0.984 121.391 120.400 0.013 0.000 2.057 275 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 275 K C 2.278 178.787 176.600 -0.153 0.000 1.049 275 K CA 0.774 56.982 56.287 -0.131 0.000 0.931 275 K CB -0.519 31.914 32.500 -0.111 0.000 0.714 275 K HN 0.044 nan 8.250 nan 0.000 0.440 276 L N 0.827 122.102 121.223 0.088 0.000 2.042 276 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 276 L C 2.457 179.607 176.870 0.467 0.000 1.076 276 L CA 2.030 57.058 54.840 0.314 0.000 0.749 276 L CB -0.564 41.656 42.059 0.268 0.000 0.893 276 L HN 0.450 nan 8.230 nan 0.000 0.432 277 E N 0.399 120.811 120.200 0.354 0.000 2.152 277 E HA -0.269 4.081 4.350 -0.000 0.000 0.192 277 E C 1.821 178.567 176.600 0.243 0.000 0.983 277 E CA 1.187 57.839 56.400 0.420 0.000 0.818 277 E CB -0.248 29.657 29.700 0.342 0.000 0.758 277 E HN 0.698 nan 8.360 nan 0.000 0.467 278 E N 0.878 121.137 120.200 0.099 0.000 2.072 278 E HA -0.219 4.131 4.350 -0.000 0.000 0.190 278 E C 2.217 178.803 176.600 -0.024 0.000 0.982 278 E CA 0.822 57.220 56.400 -0.004 0.000 0.803 278 E CB -0.140 29.514 29.700 -0.076 0.000 0.755 278 E HN 0.081 nan 8.360 nan 0.000 0.453 279 Q N -0.091 119.692 119.800 -0.028 0.000 2.119 279 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 279 Q C 1.969 178.058 176.000 0.149 0.000 0.972 279 Q CA 1.141 56.957 55.803 0.020 0.000 0.847 279 Q CB -0.482 28.244 28.738 -0.019 0.000 0.903 279 Q HN 0.415 nan 8.270 nan 0.000 0.433 280 F N 1.924 121.937 119.950 0.105 0.000 2.171 280 F HA -0.180 4.346 4.527 -0.000 0.000 0.300 280 F C 2.234 177.946 175.800 -0.148 0.000 1.090 280 F CA 1.508 59.382 58.000 -0.210 0.000 1.293 280 F CB -0.048 38.743 39.000 -0.349 0.000 1.013 280 F HN -0.014 nan 8.300 nan 0.000 0.486 281 K N 0.311 120.620 120.400 -0.152 0.000 2.025 281 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 281 K C 2.293 178.824 176.600 -0.115 0.000 1.049 281 K CA 1.665 57.854 56.287 -0.164 0.000 0.933 281 K CB -0.456 31.952 32.500 -0.153 0.000 0.714 281 K HN 0.399 nan 8.250 nan 0.000 0.438 282 E N 0.675 120.788 120.200 -0.145 0.000 2.077 282 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 282 E C 2.147 178.687 176.600 -0.100 0.000 0.989 282 E CA 1.003 57.323 56.400 -0.133 0.000 0.800 282 E CB -0.006 29.620 29.700 -0.123 0.000 0.746 282 E HN 0.333 nan 8.360 nan 0.000 0.452 283 L N 0.538 121.675 121.223 -0.143 0.000 2.017 283 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 283 L C 2.789 179.520 176.870 -0.232 0.000 1.073 283 L CA 0.673 55.372 54.840 -0.235 0.000 0.745 283 L CB -0.476 41.392 42.059 -0.318 0.000 0.894 283 L HN 0.242 nan 8.230 nan 0.000 0.432 284 L N -0.552 120.559 121.223 -0.188 0.000 2.012 284 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 284 L C 2.238 179.025 176.870 -0.139 0.000 1.073 284 L CA 1.939 56.666 54.840 -0.188 0.000 0.748 284 L CB -0.470 41.202 42.059 -0.645 0.000 0.891 284 L HN 0.012 nan 8.230 nan 0.000 0.431 285 F N -0.697 119.112 119.950 -0.235 0.000 2.407 285 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 285 F C 2.219 177.885 175.800 -0.223 0.000 1.097 285 F CA 0.768 58.651 58.000 -0.196 0.000 1.422 285 F CB -0.511 38.357 39.000 -0.221 0.000 1.067 285 F HN 0.208 nan 8.300 nan 0.000 0.539 286 Q N 0.356 120.111 119.800 -0.074 0.000 2.247 286 Q HA 0.062 4.402 4.340 -0.000 0.000 0.205 286 Q C -0.013 175.843 176.000 -0.240 0.000 0.896 286 Q CA -0.022 55.685 55.803 -0.160 0.000 0.950 286 Q CB -0.050 28.599 28.738 -0.148 0.000 1.054 286 Q HN 0.210 nan 8.270 nan 0.000 0.482 287 K N -1.498 118.735 120.400 -0.279 0.000 3.035 287 K HA -0.278 4.042 4.320 -0.000 0.000 0.262 287 K C 0.557 176.895 176.600 -0.436 0.000 1.024 287 K CA 0.349 56.389 56.287 -0.413 0.000 0.748 287 K CB -1.546 30.718 32.500 -0.395 0.000 1.247 287 K HN 0.343 nan 8.250 nan 0.000 0.482 288 A N -0.025 122.475 122.820 -0.534 0.000 2.066 288 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 288 A C 0.488 177.617 177.584 -0.758 0.000 1.157 288 A CA 0.793 52.410 52.037 -0.700 0.000 0.670 288 A CB -0.032 18.398 19.000 -0.950 0.000 0.804 288 A HN 0.301 nan 8.150 nan 0.000 0.453 289 F N -0.126 119.649 119.950 -0.292 0.000 2.538 289 F HA 0.488 5.015 4.527 -0.000 0.000 0.325 289 F C 0.147 175.752 175.800 -0.325 0.000 1.066 289 F CA -1.465 56.387 58.000 -0.247 0.000 0.946 289 F CB 1.104 39.996 39.000 -0.179 0.000 1.199 289 F HN 0.163 nan 8.300 nan 0.000 0.473 290 N N -1.258 117.421 118.700 -0.034 0.000 2.485 290 N HA 0.275 5.015 4.740 -0.000 0.000 0.280 290 N C 0.662 176.158 175.510 -0.024 0.000 1.205 290 N CA -0.317 52.670 53.050 -0.106 0.000 0.959 290 N CB 0.915 39.339 38.487 -0.105 0.000 1.206 290 N HN 0.588 nan 8.380 nan 0.000 0.545 291 S N -0.245 115.465 115.700 0.016 0.000 2.392 291 S HA -0.336 4.134 4.470 -0.000 0.000 0.232 291 S C 1.426 175.958 174.600 -0.114 0.000 1.041 291 S CA 1.336 59.541 58.200 0.010 0.000 1.026 291 S CB -0.623 62.592 63.200 0.025 0.000 0.845 291 S HN 0.623 nan 8.310 nan 0.000 0.465 292 Q N 1.277 120.964 119.800 -0.188 0.000 2.124 292 Q HA 0.006 4.346 4.340 -0.000 0.000 0.202 292 Q C 2.473 178.114 176.000 -0.598 0.000 0.977 292 Q CA 1.812 57.380 55.803 -0.392 0.000 0.850 292 Q CB -0.446 28.064 28.738 -0.380 0.000 0.901 292 Q HN 0.767 nan 8.270 nan 0.000 0.429 293 Q N -0.452 119.147 119.800 -0.335 0.000 2.172 293 Q HA -0.023 4.317 4.340 -0.000 0.000 0.200 293 Q C 1.936 177.806 176.000 -0.216 0.000 0.964 293 Q CA 0.770 56.439 55.803 -0.223 0.000 0.855 293 Q CB 0.026 28.783 28.738 0.031 0.000 0.918 293 Q HN 0.368 nan 8.270 nan 0.000 0.444 294 L N -0.307 120.793 121.223 -0.204 0.000 2.072 294 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 294 L C 2.290 179.072 176.870 -0.146 0.000 1.079 294 L CA 0.607 55.329 54.840 -0.197 0.000 0.752 294 L CB -0.413 41.582 42.059 -0.107 0.000 0.906 294 L HN 0.072 nan 8.230 nan 0.000 0.436 295 V N -0.511 119.295 119.914 -0.180 0.000 2.407 295 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 295 V C 2.328 178.335 176.094 -0.146 0.000 1.055 295 V CA 1.809 64.019 62.300 -0.150 0.000 1.049 295 V CB -0.738 30.963 31.823 -0.204 0.000 0.662 295 V HN 0.482 nan 8.190 nan 0.000 0.455 296 H N -0.993 117.859 119.070 -0.362 0.000 2.270 296 H HA -0.151 4.404 4.556 -0.000 0.000 0.299 296 H C 2.379 177.643 175.328 -0.107 0.000 1.077 296 H CA 1.486 57.276 56.048 -0.430 0.000 1.294 296 H CB -0.104 29.368 29.762 -0.483 0.000 1.371 296 H HN 0.233 nan 8.280 nan 0.000 0.491 297 V N 0.589 120.499 119.914 -0.007 0.000 2.278 297 V HA -0.327 3.792 4.120 -0.000 0.000 0.251 297 V C 2.332 178.491 176.094 0.108 0.000 1.062 297 V CA 2.423 64.661 62.300 -0.104 0.000 1.038 297 V CB -0.679 30.911 31.823 -0.388 0.000 0.646 297 V HN 0.579 nan 8.190 nan 0.000 0.447 298 T N -0.571 114.033 114.554 0.083 0.000 2.821 298 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 298 T C 1.877 176.673 174.700 0.160 0.000 1.046 298 T CA 1.447 63.653 62.100 0.176 0.000 1.139 298 T CB -0.141 68.818 68.868 0.151 0.000 0.871 298 T HN 0.307 nan 8.240 nan 0.000 0.454 299 V N 1.260 121.235 119.914 0.101 0.000 2.515 299 V HA -0.039 4.081 4.120 -0.000 0.000 0.250 299 V C 2.287 178.432 176.094 0.084 0.000 1.058 299 V CA 1.143 63.448 62.300 0.008 0.000 1.064 299 V CB -0.538 31.279 31.823 -0.010 0.000 0.675 299 V HN 0.494 nan 8.190 nan 0.000 0.461 300 I N 0.246 120.893 120.570 0.129 0.000 2.439 300 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 