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 1aos_1_B DATA FIRST_RESID 20 DATA SEQUENCE IMEKFNASIA YDRHLWEVDV QGSKAYSRGL EKAGLLTKAE MDQILHGLDK DATA SEQUENCE VXXXXXXXXX KLNSNDEDIH TANERRLKEL IGATAGKLHT GRSRNDQVVT DATA SEQUENCE DLRLWMRQTC STLSGLLWEL IRTMVDRAEA ERDVLFPGYT HLQRAQPIRW DATA SEQUENCE SHWILSHAVA LTRDSERLLE VRKRINVLPL GSGAIAGNPL GVDRELLRAE DATA SEQUENCE LNFGAITLNS MDATSERDFV AEFLFWRSLC MTHLSRMAED LILYCTKEFS DATA SEQUENCE FVQLSDAYST GSSLMPQKKN PDSLELIRSK AGRVFGRCAG LLMTLKGLPS DATA SEQUENCE TYNKDLQEDK EAVFEVSDTM SAVLQVATGV ISTLQIHQEN MGQALSPDML DATA SEQUENCE ATDLAYYLVR KGMPFRQAHE ASGKAVFMAE TKGVALNQLS LQELQTISPL DATA SEQUENCE FSGDVICVWD YRHSVEQYGA LGGTARSSVD WQIRQVRALL QAQ 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 20 I HA 0.000 nan 4.170 nan 0.000 0.288 20 I C 0.000 176.119 176.117 0.003 0.000 1.063 20 I CA 0.000 61.253 61.300 -0.078 0.000 1.566 20 I CB 0.000 37.932 38.000 -0.113 0.000 1.214 21 M N 1.690 121.377 119.600 0.144 0.000 2.073 21 M HA -0.243 4.237 4.480 0.000 0.000 0.258 21 M C 2.532 178.960 176.300 0.213 0.000 1.070 21 M CA 3.038 58.493 55.300 0.258 0.000 1.103 21 M CB -0.667 32.021 32.600 0.147 0.000 1.321 21 M HN 0.476 nan 8.290 nan 0.000 0.405 22 E N -0.026 120.239 120.200 0.108 0.000 2.107 22 E HA -0.180 4.170 4.350 0.000 0.000 0.191 22 E C 1.812 178.458 176.600 0.076 0.000 0.982 22 E CA 1.416 57.865 56.400 0.081 0.000 0.809 22 E CB -0.533 29.192 29.700 0.042 0.000 0.756 22 E HN 0.318 nan 8.360 nan 0.000 0.459 23 K N -1.159 119.263 120.400 0.036 0.000 2.591 23 K HA 0.224 4.544 4.320 0.000 0.000 0.197 23 K C 0.213 176.810 176.600 -0.004 0.000 1.026 23 K CA -0.004 56.275 56.287 -0.012 0.000 1.127 23 K CB -0.505 31.953 32.500 -0.071 0.000 0.871 23 K HN 0.379 nan 8.250 nan 0.000 0.507 24 F N -1.070 118.897 119.950 0.028 0.000 2.640 24 F HA 0.207 4.734 4.527 -0.000 0.000 0.285 24 F C 1.466 177.298 175.800 0.054 0.000 1.031 24 F CA -0.184 57.841 58.000 0.042 0.000 1.240 24 F CB 0.079 39.095 39.000 0.026 0.000 1.011 24 F HN 0.035 nan 8.300 nan 0.000 0.656 25 N N 1.105 119.958 118.700 0.254 0.000 2.244 25 N HA 0.016 4.756 4.740 0.000 0.000 0.183 25 N C 0.616 176.198 175.510 0.119 0.000 1.016 25 N CA 0.753 53.891 53.050 0.147 0.000 0.866 25 N CB -0.367 38.176 38.487 0.093 0.000 0.980 25 N HN 0.090 nan 8.380 nan 0.000 0.430 26 A N 0.334 123.212 122.820 0.096 0.000 2.561 26 A HA 0.100 4.420 4.320 0.000 0.000 0.251 26 A C 1.001 178.561 177.584 -0.040 0.000 1.062 26 A CA 0.333 52.381 52.037 0.019 0.000 0.761 26 A CB 0.092 19.089 19.000 -0.004 0.000 0.986 26 A HN 0.281 nan 8.150 nan 0.000 0.510 27 S N 2.209 117.812 115.700 -0.161 0.000 2.505 27 S HA 0.055 4.525 4.470 0.000 0.000 0.216 27 S C 1.527 175.674 174.600 -0.755 0.000 1.018 27 S CA 0.432 58.342 58.200 -0.483 0.000 0.911 27 S CB -0.236 62.859 63.200 -0.175 0.000 0.818 27 S HN 0.718 nan 8.310 nan 0.000 0.497 28 I N 2.629 122.962 120.570 -0.395 0.000 2.264 28 I HA -0.247 3.923 4.170 0.000 0.000 0.248 28 I C 2.794 178.693 176.117 -0.362 0.000 1.111 28 I CA 1.226 62.333 61.300 -0.323 0.000 1.382 28 I CB -0.647 37.245 38.000 -0.180 0.000 1.060 28 I HN 0.288 nan 8.210 nan 0.000 0.418 29 A N 1.422 124.041 122.820 -0.335 0.000 1.873 29 A HA -0.260 4.060 4.320 0.000 0.000 0.218 29 A C 2.247 179.710 177.584 -0.201 0.000 1.193 29 A CA 2.480 54.396 52.037 -0.201 0.000 0.629 29 A CB -1.168 17.791 19.000 -0.068 0.000 0.826 29 A HN 0.658 nan 8.150 nan 0.000 0.447 30 Y N -0.213 120.001 120.300 -0.144 0.000 2.347 30 Y HA 0.163 4.713 4.550 0.000 0.000 0.294 30 Y C 1.290 176.897 175.900 -0.489 0.000 1.117 30 Y CA 0.243 58.201 58.100 -0.237 0.000 1.184 30 Y CB -0.670 37.744 38.460 -0.077 0.000 1.047 30 Y HN 0.376 nan 8.280 nan 0.000 0.546 31 D N 1.390 121.534 120.400 -0.427 0.000 2.504 31 D HA -0.035 4.605 4.640 0.000 0.000 0.243 31 D C 1.601 177.678 176.300 -0.372 0.000 1.203 31 D CA -0.122 53.712 54.000 -0.277 0.000 0.847 31 D CB -0.285 40.511 40.800 -0.007 0.000 0.973 31 D HN 0.419 nan 8.370 nan 0.000 0.490 32 R N -0.004 120.158 120.500 -0.564 0.000 2.096 32 R HA -0.156 4.184 4.340 0.000 0.000 0.235 32 R C 1.443 177.648 176.300 -0.158 0.000 1.127 32 R CA 1.427 57.314 56.100 -0.355 0.000 0.968 32 R CB -0.396 29.681 30.300 -0.371 0.000 0.861 32 R HN 0.388 nan 8.270 nan 0.000 0.440 33 H N -0.434 118.554 119.070 -0.137 0.000 2.460 33 H HA -0.111 4.445 4.556 -0.000 0.000 0.297 33 H C 0.886 175.943 175.328 -0.452 0.000 1.103 33 H CA 0.711 56.568 56.048 -0.319 0.000 1.292 33 H CB 0.087 29.349 29.762 -0.833 0.000 1.376 33 H HN 0.114 nan 8.280 nan 0.000 0.531 34 L N 1.380 122.488 121.223 -0.192 0.000 2.711 34 L HA -0.066 4.274 4.340 0.000 0.000 0.242 34 L C 1.458 178.262 176.870 -0.110 0.000 1.153 34 L CA 0.324 55.058 54.840 -0.176 0.000 0.898 34 L CB -1.809 40.187 42.059 -0.105 0.000 1.044 34 L HN 0.587 nan 8.230 nan 0.000 0.437 35 W N 0.591 121.844 121.300 -0.079 0.000 2.329 35 W HA -0.164 4.496 4.660 -0.000 0.000 0.324 35 W C 1.624 178.126 176.519 -0.028 0.000 1.222 35 W CA 1.063 58.370 57.345 -0.064 0.000 1.270 35 W CB -0.802 28.628 29.460 -0.050 0.000 1.167 35 W HN 0.115 nan 8.180 nan 0.000 0.467 36 E N 0.653 120.374 120.200 -0.798 0.000 2.515 36 E HA -0.085 4.265 4.350 0.000 0.000 0.201 36 E C 1.548 178.024 176.600 -0.206 0.000 1.071 36 E CA 0.791 56.936 56.400 -0.425 0.000 0.880 36 E CB 0.159 29.474 29.700 -0.641 0.000 0.828 36 E HN 0.395 nan 8.360 nan 0.000 0.540 37 V N -0.948 118.858 119.914 -0.179 0.000 3.455 37 V HA -0.040 4.080 4.120 0.000 0.000 0.250 37 V C 1.591 177.637 176.094 -0.081 0.000 1.230 37 V CA 0.643 62.888 62.300 -0.091 0.000 1.105 37 V CB 0.276 32.071 31.823 -0.046 0.000 0.850 37 V HN 0.070 nan 8.190 nan 0.000 0.461 38 D N 0.938 121.278 120.400 -0.100 0.000 2.162 38 D HA -0.124 4.516 4.640 0.000 0.000 0.203 38 D C 2.072 178.332 176.300 -0.067 0.000 0.967 38 D CA 1.571 55.494 54.000 -0.129 0.000 0.840 38 D CB 0.289 40.978 40.800 -0.185 0.000 0.972 38 D HN 0.343 nan 8.370 nan 0.000 0.482 39 V N -0.274 119.626 119.914 -0.023 0.000 2.379 39 V HA -0.197 3.923 4.120 0.000 0.000 0.245 39 V C 2.268 178.358 176.094 -0.007 0.000 1.044 39 V CA 1.666 63.964 62.300 -0.004 0.000 1.036 39 V CB -1.292 30.550 31.823 0.033 0.000 0.664 39 V HN 0.322 nan 8.190 nan 0.000 0.453 40 Q N 1.946 121.736 119.800 -0.016 0.000 2.119 40 Q HA 0.004 4.344 4.340 0.000 0.000 0.201 40 Q C 2.187 178.175 176.000 -0.020 0.000 0.972 40 Q CA 2.038 57.828 55.803 -0.022 0.000 0.847 40 Q CB -0.866 27.847 28.738 -0.041 0.000 0.903 40 Q HN 0.547 nan 8.270 nan 0.000 0.433 41 G N 0.212 108.999 108.800 -0.022 0.000 2.484 41 G HA2 -0.135 3.825 3.960 0.000 0.000 0.218 41 G HA3 -0.135 3.825 3.960 0.000 0.000 0.218 41 G C 1.327 176.245 174.900 0.031 0.000 1.130 41 G CA 0.647 45.745 45.100 -0.003 0.000 0.784 41 G HN 0.358 nan 8.290 nan 0.000 0.543 42 S N 0.299 116.014 115.700 0.024 0.000 2.356 42 S HA 0.014 4.484 4.470 0.000 0.000 0.219 42 S C 2.178 176.827 174.600 0.081 0.000 1.036 42 S CA 0.830 59.066 58.200 0.060 0.000 0.965 42 S CB -0.128 63.083 63.200 0.018 0.000 0.864 42 S HN 0.343 nan 8.310 nan 0.000 0.471 43 K N 1.454 121.879 120.400 0.042 0.000 2.228 43 K HA -0.155 4.165 4.320 0.000 0.000 0.205 43 K C 2.073 178.698 176.600 0.041 0.000 1.045 43 K CA 1.321 57.629 56.287 0.035 0.000 0.931 43 K CB -0.244 32.268 32.500 0.020 0.000 0.727 43 K HN 0.351 nan 8.250 nan 0.000 0.458 44 A N 0.082 122.934 122.820 0.054 0.000 1.861 44 A HA -0.122 4.198 4.320 0.000 0.000 0.212 44 A C 1.928 179.568 177.584 0.094 0.000 1.199 44 A CA 0.783 52.853 52.037 0.055 0.000 0.613 44 A CB -0.671 18.358 19.000 0.049 0.000 0.846 44 A HN 0.367 nan 8.150 nan 0.000 0.446 45 Y N 1.235 121.538 120.300 0.004 0.000 2.483 45 Y HA -0.109 4.441 4.550 0.000 0.000 0.291 45 Y C 2.551 178.460 175.900 0.014 0.000 1.143 45 Y CA 1.132 59.239 58.100 0.013 0.000 1.289 45 Y CB -0.101 38.371 38.460 0.020 0.000 0.983 45 Y HN 0.300 nan 8.280 nan 0.000 0.556 46 S N -0.400 115.340 115.700 0.067 0.000 2.357 46 S HA -0.121 4.349 4.470 0.000 0.000 0.221 46 S C 1.917 176.485 174.600 -0.053 0.000 1.031 46 S CA 1.027 59.229 58.200 0.004 0.000 0.982 46 S CB -0.153 63.066 63.200 0.032 0.000 0.853 46 S HN 0.313 nan 8.310 nan 0.000 0.458 47 R N 0.971 121.453 120.500 -0.031 0.000 2.237 47 R HA 0.032 4.372 4.340 0.000 0.000 0.219 47 R C 2.084 178.338 176.300 -0.075 0.000 1.080 47 R CA 0.992 57.069 56.100 -0.039 0.000 0.995 47 R CB -0.691 29.600 30.300 -0.016 0.000 0.875 47 R HN 0.433 nan 8.270 nan 0.000 0.462 48 G N -0.295 108.426 108.800 -0.132 0.000 2.404 48 G HA2 -0.164 3.796 3.960 0.000 0.000 0.213 48 G HA3 -0.164 3.796 3.960 0.000 0.000 0.213 48 G C 1.274 176.036 174.900 -0.229 0.000 1.189 48 G CA 0.228 45.217 45.100 -0.185 0.000 0.796 48 G HN 0.220 nan 8.290 nan 0.000 0.532 49 L N 1.114 122.136 121.223 -0.335 0.000 2.079 49 L HA -0.098 4.242 4.340 0.000 0.000 0.210 49 L C 2.931 179.724 176.870 -0.128 0.000 1.081 49 L CA 1.822 56.510 54.840 -0.253 0.000 0.752 49 L CB -0.379 41.526 42.059 -0.257 0.000 0.896 49 L HN 0.501 nan 8.230 nan 0.000 0.433 50 E N 0.461 120.601 120.200 -0.100 0.000 2.106 50 E HA -0.250 4.100 4.350 0.000 0.000 0.192 50 E C 2.124 178.692 176.600 -0.052 0.000 0.984 50 E CA 1.127 57.492 56.400 -0.058 0.000 0.806 50 E CB -0.279 29.396 29.700 -0.041 0.000 0.750 50 E HN 0.217 nan 8.360 nan 0.000 0.458 51 K N 0.109 120.473 120.400 -0.061 0.000 2.280 51 K HA -0.009 4.311 4.320 0.000 0.000 0.202 51 K C 1.797 178.371 176.600 -0.044 0.000 1.047 51 K CA 1.066 57.325 56.287 -0.046 0.000 0.942 51 K CB -0.144 32.329 32.500 -0.045 0.000 0.739 51 K HN 0.290 nan 8.250 nan 0.000 0.457 52 A N -0.153 122.632 122.820 -0.058 0.000 2.132 52 A HA 0.172 4.492 4.320 0.000 0.000 0.213 52 A C 1.244 178.805 177.584 -0.037 0.000 1.154 52 A CA 0.977 52.985 52.037 -0.048 0.000 0.753 52 A CB -0.008 18.954 19.000 -0.063 0.000 0.826 52 A HN 0.438 nan 8.150 nan 0.000 0.469 53 G N -1.236 107.540 108.800 -0.039 0.000 2.130 53 G HA2 -0.168 3.792 3.960 0.000 0.000 0.216 53 G HA3 -0.168 3.792 3.960 0.000 0.000 0.216 53 G C 0.535 175.419 174.900 -0.027 0.000 0.999 53 G CA 0.269 45.353 45.100 -0.028 0.000 0.686 53 G HN 0.262 nan 8.290 nan 0.000 0.515 54 L N -0.892 120.309 121.223 -0.038 0.000 2.375 54 L HA 0.440 4.780 4.340 0.000 0.000 0.215 54 L C 1.341 178.199 176.870 -0.021 0.000 1.108 54 L CA 1.276 56.098 54.840 -0.030 0.000 0.830 54 L CB -0.465 41.567 42.059 -0.044 0.000 0.959 54 L HN 0.366 nan 8.230 nan 0.000 0.457 55 L N -0.891 120.316 121.223 -0.026 0.000 2.388 55 L HA 0.339 4.679 4.340 0.000 0.000 0.264 55 L C 0.264 177.126 176.870 -0.012 0.000 0.998 55 L CA -0.503 54.329 54.840 -0.013 0.000 0.817 55 L CB 2.221 44.271 42.059 -0.014 0.000 1.338 55 L HN -0.045 nan 8.230 nan 0.000 0.414 56 T N -2.448 112.103 114.554 -0.004 0.000 2.909 56 T HA 0.280 4.630 4.350 0.000 0.000 0.286 56 T C 0.971 175.670 174.700 -0.003 0.000 1.002 56 T CA -0.781 61.317 62.100 -0.004 0.000 1.074 56 T CB 1.470 70.337 68.868 -0.001 0.000 0.984 56 T HN 0.475 nan 8.240 nan 0.000 0.495 57 K N 1.871 122.268 120.400 -0.005 0.000 2.034 57 K HA -0.166 4.154 4.320 0.000 0.000 0.214 57 K C 2.547 179.148 176.600 0.001 0.000 1.051 57 K CA 1.801 58.085 56.287 -0.004 0.000 0.931 57 K CB -1.203 31.294 32.500 -0.005 0.000 0.715 57 K HN 0.855 nan 8.250 nan 0.000 0.446 58 A N 1.974 124.794 122.820 0.001 0.000 1.948 58 A HA -0.231 4.089 4.320 0.000 0.000 0.220 58 A C 1.976 179.566 177.584 0.010 0.000 1.177 58 A CA 2.177 54.216 52.037 0.004 0.000 0.636 58 A CB -0.403 18.599 19.000 0.002 0.000 0.815 58 A HN 0.637 nan 8.150 nan 0.000 0.449 59 E N -1.863 118.344 120.200 0.011 0.000 2.364 59 E HA 0.049 4.399 4.350 0.000 0.000 0.196 59 E C 1.883 178.496 176.600 0.021 0.000 0.990 59 E CA 0.423 56.834 56.400 0.018 0.000 0.886 59 E CB -0.276 29.435 29.700 0.017 0.000 0.866 59 E HN 0.462 nan 8.360 nan 0.000 0.493 60 M N 1.811 121.420 119.600 0.014 0.000 2.200 60 M HA -0.083 4.397 4.480 0.000 0.000 0.265 60 M C 0.593 176.907 176.300 0.023 0.000 1.066 60 M CA 1.516 56.824 55.300 0.013 0.000 1.127 60 M CB -0.249 32.352 32.600 0.001 0.000 1.379 60 M HN 0.030 nan 8.290 nan 0.000 0.420 61 D N -0.146 120.267 120.400 0.022 0.000 2.363 61 D HA -0.089 4.551 4.640 0.000 0.000 0.220 61 D C 1.912 178.244 176.300 0.052 0.000 0.994 61 D CA 0.442 54.460 54.000 0.030 0.000 0.890 61 D CB 0.018 40.825 40.800 0.013 0.000 0.906 61 D HN 0.446 nan 8.370 nan 0.000 0.530 62 Q N 0.462 120.291 119.800 0.048 0.000 2.036 62 Q HA 0.018 4.358 4.340 0.000 0.000 0.195 62 Q C 2.463 178.506 176.000 0.070 0.000 0.971 62 Q CA 0.531 56.372 55.803 0.063 0.000 0.826 62 Q CB 0.159 28.924 28.738 0.044 0.000 0.896 62 Q HN 0.435 nan 8.270 nan 0.000 0.449 63 I N -1.531 119.068 120.570 0.048 0.000 3.111 63 I HA -0.101 4.069 4.170 0.000 0.000 0.272 63 I C 2.096 178.233 176.117 0.035 0.000 1.268 63 I CA 0.391 61.712 61.300 0.035 0.000 1.467 63 I CB -0.310 37.708 38.000 0.030 0.000 1.087 63 I HN 0.011 nan 8.210 nan 0.000 0.467 64 L N 0.995 122.249 121.223 0.053 0.000 2.044 64 L HA -0.174 4.166 4.340 0.000 0.000 0.205 64 L C 2.855 179.775 176.870 0.083 0.000 1.075 64 L CA 1.723 56.597 54.840 0.056 0.000 0.747 64 L CB -0.793 41.299 42.059 0.054 0.000 0.903 64 L HN 0.352 nan 8.230 nan 0.000 0.435 65 H N -1.208 117.866 119.070 0.006 0.000 2.389 65 H HA -0.110 4.446 4.556 0.000 0.000 0.299 65 H C 1.914 177.246 175.328 0.006 0.000 1.081 65 H CA 1.143 57.195 56.048 0.006 0.000 1.345 65 H CB 0.076 29.841 29.762 0.005 0.000 1.393 65 H HN 0.452 nan 8.280 nan 0.000 0.520 66 G N 1.350 110.078 108.800 -0.120 0.000 2.469 66 G HA2 -0.215 3.745 3.960 0.000 0.000 0.219 66 G HA3 -0.215 3.745 3.960 0.000 0.000 0.219 66 G C 1.454 176.259 174.900 -0.157 0.000 1.150 66 G CA 0.597 45.583 45.100 -0.190 0.000 0.763 66 G HN 0.367 nan 8.290 nan 0.000 0.561 67 L N 1.281 122.457 121.223 -0.078 0.000 2.855 67 L HA 0.243 4.583 4.340 0.000 0.000 0.245 67 L C 0.496 177.344 176.870 -0.035 0.000 1.276 67 L CA 0.401 55.214 54.840 -0.045 0.000 1.118 67 L CB -0.025 42.024 42.059 -0.016 0.000 1.444 67 L HN 0.483 nan 8.230 nan 0.000 0.440 68 D N -4.410 115.937 120.400 -0.088 0.000 2.672 68 D HA -0.034 4.606 4.640 0.000 0.000 0.321 68 D C 1.033 177.251 176.300 -0.136 0.000 1.496 68 D CA -0.209 53.761 54.000 -0.050 0.000 0.901 68 D CB 0.112 40.927 40.800 0.026 0.000 1.441 68 D HN -0.159 nan 8.370 nan 0.000 0.423 69 K N 0.188 120.426 120.400 -0.269 0.000 2.391 69 K HA 0.363 4.683 4.320 0.000 0.000 0.197 69 K C -0.214 176.297 176.600 -0.148 0.000 1.087 69 K CA 0.404 56.508 56.287 -0.305 0.000 1.012 69 K CB 0.950 33.142 32.500 -0.513 0.000 0.925 69 K HN 0.114 nan 8.250 nan 0.000 0.547 81 L N 0.830 122.016 121.223 -0.062 0.000 2.216 81 L HA 0.626 4.966 4.340 0.000 0.000 0.260 81 L C -0.920 175.924 176.870 -0.044 0.000 1.036 81 L CA -0.550 54.256 54.840 -0.057 0.000 0.914 81 L CB 1.713 43.734 42.059 -0.064 0.000 1.501 81 L HN 0.819 nan 8.230 nan 0.000 0.485 82 N N -1.793 116.883 118.700 -0.040 0.000 2.431 82 N HA 0.118 4.858 4.740 0.000 0.000 0.275 82 N C 0.274 175.766 175.510 -0.030 0.000 1.091 82 N CA 0.238 53.270 53.050 -0.031 0.000 0.922 82 N CB 1.505 39.977 38.487 -0.024 0.000 1.666 82 N HN 0.477 nan 8.380 nan 0.000 0.484 83 S N 1.847 117.532 115.700 -0.026 0.000 2.399 83 S HA -0.156 4.314 4.470 0.000 0.000 0.231 83 S C 1.197 175.786 174.600 -0.019 0.000 1.022 83 S CA 1.112 59.297 58.200 -0.025 0.000 0.983 83 S CB -0.538 62.649 63.200 -0.022 0.000 0.803 83 S HN 0.774 nan 8.310 nan 0.000 0.480 84 N N 1.846 120.538 118.700 -0.014 0.000 2.550 84 N HA -0.052 4.688 4.740 0.000 0.000 0.186 84 N C -0.688 174.818 175.510 -0.006 0.000 1.110 84 N CA 0.527 53.573 53.050 -0.008 0.000 0.912 84 N CB -0.385 38.099 38.487 -0.004 0.000 0.968 84 N HN 0.417 nan 8.380 nan 0.000 0.448 85 D N 1.164 121.557 120.400 -0.012 0.000 2.264 85 D HA 0.062 4.702 4.640 0.000 0.000 0.249 85 D C 0.597 176.888 176.300 -0.016 0.000 1.070 85 D CA -0.291 53.703 54.000 -0.010 0.000 0.912 85 D CB 2.462 43.254 40.800 -0.013 0.000 1.193 85 D HN 0.171 nan 8.370 nan 0.000 0.427 86 E N 0.418 120.613 120.200 -0.008 0.000 2.132 86 E HA -0.056 4.294 4.350 0.000 0.000 0.193 86 E C -0.222 176.358 176.600 -0.033 0.000 0.951 86 E CA 0.463 56.855 56.400 -0.014 0.000 0.843 86 E CB 0.514 30.215 29.700 0.003 0.000 0.807 86 E HN 0.561 nan 8.360 nan 0.000 0.467 87 D N -0.407 119.989 120.400 -0.006 0.000 2.553 87 D HA 0.055 4.695 4.640 0.000 0.000 0.249 87 D C 0.928 177.252 176.300 0.041 0.000 1.062 87 D CA -0.629 53.379 54.000 0.014 0.000 1.085 87 D CB 0.886 41.728 40.800 0.070 0.000 1.350 87 D HN 0.004 nan 8.370 nan 0.000 0.575 88 I N -0.100 120.510 120.570 0.067 0.000 2.546 88 I HA -0.195 3.975 4.170 0.000 0.000 0.255 88 I C 1.917 178.056 176.117 0.037 0.000 1.163 88 I CA 1.313 62.624 61.300 0.019 0.000 1.457 88 I CB -0.461 37.523 38.000 -0.027 0.000 1.092 88 I HN 0.331 nan 8.210 nan 0.000 0.434 89 H N -0.439 118.620 119.070 -0.017 0.000 2.389 89 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 89 H C 1.941 177.257 175.328 -0.019 0.000 1.081 89 H CA 1.772 57.811 56.048 -0.016 0.000 1.345 89 H CB -0.439 29.316 29.762 -0.011 0.000 1.393 89 H HN 0.363 nan 8.280 nan 0.000 0.520 90 T N 1.304 115.937 114.554 0.132 0.000 2.588 90 T HA -0.139 4.211 4.350 0.000 0.000 0.261 90 T C 2.454 177.171 174.700 0.029 0.000 1.069 90 T CA 1.181 63.320 62.100 0.065 0.000 1.172 90 T CB -0.807 68.086 68.868 0.041 0.000 0.863 90 T HN 0.429 nan 8.240 nan 0.000 0.408 91 A N 2.620 125.447 122.820 0.013 0.000 2.001 91 A HA -0.330 3.990 4.320 0.000 0.000 0.224 91 A C 2.263 179.837 177.584 -0.017 0.000 1.203 91 A CA 2.192 54.222 52.037 -0.011 0.000 0.667 91 A CB -0.894 18.091 19.000 -0.025 0.000 0.823 91 A HN 0.515 nan 8.150 nan 0.000 0.473 92 N N -1.015 117.676 118.700 -0.015 0.000 2.132 92 N HA -0.082 4.658 4.740 0.000 0.000 0.187 92 N C 1.753 177.236 175.510 -0.045 0.000 1.038 92 N CA 1.532 54.563 53.050 -0.030 0.000 0.846 92 N CB -0.393 38.072 38.487 -0.036 0.000 1.012 92 N HN 0.602 nan 8.380 nan 0.000 0.429 93 E N 0.942 121.107 120.200 -0.059 0.000 2.153 93 E HA -0.074 4.276 4.350 0.000 0.000 0.194 93 E C 1.919 178.504 176.600 -0.025 0.000 0.988 93 E CA 0.613 56.955 56.400 -0.096 0.000 0.811 93 E CB 0.014 29.616 29.700 -0.163 0.000 0.746 93 E HN 0.133 nan 8.360 nan 0.000 0.466 94 R N 0.168 120.667 120.500 -0.001 0.000 2.189 94 R HA -0.096 4.244 4.340 0.000 0.000 0.223 94 R C 2.169 178.466 176.300 -0.004 0.000 1.092 94 R CA 1.542 57.648 56.100 0.010 0.000 0.989 94 R CB 0.022 30.327 30.300 0.008 0.000 0.876 94 R HN 0.160 nan 8.270 nan 0.000 0.457 95 R N 0.615 121.104 120.500 -0.018 0.000 2.123 95 R HA 0.113 4.453 4.340 0.000 0.000 0.209 95 R C 2.211 178.495 176.300 -0.027 0.000 1.078 95 R CA 0.567 56.652 56.100 -0.025 0.000 1.028 95 R CB -1.217 29.062 30.300 -0.035 0.000 0.939 95 R HN 0.175 nan 8.270 nan 0.000 0.463 96 L N 0.998 122.200 121.223 -0.034 0.000 2.042 96 L HA -0.085 4.255 4.340 0.000 0.000 0.210 96 L C 2.135 178.996 176.870 -0.015 0.000 1.076 96 L CA 2.340 57.157 54.840 -0.037 0.000 0.749 96 L CB -0.606 41.416 42.059 -0.062 0.000 0.893 96 L HN 0.431 nan 8.230 nan 0.000 0.432 97 K N -0.406 119.993 120.400 -0.001 0.000 2.442 97 K HA -0.228 4.092 4.320 0.000 0.000 0.198 97 K C 1.742 178.352 176.600 0.016 0.000 1.044 97 K CA 1.244 57.545 56.287 0.023 0.000 0.948 97 K CB 0.259 32.787 32.500 0.047 0.000 0.762 97 K HN 0.442 nan 8.250 nan 0.000 0.472 98 E N 0.708 120.911 120.200 0.005 0.000 2.035 98 E HA -0.136 4.214 4.350 0.000 0.000 0.191 98 E C 1.805 178.408 176.600 0.004 0.000 0.966 98 E CA 1.173 57.575 56.400 0.004 0.000 0.823 98 E CB -0.521 29.177 29.700 -0.003 0.000 0.791 98 E HN 0.192 nan 8.360 nan 0.000 0.459 99 L N -0.064 121.158 121.223 -0.003 0.000 2.089 99 L HA -0.158 4.182 4.340 0.000 0.000 0.213 99 L C 2.152 179.029 176.870 0.011 0.000 1.079 99 L CA 1.622 56.462 54.840 -0.000 0.000 0.758 99 L CB -0.867 41.182 42.059 -0.017 0.000 0.891 99 L HN 0.189 nan 8.230 nan 0.000 0.433 100 I N -0.393 120.184 120.570 0.011 0.000 2.681 100 I HA 0.249 4.419 4.170 0.000 0.000 0.247 100 I C 2.288 178.419 176.117 0.025 0.000 1.091 100 I CA 1.240 62.553 61.300 0.022 0.000 1.442 100 I CB -1.494 36.519 38.000 0.022 0.000 1.219 100 I HN 0.438 nan 8.210 nan 0.000 0.451 101 G N 1.315 110.131 108.800 0.026 0.000 4.825 101 G HA2 -0.411 3.549 3.960 0.000 0.000 0.224 101 G HA3 -0.411 3.549 3.960 0.000 0.000 0.224 101 G C 1.421 176.343 174.900 0.037 0.000 1.356 101 G CA 1.631 46.749 45.100 0.030 0.000 0.966 101 G HN 0.616 nan 8.290 nan 0.000 0.690 102 A N -0.399 122.440 122.820 0.032 0.000 1.848 102 A HA 0.118 4.439 4.320 0.000 0.000 0.211 102 A C 2.548 180.157 177.584 0.043 0.000 1.225 102 A CA 3.968 56.024 52.037 0.032 0.000 0.637 102 A CB -1.483 17.532 19.000 0.026 0.000 0.867 102 A HN 1.335 nan 8.150 nan 0.000 0.463 103 T N 0.918 115.497 114.554 0.042 0.000 2.680 103 T HA -0.206 4.144 4.350 0.000 0.000 0.268 103 T C 2.053 176.799 174.700 0.077 0.000 1.033 103 T CA 2.277 64.408 62.100 0.050 0.000 1.152 103 T CB -0.924 67.969 68.868 0.042 0.000 0.859 103 T HN 0.794 nan 8.240 nan 0.000 0.452 104 A N 1.843 124.709 122.820 0.077 0.000 1.896 104 A HA -0.109 4.211 4.320 0.000 0.000 0.220 