300 I C 2.152 178.299 176.117 0.049 0.000 1.139 300 I CA 1.443 62.761 61.300 0.029 0.000 1.438 300 I CB -0.412 37.541 38.000 -0.078 0.000 1.085 300 I HN 0.421 nan 8.210 nan 0.000 0.427 301 N N 0.767 119.573 118.700 0.176 0.000 2.106 301 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 301 N C 1.949 177.414 175.510 -0.075 0.000 1.029 301 N CA 0.952 54.125 53.050 0.206 0.000 0.848 301 N CB -0.003 38.644 38.487 0.266 0.000 1.007 301 N HN 0.194 nan 8.380 nan 0.000 0.423 302 L N 0.120 121.249 121.223 -0.157 0.000 2.012 302 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 302 L C 2.197 179.009 176.870 -0.097 0.000 1.073 302 L CA 1.044 55.632 54.840 -0.421 0.000 0.748 302 L CB -0.585 41.360 42.059 -0.190 0.000 0.891 302 L HN 0.210 nan 8.230 nan 0.000 0.431 303 F N 0.997 121.026 119.950 0.131 0.000 2.043 303 F HA -0.339 4.188 4.527 -0.000 0.000 0.297 303 F C 2.805 178.666 175.800 0.101 0.000 1.118 303 F CA 1.886 59.988 58.000 0.170 0.000 1.202 303 F CB -0.393 38.686 39.000 0.132 0.000 0.965 303 F HN 0.062 nan 8.300 nan 0.000 0.482 304 Q N 0.536 120.379 119.800 0.073 0.000 2.096 304 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 304 Q C 2.531 178.523 176.000 -0.013 0.000 0.982 304 Q CA 2.009 57.856 55.803 0.073 0.000 0.850 304 Q CB -0.780 28.158 28.738 0.333 0.000 0.901 304 Q HN 0.534 nan 8.270 nan 0.000 0.422 305 L N -0.515 120.631 121.223 -0.129 0.000 1.970 305 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 305 L C 2.532 179.432 176.870 0.051 0.000 1.071 305 L CA 1.811 56.563 54.840 -0.147 0.000 0.751 305 L CB -0.670 40.989 42.059 -0.667 0.000 0.889 305 L HN 0.301 nan 8.230 nan 0.000 0.432 306 H N -1.204 117.754 119.070 -0.187 0.000 2.387 306 H HA -0.254 4.302 4.556 -0.000 0.000 0.299 306 H C 2.251 177.476 175.328 -0.171 0.000 1.099 306 H CA 1.995 57.942 56.048 -0.168 0.000 1.315 306 H CB 0.028 29.606 29.762 -0.306 0.000 1.380 306 H HN 0.356 nan 8.280 nan 0.000 0.513 307 H N -0.613 118.286 119.070 -0.285 0.000 2.524 307 H HA 0.018 4.574 4.556 -0.000 0.000 0.282 307 H C 1.787 177.019 175.328 -0.159 0.000 1.016 307 H CA 1.300 57.166 56.048 -0.302 0.000 1.270 307 H CB -0.045 29.422 29.762 -0.493 0.000 1.394 307 H HN 0.400 nan 8.280 nan 0.000 0.568 308 L N -0.891 120.207 121.223 -0.208 0.000 2.253 308 L HA 0.244 4.584 4.340 -0.000 0.000 0.205 308 L C 0.285 177.021 176.870 -0.223 0.000 1.078 308 L CA 0.415 55.143 54.840 -0.187 0.000 0.805 308 L CB 0.297 42.408 42.059 0.087 0.000 0.963 308 L HN 0.034 nan 8.230 nan 0.000 0.459 309 R N 0.773 121.156 120.500 -0.196 0.000 2.713 309 R HA 0.153 4.493 4.340 -0.000 0.000 0.282 309 R C -1.301 174.824 176.300 -0.291 0.000 1.472 309 R CA -0.505 55.414 56.100 -0.302 0.000 1.060 309 R CB 1.216 31.099 30.300 -0.695 0.000 1.237 309 R HN 0.059 nan 8.270 nan 0.000 0.484 310 D N 1.046 121.191 120.400 -0.425 0.000 2.380 310 D HA -0.008 4.632 4.640 -0.000 0.000 0.254 310 D C 0.835 176.934 176.300 -0.334 0.000 1.288 310 D CA -0.407 53.164 54.000 -0.715 0.000 1.008 310 D CB 0.417 40.834 40.800 -0.638 0.000 1.099 310 D HN 0.275 nan 8.370 nan 0.000 0.537 311 F N -1.022 118.885 119.950 -0.071 0.000 2.373 311 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 311 F C 2.772 178.559 175.800 -0.023 0.000 1.080 311 F CA 1.116 59.120 58.000 0.006 0.000 1.417 311 F CB -0.238 38.796 39.000 0.057 0.000 1.070 311 F HN 0.345 nan 8.300 nan 0.000 0.546 312 S N 0.537 116.299 115.700 0.103 0.000 2.399 312 S HA -0.278 4.192 4.470 -0.000 0.000 0.231 312 S C 1.826 176.446 174.600 0.034 0.000 1.022 312 S CA 1.735 59.968 58.200 0.056 0.000 0.983 312 S CB -0.614 62.593 63.200 0.012 0.000 0.803 312 S HN 0.457 nan 8.310 nan 0.000 0.480 313 N N 0.765 119.467 118.700 0.003 0.000 2.585 313 N HA -0.027 4.713 4.740 -0.000 0.000 0.188 313 N C 1.453 176.975 175.510 0.020 0.000 1.102 313 N CA 0.955 54.001 53.050 -0.008 0.000 0.920 313 N CB -0.018 38.417 38.487 -0.086 0.000 0.963 313 N HN 0.460 nan 8.380 nan 0.000 0.447 314 E N -1.622 118.612 120.200 0.056 0.000 2.400 314 E HA 0.097 4.447 4.350 -0.000 0.000 0.195 314 E C 0.405 177.037 176.600 0.054 0.000 1.012 314 E CA 0.693 57.134 56.400 0.069 0.000 0.875 314 E CB 0.500 30.266 29.700 0.111 0.000 0.859 314 E HN 0.257 nan 8.360 nan 0.000 0.498 315 T N 1.113 115.694 114.554 0.045 0.000 3.231 315 T HA 0.134 4.484 4.350 -0.000 0.000 0.292 315 T C -0.273 174.436 174.700 0.015 0.000 1.001 315 T CA -0.289 61.828 62.100 0.029 0.000 0.920 315 T CB 0.347 69.232 68.868 0.028 0.000 1.140 315 T HN 0.181 nan 8.240 nan 0.000 0.525 316 E N 0.522 120.729 120.200 0.012 0.000 2.597 316 E HA 0.252 4.602 4.350 -0.000 0.000 0.310 316 E C -1.467 175.128 176.600 -0.008 0.000 0.970 316 E CA -1.007 55.390 56.400 -0.006 0.000 0.819 316 E CB 0.832 30.528 29.700 -0.006 0.000 1.267 316 E HN 0.142 nan 8.360 nan 0.000 0.411 317 Q N 1.950 121.731 119.800 -0.032 0.000 2.368 317 Q HA 0.497 4.837 4.340 -0.000 0.000 0.237 317 Q C -0.630 175.320 176.000 -0.083 0.000 0.987 317 Q CA -0.200 55.582 55.803 -0.035 0.000 0.896 317 Q CB 1.004 29.715 28.738 -0.045 0.000 1.241 317 Q HN 0.620 nan 8.270 nan 0.000 0.485 318 H N -1.287 117.686 119.070 -0.162 0.000 3.014 318 H HA 0.242 4.798 4.556 -0.000 0.000 0.337 318 H C -1.206 173.876 175.328 -0.410 0.000 1.320 318 H CA -0.578 55.283 56.048 -0.312 0.000 1.128 318 H CB 1.781 31.274 29.762 -0.449 0.000 1.862 318 H HN 0.789 nan 8.280 nan 0.000 0.536 319 T N -0.212 114.307 114.554 -0.059 0.000 2.899 319 T HA 0.453 4.803 4.350 -0.000 0.000 0.284 319 T C -0.960 173.498 174.700 -0.403 0.000 1.004 319 T CA -0.364 61.664 62.100 -0.121 0.000 1.043 319 T CB 0.871 69.721 68.868 -0.030 0.000 1.013 319 T HN 0.362 nan 8.240 nan 0.000 0.518 320 Y N 0.098 120.380 120.300 -0.029 0.000 2.442 320 Y HA 0.517 5.067 4.550 -0.000 0.000 0.344 320 Y C 0.810 176.678 175.900 -0.052 0.000 0.976 320 Y CA -0.987 57.066 58.100 -0.078 0.000 1.040 320 Y CB 2.328 40.716 38.460 -0.120 0.000 1.228 320 Y HN 0.932 nan 8.280 nan 0.000 0.451 321 S N 1.355 117.111 115.700 0.094 0.000 2.560 321 S HA -0.072 4.398 4.470 -0.000 0.000 0.276 321 S C 1.168 175.803 174.600 0.058 0.000 1.350 321 S CA 0.049 58.275 58.200 0.045 0.000 1.024 321 S CB 0.807 64.017 63.200 0.016 0.000 0.864 321 S HN 0.902 nan 8.310 nan 0.000 0.536 322 Q N 0.978 120.799 119.800 0.034 0.000 2.135 322 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 322 Q C 1.385 177.400 176.000 0.026 0.000 0.981 322 Q CA 1.917 57.739 55.803 0.031 0.000 0.856 322 Q CB -0.177 28.572 28.738 0.019 0.000 0.902 322 Q HN 0.712 nan 8.270 nan 0.000 0.425 323 D N 0.630 121.039 120.400 0.014 0.000 2.117 323 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 323 D C 1.549 177.853 176.300 0.007 0.000 0.982 323 D CA 1.044 55.045 54.000 0.002 0.000 0.828 323 D CB -0.101 40.693 40.800 -0.010 0.000 0.967 323 D HN 0.340 nan 8.370 nan 0.000 0.464 324 E N 0.476 120.689 120.200 0.023 0.000 2.209 324 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 324 E C 2.074 178.671 176.600 -0.005 0.000 0.993 324 E CA 0.637 57.049 56.400 0.020 0.000 0.819 324 E CB 0.021 29.784 29.700 0.104 0.000 0.745 324 E HN 0.357 nan 8.360 nan 0.000 0.477 325 Q N 0.050 119.866 119.800 0.027 0.000 2.062 325 Q HA -0.110 4.230 4.340 -0.000 0.000 0.196 325 Q C 2.205 178.251 176.000 0.078 0.000 0.967 325 Q CA 0.515 56.342 55.803 0.040 0.000 0.832 325 Q CB 0.035 28.806 28.738 0.056 0.000 0.899 325 Q HN 0.175 nan 8.270 nan 0.000 0.442 326 L N 0.408 121.656 121.223 0.042 0.000 1.989 326 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 326 L C 2.183 179.061 176.870 0.013 0.000 1.071 326 L CA 1.865 56.718 54.840 0.023 0.000 0.749 326 L CB -0.954 41.102 42.059 -0.005 0.000 0.890 326 L HN 0.311 nan 8.230 nan 0.000 0.431 327 C N -0.853 118.445 119.300 -0.004 0.000 2.393 327 C HA -0.252 4.208 4.460 -0.000 0.000 0.276 327 C C 2.563 177.569 174.990 0.026 0.000 1.215 327 C CA 1.033 60.030 59.018 -0.034 0.000 1.743 327 C CB -1.636 26.083 27.740 -0.035 0.000 2.044 327 C HN 0.839 nan 8.230 nan 0.000 0.464 328 W N 1.505 122.730 121.300 -0.124 0.000 2.318 328 W HA -0.226 4.434 4.660 -0.000 0.000 0.313 328 W C 2.187 178.668 176.519 -0.062 0.000 1.221 328 W CA 2.355 59.623 57.345 -0.128 0.000 1.266 328 W CB -0.898 28.424 29.460 -0.230 0.000 1.150 328 W HN 0.321 nan 8.180 nan 0.000 0.496 329 T N 1.457 116.039 114.554 0.048 0.000 2.684 329 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 329 T C 1.777 176.436 174.700 -0.068 0.000 1.036 329 T CA 2.051 64.136 62.100 -0.024 0.000 1.148 329 T CB -0.474 68.427 68.868 0.056 0.000 0.863 329 T HN 0.169 nan 8.240 nan 0.000 0.436 330 Q N 0.315 120.109 119.800 -0.010 0.000 2.119 330 Q HA 0.038 4.378 4.340 -0.000 0.000 0.201 330 Q C 2.424 178.488 176.000 0.107 0.000 0.972 330 Q CA 0.873 56.717 55.803 0.068 0.000 0.847 330 Q CB -0.697 28.112 28.738 0.118 0.000 0.903 330 Q HN 0.398 nan 8.270 nan 0.000 0.433 331 L N 0.383 121.638 121.223 0.053 0.000 2.044 331 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 331 L C 2.145 178.890 176.870 -0.209 0.000 1.075 331 L CA 1.307 56.149 54.840 0.003 0.000 0.747 331 L CB -0.699 41.334 42.059 -0.044 0.000 0.903 331 L HN 0.160 nan 8.230 nan 0.000 0.435 332 L N -0.739 120.233 121.223 -0.419 0.000 2.083 332 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 332 L C 2.499 179.281 176.870 -0.147 0.000 1.083 332 L CA 1.442 56.028 54.840 -0.422 0.000 0.752 332 L CB -0.491 41.114 42.059 -0.756 0.000 0.899 332 L HN 0.458 nan 8.230 nan 0.000 0.433 333 A N -0.141 122.592 122.820 -0.145 0.000 1.858 333 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 333 A C 2.133 179.655 177.584 -0.103 0.000 1.190 333 A CA 1.783 53.772 52.037 -0.081 0.000 0.617 333 A CB -0.837 18.135 19.000 -0.046 0.000 0.827 333 A HN 0.411 nan 8.150 nan 0.000 0.443 334 L N -1.452 119.654 121.223 -0.194 0.000 2.013 334 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 334 L C 2.247 178.848 176.870 -0.448 0.000 1.073 334 L CA 2.483 57.076 54.840 -0.412 0.000 0.753 334 L CB -0.709 40.912 42.059 -0.729 0.000 0.890 334 L HN 0.451 nan 8.230 nan 0.000 0.432 335 F N -0.560 119.136 119.950 -0.424 0.000 2.065 335 F HA -0.313 4.214 4.527 -0.000 0.000 0.298 335 F C 2.279 178.021 175.800 -0.098 0.000 1.112 335 F CA 2.068 59.901 58.000 -0.278 0.000 1.212 335 F CB -0.281 38.577 39.000 -0.237 0.000 0.975 335 F HN 0.080 nan 8.300 nan 0.000 0.476 336 M N -0.114 119.392 119.600 -0.156 0.000 2.117 336 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 336 M C 2.364 178.573 176.300 -0.152 0.000 1.065 336 M CA 1.549 56.719 55.300 -0.218 0.000 1.114 336 M CB -1.766 30.769 32.600 -0.108 0.000 1.361 336 M HN 0.127 nan 8.290 nan 0.000 0.408 337 S N 0.469 116.152 115.700 -0.029 0.000 2.368 337 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 337 S C 1.762 176.523 174.600 0.268 0.000 1.030 337 S CA 1.003 59.285 58.200 0.137 0.000 0.999 337 S CB -0.371 62.944 63.200 0.191 0.000 0.844 337 S HN 0.249 nan 8.310 nan 0.000 0.459 338 F N 1.492 121.388 119.950 -0.090 0.000 2.126 338 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 338 F C 2.116 177.895 175.800 -0.035 0.000 1.096 338 F CA 0.252 58.210 58.000 -0.071 0.000 1.255 338 F CB -1.183 37.602 39.000 -0.358 0.000 0.997 338 F HN 0.162 nan 8.300 nan 0.000 0.479 339 L N 0.410 121.605 121.223 -0.046 0.000 2.012 339 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 339 L C 2.471 179.337 176.870 -0.006 0.000 1.073 339 L CA 2.290 57.054 54.840 -0.125 0.000 0.748 339 L CB -1.530 40.335 42.059 -0.323 0.000 0.891 339 L HN 0.133 nan 8.230 nan 0.000 0.431 340 G N -0.308 108.520 108.800 0.047 0.000 2.446 340 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 340 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 340 G C 1.656 176.665 174.900 0.182 0.000 1.168 340 G CA 1.225 46.482 45.100 0.261 0.000 0.771 340 G HN 0.491 nan 8.290 nan 0.000 0.551 341 I N 0.279 120.933 120.570 0.141 0.000 2.226 341 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 341 I C 2.715 178.798 176.117 -0.055 0.000 1.100 341 I CA 0.669 62.002 61.300 0.056 0.000 1.374 341 I CB -0.177 37.915 38.000 0.153 0.000 1.057 341 I HN 0.124 nan 8.210 nan 0.000 0.413 342 L N -0.392 120.820 121.223 -0.018 0.000 2.083 342 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 342 L C 2.649 179.433 176.870 -0.142 0.000 1.083 342 L CA 1.155 55.926 54.840 -0.115 0.000 0.752 342 L CB -0.555 41.488 42.059 -0.026 0.000 0.899 342 L HN 0.404 nan 8.230 nan 0.000 0.433 343 C N -0.604 118.664 119.300 -0.053 0.000 2.440 343 C HA -0.147 4.313 4.460 -0.000 0.000 0.278 343 C C 2.845 177.781 174.990 -0.090 0.000 1.295 343 C CA 0.626 59.630 59.018 -0.024 0.000 1.738 343 C CB -0.574 27.222 27.740 0.093 0.000 1.987 343 C HN 0.422 nan 8.230 nan 0.000 0.492 344 K N -0.129 120.166 120.400 -0.177 0.000 2.103 344 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 344 K C 2.197 178.660 176.600 -0.229 0.000 1.052 344 K CA 1.383 57.484 56.287 -0.309 0.000 0.945 344 K CB -0.402 31.690 32.500 -0.681 0.000 0.722 344 K HN 0.588 nan 8.250 nan 0.000 0.443 345 C N 1.322 120.385 119.300 -0.395 0.000 2.376 345 C HA -0.101 4.359 4.460 -0.000 0.000 0.275 345 C C -0.759 173.948 174.990 -0.472 0.000 1.200 345 C CA 1.245 59.777 59.018 -0.810 0.000 1.756 345 C CB -1.149 25.931 27.740 -1.099 0.000 2.050 345 C HN 0.361 nan 8.230 nan 0.000 0.460 346 P HA -0.109 nan 4.420 nan 0.000 0.216 346 P C 1.041 178.271 177.300 -0.117 0.000 1.154 346 P CA 1.624 64.584 63.100 -0.233 0.000 0.865 346 P CB -0.190 31.409 31.700 -0.168 0.000 0.789 347 L N -0.941 120.222 121.223 -0.100 0.000 2.783 347 L HA 0.156 4.495 4.340 -0.000 0.000 0.236 347 L C 1.762 178.625 176.870 -0.011 0.000 1.225 347 L CA 0.183 54.992 54.840 -0.051 0.000 1.026 347 L CB -0.391 41.633 42.059 -0.058 0.000 1.314 347 L HN 0.028 nan 8.230 nan 0.000 0.489 348 Q N -0.230 119.584 119.800 0.023 0.000 2.391 348 Q HA 0.146 4.486 4.340 -0.000 0.000 0.211 348 Q C 0.017 176.092 176.000 0.126 0.000 0.908 348 Q CA 0.489 56.344 55.803 0.087 0.000 0.920 348 Q CB 0.742 29.609 28.738 0.216 0.000 1.056 348 Q HN 0.548 nan 8.270 nan 0.000 0.523 354 E N 1.001 121.184 120.200 -0.028 0.000 2.485 354 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 354 E C 0.827 177.468 176.600 0.067 0.000 1.098 354 E CA 0.495 56.902 56.400 0.012 0.000 0.878 354 E CB 0.321 30.024 29.700 0.006 0.000 0.939 354 E HN 0.043 nan 8.360 nan 0.000 0.503 355 S N -0.581 115.175 115.700 0.093 0.000 3.036 355 S HA 0.055 4.525 4.470 -0.000 0.000 0.194 355 S C 1.605 176.487 174.600 0.470 0.000 0.797 355 S CA -0.325 58.027 58.200 0.254 0.000 0.822 355 S CB -0.453 62.908 63.200 0.269 0.000 0.810 355 S HN 0.343 nan 8.310 nan 0.000 0.629 356 Y N 3.394 123.758 120.300 0.106 0.000 2.315 356 Y HA -0.080 4.470 4.550 -0.000 0.000 0.288 356 Y C 0.874 176.650 