104 A C 2.722 180.451 177.584 0.243 0.000 1.206 104 A CA 2.364 54.465 52.037 0.107 0.000 0.647 104 A CB -1.688 17.357 19.000 0.074 0.000 0.828 104 A HN 0.576 nan 8.150 nan 0.000 0.455 105 G N -0.767 108.143 108.800 0.183 0.000 2.469 105 G HA2 -0.319 3.641 3.960 0.000 0.000 0.219 105 G HA3 -0.319 3.641 3.960 0.000 0.000 0.219 105 G C 1.636 176.588 174.900 0.087 0.000 1.150 105 G CA 1.654 46.841 45.100 0.145 0.000 0.763 105 G HN 0.576 nan 8.290 nan 0.000 0.561 106 K N 0.227 120.695 120.400 0.113 0.000 2.228 106 K HA 0.091 4.411 4.320 0.000 0.000 0.202 106 K C 2.311 179.033 176.600 0.203 0.000 1.051 106 K CA 0.706 57.051 56.287 0.098 0.000 0.960 106 K CB -0.480 32.058 32.500 0.062 0.000 0.743 106 K HN 0.253 nan 8.250 nan 0.000 0.458 107 L N 1.319 122.712 121.223 0.283 0.000 2.123 107 L HA -0.273 4.067 4.340 0.000 0.000 0.217 107 L C 0.846 177.928 176.870 0.353 0.000 1.081 107 L CA 2.232 57.226 54.840 0.257 0.000 0.772 107 L CB -0.717 41.422 42.059 0.133 0.000 0.890 107 L HN 0.533 nan 8.230 nan 0.000 0.437 108 H N -2.398 116.734 119.070 0.104 0.000 2.591 108 H HA 0.405 4.961 4.556 0.000 0.000 0.302 108 H C -0.401 174.985 175.328 0.098 0.000 1.163 108 H CA -0.411 55.699 56.048 0.103 0.000 1.049 108 H CB -0.854 28.939 29.762 0.053 0.000 1.543 108 H HN 0.173 nan 8.280 nan 0.000 0.523 109 T N 0.673 115.350 114.554 0.206 0.000 2.771 109 T HA 0.374 4.724 4.350 0.000 0.000 0.291 109 T C 1.403 176.216 174.700 0.188 0.000 0.954 109 T CA 0.299 62.474 62.100 0.124 0.000 1.045 109 T CB 1.402 70.323 68.868 0.089 0.000 0.917 109 T HN 0.788 nan 8.240 nan 0.000 0.484 110 G N 1.820 110.687 108.800 0.112 0.000 2.320 110 G HA2 -0.209 3.751 3.960 0.000 0.000 0.242 110 G HA3 -0.209 3.751 3.960 0.000 0.000 0.242 110 G C 0.370 175.314 174.900 0.074 0.000 1.033 110 G CA 0.063 45.235 45.100 0.120 0.000 0.620 110 G HN 1.080 nan 8.290 nan 0.000 0.517 111 R N 0.792 121.300 120.500 0.013 0.000 2.247 111 R HA 0.823 5.163 4.340 0.000 0.000 0.329 111 R C 0.683 176.917 176.300 -0.110 0.000 1.014 111 R CA 0.775 56.768 56.100 -0.179 0.000 0.907 111 R CB 0.094 nan 30.300 nan 0.000 1.146 111 R HN 1.542 nan 8.270 nan 0.000 0.499 112 S N 1.188 116.828 115.700 -0.100 0.000 2.661 112 S HA 0.338 4.808 4.470 0.000 0.000 0.265 112 S C 0.863 175.383 174.600 -0.134 0.000 1.225 112 S CA -0.903 57.240 58.200 -0.094 0.000 0.986 112 S CB 1.046 64.190 63.200 -0.094 0.000 1.008 112 S HN 0.588 nan 8.310 nan 0.000 0.565 113 R N 2.224 122.632 120.500 -0.154 0.000 2.080 113 R HA -0.120 4.220 4.340 0.000 0.000 0.236 113 R C 2.204 178.331 176.300 -0.289 0.000 1.137 113 R CA 2.040 57.997 56.100 -0.238 0.000 0.943 113 R CB -1.721 28.435 30.300 -0.240 0.000 0.846 113 R HN 0.920 nan 8.270 nan 0.000 0.431 114 N N 1.363 119.822 118.700 -0.402 0.000 2.192 114 N HA -0.192 4.548 4.740 0.000 0.000 0.188 114 N C 0.865 176.182 175.510 -0.322 0.000 1.013 114 N CA 1.702 54.398 53.050 -0.591 0.000 0.863 114 N CB -0.332 37.545 38.487 -1.017 0.000 0.990 114 N HN 0.398 nan 8.380 nan 0.000 0.430 115 D N -0.002 120.267 120.400 -0.218 0.000 2.338 115 D HA -0.093 4.547 4.640 0.000 0.000 0.208 115 D C 1.886 178.120 176.300 -0.109 0.000 0.997 115 D CA 0.246 54.157 54.000 -0.148 0.000 0.880 115 D CB -0.480 40.241 40.800 -0.131 0.000 0.980 115 D HN 0.324 nan 8.370 nan 0.000 0.509 116 Q N 0.889 120.630 119.800 -0.098 0.000 2.016 116 Q HA -0.099 4.241 4.340 0.000 0.000 0.200 116 Q C 2.172 178.247 176.000 0.124 0.000 0.978 116 Q CA 1.608 57.408 55.803 -0.005 0.000 0.833 116 Q CB 0.175 28.947 28.738 0.056 0.000 0.895 116 Q HN 0.138 nan 8.270 nan 0.000 0.427 117 V N 0.052 120.042 119.914 0.128 0.000 2.358 117 V HA -0.208 3.912 4.120 0.000 0.000 0.246 117 V C 2.268 178.425 176.094 0.106 0.000 1.047 117 V CA 1.399 63.825 62.300 0.210 0.000 1.035 117 V CB -0.487 31.384 31.823 0.081 0.000 0.658 117 V HN 0.239 nan 8.190 nan 0.000 0.452 118 V N 0.271 120.201 119.914 0.026 0.000 2.759 118 V HA -0.210 3.910 4.120 0.000 0.000 0.256 118 V C 2.464 178.515 176.094 -0.071 0.000 1.080 118 V CA 2.291 64.586 62.300 -0.008 0.000 1.101 118 V CB -1.109 30.684 31.823 -0.051 0.000 0.698 118 V HN 0.631 nan 8.190 nan 0.000 0.477 119 T N -0.634 113.904 114.554 -0.027 0.000 2.896 119 T HA -0.137 4.213 4.350 0.000 0.000 0.263 119 T C 1.564 176.293 174.700 0.049 0.000 1.050 119 T CA 1.412 63.516 62.100 0.008 0.000 1.140 119 T CB -0.310 68.572 68.868 0.023 0.000 0.877 119 T HN 0.417 nan 8.240 nan 0.000 0.457 120 D N 0.280 120.707 120.400 0.045 0.000 2.310 120 D HA 0.018 4.658 4.640 0.000 0.000 0.212 120 D C 1.611 177.949 176.300 0.063 0.000 0.965 120 D CA 0.330 54.348 54.000 0.030 0.000 0.879 120 D CB 0.016 40.816 40.800 0.001 0.000 0.921 120 D HN 0.158 nan 8.370 nan 0.000 0.510 121 L N -0.362 120.902 121.223 0.069 0.000 2.467 121 L HA 0.197 4.537 4.340 0.000 0.000 0.213 121 L C 1.859 178.769 176.870 0.066 0.000 1.053 121 L CA 0.634 55.534 54.840 0.099 0.000 0.847 121 L CB 0.014 42.169 42.059 0.161 0.000 1.075 121 L HN -0.235 nan 8.230 nan 0.000 0.479 122 R N -0.131 120.302 120.500 -0.111 0.000 2.083 122 R HA -0.119 4.221 4.340 0.000 0.000 0.237 122 R C 2.197 178.520 176.300 0.039 0.000 1.137 122 R CA 1.672 57.626 56.100 -0.244 0.000 0.951 122 R CB -1.021 29.006 30.300 -0.455 0.000 0.851 122 R HN 0.369 nan 8.270 nan 0.000 0.434 123 L N -0.097 121.231 121.223 0.175 0.000 2.013 123 L HA -0.232 4.108 4.340 0.000 0.000 0.212 123 L C 2.579 179.526 176.870 0.127 0.000 1.073 123 L CA 1.593 56.539 54.840 0.177 0.000 0.753 123 L CB -0.524 41.605 42.059 0.118 0.000 0.890 123 L HN 0.433 nan 8.230 nan 0.000 0.432 124 W N 0.508 121.774 121.300 -0.058 0.000 2.354 124 W HA -0.247 4.413 4.660 -0.000 0.000 0.315 124 W C 2.328 178.784 176.519 -0.106 0.000 1.206 124 W CA 1.399 58.698 57.345 -0.078 0.000 1.290 124 W CB -0.337 29.095 29.460 -0.048 0.000 1.152 124 W HN 0.134 nan 8.180 nan 0.000 0.489 125 M N 0.680 120.280 119.600 -0.001 0.000 2.106 125 M HA -0.266 4.214 4.480 0.000 0.000 0.259 125 M C 2.472 178.588 176.300 -0.306 0.000 1.068 125 M CA 2.261 57.407 55.300 -0.257 0.000 1.100 125 M CB -0.808 31.691 32.600 -0.168 0.000 1.351 125 M HN -0.077 nan 8.290 nan 0.000 0.404 126 R N 0.604 121.005 120.500 -0.165 0.000 2.193 126 R HA -0.178 4.162 4.340 0.000 0.000 0.229 126 R C 1.851 178.042 176.300 -0.182 0.000 1.110 126 R CA 1.498 57.515 56.100 -0.139 0.000 0.988 126 R CB -0.398 29.906 30.300 0.007 0.000 0.871 126 R HN 0.549 nan 8.270 nan 0.000 0.458 127 Q N 0.362 120.024 119.800 -0.230 0.000 2.165 127 Q HA -0.041 4.299 4.340 0.000 0.000 0.197 127 Q C 1.120 176.912 176.000 -0.346 0.000 0.952 127 Q CA 1.718 57.368 55.803 -0.255 0.000 0.848 127 Q CB 0.050 28.641 28.738 -0.245 0.000 0.931 127 Q HN 0.348 nan 8.270 nan 0.000 0.470 128 T N -0.005 114.245 114.554 -0.507 0.000 2.962 128 T HA -0.051 4.299 4.350 0.000 0.000 0.270 128 T C 1.935 176.440 174.700 -0.325 0.000 1.088 128 T CA 0.966 62.758 62.100 -0.513 0.000 1.127 128 T CB -0.275 68.140 68.868 -0.754 0.000 0.883 128 T HN 0.290 nan 8.240 nan 0.000 0.493 129 C N 0.857 119.962 119.300 -0.325 0.000 2.512 129 C HA 0.179 4.639 4.460 0.000 0.000 0.276 129 C C 3.158 177.980 174.990 -0.280 0.000 1.368 129 C CA 0.131 58.978 59.018 -0.286 0.000 1.755 129 C CB -1.061 26.484 27.740 -0.324 0.000 2.008 129 C HN 0.571 nan 8.230 nan 0.000 0.511 130 S N 1.020 116.568 115.700 -0.254 0.000 2.356 130 S HA -0.165 4.305 4.470 0.000 0.000 0.223 130 S C 1.920 176.378 174.600 -0.236 0.000 1.032 130 S CA 2.417 60.476 58.200 -0.235 0.000 1.005 130 S CB -0.357 62.738 63.200 -0.174 0.000 0.867 130 S HN 0.714 nan 8.310 nan 0.000 0.449 131 T N 3.241 117.672 114.554 -0.204 0.000 2.643 131 T HA -0.041 4.309 4.350 0.000 0.000 0.264 131 T C 1.770 176.382 174.700 -0.147 0.000 1.045 131 T CA 1.117 63.123 62.100 -0.157 0.000 1.155 131 T CB -0.543 68.229 68.868 -0.161 0.000 0.863 131 T HN 0.186 nan 8.240 nan 0.000 0.420 132 L N 1.231 122.369 121.223 -0.143 0.000 2.081 132 L HA -0.067 4.273 4.340 0.000 0.000 0.212 132 L C 2.644 179.407 176.870 -0.179 0.000 1.080 132 L CA 1.562 56.353 54.840 -0.081 0.000 0.754 132 L CB -1.408 40.634 42.059 -0.028 0.000 0.893 132 L HN 0.291 nan 8.230 nan 0.000 0.433 133 S N -0.956 114.522 115.700 -0.369 0.000 2.461 133 S HA -0.027 4.443 4.470 0.000 0.000 0.228 133 S C 1.856 175.945 174.600 -0.850 0.000 1.005 133 S CA 0.827 58.614 58.200 -0.689 0.000 0.942 133 S CB -0.002 62.656 63.200 -0.903 0.000 0.776 133 S HN 0.571 nan 8.310 nan 0.000 0.514 134 G N 1.212 109.758 108.800 -0.422 0.000 2.396 134 G HA2 0.016 3.976 3.960 0.000 0.000 0.214 134 G HA3 0.016 3.976 3.960 0.000 0.000 0.214 134 G C 1.325 176.249 174.900 0.039 0.000 1.166 134 G CA 0.283 45.320 45.100 -0.106 0.000 0.793 134 G HN 0.462 nan 8.290 nan 0.000 0.533 135 L N -0.195 121.023 121.223 -0.008 0.000 2.017 135 L HA -0.046 4.294 4.340 0.000 0.000 0.208 135 L C 2.694 179.608 176.870 0.073 0.000 1.073 135 L CA 0.692 55.557 54.840 0.042 0.000 0.745 135 L CB -0.469 41.609 42.059 0.032 0.000 0.894 135 L HN 0.217 nan 8.230 nan 0.000 0.432 136 L N -1.040 120.215 121.223 0.053 0.000 2.083 136 L HA -0.199 4.141 4.340 0.000 0.000 0.209 136 L C 2.201 179.195 176.870 0.205 0.000 1.083 136 L CA 1.691 56.592 54.840 0.101 0.000 0.752 136 L CB -0.639 41.482 42.059 0.103 0.000 0.899 136 L HN 0.234 nan 8.230 nan 0.000 0.433 137 W N 0.027 121.342 121.300 0.024 0.000 2.363 137 W HA -0.119 4.541 4.660 -0.000 0.000 0.296 137 W C 2.621 179.137 176.519 -0.005 0.000 1.212 137 W CA 0.918 58.265 57.345 0.004 0.000 1.260 137 W CB -0.670 28.789 29.460 -0.001 0.000 1.131 137 W HN 0.195 nan 8.180 nan 0.000 0.530 138 E N 0.040 120.379 120.200 0.232 0.000 2.150 138 E HA -0.121 4.229 4.350 0.000 0.000 0.193 138 E C 2.339 178.984 176.600 0.076 0.000 0.985 138 E CA 0.568 57.040 56.400 0.121 0.000 0.814 138 E CB -0.773 28.985 29.700 0.096 0.000 0.752 138 E HN 0.258 nan 8.360 nan 0.000 0.466 139 L N 0.334 121.604 121.223 0.078 0.000 2.046 139 L HA -0.165 4.175 4.340 0.000 0.000 0.208 139 L C 2.168 179.051 176.870 0.022 0.000 1.077 139 L CA 1.112 55.974 54.840 0.037 0.000 0.747 139 L CB -0.135 41.944 42.059 0.033 0.000 0.896 139 L HN 0.118 nan 8.230 nan 0.000 0.432 140 I N -1.266 119.333 120.570 0.047 0.000 2.546 140 I HA -0.217 3.953 4.170 0.000 0.000 0.255 140 I C 2.682 178.789 176.117 -0.017 0.000 1.163 140 I CA 0.597 61.902 61.300 0.007 0.000 1.457 140 I CB -0.422 37.597 38.000 0.032 0.000 1.092 140 I HN 0.202 nan 8.210 nan 0.000 0.434 141 R N 0.599 121.101 120.500 0.005 0.000 2.073 141 R HA -0.092 4.248 4.340 0.000 0.000 0.229 141 R C 2.283 178.576 176.300 -0.011 0.000 1.120 141 