175.900 -0.207 0.000 1.154 356 Y CA 0.631 58.771 58.100 0.066 0.000 1.229 356 Y CB -0.347 38.104 38.460 -0.015 0.000 0.980 356 Y HN 0.394 nan 8.280 nan 0.000 0.540 357 N N -0.938 117.771 118.700 0.014 0.000 2.362 357 N HA 0.488 5.228 4.740 -0.000 0.000 0.299 357 N C 0.163 175.616 175.510 -0.094 0.000 1.170 357 N CA -0.138 52.800 53.050 -0.187 0.000 0.825 357 N CB 1.795 40.224 38.487 -0.096 0.000 1.299 357 N HN 0.046 nan 8.380 nan 0.000 0.502 358 A N -1.018 121.705 122.820 -0.161 0.000 3.469 358 A HA -0.248 4.072 4.320 -0.000 0.000 0.244 358 A C 0.590 178.177 177.584 0.006 0.000 1.181 358 A CA 1.039 53.040 52.037 -0.060 0.000 1.418 358 A CB -3.039 15.961 19.000 -0.001 0.000 1.060 358 A HN 0.984 nan 8.150 nan 0.000 0.897 359 Y N -2.179 118.093 120.300 -0.047 0.000 2.347 359 Y HA 0.367 4.917 4.550 -0.000 0.000 0.294 359 Y C -0.497 175.359 175.900 -0.074 0.000 1.117 359 Y CA 0.538 58.600 58.100 -0.063 0.000 1.184 359 Y CB -1.357 37.061 38.460 -0.070 0.000 1.047 359 Y HN 0.300 nan 8.280 nan 0.000 0.546 360 P HA 0.005 nan 4.420 nan 0.000 0.227 360 P C 1.459 178.691 177.300 -0.113 0.000 1.161 360 P CA 1.069 64.020 63.100 -0.248 0.000 0.788 360 P CB 0.063 31.492 31.700 -0.453 0.000 0.822 361 L N -0.328 120.842 121.223 -0.089 0.000 2.081 361 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 361 L C -0.420 176.461 176.870 0.020 0.000 1.080 361 L CA 2.144 56.978 54.840 -0.010 0.000 0.754 361 L CB -2.234 39.827 42.059 0.004 0.000 0.893 361 L HN 0.085 nan 8.230 nan 0.000 0.433 362 P HA -0.133 nan 4.420 nan 0.000 0.215 362 P C 1.528 178.857 177.300 0.050 0.000 1.157 362 P CA 1.689 64.810 63.100 0.034 0.000 0.863 362 P CB 0.012 31.721 31.700 0.015 0.000 0.787 363 A N -0.646 122.190 122.820 0.026 0.000 1.972 363 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 363 A C 2.299 179.927 177.584 0.072 0.000 1.169 363 A CA 1.621 53.683 52.037 0.042 0.000 0.635 363 A CB -1.716 17.290 19.000 0.010 0.000 0.810 363 A HN 0.018 nan 8.150 nan 0.000 0.446 364 V N 0.207 120.153 119.914 0.054 0.000 2.307 364 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 364 V C 2.530 178.701 176.094 0.128 0.000 1.045 364 V CA 2.292 64.638 62.300 0.076 0.000 1.024 364 V CB -0.594 31.267 31.823 0.063 0.000 0.651 364 V HN 0.626 nan 8.190 nan 0.000 0.449 365 K N 0.129 120.602 120.400 0.122 0.000 1.991 365 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 365 K C 2.146 178.851 176.600 0.176 0.000 1.049 365 K CA 1.980 58.352 56.287 0.141 0.000 0.932 365 K CB -0.367 32.204 32.500 0.119 0.000 0.717 365 K HN 0.315 nan 8.250 nan 0.000 0.441 366 V N 1.298 121.320 119.914 0.179 0.000 2.278 366 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 366 V C 2.399 178.672 176.094 0.297 0.000 1.062 366 V CA 2.206 64.640 62.300 0.222 0.000 1.038 366 V CB -0.628 31.311 31.823 0.194 0.000 0.646 366 V HN 0.369 nan 8.190 nan 0.000 0.447 367 S N -0.547 115.339 115.700 0.309 0.000 2.359 367 S HA -0.231 4.239 4.470 -0.000 0.000 0.223 367 S C 1.978 176.880 174.600 0.503 0.000 1.039 367 S CA 1.908 60.392 58.200 0.472 0.000 1.042 367 S CB -0.376 62.966 63.200 0.238 0.000 0.915 367 S HN 0.405 nan 8.310 nan 0.000 0.439 368 M N 1.569 121.376 119.600 0.345 0.000 2.159 368 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 368 M C 1.529 177.978 176.300 0.248 0.000 1.063 368 M CA 1.123 56.617 55.300 0.324 0.000 1.110 368 M CB -1.591 31.165 32.600 0.258 0.000 1.374 368 M HN 0.182 nan 8.290 nan 0.000 0.411 369 D N -1.015 119.517 120.400 0.219 0.000 2.149 369 D HA -0.212 4.428 4.640 -0.000 0.000 0.198 369 D C 1.779 178.182 176.300 0.172 0.000 0.990 369 D CA 1.055 55.134 54.000 0.132 0.000 0.839 369 D CB -0.273 40.605 40.800 0.128 0.000 0.948 369 D HN 0.535 nan 8.370 nan 0.000 0.460 370 W N 1.418 122.788 121.300 0.117 0.000 2.407 370 W HA -0.000 4.660 4.660 -0.000 0.000 0.305 370 W C 2.163 178.758 176.519 0.126 0.000 1.196 370 W CA 0.713 58.127 57.345 0.115 0.000 1.311 370 W CB -0.541 28.978 29.460 0.099 0.000 1.135 370 W HN -0.131 nan 8.180 nan 0.000 0.514 371 L N 0.575 121.945 121.223 0.244 0.000 2.043 371 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 371 L C 2.724 179.656 176.870 0.103 0.000 1.075 371 L CA 1.945 56.849 54.840 0.105 0.000 0.752 371 L CB -0.931 41.339 42.059 0.351 0.000 0.891 371 L HN 0.001 nan 8.230 nan 0.000 0.432 372 R N 0.484 120.936 120.500 -0.080 0.000 2.200 372 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 372 R C 1.891 177.821 176.300 -0.616 0.000 1.127 372 R CA 1.165 56.828 56.100 -0.728 0.000 0.989 372 R CB -0.047 29.769 30.300 -0.808 0.000 0.869 372 R HN 0.392 nan 8.270 nan 0.000 0.459 373 L N -0.037 121.013 121.223 -0.288 0.000 2.585 373 L HA 0.184 4.524 4.340 -0.000 0.000 0.226 373 L C 0.386 177.211 176.870 -0.075 0.000 1.113 373 L CA -0.048 54.701 54.840 -0.151 0.000 0.876 373 L CB 0.343 42.395 42.059 -0.011 0.000 1.072 373 L HN -0.044 nan 8.230 nan 0.000 0.468 374 R N -0.019 120.361 120.500 -0.200 0.000 2.587 374 R HA 0.261 4.601 4.340 -0.000 0.000 0.283 374 R C -2.041 174.310 176.300 0.085 0.000 1.472 374 R CA -1.700 54.287 56.100 -0.189 0.000 1.578 374 R CB 0.606 30.479 30.300 -0.712 0.000 1.130 374 R HN -0.096 nan 8.270 nan 0.000 0.602 375 P HA -0.130 nan 4.420 nan 0.000 0.216 375 P C 1.065 178.561 177.300 0.326 0.000 1.153 375 P CA 1.297 64.621 63.100 0.374 0.000 0.858 375 P CB 0.261 32.114 31.700 0.255 0.000 0.789 376 R N -0.778 119.837 120.500 0.191 0.000 2.193 376 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 376 R C 1.950 178.357 176.300 0.179 0.000 1.110 376 R CA 0.784 56.981 56.100 0.161 0.000 0.988 376 R CB -0.940 29.424 30.300 0.106 0.000 0.871 376 R HN 0.141 nan 8.270 nan 0.000 0.458 377 V N 0.271 120.273 119.914 0.146 0.000 2.594 377 V HA -0.206 3.914 4.120 -0.000 0.000 0.253 377 V C 1.509 177.631 176.094 0.046 0.000 1.069 377 V CA 1.538 63.894 62.300 0.092 0.000 1.082 377 V CB -0.465 31.323 31.823 -0.058 0.000 0.680 377 V HN 0.207 nan 8.190 nan 0.000 0.469 378 F N -0.015 120.027 119.950 0.154 0.000 2.641 378 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 378 F C 2.202 178.076 175.800 0.124 0.000 1.146 378 F CA 0.983 59.076 58.000 0.156 0.000 1.464 378 F CB -0.193 38.873 39.000 0.110 0.000 1.101 378 F HN 0.238 nan 8.300 nan 0.000 0.585 379 Q N -0.876 119.069 119.800 0.242 0.000 2.281 379 Q HA 0.045 4.385 4.340 -0.000 0.000 0.215 379 Q C 0.319 176.408 176.000 0.148 0.000 0.867 379 Q CA -0.159 55.749 55.803 0.174 0.000 0.940 379 Q CB 0.471 29.294 28.738 0.141 0.000 1.111 379 Q HN 0.129 nan 8.270 nan 0.000 0.513 380 E N 0.774 121.070 120.200 0.160 0.000 2.413 380 E HA 0.015 4.365 4.350 -0.000 0.000 0.263 380 E C 0.648 177.323 176.600 0.125 0.000 1.015 380 E CA 0.219 56.718 56.400 0.164 0.000 0.916 380 E CB 1.115 30.939 29.700 0.207 0.000 0.947 380 E HN 0.247 nan 8.360 nan 0.000 0.440 381 A N 3.825 126.714 122.820 0.116 0.000 1.865 381 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 381 A C 2.106 179.731 177.584 0.068 0.000 1.191 381 A CA 1.733 53.822 52.037 0.088 0.000 0.623 381 A CB -0.610 18.440 19.000 0.083 0.000 0.826 381 A HN 0.451 nan 8.150 nan 0.000 0.444 382 V N -0.401 119.548 119.914 0.059 0.000 2.867 382 V HA -0.182 3.938 4.120 -0.000 0.000 0.260 382 V C 2.341 178.438 176.094 0.006 0.000 1.099 382 V CA 1.703 64.017 62.300 0.024 0.000 1.122 382 V CB -0.573 31.247 31.823 -0.005 0.000 0.708 382 V HN 0.374 nan 8.190 nan 0.000 0.490 383 V N -0.577 119.358 119.914 0.035 0.000 2.500 383 V HA -0.103 4.017 4.120 -0.000 0.000 0.243 383 V C 2.230 178.358 176.094 0.058 0.000 1.039 383 V CA 1.586 63.907 62.300 0.036 0.000 1.053 383 V CB -0.370 31.492 31.823 0.065 0.000 0.695 383 V HN 0.458 nan 8.190 nan 0.000 0.463 384 D N 0.005 120.458 120.400 0.087 0.000 2.178 384 D HA -0.182 4.458 4.640 -0.000 0.000 0.201 384 D C 2.176 178.502 176.300 0.044 0.000 0.980 384 D CA 1.127 55.184 54.000 0.094 0.000 0.842 384 D CB -0.022 40.834 40.800 0.093 0.000 0.948 384 D HN 0.489 nan 8.370 nan 0.000 0.472 385 E N 0.116 120.330 120.200 0.024 0.000 2.118 385 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 385 E C 0.862 177.428 176.600 -0.058 0.000 0.992 385 E CA 0.751 57.163 56.400 0.019 0.000 0.804 385 E CB 0.193 29.912 29.700 0.031 0.000 0.741 385 E HN 0.193 nan 8.360 nan 0.000 0.458 386 R N 0.474 120.843 120.500 -0.218 0.000 2.694 386 R HA 0.060 4.400 4.340 -0.000 0.000 0.334 386 R C 1.062 176.886 176.300 -0.794 0.000 1.143 386 R CA -0.076 55.607 56.100 -0.695 0.000 1.073 386 R CB 0.225 30.183 30.300 -0.571 0.000 1.366 386 R HN 0.240 nan 8.270 nan 0.000 0.577 387 Q N 0.388 119.981 119.800 -0.344 0.000 2.491 387 Q HA -0.119 4.221 4.340 -0.000 0.000 0.214 387 Q C 0.383 176.231 176.000 -0.254 0.000 0.970 387 Q CA 0.789 56.506 55.803 -0.143 0.000 0.960 387 Q CB -0.297 28.591 28.738 0.249 0.000 0.996 387 Q HN 0.595 nan 8.270 nan 0.000 0.524 388 Y N -0.875 119.263 120.300 -0.270 0.000 2.490 388 Y HA 0.205 4.755 4.550 -0.000 0.000 0.281 388 Y C 1.608 177.005 175.900 -0.839 0.000 1.174 388 Y CA -0.638 57.208 58.100 -0.424 0.000 1.295 388 Y CB -0.643 37.591 38.460 -0.376 0.000 1.062 388 Y HN 0.256 nan 8.280 nan 0.000 0.522 389 I N -3.921 116.104 120.570 -0.909 0.000 2.716 389 I HA 0.035 4.205 4.170 -0.000 0.000 0.259 389 I C 1.568 177.348 176.117 -0.561 0.000 1.172 389 I CA 0.401 61.220 61.300 -0.802 0.000 1.478 389 I CB -0.535 37.066 38.000 -0.665 0.000 1.104 389 I HN 0.108 nan 8.210 nan 0.000 0.439 390 W N 2.078 123.281 121.300 -0.162 0.000 2.338 390 W HA -0.054 4.606 4.660 -0.000 0.000 0.304 390 W C -0.375 176.111 176.519 -0.055 0.000 1.212 390 W CA 0.654 57.966 57.345 -0.055 0.000 1.264 390 W CB -1.926 27.518 29.460 -0.026 0.000 1.142 390 W HN 0.183 nan 8.180 nan 0.000 0.512 391 P HA -0.197 nan 4.420 nan 0.000 0.218 391 P C 1.215 178.587 177.300 0.119 0.000 1.148 391 P CA 1.736 64.849 63.100 0.021 0.000 0.822 391 P CB -0.270 31.368 31.700 -0.104 0.000 0.784 392 W N -1.087 120.249 121.300 0.061 0.000 2.402 392 W HA 0.042 4.702 4.660 -0.000 0.000 0.286 392 W C 1.917 178.434 176.519 -0.002 0.000 1.221 392 W CA 0.254 57.610 57.345 0.019 0.000 1.257 392 W CB -1.549 27.915 29.460 0.007 0.000 1.120 392 W HN -0.007 nan 8.180 nan 0.000 0.551 393 L N 0.211 121.584 121.223 0.250 0.000 2.109 393 L HA -0.082 4.257 4.340 -0.000 0.000 0.207 393 L C 2.004 178.898 176.870 0.040 0.000 1.086 393 L CA 1.586 56.521 54.840 0.158 0.000 0.760 393 L CB -1.032 41.205 42.059 0.297 0.000 0.910 393 L HN -0.256 nan 8.230 nan 0.000 0.437 394 I N -0.471 120.152 120.570 0.088 0.000 2.179 394 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 394 I C 2.551 178.670 176.117 0.002 0.000 1.088 394 I CA 1.604 62.930 61.300 0.044 0.000 1.357 394 I CB -0.860 37.213 38.000 0.123 0.000 1.051 394 I HN 0.203 nan 8.210 nan 0.000 0.409 395 S N 0.295 116.015 115.700 0.033 0.000 2.359 395 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 395 S C 1.937 176.448 174.600 -0.148 0.000 1.035 395 S CA 1.409 59.603 58.200 -0.011 0.000 1.018 395 S CB -0.653 62.575 63.200 0.048 0.000 0.876 395 S HN 0.359 nan 8.310 nan 0.000 0.448 396 L N 2.127 123.238 121.223 -0.187 0.000 1.989 396 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 396 L C 2.034 178.387 176.870 -0.862 0.000 1.071 396 L CA 1.700 56.290 54.840 -0.416 0.000 0.749 396 L CB -0.900 41.003 42.059 -0.261 0.000 0.890 396 L HN 0.302 nan 8.230 nan 0.000 0.431 397 L N -0.479 120.380 121.223 -0.607 0.000 2.012 397 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 397 L C 2.302 178.958 176.870 -0.356 0.000 1.073 397 L CA 1.525 56.007 54.840 -0.598 0.000 0.748 397 L CB -0.953 40.753 42.059 -0.587 0.000 0.891 397 L HN 0.386 nan 8.230 nan 0.000 0.431 398 N N -0.459 118.158 118.700 -0.138 0.000 2.364 398 N HA -0.173 4.567 4.740 -0.000 0.000 0.183 398 N C 1.980 177.384 175.510 -0.176 0.000 1.022 398 N CA 1.322 54.363 53.050 -0.015 0.000 0.883 398 N CB -0.239 38.276 38.487 0.046 0.000 0.965 398 N HN 0.177 nan 8.380 nan 0.000 0.438 399 S N -0.271 115.217 115.700 -0.353 0.000 2.469 399 S HA 0.047 4.517 4.470 -0.000 0.000 0.238 399 S C 1.163 175.593 174.600 -0.284 0.000 0.998 399 S CA 0.467 58.446 58.200 -0.368 0.000 0.957 399 S CB -0.319 62.659 63.200 -0.370 0.000 0.764 399 S HN 0.345 nan 8.310 nan 0.000 0.514 400 F N 0.363 120.205 119.950 -0.181 0.000 2.731 400 F HA 0.252 4.779 4.527 -0.000 0.000 0.304 400 F C 0.471 176.216 175.800 -0.092 0.000 1.133 400 F CA -0.374 57.550 58.000 -0.126 0.000 1.380 400 F CB -0.363 38.617 39.000 -0.034 0.000 1.079 400 F HN 0.263 nan 8.300 nan 0.000 0.550 401 H N -1.137 117.986 119.070 0.088 0.000 2.527 401 H HA -0.136 4.420 4.556 -0.000 0.000 0.321 401 H C -2.486 172.628 175.328 -0.357 0.000 1.092 401 H CA -0.951 55.049 56.048 -0.081 0.000 1.118 401 H CB -1.533 28.211 29.762 -0.030 0.000 1.536 401 H HN 0.139 nan 8.280 nan 0.000 0.407 402 P HA -0.040 nan 4.420 nan 0.000 0.264 402 P C 0.016 177.147 177.300 -0.282 0.000 1.183 402 P CA 0.900 63.961 63.100 -0.065 0.000 0.763 402 P CB 0.626 32.441 31.700 0.191 0.000 0.807 403 H N 0.886 120.031 119.070 0.125 0.000 2.894 403 H HA 0.125 4.681 4.556 -0.000 0.000 0.368 403 H C 1.103 176.467 175.328 0.060 0.000 1.181 403 H CA -0.640 55.452 56.048 0.073 0.000 1.146 403 H CB 1.302 31.105 29.762 0.068 0.000 1.839 403 H HN 0.482 nan 8.280 nan 0.000 0.557 404 E N 0.193 120.495 120.200 0.169 0.000 2.204 404 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 404 E C 1.089 177.746 176.600 0.095 0.000 0.989 404 E CA 1.176 57.634 56.400 0.097 0.000 0.824 404 E CB 0.274 30.008 29.700 0.056 0.000 0.756 404 E HN 0.446 nan 8.360 nan 0.000 0.477 405 E N 1.919 122.183 120.200 0.107 0.000 2.160 405 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 405 E C 1.433 178.087 176.600 0.091 0.000 0.991 405 E CA 1.665 58.116 56.400 0.085 0.000 0.810 405 E CB -0.211 29.536 29.700 0.079 0.000 0.742 405 E HN 0.315 nan 8.360 nan 0.000 0.466 406 D N -0.024 120.446 120.400 0.117 0.000 2.117 406 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 406 D C 1.757 178.121 176.300 0.107 0.000 0.987 406 D CA 1.069 55.137 54.000 0.113 0.000 0.829 406 D CB -0.084 40.800 40.800 0.141 0.000 0.961 406 D HN 0.332 nan 8.370 nan 0.000 0.460 407 L N 0.705 121.994 121.223 0.110 0.000 2.552 407 L HA -0.000 4.340 4.340 -0.000 0.000 0.227 407 L C 1.080 177.998 176.870 0.079 0.000 1.146 407 L CA 0.343 55.246 54.840 0.105 0.000 0.858 407 L CB -0.121 41.999 42.059 0.102 0.000 0.969 407 L HN -0.054 nan 8.230 nan 0.000 0.451 408 S N -1.127 114.614 115.700 0.069 0.000 2.256 408 S HA 0.428 4.898 4.470 -0.000 0.000 0.210 408 S C 0.066 174.695 174.600 0.048 0.000 1.329 408 S CA -0.567 57.665 58.200 0.053 0.000 1.267 408 S CB 0.244 63.472 63.200 0.046 0.000 1.086 408 S HN 0.232 nan 8.310 nan 0.000 0.468 409 S N 0.574 116.301 115.700 0.046 0.000 2.618 