R CA 1.660 57.750 56.100 -0.018 0.000 0.967 141 R CB -0.343 29.954 30.300 -0.006 0.000 0.862 141 R HN 0.235 nan 8.270 nan 0.000 0.436 142 T N 1.153 115.709 114.554 0.004 0.000 2.788 142 T HA -0.123 4.227 4.350 0.000 0.000 0.268 142 T C 1.831 176.532 174.700 0.001 0.000 1.044 142 T CA 1.504 63.609 62.100 0.008 0.000 1.139 142 T CB -0.021 68.856 68.868 0.014 0.000 0.867 142 T HN 0.189 nan 8.240 nan 0.000 0.454 143 M N 0.093 119.680 119.600 -0.021 0.000 2.098 143 M HA -0.026 4.454 4.480 0.000 0.000 0.262 143 M C 2.438 178.708 176.300 -0.050 0.000 1.072 143 M CA 1.091 56.365 55.300 -0.043 0.000 1.133 143 M CB -0.442 32.103 32.600 -0.091 0.000 1.344 143 M HN 0.032 nan 8.290 nan 0.000 0.414 144 V N 0.747 120.624 119.914 -0.062 0.000 2.332 144 V HA -0.300 3.820 4.120 0.000 0.000 0.248 144 V C 1.521 177.595 176.094 -0.034 0.000 1.055 144 V CA 2.130 64.389 62.300 -0.067 0.000 1.038 144 V CB -0.846 30.928 31.823 -0.082 0.000 0.651 144 V HN 0.415 nan 8.190 nan 0.000 0.450 145 D N -0.635 119.754 120.400 -0.018 0.000 2.144 145 D HA -0.143 4.497 4.640 0.000 0.000 0.199 145 D C 2.343 178.660 176.300 0.028 0.000 0.984 145 D CA 1.044 55.045 54.000 0.002 0.000 0.834 145 D CB -0.221 40.582 40.800 0.004 0.000 0.955 145 D HN 0.302 nan 8.370 nan 0.000 0.465 146 R N 0.299 120.824 120.500 0.042 0.000 2.090 146 R HA 0.017 4.357 4.340 0.000 0.000 0.228 146 R C 2.048 178.415 176.300 0.112 0.000 1.110 146 R CA 1.059 57.213 56.100 0.090 0.000 0.973 146 R CB -0.087 30.283 30.300 0.117 0.000 0.869 146 R HN 0.121 nan 8.270 nan 0.000 0.440 147 A N 1.197 124.052 122.820 0.059 0.000 1.892 147 A HA -0.265 4.056 4.320 0.000 0.000 0.218 147 A C 2.014 179.647 177.584 0.082 0.000 1.188 147 A CA 1.842 53.910 52.037 0.052 0.000 0.631 147 A CB -0.699 18.284 19.000 -0.028 0.000 0.822 147 A HN 0.582 nan 8.150 nan 0.000 0.447 148 E N -0.349 119.883 120.200 0.053 0.000 2.049 148 E HA -0.193 4.157 4.350 0.000 0.000 0.198 148 E C 2.228 178.873 176.600 0.075 0.000 1.007 148 E CA 1.267 57.699 56.400 0.053 0.000 0.809 148 E CB -0.290 29.429 29.700 0.031 0.000 0.749 148 E HN 0.549 nan 8.360 nan 0.000 0.450 149 A N 0.809 123.677 122.820 0.080 0.000 1.883 149 A HA -0.204 4.116 4.320 0.000 0.000 0.217 149 A C 1.790 179.441 177.584 0.112 0.000 1.186 149 A CA 1.772 53.860 52.037 0.086 0.000 0.624 149 A CB -0.387 18.660 19.000 0.079 0.000 0.822 149 A HN 0.311 nan 8.150 nan 0.000 0.444 150 E N -1.364 118.939 120.200 0.173 0.000 2.463 150 E HA 0.107 4.457 4.350 0.000 0.000 0.193 150 E C 1.613 178.351 176.600 0.231 0.000 1.041 150 E CA -0.311 56.214 56.400 0.208 0.000 0.879 150 E CB 0.081 29.971 29.700 0.317 0.000 0.997 150 E HN 0.527 nan 8.360 nan 0.000 0.478 151 R N 1.277 121.888 120.500 0.185 0.000 2.227 151 R HA -0.247 4.093 4.340 0.000 0.000 0.259 151 R C 0.975 177.376 176.300 0.168 0.000 1.139 151 R CA 2.182 58.383 56.100 0.169 0.000 0.969 151 R CB -0.078 30.294 30.300 0.119 0.000 0.903 151 R HN 0.179 nan 8.270 nan 0.000 0.452 152 D N -0.085 120.393 120.400 0.130 0.000 2.363 152 D HA 0.000 4.640 4.640 0.000 0.000 0.226 152 D C -0.004 176.361 176.300 0.108 0.000 1.020 152 D CA 0.290 54.357 54.000 0.110 0.000 0.892 152 D CB 0.194 41.041 40.800 0.079 0.000 0.900 152 D HN 0.049 nan 8.370 nan 0.000 0.531 153 V N 1.767 121.757 119.914 0.127 0.000 2.715 153 V HA 0.104 4.224 4.120 0.000 0.000 0.299 153 V C 0.618 176.803 176.094 0.153 0.000 1.054 153 V CA -0.131 62.218 62.300 0.082 0.000 1.077 153 V CB 1.424 33.229 31.823 -0.031 0.000 0.972 153 V HN -0.016 nan 8.190 nan 0.000 0.484 154 L N 5.248 126.522 121.223 0.086 0.000 2.334 154 L HA 0.791 5.131 4.340 0.000 0.000 0.273 154 L C -0.517 176.412 176.870 0.099 0.000 1.013 154 L CA -0.432 54.471 54.840 0.105 0.000 0.816 154 L CB 1.742 43.818 42.059 0.028 0.000 1.278 154 L HN 0.794 nan 8.230 nan 0.000 0.431 155 F N 1.932 121.766 119.950 -0.193 0.000 2.817 155 F HA 0.777 5.304 4.527 -0.000 0.000 0.317 155 F C -3.193 172.424 175.800 -0.304 0.000 1.168 155 F CA -2.034 55.738 58.000 -0.381 0.000 0.911 155 F CB 0.947 39.615 39.000 -0.554 0.000 1.337 155 F HN 0.118 nan 8.300 nan 0.000 0.464 156 P HA 0.477 nan 4.420 nan 0.000 0.283 156 P C -0.970 175.787 177.300 -0.905 0.000 1.271 156 P CA -0.291 62.364 63.100 -0.741 0.000 0.841 156 P CB 1.988 33.320 31.700 -0.612 0.000 1.122 157 G N 0.813 109.256 108.800 -0.596 0.000 2.368 157 G HA2 0.544 4.504 3.960 0.000 0.000 0.320 157 G HA3 0.544 4.504 3.960 0.000 0.000 0.320 157 G C -1.400 173.366 174.900 -0.223 0.000 1.158 157 G CA -0.303 44.602 45.100 -0.325 0.000 0.912 157 G HN 0.302 nan 8.290 nan 0.000 0.456 158 Y N 0.809 121.166 120.300 0.095 0.000 2.496 158 Y HA 0.515 5.065 4.550 -0.000 0.000 0.331 158 Y C 1.442 177.431 175.900 0.150 0.000 1.140 158 Y CA -0.605 57.583 58.100 0.147 0.000 1.166 158 Y CB 2.378 40.974 38.460 0.227 0.000 1.249 158 Y HN 0.588 nan 8.280 nan 0.000 0.479 159 T N -2.092 112.673 114.554 0.352 0.000 3.422 159 T HA 0.089 4.439 4.350 0.000 0.000 0.192 159 T C 0.241 175.136 174.700 0.326 0.000 0.857 159 T CA -0.100 62.192 62.100 0.319 0.000 1.400 159 T CB -0.226 68.858 68.868 0.361 0.000 1.864 159 T HN 0.574 nan 8.240 nan 0.000 0.415 160 H N 2.282 121.436 119.070 0.141 0.000 2.640 160 H HA 0.427 4.983 4.556 -0.000 0.000 0.220 160 H C 0.111 175.515 175.328 0.126 0.000 1.852 160 H CA -0.326 55.788 56.048 0.109 0.000 1.275 160 H CB -0.597 29.217 29.762 0.086 0.000 1.675 160 H HN 0.232 nan 8.280 nan 0.000 0.523 161 L N 0.735 122.106 121.223 0.247 0.000 3.976 161 L HA -0.306 4.034 4.340 0.000 0.000 0.418 161 L C -0.136 176.922 176.870 0.313 0.000 1.177 161 L CA 0.894 55.839 54.840 0.175 0.000 0.968 161 L CB -0.952 41.139 42.059 0.054 0.000 1.933 161 L HN 0.605 nan 8.230 nan 0.000 0.976 162 Q N -0.407 119.667 119.800 0.458 0.000 2.323 162 Q HA 0.406 4.746 4.340 0.000 0.000 0.271 162 Q C -0.129 176.075 176.000 0.341 0.000 1.048 162 Q CA -0.847 55.210 55.803 0.423 0.000 0.792 162 Q CB 1.719 30.589 28.738 0.220 0.000 1.280 162 Q HN 0.100 nan 8.270 nan 0.000 0.441 163 R N 1.562 122.186 120.500 0.207 0.000 2.912 163 R HA -0.168 4.172 4.340 0.000 0.000 0.308 163 R C 0.039 176.304 176.300 -0.059 0.000 0.787 163 R CA 0.767 56.789 56.100 -0.130 0.000 1.117 163 R CB 0.146 30.395 30.300 -0.085 0.000 0.893 163 R HN 0.724 nan 8.270 nan 0.000 0.401 164 A N 3.593 126.351 122.820 -0.105 0.000 1.988 164 A HA 0.096 4.416 4.320 0.000 0.000 0.198 164 A C 0.361 177.925 177.584 -0.033 0.000 1.507 164 A CA 0.415 52.438 52.037 -0.023 0.000 0.901 164 A CB 0.660 19.676 19.000 0.027 0.000 1.007 164 A HN 0.642 nan 8.150 nan 0.000 0.502 165 Q N -0.267 119.471 119.800 -0.103 0.000 2.340 165 Q HA 0.363 4.703 4.340 0.000 0.000 0.276 165 Q C -2.998 172.914 176.000 -0.148 0.000 1.048 165 Q CA -2.304 53.445 55.803 -0.090 0.000 0.832 165 Q CB 3.365 32.023 28.738 -0.133 0.000 1.373 165 Q HN 0.202 nan 8.270 nan 0.000 0.409 166 P HA 0.200 nan 4.420 nan 0.000 0.276 166 P C -0.980 176.249 177.300 -0.118 0.000 1.235 166 P CA 0.195 63.245 63.100 -0.083 0.000 0.772 166 P CB 0.355 32.114 31.700 0.099 0.000 0.871 167 I N -0.713 119.754 120.570 -0.170 0.000 2.913 167 I HA 0.574 4.744 4.170 0.000 0.000 0.302 167 I C -0.260 175.867 176.117 0.017 0.000 1.246 167 I CA -1.848 59.375 61.300 -0.128 0.000 1.010 167 I CB 2.425 40.310 38.000 -0.192 0.000 1.259 167 I HN 0.045 nan 8.210 nan 0.000 0.434 168 R N 2.423 123.000 120.500 0.128 0.000 2.694 168 R HA 0.055 4.395 4.340 0.000 0.000 0.268 168 R C 0.608 177.226 176.300 0.530 0.000 1.061 168 R CA -0.119 56.158 56.100 0.296 0.000 1.133 168 R CB 0.721 31.167 30.300 0.243 0.000 1.020 168 R HN 0.864 nan 8.270 nan 0.000 0.475 169 W N 2.229 123.743 121.300 0.357 0.000 2.436 169 W HA -0.116 4.544 4.660 0.000 0.000 0.284 169 W C 0.514 177.227 176.519 0.324 0.000 1.225 169 W CA 1.267 58.799 57.345 0.311 0.000 1.271 169 W CB 0.065 29.512 29.460 -0.020 0.000 1.114 169 W HN 0.478 nan 8.180 nan 0.000 0.559 170 S N -0.467 115.371 115.700 0.229 0.000 2.481 170 S HA -0.165 4.305 4.470 0.000 0.000 0.231 170 S C 1.501 176.103 174.600 0.004 0.000 0.996 170 S CA 0.646 58.860 58.200 0.023 0.000 0.942 170 S CB -0.733 62.536 63.200 0.115 0.000 0.768 170 S HN 0.357 nan 8.310 nan 0.000 0.520 171 H N -1.321 117.799 119.070 0.084 0.000 2.547 171 H HA -0.039 4.517 4.556 -0.000 0.000 0.272 171 H C 1.606 176.958 175.328 0.040 0.000 0.989 171 H CA 0.817 56.900 56.048 0.058 0.000 1.214 171 H CB 0.048 29.865 29.762 0.092 0.000 1.389 171 H HN 0.627 nan 8.280 nan 0.000 0.577 172 W N 0.639 121.887 121.300 -0.088 0.000 2.601 172 W HA 0.022 4.682 4.660 0.000 0.000 0.292 172 W C 1.955 178.255 176.519 -0.365 0.000 1.153 172 W CA 0.193 57.452 57.345 -0.144 0.000 1.448 172 W CB -0.477 29.028 29.460 0.076 0.000 1.113 172 W HN -0.075 nan 8.180 nan 0.000 0.548 173 I N 1.252 121.490 120.570 -0.554 0.000 2.248 173 I HA -0.271 3.899 4.170 0.000 0.000 0.248 173 I C 2.168 177.960 176.117 -0.542 0.000 1.107 173 I CA 1.319 62.211 61.300 -0.680 0.000 1.373 173 I CB -1.484 36.223 38.000 -0.489 0.000 1.055 173 I HN 0.108 nan 8.210 nan 0.000 0.418 174 L N 0.845 121.802 121.223 -0.443 0.000 2.217 174 L HA -0.091 4.249 4.340 0.000 0.000 0.211 174 L C 2.712 179.325 176.870 -0.428 0.000 1.107 174 L CA 1.677 56.290 54.840 -0.378 0.000 0.783 174 L CB -0.854 41.007 42.059 -0.330 0.000 0.919 174 L HN 0.318 nan 8.230 nan 0.000 0.442 175 S N -2.971 112.390 115.700 -0.565 0.000 2.489 175 S HA -0.122 4.348 4.470 0.000 0.000 0.228 175 S C 1.661 175.947 174.600 -0.523 0.000 0.995 175 S CA 0.629 58.519 58.200 -0.516 0.000 0.934 175 S CB -0.700 62.190 63.200 -0.518 0.000 0.771 175 S HN 0.611 nan 8.310 nan 0.000 0.522 176 H N 0.032 118.824 119.070 -0.464 0.000 2.575 176 H HA 0.502 5.058 4.556 -0.000 0.000 0.267 176 H C 2.157 177.290 175.328 -0.325 0.000 0.966 176 H CA 0.291 56.088 56.048 -0.418 0.000 1.165 176 H CB 0.270 29.712 29.762 -0.534 0.000 1.433 176 H HN 0.559 nan 8.280 nan 0.000 0.544 177 A N 0.306 122.993 122.820 -0.221 0.000 1.862 177 A HA -0.039 4.281 4.320 0.000 0.000 0.211 177 A C 2.312 179.798 177.584 -0.163 0.000 1.220 177 A CA 0.661 52.595 52.037 -0.171 0.000 0.616 177 A CB -0.672 18.219 19.000 -0.181 0.000 0.878 177 A HN 0.161 nan 8.150 nan 0.000 0.453 178 V N 0.494 120.292 119.914 -0.193 0.000 2.324 178 V HA -0.313 3.807 4.120 0.000 0.000 0.250 178 V C 2.997 178.992 176.094 -0.164 0.000 1.060 178 V CA 2.201 64.401 62.300 -0.167 0.000 1.042 178 V CB -1.258 30.460 31.823 -0.174 0.000 0.650 178 V HN 0.600 nan 8.190 nan 0.000 0.450 179 A N -0.952 121.735 122.820 -0.221 0.000 1.968 179 A HA -0.036 4.284 4.320 0.000 0.000 0.217 179 A C 2.183 