409 S HA 0.750 5.220 4.470 -0.000 0.000 0.277 409 S C -0.902 173.720 174.600 0.037 0.000 1.138 409 S CA -1.041 57.181 58.200 0.036 0.000 0.844 409 S CB 0.795 64.013 63.200 0.031 0.000 1.127 409 S HN 0.404 nan 8.310 nan 0.000 0.474 410 I N 2.981 123.568 120.570 0.028 0.000 2.330 410 I HA 0.224 4.394 4.170 -0.000 0.000 0.286 410 I C 1.529 177.649 176.117 0.004 0.000 1.025 410 I CA -0.591 60.721 61.300 0.020 0.000 1.197 410 I CB 1.741 39.752 38.000 0.019 0.000 1.358 410 I HN 0.975 nan 8.210 nan 0.000 0.467 411 S N 4.877 120.578 115.700 0.001 0.000 2.428 411 S HA -0.354 4.116 4.470 -0.000 0.000 0.240 411 S C 2.156 176.736 174.600 -0.033 0.000 1.036 411 S CA 1.115 59.309 58.200 -0.010 0.000 1.009 411 S CB -0.462 62.732 63.200 -0.011 0.000 0.803 411 S HN 0.856 nan 8.310 nan 0.000 0.486 412 A N 1.059 123.848 122.820 -0.053 0.000 2.144 412 A HA -0.264 4.056 4.320 -0.000 0.000 0.229 412 A C 1.318 178.797 177.584 -0.174 0.000 1.587 412 A CA 2.109 54.084 52.037 -0.104 0.000 0.727 412 A CB -2.511 16.439 19.000 -0.084 0.000 0.836 412 A HN 0.673 nan 8.150 nan 0.000 0.557 413 T N 2.319 116.809 114.554 -0.107 0.000 2.793 413 T HA 0.384 4.734 4.350 -0.000 0.000 0.289 413 T C -2.085 172.532 174.700 -0.138 0.000 0.956 413 T CA -0.345 61.698 62.100 -0.095 0.000 1.177 413 T CB 0.612 69.469 68.868 -0.018 0.000 0.897 413 T HN 0.304 nan 8.240 nan 0.000 0.533 414 P HA 0.273 nan 4.420 nan 0.000 0.272 414 P C -0.232 177.078 177.300 0.017 0.000 1.240 414 P CA -0.509 62.407 63.100 -0.306 0.000 0.791 414 P CB 0.605 31.737 31.700 -0.946 0.000 0.978 415 L N 2.680 123.940 121.223 0.063 0.000 2.387 415 L HA 0.335 4.675 4.340 -0.000 0.000 0.266 415 L C -1.392 175.631 176.870 0.255 0.000 1.059 415 L CA -2.028 52.895 54.840 0.138 0.000 0.801 415 L CB 1.060 43.177 42.059 0.097 0.000 1.223 415 L HN 0.261 nan 8.230 nan 0.000 0.456 416 P HA -0.187 nan 4.420 nan 0.000 0.215 416 P C 1.007 178.430 177.300 0.205 0.000 1.153 416 P CA 1.023 64.252 63.100 0.214 0.000 0.853 416 P CB 0.084 31.838 31.700 0.091 0.000 0.788 417 E N 0.301 120.588 120.200 0.144 0.000 2.409 417 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 417 E C 1.246 177.954 176.600 0.181 0.000 1.024 417 E CA 1.167 57.645 56.400 0.131 0.000 0.861 417 E CB -0.599 29.160 29.700 0.099 0.000 0.788 417 E HN 0.387 nan 8.360 nan 0.000 0.521 418 E N -0.141 120.177 120.200 0.196 0.000 2.127 418 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 418 E C 1.664 178.269 176.600 0.009 0.000 0.964 418 E CA 0.305 56.781 56.400 0.127 0.000 0.832 418 E CB -0.178 29.616 29.700 0.156 0.000 0.790 418 E HN 0.178 nan 8.360 nan 0.000 0.465 419 F N 1.985 122.034 119.950 0.166 0.000 2.126 419 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 419 F C 2.123 177.886 175.800 -0.062 0.000 1.096 419 F CA 1.337 59.390 58.000 0.088 0.000 1.255 419 F CB 0.095 39.174 39.000 0.132 0.000 0.997 419 F HN -0.006 nan 8.300 nan 0.000 0.479 420 E N -0.210 120.122 120.200 0.220 0.000 2.268 420 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 420 E C 1.561 178.257 176.600 0.159 0.000 0.995 420 E CA 0.679 57.185 56.400 0.176 0.000 0.836 420 E CB -0.061 29.730 29.700 0.152 0.000 0.763 420 E HN 0.447 nan 8.360 nan 0.000 0.491 421 L N 0.819 122.085 121.223 0.072 0.000 2.728 421 L HA 0.147 4.487 4.340 -0.000 0.000 0.238 421 L C 0.254 177.158 176.870 0.057 0.000 1.143 421 L CA -0.281 54.632 54.840 0.122 0.000 0.937 421 L CB 0.222 42.456 42.059 0.291 0.000 1.225 421 L HN -0.021 nan 8.230 nan 0.000 0.507 422 Q N 0.537 120.183 119.800 -0.256 0.000 2.304 422 Q HA 0.098 4.438 4.340 -0.000 0.000 0.301 422 Q C 1.309 177.349 176.000 0.067 0.000 1.063 422 Q CA 1.198 56.800 55.803 -0.336 0.000 0.947 422 Q CB 0.449 28.860 28.738 -0.544 0.000 1.201 422 Q HN 0.440 nan 8.270 nan 0.000 0.389 423 G N 2.474 111.394 108.800 0.200 0.000 2.225 423 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 423 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 423 G C -0.206 174.838 174.900 0.239 0.000 0.988 423 G CA -0.127 45.100 45.100 0.212 0.000 0.625 423 G HN 0.599 nan 8.290 nan 0.000 0.527 424 F N 3.100 123.145 119.950 0.158 0.000 2.533 424 F HA 0.491 5.018 4.527 -0.000 0.000 0.378 424 F C 1.804 177.643 175.800 0.064 0.000 1.070 424 F CA -0.297 57.751 58.000 0.080 0.000 1.172 424 F CB 0.157 39.232 39.000 0.125 0.000 1.085 424 F HN 0.091 nan 8.300 nan 0.000 0.552 425 L N 5.280 126.195 121.223 -0.514 0.000 1.976 425 L HA -0.320 4.020 4.340 -0.000 0.000 0.223 425 L C 2.480 179.084 176.870 -0.443 0.000 1.081 425 L CA 1.846 56.401 54.840 -0.476 0.000 0.784 425 L CB -1.150 40.547 42.059 -0.604 0.000 0.896 425 L HN 0.785 nan 8.230 nan 0.000 0.438 426 A N -0.844 121.428 122.820 -0.912 0.000 2.131 426 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 426 A C 2.045 179.785 177.584 0.258 0.000 1.158 426 A CA 1.398 53.235 52.037 -0.333 0.000 0.665 426 A CB -0.454 18.364 19.000 -0.302 0.000 0.795 426 A HN 0.491 nan 8.150 nan 0.000 0.460 427 L N -2.422 118.889 121.223 0.147 0.000 2.731 427 L HA 0.141 4.481 4.340 -0.000 0.000 0.240 427 L C 2.247 178.912 176.870 -0.343 0.000 1.120 427 L CA -0.147 54.731 54.840 0.063 0.000 0.913 427 L CB -0.134 42.058 42.059 0.222 0.000 1.213 427 L HN 0.256 nan 8.230 nan 0.000 0.515 428 R N 1.193 121.632 120.500 -0.100 0.000 2.136 428 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 428 R C -0.480 175.724 176.300 -0.160 0.000 1.131 428 R CA 1.975 58.041 56.100 -0.056 0.000 0.937 428 R CB -1.755 28.592 30.300 0.079 0.000 0.863 428 R HN 0.244 nan 8.270 nan 0.000 0.435 429 P HA -0.188 nan 4.420 nan 0.000 0.218 429 P C 1.233 178.440 177.300 -0.155 0.000 1.146 429 P CA 1.631 64.644 63.100 -0.145 0.000 0.813 429 P CB -0.037 31.536 31.700 -0.212 0.000 0.778 430 S N -2.023 113.499 115.700 -0.297 0.000 2.507 430 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 430 S C 1.414 175.933 174.600 -0.134 0.000 0.988 430 S CA 0.659 58.693 58.200 -0.276 0.000 0.944 430 S CB -1.257 61.731 63.200 -0.354 0.000 0.762 430 S HN 0.148 nan 8.310 nan 0.000 0.526 431 F N 1.575 121.597 119.950 0.120 0.000 2.717 431 F HA 0.271 4.797 4.527 -0.000 0.000 0.295 431 F C 2.264 178.143 175.800 0.132 0.000 1.117 431 F CA -0.319 57.786 58.000 0.175 0.000 1.361 431 F CB -0.085 39.089 39.000 0.289 0.000 1.112 431 F HN 0.170 nan 8.300 nan 0.000 0.594 432 R N 1.026 121.657 120.500 0.218 0.000 2.159 432 R HA -0.256 4.084 4.340 -0.000 0.000 0.252 432 R C 0.811 177.175 176.300 0.107 0.000 1.144 432 R CA 2.341 58.524 56.100 0.138 0.000 0.961 432 R CB -0.858 29.477 30.300 0.059 0.000 0.877 432 R HN 0.157 nan 8.270 nan 0.000 0.444 433 N N 0.509 119.253 118.700 0.074 0.000 2.276 433 N HA 0.187 4.927 4.740 -0.000 0.000 0.212 433 N C -0.464 175.041 175.510 -0.010 0.000 1.127 433 N CA 0.169 53.239 53.050 0.034 0.000 0.834 433 N CB 0.367 38.867 38.487 0.022 0.000 1.014 433 N HN 0.247 nan 8.380 nan 0.000 0.491 434 L N -0.008 121.201 121.223 -0.025 0.000 2.360 434 L HA 0.332 4.672 4.340 -0.000 0.000 0.271 434 L C 0.203 176.886 176.870 -0.311 0.000 1.057 434 L CA -0.638 54.054 54.840 -0.246 0.000 0.803 434 L CB 1.229 43.023 42.059 -0.442 0.000 1.207 434 L HN -0.149 nan 8.230 nan 0.000 0.445 435 D N 1.588 121.731 120.400 -0.428 0.000 2.461 435 D HA 0.223 4.863 4.640 -0.000 0.000 0.240 435 D C -0.394 175.676 176.300 -0.384 0.000 1.094 435 D CA -0.390 53.456 54.000 -0.256 0.000 0.868 435 D CB 0.807 41.539 