179.530 177.584 -0.394 0.000 1.169 179 A CA 1.319 53.147 52.037 -0.347 0.000 0.638 179 A CB -0.372 18.358 19.000 -0.451 0.000 0.812 179 A HN 0.505 nan 8.150 nan 0.000 0.446 180 L N -1.334 119.744 121.223 -0.241 0.000 2.313 180 L HA -0.068 4.272 4.340 0.000 0.000 0.214 180 L C 2.631 179.495 176.870 -0.010 0.000 1.119 180 L CA 1.225 55.993 54.840 -0.120 0.000 0.809 180 L CB -0.339 41.676 42.059 -0.073 0.000 0.933 180 L HN 0.344 nan 8.230 nan 0.000 0.449 181 T N -0.688 113.847 114.554 -0.031 0.000 2.821 181 T HA -0.187 4.163 4.350 0.000 0.000 0.267 181 T C 2.056 176.791 174.700 0.060 0.000 1.046 181 T CA 1.173 63.288 62.100 0.025 0.000 1.139 181 T CB -0.006 68.842 68.868 -0.032 0.000 0.871 181 T HN 0.219 nan 8.240 nan 0.000 0.454 182 R N 0.564 121.078 120.500 0.023 0.000 2.096 182 R HA -0.084 4.256 4.340 0.000 0.000 0.235 182 R C 2.011 178.399 176.300 0.146 0.000 1.127 182 R CA 1.552 57.691 56.100 0.065 0.000 0.968 182 R CB -0.140 30.184 30.300 0.041 0.000 0.861 182 R HN 0.416 nan 8.270 nan 0.000 0.440 183 D N -0.632 119.876 120.400 0.180 0.000 2.144 183 D HA -0.139 4.501 4.640 0.000 0.000 0.199 183 D C 1.617 178.143 176.300 0.377 0.000 0.984 183 D CA 1.212 55.419 54.000 0.345 0.000 0.834 183 D CB -0.079 40.906 40.800 0.308 0.000 0.955 183 D HN 0.130 nan 8.370 nan 0.000 0.465 184 S N -0.105 115.744 115.700 0.248 0.000 2.489 184 S HA -0.096 4.374 4.470 0.000 0.000 0.228 184 S C 1.656 176.344 174.600 0.147 0.000 0.995 184 S CA 0.419 58.725 58.200 0.176 0.000 0.934 184 S CB 0.169 63.541 63.200 0.288 0.000 0.771 184 S HN 0.196 nan 8.310 nan 0.000 0.522 185 E N 0.524 120.815 120.200 0.151 0.000 2.076 185 E HA -0.045 4.305 4.350 0.000 0.000 0.190 185 E C 2.270 178.920 176.600 0.082 0.000 0.979 185 E CA 0.441 56.909 56.400 0.113 0.000 0.807 185 E CB 0.055 29.812 29.700 0.095 0.000 0.761 185 E HN 0.450 nan 8.360 nan 0.000 0.454 186 R N 0.245 120.813 120.500 0.115 0.000 2.070 186 R HA -0.147 4.193 4.340 0.000 0.000 0.232 186 R C 2.484 178.767 176.300 -0.028 0.000 1.138 186 R CA 1.220 57.386 56.100 0.111 0.000 0.936 186 R CB -0.560 29.905 30.300 0.274 0.000 0.839 186 R HN 0.167 nan 8.270 nan 0.000 0.429 187 L N 1.184 122.294 121.223 -0.188 0.000 2.261 187 L HA -0.109 4.231 4.340 0.000 0.000 0.216 187 L C 1.824 178.528 176.870 -0.276 0.000 1.114 187 L CA 1.461 56.005 54.840 -0.492 0.000 0.777 187 L CB -0.207 41.380 42.059 -0.787 0.000 0.910 187 L HN 0.206 nan 8.230 nan 0.000 0.440 188 L N -1.573 119.569 121.223 -0.135 0.000 2.270 188 L HA -0.084 4.256 4.340 0.000 0.000 0.210 188 L C 2.261 179.103 176.870 -0.046 0.000 1.104 188 L CA 0.538 55.330 54.840 -0.080 0.000 0.804 188 L CB 0.000 42.071 42.059 0.020 0.000 0.937 188 L HN 0.225 nan 8.230 nan 0.000 0.450 189 E N -0.698 119.488 120.200 -0.024 0.000 2.152 189 E HA -0.172 4.178 4.350 0.000 0.000 0.192 189 E C 2.042 178.634 176.600 -0.012 0.000 0.983 189 E CA 0.664 57.064 56.400 -0.000 0.000 0.818 189 E CB 0.147 29.865 29.700 0.029 0.000 0.758 189 E HN 0.163 nan 8.360 nan 0.000 0.467 190 V N -0.075 119.816 119.914 -0.038 0.000 2.488 190 V HA -0.132 3.988 4.120 0.000 0.000 0.246 190 V C 2.246 178.299 176.094 -0.068 0.000 1.046 190 V CA 1.623 63.906 62.300 -0.028 0.000 1.053 190 V CB -0.151 31.660 31.823 -0.020 0.000 0.679 190 V HN 0.140 nan 8.190 nan 0.000 0.458 191 R N 0.466 120.899 120.500 -0.111 0.000 2.133 191 R HA -0.226 4.114 4.340 0.000 0.000 0.247 191 R C 2.160 178.415 176.300 -0.075 0.000 1.151 191 R CA 2.188 58.215 56.100 -0.122 0.000 0.971 191 R CB -0.250 29.968 30.300 -0.138 0.000 0.866 191 R HN 0.471 nan 8.270 nan 0.000 0.447 192 K N -1.251 119.118 120.400 -0.050 0.000 2.243 192 K HA 0.011 4.331 4.320 0.000 0.000 0.201 192 K C 1.984 178.556 176.600 -0.046 0.000 1.051 192 K CA 0.827 57.094 56.287 -0.034 0.000 0.970 192 K CB 0.130 32.620 32.500 -0.016 0.000 0.755 192 K HN -0.011 nan 8.250 nan 0.000 0.465 193 R N 0.449 120.924 120.500 -0.041 0.000 2.240 193 R HA 0.169 4.509 4.340 0.000 0.000 0.203 193 R C 1.497 177.744 176.300 -0.089 0.000 1.011 193 R CA 0.544 56.619 56.100 -0.042 0.000 1.007 193 R CB 0.136 30.440 30.300 0.007 0.000 0.911 193 R HN 0.133 nan 8.270 nan 0.000 0.468 194 I N -0.203 120.303 120.570 -0.107 0.000 2.703 194 I HA -0.102 4.068 4.170 0.000 0.000 0.259 194 I C 1.149 177.086 176.117 -0.301 0.000 1.151 194 I CA 0.360 61.547 61.300 -0.189 0.000 1.470 194 I CB -0.085 37.835 38.000 -0.135 0.000 1.112 194 I HN 0.060 nan 8.210 nan 0.000 0.437 195 N N 1.477 120.065 118.700 -0.187 0.000 2.586 195 N HA -0.001 4.739 4.740 0.000 0.000 0.206 195 N C -0.296 174.978 175.510 -0.393 0.000 1.377 195 N CA 0.229 53.196 53.050 -0.137 0.000 0.871 195 N CB -0.125 38.389 38.487 0.045 0.000 1.107 195 N HN 0.022 nan 8.380 nan 0.000 0.462 196 V N 1.012 120.582 119.914 -0.574 0.000 2.716 196 V HA 0.288 4.408 4.120 0.000 0.000 0.304 196 V C 0.377 175.960 176.094 -0.851 0.000 1.053 196 V CA -0.940 61.052 62.300 -0.513 0.000 0.984 196 V CB 2.551 34.181 31.823 -0.322 0.000 1.021 196 V HN 0.047 nan 8.190 nan 0.000 0.467 197 L N 6.787 127.704 121.223 -0.509 0.000 2.287 197 L HA 0.520 4.860 4.340 0.000 0.000 0.287 197 L C -1.892 174.861 176.870 -0.194 0.000 1.022 197 L CA -1.568 53.056 54.840 -0.360 0.000 0.814 197 L CB 2.384 44.465 42.059 0.037 0.000 1.217 197 L HN 0.472 nan 8.230 nan 0.000 0.420 198 P HA -0.014 nan 4.420 nan 0.000 0.242 198 P C 0.553 177.816 177.300 -0.062 0.000 1.176 198 P CA -0.275 62.751 63.100 -0.122 0.000 0.859 198 P CB 0.857 32.464 31.700 -0.156 0.000 1.010 199 L N 1.664 122.865 121.223 -0.036 0.000 2.693 199 L HA 0.127 4.467 4.340 0.000 0.000 0.292 199 L C 1.376 178.258 176.870 0.021 0.000 1.243 199 L CA 2.294 57.122 54.840 -0.019 0.000 0.903 199 L CB -1.145 40.933 42.059 0.031 0.000 1.160 199 L HN 0.499 nan 8.230 nan 0.000 0.496 200 G N 2.325 111.125 108.800 0.001 0.000 2.179 200 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 200 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 200 G C 0.838 175.754 174.900 0.027 0.000 0.990 200 G CA 0.256 45.402 45.100 0.076 0.000 0.646 200 G HN 0.671 nan 8.290 nan 0.000 0.517 201 S N 0.688 116.378 115.700 -0.016 0.000 2.671 201 S HA 0.430 4.900 4.470 0.000 0.000 0.220 201 S C 2.109 176.692 174.600 -0.030 0.000 0.951 201 S CA 1.198 59.385 58.200 -0.022 0.000 0.932 201 S CB -0.155 63.023 63.200 -0.035 0.000 0.777 201 S HN 2.053 nan 8.310 nan 0.000 0.508 202 G N 2.180 110.961 108.800 -0.031 0.000 2.665 202 G HA2 -0.369 3.591 3.960 0.000 0.000 0.326 202 G HA3 -0.369 3.591 3.960 0.000 0.000 0.326 202 G C 0.900 175.763 174.900 -0.062 0.000 1.231 202 G CA 0.694 45.774 45.100 -0.034 0.000 0.992 202 G HN 0.811 nan 8.290 nan 0.000 0.549 203 A N -2.745 120.049 122.820 -0.044 0.000 1.917 203 A HA 0.711 5.031 4.320 0.000 0.000 0.200 203 A C 1.998 179.566 177.584 -0.026 0.000 1.671 203 A CA 1.905 53.910 52.037 -0.055 0.000 1.034 203 A CB 0.314 19.292 19.000 -0.036 0.000 1.057 203 A HN 0.848 nan 8.150 nan 0.000 0.507 204 I N -1.108 119.458 120.570 -0.006 0.000 3.669 204 I HA 0.461 4.631 4.170 0.000 0.000 0.255 204 I C 1.152 177.271 176.117 0.004 0.000 1.144 204 I CA 0.821 62.126 61.300 0.009 0.000 1.447 204 I CB 0.126 38.136 38.000 0.018 0.000 1.622 204 I HN 0.242 nan 8.210 nan 0.000 0.435 205 A N 0.078 122.900 122.820 0.004 0.000 2.242 205 A HA 0.696 5.016 4.320 0.000 0.000 0.304 205 A C 0.915 178.501 177.584 0.003 0.000 1.100 205 A CA 0.067 52.107 52.037 0.005 0.000 0.860 205 A CB -0.614 18.390 19.000 0.007 0.000 1.168 205 A HN 0.321 nan 8.150 nan 0.000 0.503 206 G N -0.216 108.588 108.800 0.006 0.000 2.313 206 G HA2 0.085 4.045 3.960 0.000 0.000 0.283 206 G HA3 0.085 4.045 3.960 0.000 0.000 0.283 206 G C 0.236 175.148 174.900 0.020 0.000 1.476 206 G CA -0.186 44.920 45.100 0.011 0.000 1.054 206 G HN 0.707 nan 8.290 nan 0.000 0.550 207 N N 1.056 119.778 118.700 0.035 0.000 2.444 207 N HA 0.259 4.999 4.740 0.000 0.000 0.271 207 N C -0.915 174.621 175.510 0.042 0.000 1.069 207 N CA -1.551 51.533 53.050 0.057 0.000 0.965 207 N CB 1.926 40.468 38.487 0.091 0.000 1.092 207 N HN 0.124 nan 8.380 nan 0.000 0.476 208 P HA 0.021 nan 4.420 nan 0.000 0.219 208 P C 1.147 178.462 177.300 0.025 0.000 1.154 208 P CA 0.662 63.778 63.100 0.027 0.000 0.826 208 P CB 0.549 32.263 31.700 0.023 0.000 0.795 209 L N -0.970 120.272 121.223 0.032 0.000 2.622 209 L HA 0.140 4.480 4.340 0.000 0.000 0.233 209 L C 1.800 178.674 176.870 0.008 0.000 1.156 209 L CA 0.831 55.682 54.840 0.018 0.000 0.866 209 L CB -1.164 40.906 42.059 0.019 0.000 0.980 209 L HN 0.147 nan 8.230 nan 0.000 0.448 210 G N 0.169 108.979 108.800 0.016 0.000 2.205 210 G HA2 -0.327 3.633 3.960 0.000 0.000 0.261 210 G HA3 -0.327 3.633 3.960 0.000 0.000 0.261 210 G C 0.523 175.424 174.900 0.003 0.000 0.980 210 G CA 0.322 45.427 45.100 0.009 0.000 0.632 210 G HN 0.270 nan 8.290 nan 0.000 0.533 211 V N 2.781 122.690 119.914 -0.008 0.000 2.742 211 V HA 0.306 4.426 4.120 0.000 0.000 0.302 211 V C 0.770 176.863 176.094 -0.002 0.000 1.133 211 V CA 0.386 62.664 62.300 -0.037 0.000 1.284 211 V CB 0.240 31.994 31.823 -0.116 0.000 0.850 211 V HN 0.684 nan 8.190 nan 0.000 0.494 212 D N 7.402 127.796 120.400 -0.009 0.000 2.417 212 D HA 0.049 4.689 4.640 0.000 0.000 0.250 212 D C 0.905 177.221 176.300 0.027 0.000 1.166 212 D CA -0.325 53.680 54.000 0.008 0.000 0.881 212 D CB 0.851 41.651 40.800 0.000 0.000 1.164 212 D HN 0.643 nan 8.370 nan 0.000 0.467 213 R N 2.138 122.660 120.500 0.037 0.000 2.115 213 R HA -0.108 4.232 4.340 0.000 0.000 0.230 213 R C 1.593 177.921 176.300 0.046 0.000 1.111 213 R CA 0.553 56.683 56.100 0.051 0.000 0.976 213 R CB -0.276 30.048 30.300 0.039 0.000 0.870 213 R HN 0.573 nan 8.270 nan 0.000 0.445 214 E N 1.124 121.342 120.200 0.031 0.000 2.085 214 E HA -0.176 4.174 4.350 0.000 0.000 0.194 214 E C 1.979 178.596 176.600 0.028 0.000 0.994 214 E CA 0.914 57.330 56.400 0.027 0.000 0.801 214 E CB -0.193 29.517 29.700 0.016 0.000 0.743 214 E HN 0.114 nan 8.360 nan 0.000 0.453 215 L N 0.357 121.593 121.223 0.022 0.000 2.093 215 L HA -0.149 4.191 4.340 0.000 0.000 0.208 215 L C 2.048 178.936 176.870 0.031 0.000 1.085 215 L CA 0.996 55.846 54.840 0.016 0.000 0.755 215 L CB -0.272 41.788 42.059 0.001 0.000 0.904 215 L HN 0.099 nan 8.230 nan 0.000 0.435 216 L N -0.330 120.926 121.223 0.055 0.000 2.291 216 L HA -0.085 4.255 4.340 0.000 0.000 0.214 216 L C 2.510 179.437 176.870 0.096 0.000 1.120 216 L CA 1.558 56.450 54.840 0.087 0.000 0.799 216 L CB -1.160 40.979 42.059 0.135 0.000 0.925 216 L HN 0.474 nan 8.230 nan 0.000 0.446 217 R N -1.218 119.334 120.500 0.087 0.000 2.254 217 