40.800 -0.114 0.000 1.062 435 D HN 0.205 nan 8.370 nan 0.000 0.530 436 F N 1.818 121.706 119.950 -0.103 0.000 2.873 436 F HA 0.171 4.698 4.527 -0.000 0.000 0.289 436 F C 1.518 177.405 175.800 0.145 0.000 1.206 436 F CA -0.293 57.638 58.000 -0.115 0.000 1.401 436 F CB 0.178 39.068 39.000 -0.184 0.000 0.996 436 F HN 0.105 nan 8.300 nan 0.000 0.511 437 S N -0.459 115.370 115.700 0.215 0.000 3.464 437 S HA 0.557 5.027 4.470 -0.000 0.000 0.176 437 S C 0.066 174.780 174.600 0.189 0.000 0.824 437 S CA -0.455 57.863 58.200 0.197 0.000 1.290 437 S CB 0.977 64.252 63.200 0.126 0.000 0.644 437 S HN 0.130 nan 8.310 nan 0.000 0.659 448 E N 0.062 120.262 120.200 -0.000 0.000 2.385 448 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 448 E C 1.434 178.034 176.600 0.001 0.000 1.013 448 E CA 0.298 56.699 56.400 0.001 0.000 0.866 448 E CB 0.360 30.058 29.700 -0.003 0.000 0.832 448 E HN 0.561 nan 8.360 nan 0.000 0.500 449 G N 2.112 110.910 108.800 -0.003 0.000 3.340 449 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.240 449 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.240 449 G C 0.690 175.584 174.900 -0.009 0.000 1.327 449 G CA -0.132 44.964 45.100 -0.006 0.000 1.170 449 G HN 0.225 nan 8.290 nan 0.000 0.520 450 Q N -0.808 118.989 119.800 -0.005 0.000 2.135 450 Q HA 0.121 4.461 4.340 -0.000 0.000 0.231 450 Q C 1.119 177.115 176.000 -0.007 0.000 0.817 450 Q CA -0.230 55.569 55.803 -0.007 0.000 1.073 450 Q CB 0.024 28.763 28.738 0.001 0.000 1.176 450 Q HN 0.636 nan 8.270 nan 0.000 0.478 451 Q N 0.571 120.366 119.800 -0.007 0.000 2.317 451 Q HA 0.108 4.448 4.340 -0.000 0.000 0.220 451 Q C 1.793 177.777 176.000 -0.027 0.000 0.873 451 Q CA 0.009 55.811 55.803 -0.002 0.000 0.936 451 Q CB 0.073 28.823 28.738 0.020 0.000 1.105 451 Q HN 0.308 nan 8.270 nan 0.000 0.520 452 R N 1.389 121.864 120.500 -0.042 0.000 2.148 452 R HA 0.051 4.391 4.340 -0.000 0.000 0.223 452 R C 1.743 177.963 176.300 -0.134 0.000 1.088 452 R CA 0.970 57.022 56.100 -0.079 0.000 0.985 452 R CB 0.114 30.376 30.300 -0.064 0.000 0.880 452 R HN 0.112 nan 8.270 nan 0.000 0.451 453 R N -0.199 120.244 120.500 -0.095 0.000 2.223 453 R HA 0.223 4.563 4.340 -0.000 0.000 0.198 453 R C 2.057 178.305 176.300 -0.087 0.000 0.984 453 R CA 0.607 56.643 56.100 -0.106 0.000 1.018 453 R CB 0.037 30.307 30.300 -0.049 0.000 0.945 453 R HN 0.242 nan 8.270 nan 0.000 0.479 454 I N 0.509 121.046 120.570 -0.055 0.000 2.286 454 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 454 I C 2.651 178.742 176.117 -0.044 0.000 1.104 454 I CA 0.996 62.278 61.300 -0.030 0.000 1.397 454 I CB -0.096 37.898 38.000 -0.009 0.000 1.072 454 I HN 0.082 nan 8.210 nan 0.000 0.417 455 R N 0.740 121.200 120.500 -0.067 0.000 2.120 455 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 455 R C 2.223 178.437 176.300 -0.144 0.000 1.123 455 R CA 1.436 57.494 56.100 -0.070 0.000 0.975 455 R CB -0.021 30.238 30.300 -0.068 0.000 0.866 455 R HN 0.445 nan 8.270 nan 0.000 0.446 456 Q N -0.266 119.356 119.800 -0.295 0.000 2.119 456 Q HA -0.225 4.115 4.340 -0.000 0.000 0.201 456 Q C 2.085 178.002 176.000 -0.139 0.000 0.972 456 Q CA 1.564 57.046 55.803 -0.535 0.000 0.847 456 Q CB -0.040 28.230 28.738 -0.779 0.000 0.903 456 Q HN 0.472 nan 8.270 nan 0.000 0.433 457 Q N 0.463 120.227 119.800 -0.060 0.000 2.079 457 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 457 Q C 2.046 178.084 176.000 0.064 0.000 0.974 457 Q CA 0.786 56.610 55.803 0.035 0.000 0.840 457 Q CB 0.218 28.974 28.738 0.031 0.000 0.898 457 Q HN 0.158 nan 8.270 nan 0.000 0.430 458 R N 0.271 120.795 120.500 0.040 0.000 2.091 458 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 458 R C 2.309 178.664 176.300 0.093 0.000 1.136 458 R CA 1.108 57.246 56.100 0.063 0.000 0.959 458 R CB -0.686 29.647 30.300 0.055 0.000 0.856 458 R HN 0.386 nan 8.270 nan 0.000 0.437 459 L N 0.221 121.508 121.223 0.107 0.000 2.109 459 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 459 L C 2.310 179.262 176.870 0.137 0.000 1.086 459 L CA 0.594 55.526 54.840 0.153 0.000 0.760 459 L CB -0.372 41.843 42.059 0.260 0.000 0.910 459 L HN 0.053 nan 8.230 nan 0.000 0.437 460 I N -0.430 120.248 120.570 0.180 0.000 2.226 460 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 460 I C 2.818 179.073 176.117 0.232 0.000 1.100 460 I CA 1.409 62.839 61.300 0.217 0.000 1.374 460 I CB -1.235 36.938 38.000 0.289 0.000 1.057 460 I HN 0.221 nan 8.210 nan 0.000 0.413 461 S N 0.863 116.673 115.700 0.183 0.000 2.370 461 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 461 S C 2.134 176.854 174.600 0.201 0.000 1.033 461 S CA 1.243 59.550 58.200 0.179 0.000 1.011 461 S CB -0.229 63.048 63.200 0.128 0.000 0.852 461 S HN 0.360 nan 8.310 nan 0.000 0.457 462 I N 1.251 121.918 120.570 0.161 0.000 2.226 462 I HA -0.069 4.101 4.170 -0.000 0.000 0.245 462 I C 2.698 178.933 176.117 0.196 0.000 1.100 462 I CA 1.093 62.500 61.300 0.178 0.000 1.374 462 I CB -0.781 37.301 38.000 0.137 0.000 1.057 462 I HN 0.450 nan 8.210 nan 0.000 0.413 463 G N 0.810 109.655 108.800 0.075 0.000 2.440 463 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.218 463 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.218 463 G C 1.664 176.712 174.900 0.247 0.000 1.154 463 G CA 1.083 46.139 45.100 -0.073 0.000 0.767 463 G HN 0.221 nan 8.290 nan 0.000 0.552 464 K N -0.205 120.415 120.400 0.368 0.000 2.097 464 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 464 K C 1.992 178.700 176.600 0.181 0.000 1.050 464 K CA 1.060 57.532 56.287 0.310 0.000 0.938 464 K CB -0.573 32.080 32.500 0.255 0.000 0.718 464 K HN 0.424 nan 8.250 nan 0.000 0.442 465 W N 0.632 121.954 121.300 0.036 0.000 2.358 465 W HA -0.114 4.545 4.660 -0.000 0.000 0.303 465 W C 1.307 177.764 176.519 -0.105 0.000 1.208 465 W CA 1.205 58.535 57.345 -0.024 0.000 1.274 465 W CB 0.061 29.513 29.460 -0.013 0.000 1.138 465 W HN 0.001 nan 8.180 nan 0.000 0.515 466 I N 0.782 121.386 120.570 0.058 0.000 2.315 466 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 466 I C 2.492 178.402 176.117 -0.345 0.000 1.117 466 I CA 1.585 62.733 61.300 -0.253 0.000 1.404 466 I CB -2.112 35.762 38.000 -0.210 0.000 1.071 466 I HN 0.109 nan 8.210 nan 0.000 0.419 467 A N 0.598 123.323 122.820 -0.158 0.000 1.930 467 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 467 A C 1.874 179.332 177.584 -0.210 0.000 1.175 467 A CA 1.697 53.659 52.037 -0.126 0.000 0.627 467 A CB -0.431 18.582 19.000 0.021 0.000 0.815 467 A HN 0.368 nan 8.150 nan 0.000 0.443 468 D N -0.843 119.394 120.400 -0.272 0.000 2.333 468 D HA -0.002 4.638 4.640 -0.000 0.000 0.208 468 D C 1.159 177.181 176.300 -0.464 0.000 0.984 468 D CA 0.480 54.294 54.000 -0.309 0.000 0.873 468 D CB -0.111 40.536 40.800 -0.255 0.000 0.935 468 D HN 0.469 nan 8.370 nan 0.000 0.521 469 N N 0.009 118.280 118.700 -0.714 0.000 2.332 469 N HA 0.019 4.759 4.740 -0.000 0.000 0.190 469 N C -0.088 175.040 175.510 -0.637 0.000 1.117 469 N CA 0.222 52.779 53.050 -0.821 0.000 0.883 469 N CB 1.020 38.563 38.487 -1.574 0.000 1.089 469 N HN 0.003 nan 8.380 nan 0.000 0.480 470 Q N 0.298 119.738 119.800 -0.599 0.000 3.230 470 Q HA 0.291 4.631 4.340 -0.000 0.000 0.303 470 Q C -2.129 173.663 176.000 -0.347 0.000 0.884 470 Q CA -1.434 54.078 55.803 -0.485 0.000 0.859 470 Q CB 1.668 29.986 28.738 -0.701 0.000 1.432 470 Q HN 0.078 nan 8.270 nan 0.000 0.403 471 P HA -0.187 nan 4.420 nan 0.000 0.216 471 P C 0.910 178.128 177.300 -0.136 0.000 1.157 471 P CA 1.546 64.540 63.100 -0.177 0.000 0.880 471 P CB 0.286 31.901 31.700 -0.143 0.000 0.791 472 R N -1.736 118.691 120.500 -0.122 0.000 2.316 472 R HA 0.025 4.365 4.340 -0.000 0.000 0.202 472 R C 1.565 177.818 176.300 -0.078 0.000 1.029 472 R CA 0.405 56.459 56.100 -0.076 0.000 1.018 472 R CB -0.481 29.791 30.300 -0.047 0.000 0.888 472 R HN 0.208 nan 8.270 nan 0.000 0.471 473 L N 0.006 121.132 121.223 -0.162 0.000 2.200 473 L HA 0.261 4.601 4.340 -0.000 0.000 0.200 473 L C 0.780 177.542 176.870 -0.179 0.000 1.072 473 L CA 1.089 55.792 54.840 -0.229 0.000 0.787 473 L CB 0.126 41.861 42.059 -0.540 0.000 0.957 473 L HN 0.075 nan 8.230 nan 0.000 0.459 474 I N -2.649 117.810 120.570 -0.184 0.000 3.006 474 I HA 0.568 4.737 4.170 -0.000 0.000 0.306 474 I C -1.549 174.547 176.117 -0.034 0.000 1.250 474 I CA -0.487 60.774 61.300 -0.065 0.000 0.996 474 I CB 2.091 40.065 38.000 -0.043 0.000 1.261 474 I HN -0.048 nan 8.210 nan 0.000 0.442 475 Q N 3.686 123.506 119.800 0.033 0.000 2.484 475 Q HA 0.733 5.073 4.340 -0.000 0.000 0.285 475 Q C -1.603 174.417 176.000 0.033 0.000 1.097 475 Q CA -0.562 55.247 55.803 0.009 0.000 0.802 475 Q CB 2.277 31.006 28.738 -0.016 0.000 1.444 475 Q HN 0.810 nan 8.270 nan 0.000 0.429 476 C N 1.460 120.722 119.300 -0.063 0.000 2.620 476 C HA 0.528 4.988 4.460 -0.000 0.000 0.356 476 C C -1.462 173.409 174.990 -0.199 0.000 1.082 476 C CA -0.309 58.567 59.018 -0.236 0.000 1.293 476 C CB -0.005 27.522 27.740 -0.354 0.000 1.836 476 C HN 0.878 nan 8.230 nan 0.000 0.453 477 E N 3.202 123.292 120.200 -0.183 0.000 2.179 477 E HA 0.343 4.693 4.350 -0.000 0.000 0.275 477 E C -0.784 175.742 176.600 -0.125 0.000 0.945 477 E CA -0.562 55.766 56.400 -0.121 0.000 0.792 477 E CB 1.573 31.228 29.700 -0.076 0.000 1.125 477 E HN 0.611 nan 8.360 nan 0.000 0.397 478 N N 2.067 120.715 118.700 -0.086 0.000 2.439 478 N HA 0.029 4.769 4.740 -0.000 0.000 0.249 478 N C -0.079 175.412 175.510 -0.032 0.000 1.003 478 N CA -0.109 52.905 53.050 -0.059 0.000 0.942 478 N CB 1.176 39.637 38.487 -0.043 0.000 1.115 478 N HN 0.583 nan 8.380 nan 0.000 0.505 479 E N 2.354 122.543 120.200 -0.018 0.000 3.541 479 E HA 0.177 4.527 4.350 -0.000 0.000 0.521 479 E C -0.451 176.150 176.600 0.001 0.000 0.390 479 E CA 0.507 56.904 56.400 -0.004 0.000 3.173 479 E CB 0.099 29.805 29.700 0.010 0.000 2.100 479 E HN 0.287 nan 8.360 nan 0.000 0.407 480 V N 1.019 120.939 119.914 0.009 0.000 2.192 480 V HA 0.398 4.518 4.120 -0.000 0.000 0.264 480 V C 0.841 176.940 176.094 0.009 0.000 1.155 480 V CA 0.476 62.778 62.300 0.002 0.000 1.005 480 V CB -0.196 31.624 31.823 -0.005 0.000 1.201 480 V HN 0.819 nan 8.190 nan 0.000 0.468 481 G N 3.953 112.764 108.800 0.019 0.000 2.550 481 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.233 481 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.233 481 G C 0.520 175.495 174.900 0.125 0.000 1.170 481 G CA 0.110 45.235 45.100 0.041 0.000 0.693 481 G HN 0.568 nan 8.290 nan 0.000 0.512 482 K N 1.782 122.272 120.400 0.149 0.000 2.307 482 K HA 0.428 4.748 4.320 -0.000 0.000 0.285 482 K C 0.669 177.323 176.600 0.089 0.000 1.073 482 K CA -0.165 56.273 56.287 0.251 0.000 0.996 482 K CB 0.309 32.926 32.500 0.194 0.000 0.994 482 K HN 0.388 nan 8.250 nan 0.000 0.452 483 L N 3.320 124.566 121.223 0.039 0.000 2.436 483 L HA 0.284 4.624 4.340 -0.000 0.000 0.265 483 L C -0.229 176.556 176.870 -0.143 0.000 1.168 483 L CA -0.646 54.124 54.840 -0.118 0.000 0.815 483 L CB 0.333 42.272 42.059 -0.201 0.000 1.109 483 L HN 0.440 nan 8.230 nan 0.000 0.462 484 L N 2.143 123.215 121.223 -0.251 0.000 2.476 484 L HA 0.493 4.833 4.340 -0.000 0.000 0.269 484 L C -1.204 175.514 176.870 -0.254 0.000 0.965 484 L CA 0.035 54.786 54.840 -0.148 0.000 0.845 484 L CB 1.415 43.443 42.059 -0.052 0.000 1.259 484 L HN 0.179 nan 8.230 nan 0.000 0.403 485 F N 5.404 125.359 119.950 0.009 0.000 2.384 485 F HA 0.655 5.182 4.527 -0.000 0.000 0.338 485 F C 0.405 176.211 175.800 0.011 0.000 1.103 485 F CA 0.029 58.034 58.000 0.009 0.000 1.157 485 F CB 1.204 40.211 39.000 0.012 0.000 1.167 485 F HN 0.319 nan 8.300 nan 0.000 0.529 486 I N 0.812 121.497 120.570 0.192 0.000 3.095 486 I HA 0.522 4.692 4.170 -0.000 0.000 0.310 486 I C -0.599 175.575 176.117 0.095 0.000 1.196 486 I CA -0.626 60.740 61.300 0.110 0.000 0.985 486 I CB 2.875 40.904 38.000 0.048 0.000 1.250 486 I HN 0.474 nan 8.210 nan 0.000 0.446 487 T N 0.848 115.445 114.554 0.071 0.000 2.942 487 T HA 0.257 4.607 4.350 -0.000 0.000 0.327 487 T C -0.276 174.451 174.700 0.045 0.000 1.360 487 T CA -0.409 61.726 62.100 0.058 0.000 1.055 487 T CB 1.618 70.539 68.868 0.088 0.000 1.261 487 T HN 0.739 nan 8.240 nan 0.000 0.485 488 E N 2.262 122.482 120.200 0.033 0.000 2.474 488 E HA 0.227 4.577 4.350 -0.000 0.000 0.194 488 E C 0.247 176.867 176.600 0.034 0.000 1.041 488 E CA 0.056 56.472 56.400 0.027 0.000 0.874 488 E CB 0.227 29.937 29.700 0.017 0.000 0.914 488 E HN 0.579 nan 8.360 nan 0.000 0.498 489 I N 4.399 124.998 120.570 0.047 0.000 2.581 489 I HA 0.026 4.196 4.170 -0.000 0.000 0.285 489 I C -1.899 174.238 176.117 0.034 0.000 1.129 489 I CA -1.626 59.705 61.300 0.052 0.000 1.397 489 I CB 0.178 38.230 38.000 0.088 0.000 1.399 489 I HN -0.150 nan 8.210 nan 0.000 0.537 490 P HA 0.022 nan 4.420 nan 0.000 0.271 490 P C -0.458 176.835 177.300 -0.012 0.000 1.218 490 P CA -0.293 62.815 63.100 0.013 0.000 0.780 490 P CB 0.698 32.406 31.700 0.014 0.000 0.901 491 E N 1.419 121.614 120.200 -0.008 0.000 2.344 491 E HA 0.104 4.454 4.350 -0.000 0.000 0.270 491 E C -0.477 176.109 176.600 -0.024 0.000 1.021 491 E CA -0.700 55.681 56.400 -0.032 0.000 0.887 491 E CB 0.352 30.079 29.700 0.045 0.000 0.997 491 E HN 0.271 nan 8.360 nan 0.000 0.429 492 L N 6.569 127.743 121.223 -0.082 0.000 2.361 492 L HA 0.272 4.612 4.340 -0.000 0.000 0.278 492 L C -0.854 176.053 176.870 0.062 0.000 1.113 492 L CA 0.470 55.272 54.840 -0.064 0.000 0.849 492 L CB 0.362 42.277 42.059 -0.239 0.000 1.155 492 L HN 0.499 nan 8.230 nan 0.000 0.452 493 I N 6.944 127.532 120.570 0.029 0.000 2.464 493 I HA 0.228 4.398 4.170 -0.000 0.000 0.277 493 I C -0.117 176.003 176.117 0.006 0.000 1.040 493 I CA -0.438 60.888 61.300 0.044 0.000 1.153 493 I CB 0.884 38.908 38.000 0.040 0.000 1.274 493 I HN 0.594 nan 8.210 nan 0.000 0.469 494 L N 4.372 125.593 121.223 -0.002 0.000 2.470 494 L HA 0.259 4.599 4.340 -0.000 0.000 0.243 494 L C 0.981 177.836 176.870 -0.026 0.000 1.227 494 L CA -0.354 54.470 54.840 -0.027 0.000 0.824 494 L CB 0.334 42.368 42.059 -0.042 0.000 1.175 494 L HN 0.519 nan 8.230 nan 0.000 0.503 495 E N -0.260 119.920 120.200 -0.032 0.000 2.376 495 E HA 0.094 4.444 4.350 -0.000 0.000 0.254 495 E C -1.136 175.441 176.600 -0.039 0.000 1.213 495 E CA -0.574 55.807 56.400 -0.030 0.000 0.945 495 E CB 0.714 30.397 29.700 -0.029 0.000 1.057 495 E HN 0.428 nan 8.360 nan 0.000 0.479 496 D N -0.010 120.369 120.400 -0.036 0.000 2.627 496 D HA 0.481 5.121 4.640 -0.000 0.000 0.259 496 D C -1.738 174.537 176.300 -0.042 0.000 1.164 496 D CA -0.684 53.290 54.000 -0.042 0.000 1.087 496 D CB -0.039 40.740 40.800 -0.035 0.000 1.217 496 D HN 0.319 nan 8.370 nan 0.000 0.630 497 P HA 0.000 nan 4.420 nan 0.000 0.216 497 P CA 0.000 63.077 63.100 -0.039 0.000 0.800 497 P CB 0.000 31.671 31.700 -0.048 0.000 0.726