R HA 0.252 4.592 4.340 0.000 0.000 0.195 217 R C 1.976 178.313 176.300 0.062 0.000 0.957 217 R CA 0.929 57.099 56.100 0.117 0.000 1.024 217 R CB -0.463 29.900 30.300 0.106 0.000 0.952 217 R HN 0.050 nan 8.270 nan 0.000 0.484 218 A N 1.303 124.140 122.820 0.029 0.000 1.878 218 A HA -0.036 4.284 4.320 0.000 0.000 0.213 218 A C 2.060 179.630 177.584 -0.024 0.000 1.192 218 A CA 1.092 53.131 52.037 0.004 0.000 0.619 218 A CB -0.368 18.634 19.000 0.004 0.000 0.837 218 A HN 0.406 nan 8.150 nan 0.000 0.446 219 E N 0.042 120.229 120.200 -0.021 0.000 2.051 219 E HA -0.078 4.272 4.350 0.000 0.000 0.192 219 E C 1.565 178.110 176.600 -0.092 0.000 0.991 219 E CA 0.999 57.375 56.400 -0.040 0.000 0.799 219 E CB -0.232 29.457 29.700 -0.018 0.000 0.748 219 E HN 0.549 nan 8.360 nan 0.000 0.449 220 L N 0.947 122.098 121.223 -0.120 0.000 2.622 220 L HA 0.006 4.346 4.340 0.000 0.000 0.233 220 L C 0.261 176.854 176.870 -0.462 0.000 1.156 220 L CA 0.101 54.764 54.840 -0.296 0.000 0.866 220 L CB -0.371 41.502 42.059 -0.310 0.000 0.980 220 L HN 0.244 nan 8.230 nan 0.000 0.448 221 N N -0.662 117.890 118.700 -0.247 0.000 2.725 221 N HA -0.212 4.528 4.740 0.000 0.000 0.249 221 N C -0.305 175.094 175.510 -0.184 0.000 1.103 221 N CA 0.739 53.672 53.050 -0.195 0.000 0.707 221 N CB -0.944 37.427 38.487 -0.193 0.000 1.043 221 N HN 0.144 nan 8.380 nan 0.000 0.553 222 F N 0.263 120.191 119.950 -0.038 0.000 2.380 222 F HA 0.423 4.950 4.527 -0.000 0.000 0.321 222 F C 2.151 177.927 175.800 -0.039 0.000 1.103 222 F CA -0.004 57.967 58.000 -0.048 0.000 1.067 222 F CB 0.270 39.237 39.000 -0.055 0.000 1.265 222 F HN -0.068 nan 8.300 nan 0.000 0.517 223 G N 0.685 109.611 108.800 0.211 0.000 2.421 223 G HA2 0.263 4.223 3.960 0.000 0.000 0.216 223 G HA3 0.263 4.223 3.960 0.000 0.000 0.216 223 G C 0.011 174.946 174.900 0.058 0.000 1.171 223 G CA 1.121 46.272 45.100 0.085 0.000 0.775 223 G HN 0.895 nan 8.290 nan 0.000 0.543 224 A N -1.399 121.444 122.820 0.039 0.000 2.540 224 A HA 0.585 4.905 4.320 0.000 0.000 0.291 224 A C -0.728 176.850 177.584 -0.011 0.000 1.083 224 A CA -0.476 51.571 52.037 0.018 0.000 0.650 224 A CB 0.166 19.165 19.000 -0.002 0.000 1.292 224 A HN 0.760 nan 8.150 nan 0.000 0.435 225 I N -1.386 119.180 120.570 -0.007 0.000 2.834 225 I HA 0.697 4.867 4.170 0.000 0.000 0.305 225 I C 0.438 176.528 176.117 -0.046 0.000 1.008 225 I CA -0.406 60.879 61.300 -0.024 0.000 1.273 225 I CB 1.431 39.431 38.000 0.001 0.000 1.432 225 I HN 0.537 nan 8.210 nan 0.000 0.557 226 T N 4.192 118.710 114.554 -0.061 0.000 2.856 226 T HA 0.433 4.783 4.350 0.000 0.000 0.292 226 T C 0.501 175.182 174.700 -0.032 0.000 0.980 226 T CA -0.775 61.290 62.100 -0.058 0.000 1.091 226 T CB 0.434 69.254 68.868 -0.079 0.000 0.936 226 T HN 0.581 nan 8.240 nan 0.000 0.503 227 L N 3.667 124.875 121.223 -0.024 0.000 2.862 227 L HA 0.560 4.900 4.340 0.000 0.000 0.240 227 L C 0.610 177.475 176.870 -0.009 0.000 1.283 227 L CA -0.386 54.446 54.840 -0.013 0.000 1.117 227 L CB -0.749 41.304 42.059 -0.009 0.000 1.444 227 L HN 0.393 nan 8.230 nan 0.000 0.456 228 N N -0.324 118.369 118.700 -0.011 0.000 3.126 228 N HA 0.002 4.742 4.740 0.000 0.000 0.233 228 N C 0.251 175.756 175.510 -0.009 0.000 1.069 228 N CA 0.607 53.653 53.050 -0.006 0.000 1.071 228 N CB 1.671 40.157 38.487 -0.002 0.000 1.683 228 N HN 0.105 nan 8.380 nan 0.000 0.586 229 S N 2.396 118.093 115.700 -0.004 0.000 2.446 229 S HA 0.030 4.500 4.470 0.000 0.000 0.225 229 S C 1.771 176.370 174.600 -0.002 0.000 1.016 229 S CA 0.421 58.617 58.200 -0.007 0.000 0.943 229 S CB 0.041 63.239 63.200 -0.004 0.000 0.786 229 S HN 0.616 nan 8.310 nan 0.000 0.508 230 M N 1.301 120.904 119.600 0.006 0.000 2.388 230 M HA 0.105 4.585 4.480 0.000 0.000 0.265 230 M C 1.732 178.046 176.300 0.022 0.000 1.088 230 M CA 1.133 56.443 55.300 0.017 0.000 1.134 230 M CB -0.171 32.441 32.600 0.019 0.000 1.384 230 M HN 0.232 nan 8.290 nan 0.000 0.447 231 D N 0.353 120.762 120.400 0.014 0.000 2.149 231 D HA 0.013 4.653 4.640 0.000 0.000 0.206 231 D C 1.966 178.278 176.300 0.020 0.000 0.967 231 D CA 1.359 55.371 54.000 0.020 0.000 0.848 231 D CB 0.142 40.950 40.800 0.014 0.000 0.998 231 D HN 0.212 nan 8.370 nan 0.000 0.474 232 A N -0.446 122.371 122.820 -0.005 0.000 1.948 232 A HA -0.199 4.121 4.320 0.000 0.000 0.220 232 A C 2.257 179.837 177.584 -0.007 0.000 1.177 232 A CA 2.376 54.397 52.037 -0.027 0.000 0.636 232 A CB -0.985 17.981 19.000 -0.057 0.000 0.815 232 A HN 0.343 nan 8.150 nan 0.000 0.449 233 T N -1.380 113.176 114.554 0.004 0.000 2.809 233 T HA -0.027 4.323 4.350 0.000 0.000 0.260 233 T C 2.126 176.892 174.700 0.111 0.000 1.039 233 T CA 1.525 63.633 62.100 0.013 0.000 1.141 233 T CB -0.192 68.674 68.868 -0.003 0.000 0.869 233 T HN 0.379 nan 8.240 nan 0.000 0.437 234 S N 0.212 115.981 115.700 0.115 0.000 2.501 234 S HA 0.069 4.539 4.470 0.000 0.000 0.220 234 S C 0.740 175.400 174.600 0.100 0.000 0.997 234 S CA -0.057 58.223 58.200 0.132 0.000 0.919 234 S CB 0.007 63.259 63.200 0.087 0.000 0.778 234 S HN 0.459 nan 8.310 nan 0.000 0.523 235 E N 1.513 121.771 120.200 0.098 0.000 2.216 235 E HA 0.194 4.544 4.350 0.000 0.000 0.279 235 E C -0.388 176.311 176.600 0.166 0.000 0.997 235 E CA -0.371 56.086 56.400 0.096 0.000 0.817 235 E CB 0.629 30.374 29.700 0.076 0.000 1.096 235 E HN -0.037 nan 8.360 nan 0.000 0.393 236 R N 3.596 124.129 120.500 0.055 0.000 2.690 236 R HA 0.147 4.487 4.340 0.000 0.000 0.419 236 R C -0.125 176.020 176.300 -0.259 0.000 1.090 236 R CA -0.308 55.708 56.100 -0.141 0.000 1.064 236 R CB 0.244 30.397 30.300 -0.245 0.000 1.391 236 R HN 0.525 nan 8.270 nan 0.000 0.586 237 D N 0.696 121.082 120.400 -0.022 0.000 2.221 237 D HA -0.168 4.472 4.640 0.000 0.000 0.204 237 D C 1.601 177.885 176.300 -0.027 0.000 0.982 237 D CA 1.111 55.091 54.000 -0.033 0.000 0.857 237 D CB -0.060 40.770 40.800 0.050 0.000 0.934 237 D HN 0.326 nan 8.370 nan 0.000 0.475 238 F N 0.616 120.534 119.950 -0.054 0.000 2.234 238 F HA -0.123 4.404 4.527 0.000 0.000 0.299 238 F C 2.145 177.918 175.800 -0.046 0.000 1.087 238 F CA 0.735 58.698 58.000 -0.061 0.000 1.340 238 F CB -1.154 37.787 39.000 -0.098 0.000 1.031 238 F HN -0.057 nan 8.300 nan 0.000 0.500 239 V N -0.978 118.433 119.914 -0.839 0.000 2.725 239 V HA 0.259 4.379 4.120 0.000 0.000 0.247 239 V C 2.538 178.496 176.094 -0.227 0.000 1.058 239 V CA 0.811 62.823 62.300 -0.480 0.000 1.080 239 V CB -1.358 30.096 31.823 -0.616 0.000 0.713 239 V HN 0.392 nan 8.190 nan 0.000 0.465 240 A N 0.813 123.442 122.820 -0.318 0.000 1.933 240 A HA -0.186 4.134 4.320 0.000 0.000 0.218 240 A C 2.149 179.450 177.584 -0.472 0.000 1.175 240 A CA 1.975 53.767 52.037 -0.408 0.000 0.628 240 A CB -0.573 18.167 19.000 -0.432 0.000 0.814 240 A HN 0.662 nan 8.150 nan 0.000 0.444 241 E N -1.647 118.449 120.200 -0.174 0.000 2.152 241 E HA -0.117 4.233 4.350 0.000 0.000 0.192 241 E C 1.668 178.415 176.600 0.246 0.000 0.983 241 E CA 0.978 57.424 56.400 0.076 0.000 0.818 241 E CB -0.202 29.596 29.700 0.163 0.000 0.758 241 E HN 0.687 nan 8.360 nan 0.000 0.467 242 F N 1.196 121.166 119.950 0.034 0.000 2.259 242 F HA -0.056 4.471 4.527 0.000 0.000 0.298 242 F C 1.720 177.676 175.800 0.260 0.000 1.088 242 F CA 1.027 59.115 58.000 0.148 0.000 1.358 242 F CB 0.100 39.126 39.000 0.043 0.000 1.040 242 F HN -0.088 nan 8.300 nan 0.000 0.505 243 L N -1.636 119.659 121.223 0.120 0.000 2.179 243 L HA -0.133 4.207 4.340 0.000 0.000 0.208 243 L C 2.305 179.238 176.870 0.105 0.000 1.096 243 L CA 0.395 55.241 54.840 0.010 0.000 0.779 243 L CB -0.846 41.190 42.059 -0.039 0.000 0.922 243 L HN 0.053 nan 8.230 nan 0.000 0.443 244 F N 0.053 120.056 119.950 0.088 0.000 2.075 244 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 244 F C 2.411 178.244 175.800 0.056 0.000 1.113 244 F CA 1.076 59.122 58.000 0.076 0.000 1.218 244 F CB -1.172 37.886 39.000 0.097 0.000 0.984 244 F HN 0.179 nan 8.300 nan 0.000 0.472 245 W N 1.381 122.773 121.300 0.153 0.000 2.315 245 W HA -0.331 4.329 4.660 0.000 0.000 0.323 245 W C 2.724 179.202 176.519 -0.069 0.000 1.233 245 W CA 3.555 60.915 57.345 0.025 0.000 1.267 245 W CB -0.920 28.541 29.460 0.001 0.000 1.160 245 W HN -0.070 nan 8.180 nan 0.000 0.474 246 R N 0.716 120.925 120.500 -0.485 0.000 2.096 246 R HA -0.213 4.127 4.340 0.000 0.000 0.240 246 R C 2.237 178.229 176.300 -0.514 0.000 1.139 246 R CA 3.147 58.726 56.100 -0.868 0.000 0.952 246 R CB -2.197 27.798 30.300 -0.508 0.000 0.854 246 R HN 0.584 nan 8.270 nan 0.000 0.436 247 S N 0.224 115.787 115.700 -0.228 0.000 2.442 247 S HA -0.074 4.396 4.470 0.000 0.000 0.236 247 S C 1.978 176.443 174.600 -0.225 0.000 1.007 247 S CA 1.391 59.520 58.200 -0.117 0.000 0.965 247 S CB -0.158 63.111 63.200 0.116 0.000 0.773 247 S HN 0.395 nan 8.310 nan 0.000 0.504 248 L N 0.819 121.865 121.223 -0.295 0.000 2.249 248 L HA 0.305 4.645 4.340 0.000 0.000 0.207 248 L C 2.495 179.083 176.870 -0.471 0.000 1.090 248 L CA 0.828 55.447 54.840 -0.368 0.000 0.802 248 L CB -0.787 41.119 42.059 -0.255 0.000 0.947 248 L HN 0.534 nan 8.230 nan 0.000 0.453 249 C N -0.592 118.412 119.300 -0.493 0.000 2.450 249 C HA -0.086 4.374 4.460 0.000 0.000 0.279 249 C C 2.691 177.520 174.990 -0.268 0.000 1.335 249 C CA 0.555 59.353 59.018 -0.367 0.000 1.749 249 C CB -0.507 26.814 27.740 -0.698 0.000 1.963 249 C HN 0.532 nan 8.230 nan 0.000 0.501 250 M N -0.210 119.203 119.600 -0.313 0.000 2.236 250 M HA -0.053 4.427 4.480 0.000 0.000 0.266 250 M C 2.144 178.327 176.300 -0.195 0.000 1.070 250 M CA 1.438 56.610 55.300 -0.214 0.000 1.137 250 M CB -1.740 30.747 32.600 -0.188 0.000 1.378 250 M HN 0.368 nan 8.290 nan 0.000 0.426 251 T N -0.499 113.895 114.554 -0.267 0.000 2.759 251 T HA -0.181 4.169 4.350 0.000 0.000 0.269 251 T C 1.589 176.159 174.700 -0.215 0.000 1.042 251 T CA 1.503 63.440 62.100 -0.271 0.000 1.140 251 T CB -0.393 68.256 68.868 -0.365 0.000 0.864 251 T HN 0.508 nan 8.240 nan 0.000 0.455 252 H N 0.040 119.017 119.070 -0.156 0.000 2.333 252 H HA 0.160 4.716 4.556 -0.000 0.000 0.302 252 H C 2.109 177.328 175.328 -0.182 0.000 1.075 252 H CA 0.843 56.806 56.048 -0.142 0.000 1.348 252 H CB -0.030 29.653 29.762 -0.131 0.000 1.393 252 H HN 0.197 nan 8.280 nan 0.000 0.509 253 L N 0.471 121.660 121.223 -0.056 0.000 2.395 253 L HA -0.074 4.266 4.340 0.000 0.000 0.218 253 L C 2.210 179.011 176.870 -0.115 0.000 1.130 253 L CA 0.794 55.565 54.840 -0.116 0.000 0.826 253 L CB -0.151 41.846 42.059 -0.103 0.000 0.941 253 L HN 0.351 nan 8.230 nan 0.000 0.451 254 S N -0.737 114.901 115.700 -0.103 0.000 2.527 254 S HA -0.116 4.354 4.470 0.000 0.000 0.222 254 S C 1.957 176.506 174.600 -0.085 0.000 0.985 254 S CA 0.149 58.295 58.200 -0.089 0.000 0.921 254 S CB -0.093 63.051 63.200 -0.093 0.000 0.772 254 S HN 0.417 nan 8.310 nan 0.000 0.529 255 R N 0.549 120.995 120.500 -0.090 0.000 2.090 255 R HA 0.281 4.621 4.340 0.000 0.000 0.219 255 R C 2.397 178.640 176.300 -0.095 0.000 1.100 255 R CA 0.716 56.780 56.100 -0.060 0.000 0.991 255 R CB -0.300 29.995 30.300 -0.007 0.000 0.893 255 R HN 0.466 nan 8.270 nan 0.000 0.443 256 M N 0.359 119.806 119.600 -0.256 0.000 2.117 256 M HA -0.101 4.379 4.480 0.000 0.000 0.262 256 M C 1.954 178.217 176.300 -0.061 0.000 1.065 256 M CA 2.085 57.166 55.300 -0.364 0.000 1.114 256 M CB -0.053 32.247 32.600 -0.500 0.000 1.361 256 M HN 0.316 nan 8.290 nan 0.000 0.408 257 A N -0.669 122.109 122.820 -0.070 0.000 2.016 257 A HA -0.154 4.166 4.320 0.000 0.000 0.217 257 A C 1.765 179.318 177.584 -0.053 0.000 1.162 257 A CA 1.697 53.714 52.037 -0.033 0.000 0.662 257 A CB -0.549 18.428 19.000 -0.038 0.000 0.812 257 A HN 0.612 nan 8.150 nan 0.000 0.450 258 E N 0.483 120.641 120.200 -0.070 0.000 2.107 258 E HA -0.163 4.187 4.350 0.000 0.000 0.191 258 E C 1.442 177.940 176.600 -0.170 0.000 0.982 258 E CA 1.420 57.758 56.400 -0.104 0.000 0.809 258 E CB -0.181 29.467 29.700 -0.087 0.000 0.756 258 E HN 0.457 nan 8.360 nan 0.000 0.459 259 D N -0.436 119.887 120.400 -0.128 0.000 2.097 259 D HA -0.122 4.518 4.640 0.000 0.000 0.197 259 D C 1.722 177.708 176.300 -0.524 0.000 0.984 259 D CA 0.685 54.486 54.000 -0.331 0.000 0.826 259 D CB -0.030 40.850 40.800 0.135 0.000 0.973 259 D HN 0.188 nan 8.370 nan 0.000 0.460 260 L N 1.143 122.300 121.223 -0.111 0.000 2.056 260 L HA -0.087 4.253 4.340 0.000 0.000 0.207 260 L C 2.447 179.293 176.870 -0.041 0.000 1.078 260 L CA 1.105 55.957 54.840 0.019 0.000 0.749 260 L CB -1.104 41.053 42.059 0.164 0.000 0.901 260 L HN 0.194 nan 8.230 nan 0.000 0.433 261 I N -4.526 115.989 120.570 -0.092 0.000 2.830 261 I HA -0.169 4.001 4.170 0.000 0.000 0.263 261 I C 2.236 178.244 176.117 -0.181 0.000 1.230 261 I CA 1.015 62.259 61.300 -0.094 0.000 1.480 261 I CB -0.379 37.573 38.000 -0.080 0.000 1.095 261 I HN 0.091 nan 8.210 nan 0.000 0.455 262 L N -0.520 120.515 121.223 -0.315 0.000 2.162 262 L HA -0.007 4.333 4.340 0.000 0.000 0.205 262 L C 2.211 178.733 176.870 -0.580 0.000 1.086 262 L CA 1.043 55.564 54.840 -0.532 0.000 0.778 262 L CB -0.333 41.331 42.059 -0.659 0.000 0.928 262 L HN 0.128 nan 8.230 nan 0.000 0.446 263 Y N -2.382 117.724 120.300 -0.324 0.000 2.439 263 Y HA -0.127 4.423 4.550 -0.000 0.000 0.292 263 Y C 2.410 178.262 175.900 -0.080 0.000 1.130 263 Y CA -0.080 57.927 58.100 -0.156 0.000 1.254 263 Y CB -1.120 37.387 38.460 0.078 0.000 1.000 263 Y HN 0.192 nan 8.280 nan 0.000 0.554 264 C N 0.581 119.909 119.300 0.046 0.000 2.613 264 C HA 0.149 4.609 4.460 0.000 0.000 0.273 264 C C 0.923 175.910 174.990 -0.005 0.000 1.304 264 C CA 0.117 59.158 59.018 0.039 0.000 1.702 264 C CB -1.931 25.827 27.740 0.029 0.000 1.792 264 C HN 0.240 nan 8.230 nan 0.000 0.588 265 T N 0.723 115.239 114.554 -0.064 0.000 2.919 265 T HA 0.013 4.363 4.350 0.000 0.000 0.302 265 T C 1.264 175.982 174.700 0.031 0.000 1.031 265 T CA 0.136 62.205 62.100 -0.052 0.000 1.127 265 T CB 1.048 69.829 68.868 -0.145 0.000 0.952 265 T HN 0.456 nan 8.240 nan 0.000 0.540 266 K N 1.524 121.943 120.400 0.031 0.000 2.152 266 K HA -0.170 4.150 4.320 0.000 0.000 0.206 266 K C 1.728 178.373 176.600 0.074 0.000 1.048 266 K CA 1.409 57.726 56.287 0.050 0.000 0.933 266 K CB 0.098 32.619 32.500 0.035 0.000 0.721 266 K HN 0.481 nan 8.250 nan 0.000 0.447 267 E N -0.341 119.912 120.200 0.088 0.000 2.051 267 E HA -0.137 4.213 4.350 0.000 0.000 0.192 267 E C 1.587 178.283 176.600 0.160 0.000 0.991 267 E CA 1.345 57.819 56.400 0.123 0.000 0.799 267 E CB -0.119 29.671 29.700 0.149 0.000 0.748 267 E HN 0.205 nan 8.360 nan 0.000 0.449 268 F N 0.100 119.969 119.950 -0.135 0.000 2.123 268 F HA 0.085 4.612 4.527 -0.000 0.000 0.289 268 F C 1.428 177.112 175.800 -0.194 0.000 1.099 268 F CA 1.151 58.959 58.000 -0.319 0.000 1.234 268 F CB -0.407 38.275 39.000 -0.530 0.000 1.034 268 F HN -0.211 nan 8.300 nan 0.000 0.479 269 S N -0.623 115.160 115.700 0.137 0.000 3.682 269 S HA -0.204 4.266 4.470 0.000 0.000 0.354 269 S C 0.890 175.681 174.600 0.320 0.000 1.034 269 S CA 0.124 58.434 58.200 0.182 0.000 1.084 269 S CB -1.670 61.632 63.200 0.170 0.000 0.903 269 S HN 0.193 nan 8.310 nan 0.000 0.470 270 F N 0.652 120.694 119.950 0.154 0.000 2.094 270 F HA 0.212 4.739 4.527 0.000 0.000 0.291 270 F C 1.619 177.374 175.800 -0.074 0.000 1.109 270 F CA 1.272 59.279 58.000 0.012 0.000 1.221 270 F CB -0.888 38.079 39.000 -0.055 0.000 1.014 270 F HN 0.464 nan 8.300 nan 0.000 0.473 271 V N -0.966 119.055 119.914 0.179 0.000 2.667 271 V HA 0.619 4.739 4.120 0.000 0.000 0.308 271 V C -0.859 175.270 176.094 0.059 0.000 1.048 271 V CA -0.898 61.431 62.300 0.048 0.000 0.928 271 V CB 1.648 33.528 31.823 0.095 0.000 1.004 271 V HN 0.177 nan 8.190 nan 0.000 0.444 272 Q N 2.858 122.661 119.800 0.005 0.000 2.333 272 Q HA 0.639 4.979 4.340 0.000 0.000 0.267 272 Q C -0.922 175.091 176.000 0.021 0.000 1.012 272 Q CA -0.595 55.206 55.803 -0.004 0.000 0.824 272 Q CB 2.683 31.374 28.738 -0.078 0.000 1.290 272 Q HN 0.770 nan 8.270 nan 0.000 0.449 273 L N 0.836 122.085 121.223 0.043 0.000 2.453 273 L HA 0.214 4.554 4.340 0.000 0.000 0.261 273 L C 0.477 177.390 176.870 0.073 0.000 1.179 273 L CA -0.057 54.827 54.840 0.073 0.000 0.813 273 L CB 1.171 43.280 42.059 0.084 0.000 1.110 273 L HN 0.562 nan 8.230 nan 0.000 0.466 274 S N 0.315 116.087 115.700 0.120 0.000 2.549 274 S HA 0.008 4.478 4.470 0.000 0.000 0.279 274 S C 0.498 175.154 174.600 0.093 0.000 1.321 274 S CA -0.645 57.629 58.200 0.124 0.000 1.054 274 S CB 0.317 63.651 63.200 0.224 0.000 0.899 274 S HN 0.556 nan 8.310 nan 0.000 0.497 275 D N 3.847 124.276 120.400 0.048 0.000 2.355 275 D HA 0.169 4.809 4.640 0.000 0.000 0.253 275 D C 1.076 177.370 176.300 -0.010 0.000 1.187 275 D CA 0.365 54.376 54.000 0.019 0.000 0.900 275 D CB 0.190 40.994 40.800 0.007 0.000 0.915 275 D HN 0.565 nan 8.370 nan 0.000 0.516 276 A N -0.789 122.019 122.820 -0.019 0.000 2.026 276 A HA 0.041 4.361 4.320 0.000 0.000 0.198 276 A C 0.941 178.344 177.584 -0.302 0.000 1.390 276 A CA -0.097 51.854 52.037 -0.143 0.000 0.915 276 A CB 0.052 18.973 19.000 -0.132 0.000 0.974 276 A HN 0.123 nan 8.150 nan 0.000 0.477 277 Y N 0.648 120.960 120.300 0.021 0.000 2.645 277 Y HA 0.516 5.066 4.550 -0.000 0.000 0.307 277 Y C 0.689 176.601 175.900 0.021 0.000 1.151 277 Y CA 0.099 58.214 58.100 0.024 0.000 1.291 277 Y CB 0.387 38.867 38.460 0.033 0.000 1.135 277 Y HN 0.172 nan 8.280 nan 0.000 0.523 278 S N -0.825 114.909 115.700 0.057 0.000 2.549 278 S HA 0.481 4.951 4.470 0.000 0.000 0.280 278 S C -0.253 174.353 174.600 0.011 0.000 1.109 278 S CA -0.552 57.676 58.200 0.047 0.000 0.905 278 S CB 1.167 64.397 63.200 0.049 0.000 1.081 278 S HN 0.032 nan 8.310 nan 0.000 0.477 279 T N 2.338 116.899 114.554 0.012 0.000 2.897 279 T HA 0.435 4.785 4.350 0.000 0.000 0.294 279 T C 0.740 175.440 174.700 0.000 0.000 1.004 279 T CA -0.048 62.053 62.100 0.002 0.000 1.106 279 T CB 0.710 69.581 68.868 0.004 0.000 0.949 279 T HN 0.785 nan 8.240 nan 0.000 0.520 280 G N 1.924 110.722 108.800 -0.004 0.000 2.202 280 G HA2 0.287 4.247 3.960 0.000 0.000 0.251 280 G HA3 0.287 4.247 3.960 0.000 0.000 0.251 280 G C -0.029 174.871 174.900 -0.001 0.000 1.219 280 G CA -0.159 44.938 45.100 -0.004 0.000 0.943 280 G HN 0.615 nan 8.290 nan 0.000 0.465 281 S N 1.766 117.466 115.700 0.000 0.000 2.596 281 S HA 0.706 5.176 4.470 0.000 0.000 0.318 281 S C 0.121 174.722 174.600 0.001 0.000 1.097 281 S CA -0.633 57.568 58.200 0.001 0.000 1.080 281 S CB 1.061 64.263 63.200 0.003 0.000 0.991 281 S HN 0.604 nan 8.310 nan 0.000 0.471 282 S N 3.723 119.424 115.700 0.001 0.000 2.726 282 S HA 0.634 5.104 4.470 0.000 0.000 0.308 282 S C 0.733 175.334 174.600 0.002 0.000 1.115 282 S CA -0.946 57.255 58.200 0.001 0.000 0.965 282 S CB 1.061 64.261 63.200 0.000 0.000 1.145 282 S HN 0.914 nan 8.310 nan 0.000 0.532 283 L N -1.082 120.143 121.223 0.002 0.000 4.999 283 L HA -0.255 4.085 4.340 0.000 0.000 0.449 283 L C 0.265 177.138 176.870 0.004 0.000 1.079 283 L CA 1.527 56.368 54.840 0.003 0.000 0.950 283 L CB -1.574 40.487 42.059 0.003 0.000 1.809 283 L HN 0.825 nan 8.230 nan 0.000 0.855 284 M N -5.500 114.103 119.600 0.004 0.000 4.445 284 M HA 0.355 4.835 4.480 0.000 0.000 0.516 284 M C -2.429 173.875 176.300 0.006 0.000 2.177 284 M CA -1.214 54.089 55.300 0.006 0.000 0.440 284 M CB 0.689 33.293 32.600 0.006 0.000 1.599 284 M HN -0.344 nan 8.290 nan 0.000 0.571 285 P HA -0.122 nan 4.420 nan 0.000 0.229 285 P C 1.171 178.475 177.300 0.007 0.000 1.150 285 P CA 1.123 64.226 63.100 0.005 0.000 0.765 285 P CB 0.075 31.777 31.700 0.004 0.000 0.783 286 Q N -0.662 119.144 119.800 0.010 0.000 2.364 286 Q HA -0.075 4.265 4.340 0.000 0.000 0.207 286 Q C 0.935 176.943 176.000 0.014 0.000 0.970 286 Q CA 0.921 56.732 55.803 0.014 0.000 0.888 286 Q CB -0.295 28.453 28.738 0.017 0.000 0.951 286 Q HN 0.359 nan 8.270 nan 0.000 0.469 287 K N 1.901 122.307 120.400 0.010 0.000 2.307 287 K HA 0.087 4.407 4.320 0.000 0.000 0.240 287 K C -0.454 176.151 176.600 0.008 0.000 1.214 287 K CA -0.056 56.237 56.287 0.009 0.000 1.149 287 K CB -0.000 32.504 32.500 0.007 0.000 1.668 287 K HN -0.061 nan 8.250 nan 0.000 0.314 288 K N 2.075 122.480 120.400 0.010 0.000 2.034 288 K HA -0.022 4.298 4.320 0.000 0.000 0.225 288 K C -0.005 176.603 176.600 0.013 0.000 1.190 288 K CA -0.018 56.276 56.287 0.011 0.000 1.152 288 K CB -0.238 32.267 32.500 0.010 0.000 1.300 288 K HN 0.322 nan 8.250 nan 0.000 0.268 289 N N 3.587 122.293 118.700 0.010 0.000 2.429 289 N HA 0.024 4.764 4.740 0.000 0.000 0.271 289 N C -2.465 173.055 175.510 0.016 0.000 1.272 289 N CA -1.094 51.962 53.050 0.009 0.000 0.921 289 N CB 0.649 39.139 38.487 0.005 0.000 1.128 289 N HN 0.130 nan 8.380 nan 0.000 0.481 290 P HA 0.151 nan 4.420 nan 0.000 0.272 290 P C -0.286 177.029 177.300 0.024 0.000 1.240 290 P CA 0.089 63.206 63.100 0.028 0.000 0.791 290 P CB 0.902 32.612 31.700 0.016 0.000 0.978 291 D N -2.043 118.379 120.400 0.037 0.000 1.825 291 D HA -0.055 4.585 4.640 0.000 0.000 0.468 291 D C 1.526 177.854 176.300 0.047 0.000 1.150 291 D CA 0.229 54.248 54.000 0.032 0.000 1.197 291 D CB -0.523 40.293 40.800 0.028 0.000 2.044 291 D HN 0.115 nan 8.370 nan 0.000 0.452 292 S N 0.362 116.111 115.700 0.082 0.000 2.370 292 S HA -0.097 4.373 4.470 0.000 0.000 0.226 292 S C 1.725 176.368 174.600 0.071 0.000 1.033 292 S CA 0.842 59.110 58.200 0.113 0.000 1.011 292 S CB -0.191 63.145 63.200 0.227 0.000 0.852 292 S HN 0.291 nan 8.310 nan 0.000 0.457 293 L N 0.730 121.987 121.223 0.057 0.000 2.660 293 L HA 0.165 4.505 4.340 0.000 0.000 0.238 293 L C 1.899 178.773 176.870 0.006 0.000 1.161 293 L CA 0.456 55.313 54.840 0.028 0.000 0.937 293 L CB -0.195 41.884 42.059 0.033 0.000 1.122 293 L HN 0.286 nan 8.230 nan 0.000 0.435 294 E N -0.621 119.585 120.200 0.010 0.000 2.367 294 E HA -0.026 4.324 4.350 0.000 0.000 0.204 294 E C 1.857 178.457 176.600 -0.000 0.000 0.840 294 E CA 0.198 56.596 56.400 -0.003 0.000 1.051 294 E CB 0.221 29.920 29.700 -0.002 0.000 1.051 294 E HN 0.353 nan 8.360 nan 0.000 0.509 295 L N 0.381 121.611 121.223 0.013 0.000 2.141 295 L HA 0.001 4.341 4.340 0.000 0.000 0.209 295 L C 1.864 178.737 176.870 0.005 0.000 1.094 295 L CA 1.562 56.410 54.840 0.014 0.000 0.763 295 L CB -0.384 41.691 42.059 0.027 0.000 0.908 295 L HN 0.020 nan 8.230 nan 0.000 0.437 296 I N -0.276 120.296 120.570 0.002 0.000 2.315 296 I HA -0.186 3.984 4.170 0.000 0.000 0.248 296 I C 2.856 178.954 176.117 -0.032 0.000 1.117 296 I CA 1.372 62.663 61.300 -0.015 0.000 1.404 296 I CB -0.323 37.666 38.000 -0.017 0.000 1.071 296 I HN 0.351 nan 8.210 nan 0.000 0.419 297 R N 0.913 121.395 120.500 -0.030 0.000 2.119 297 R HA -0.114 4.226 4.340 0.000 0.000 0.222 297 R C 2.537 178.817 176.300 -0.033 0.000 1.088 297 R CA 1.413 57.488 56.100 -0.041 0.000 0.984 297 R CB -0.003 30.272 30.300 -0.042 0.000 0.884 297 R HN 0.420 nan 8.270 nan 0.000 0.447 298 S N 0.768 116.456 115.700 -0.020 0.000 2.368 298 S HA -0.096 4.374 4.470 0.000 0.000 0.225 298 S C 1.628 176.223 174.600 -0.009 0.000 1.030 298 S CA 0.715 58.908 58.200 -0.011 0.000 0.999 298 S CB -0.128 63.071 63.200 -0.003 0.000 0.844 298 S HN 0.188 nan 8.310 nan 0.000 0.459 299 K N 2.239 122.632 120.400 -0.012 0.000 2.281 299 K HA 0.087 4.407 4.320 0.000 0.000 0.203 299 K C 2.355 178.945 176.600 -0.016 0.000 1.046 299 K CA 1.076 57.356 56.287 -0.012 0.000 0.938 299 K CB -1.322 31.166 32.500 -0.020 0.000 0.737 299 K HN 0.536 nan 8.250 nan 0.000 0.458 300 A N 1.114 123.914 122.820 -0.033 0.000 1.929 300 A HA -0.203 4.117 4.320 0.000 0.000 0.221 300 A C 2.430 180.025 177.584 0.018 0.000 1.211 300 A CA 2.487 54.496 52.037 -0.047 0.000 0.657 300 A CB -1.071 17.886 19.000 -0.072 0.000 0.827 300 A HN 0.435 nan 8.150 nan 0.000 0.462 301 G N -2.322 106.513 108.800 0.059 0.000 2.796 301 G HA2 0.053 4.013 3.960 0.000 0.000 0.210 301 G HA3 0.053 4.013 3.960 0.000 0.000 0.210 301 G C 1.524 176.495 174.900 0.120 0.000 1.146 301 G CA 0.615 45.819 45.100 0.173 0.000 0.779 301 G HN 0.506 nan 8.290 nan 0.000 0.535 302 R N 0.047 120.580 120.500 0.055 0.000 2.153 302 R HA 0.071 4.411 4.340 0.000 0.000 0.218 302 R C 2.104 178.416 176.300 0.021 0.000 1.072 302 R CA 0.724 56.840 56.100 0.027 0.000 0.990 302 R CB 0.057 30.367 30.300 0.017 0.000 0.889 302 R HN 0.269 nan 8.270 nan 0.000 0.452 303 V N 0.252 120.184 119.914 0.030 0.000 2.446 303 V HA -0.147 3.973 4.120 0.000 0.000 0.244 303 V C 1.813 177.940 176.094 0.055 0.000 1.039 303 V CA 1.148 63.454 62.300 0.010 0.000 1.045 303 V CB -0.552 31.249 31.823 -0.038 0.000 0.681 303 V HN 0.267 nan 8.190 nan 0.000 0.459 304 F N 2.558 122.470 119.950 -0.063 0.000 2.234 304 F HA 0.061 4.588 4.527 -0.000 0.000 0.299 304 F C 2.075 177.859 175.800 -0.026 0.000 1.087 304 F CA 1.165 59.138 58.000 -0.045 0.000 1.340 304 F CB -0.896 38.075 39.000 -0.049 0.000 1.031 304 F HN 0.118 nan 8.300 nan 0.000 0.500 305 G N 0.395 109.097 108.800 -0.164 0.000 2.491 305 G HA2 -0.355 3.605 3.960 0.000 0.000 0.218 305 G HA3 -0.355 3.605 3.960 0.000 0.000 0.218 305 G C 1.790 176.541 174.900 -0.248 0.000 1.180 305 G CA 0.963 45.904 45.100 -0.265 0.000 0.774 305 G HN 0.266 nan 8.290 nan 0.000 0.562 306 R N -0.274 120.143 120.500 -0.138 0.000 2.096 306 R HA -0.012 4.328 4.340 0.000 0.000 0.235 306 R C 2.556 178.774 176.300 -0.137 0.000 1.127 306 R CA 1.133 57.167 56.100 -0.109 0.000 0.968 306 R CB -1.350 28.921 30.300 -0.049 0.000 0.861 306 R HN 0.420 nan 8.270 nan 0.000 0.440 307 C N -0.649 118.565 119.300 -0.143 0.000 2.453 307 C HA 0.117 4.577 4.460 0.000 0.000 0.277 307 C C 2.594 177.471 174.990 -0.188 0.000 1.262 307 C CA 0.866 59.811 59.018 -0.123 0.000 1.718 307 C CB -1.140 26.607 27.740 0.012 0.000 2.031 307 C HN 0.580 nan 8.230 nan 0.000 0.480 308 A N -0.137 122.450 122.820 -0.389 0.000 2.131 308 A HA 0.109 4.429 4.320 0.000 0.000 0.220 308 A C 2.220 179.665 177.584 -0.233 0.000 1.158 308 A CA 2.067 53.855 52.037 -0.416 0.000 0.665 308 A CB -0.957 17.578 19.000 -0.773 0.000 0.795 308 A HN 0.722 nan 8.150 nan 0.000 0.460 309 G N -1.009 107.671 108.800 -0.200 0.000 2.497 309 G HA2 0.035 3.995 3.960 0.000 0.000 0.210 309 G HA3 0.035 3.995 3.960 0.000 0.000 0.210 309 G C 1.381 176.210 174.900 -0.117 0.000 1.177 309 G CA 0.483 45.499 45.100 -0.140 0.000 0.822 309 G HN 0.311 nan 8.290 nan 0.000 0.550 310 L N 0.132 121.280 121.223 -0.125 0.000 2.197 310 L HA -0.009 4.331 4.340 0.000 0.000 0.215 310 L C 2.554 179.348 176.870 -0.126 0.000 1.095 310 L CA 1.464 56.228 54.840 -0.127 0.000 0.764 310 L CB -0.337 41.635 42.059 -0.145 0.000 0.897 310 L HN 0.201 nan 8.230 nan 0.000 0.436 311 L N -1.248 119.905 121.223 -0.117 0.000 2.209 311 L HA -0.097 4.243 4.340 0.000 0.000 0.207 311 L C 2.486 179.321 176.870 -0.059 0.000 1.094 311 L CA 1.020 55.809 54.840 -0.085 0.000 0.790 311 L CB -0.139 41.894 42.059 -0.043 0.000 0.932 311 L HN 0.196 nan 8.230 nan 0.000 0.447 312 M N -1.693 117.868 119.600 -0.065 0.000 2.288 312 M HA -0.142 4.338 4.480 0.000 0.000 0.266 312 M C 1.894 178.158 176.300 -0.060 0.000 1.072 312 M CA 1.341 56.609 55.300 -0.054 0.000 1.132 312 M CB -0.023 32.543 32.600 -0.058 0.000 1.386 312 M HN 0.169 nan 8.290 nan 0.000 0.432 313 T N 2.232 116.742 114.554 -0.073 0.000 2.803 313 T HA -0.069 4.281 4.350 0.000 0.000 0.269 313 T C 1.164 175.821 174.700 -0.072 0.000 1.052 313 T CA 1.045 63.099 62.100 -0.076 0.000 1.136 313 T CB -0.265 68.551 68.868 -0.086 0.000 0.864 313 T HN 0.434 nan 8.240 nan 0.000 0.467 314 L N 0.206 121.389 121.223 -0.068 0.000 3.096 314 L HA 0.506 4.846 4.340 0.000 0.000 0.247 314 L C 1.201 178.046 176.870 -0.042 0.000 1.321 314 L CA -0.145 54.660 54.840 -0.058 0.000 1.044 314 L CB -0.441 41.582 42.059 -0.060 0.000 1.434 314 L HN 0.041 nan 8.230 nan 0.000 0.533 315 K N 2.050 122.428 120.400 -0.038 0.000 2.280 315 K HA -0.016 4.304 4.320 0.000 0.000 0.202 315 K C 0.610 177.199 176.600 -0.018 0.000 1.047 315 K CA 1.318 57.591 56.287 -0.024 0.000 0.942 315 K CB 0.306 32.792 32.500 -0.023 0.000 0.739 315 K HN 0.663 nan 8.250 nan 0.000 0.457 316 G N 1.376 110.161 108.800 -0.024 0.000 4.144 316 G HA2 0.204 4.164 3.960 0.000 0.000 0.261 316 G HA3 0.204 4.164 3.960 0.000 0.000 0.261 316 G C -1.095 173.789 174.900 -0.025 0.000 3.644 316 G CA -0.718 44.371 45.100 -0.019 0.000 0.583 316 G HN 0.038 nan 8.290 nan 0.000 0.247 317 L N 2.588 123.794 121.223 -0.029 0.000 2.281 317 L HA 0.321 4.661 4.340 0.000 0.000 0.285 317 L C -0.050 176.804 176.870 -0.027 0.000 1.074 317 L CA -1.708 53.110 54.840 -0.037 0.000 0.817 317 L CB 1.195 43.224 42.059 -0.050 0.000 1.168 317 L HN 0.273 nan 8.230 nan 0.000 0.434 318 P HA -0.172 nan 4.420 nan 0.000 0.203 318 P C 0.527 177.821 177.300 -0.010 0.000 1.087 318 P CA 1.285 64.374 63.100 -0.018 0.000 0.952 318 P CB 0.092 31.779 31.700 -0.021 0.000 0.758 319 S N -2.205 113.490 115.700 -0.010 0.000 2.855 319 S HA 0.342 4.812 4.470 0.000 0.000 0.308 319 S C -0.254 174.358 174.600 0.019 0.000 1.077 319 S CA -0.633 57.570 58.200 0.005 0.000 0.896 319 S CB 0.165 63.370 63.200 0.009 0.000 1.339 319 S HN 0.141 nan 8.310 nan 0.000 0.602 320 T N 2.150 116.727 114.554 0.039 0.000 2.866 320 T HA 0.092 4.442 4.350 0.000 0.000 0.293 320 T C -0.379 174.400 174.700 0.132 0.000 1.005 320 T CA 0.929 63.075 62.100 0.077 0.000 1.162 320 T CB -1.200 67.709 68.868 0.068 0.000 0.968 320 T HN 0.833 nan 8.240 nan 0.000 0.530 321 Y N 3.463 123.759 120.300 -0.007 0.000 2.783 321 Y HA -0.301 4.249 4.550 0.000 0.000 0.143 321 Y C 0.078 175.970 175.900 -0.013 0.000 1.735 321 Y CA 0.155 58.249 58.100 -0.009 0.000 1.154 321 Y CB -1.122 37.332 38.460 -0.009 0.000 1.768 321 Y HN 0.706 nan 8.280 nan 0.000 0.305 322 N N 4.237 122.684 118.700 -0.422 0.000 2.482 322 N HA 0.162 4.902 4.740 0.000 0.000 0.279 322 N C 0.900 175.978 175.510 -0.720 0.000 1.182 322 N CA -0.428 52.377 53.050 -0.409 0.000 0.969 322 N CB 1.482 39.842 38.487 -0.211 0.000 1.201 322 N HN 0.469 nan 8.380 nan 0.000 0.523 323 K N 0.934 121.053 120.400 -0.468 0.000 2.217 323 K HA -0.075 4.245 4.320 0.000 0.000 0.202 323 K C 0.530 176.961 176.600 -0.281 0.000 1.051 323 K CA 1.191 57.240 56.287 -0.395 0.000 0.952 323 K CB -0.107 32.276 32.500 -0.195 0.000 0.736 323 K HN 0.437 nan 8.250 nan 0.000 0.453 324 D N 0.254 120.513 120.400 -0.234 0.000 2.191 324 D HA -0.223 4.417 4.640 0.000 0.000 0.190 324 D C 1.135 177.352 176.300 -0.139 0.000 1.007 324 D CA 1.517 55.420 54.000 -0.163 0.000 0.865 324 D CB -0.216 40.500 40.800 -0.141 0.000 0.929 324 D HN 0.104 nan 8.370 nan 0.000 0.447 325 L N 0.866 121.991 121.223 -0.163 0.000 2.661 325 L HA -0.140 4.200 4.340 0.000 0.000 0.236 325 L C 1.874 178.734 176.870 -0.016 0.000 1.176 325 L CA 1.075 55.865 54.840 -0.083 0.000 0.836 325 L CB -0.703 41.329 42.059 -0.045 0.000 0.960 325 L HN 0.085 nan 8.230 nan 0.000 0.455 326 Q N -0.362 119.426 119.800 -0.020 0.000 2.541 326 Q HA -0.182 4.158 4.340 0.000 0.000 0.215 326 Q C 1.724 177.738 176.000 0.024 0.000 0.977 326 Q CA 0.502 56.337 55.803 0.053 0.000 0.934 326 Q CB 0.077 28.860 28.738 0.075 0.000 0.988 326 Q HN 0.531 nan 8.270 nan 0.000 0.521 327 E N 0.971 121.153 120.200 -0.030 0.000 2.358 327 E HA -0.125 4.225 4.350 0.000 0.000 0.195 327 E C 1.273 177.836 176.600 -0.061 0.000 1.010 327 E CA 0.753 57.115 56.400 -0.064 0.000 0.856 327 E CB 0.158 29.810 29.700 -0.080 0.000 0.795 327 E HN 0.387 nan 8.360 nan 0.000 0.504 328 D N 0.451 120.826 120.400 -0.042 0.000 2.182 328 D HA -0.231 4.409 4.640 0.000 0.000 0.201 328 D C 1.316 177.577 176.300 -0.065 0.000 0.986 328 D CA 1.180 55.134 54.000 -0.076 0.000 0.847 328 D CB -0.102 40.661 40.800 -0.062 0.000 0.942 328 D HN 0.146 nan 8.370 nan 0.000 0.467 329 K N 0.414 120.820 120.400 0.009 0.000 1.991 329 K HA -0.006 4.314 4.320 0.000 0.000 0.208 329 K C 2.367 179.089 176.600 0.203 0.000 1.038 329 K CA 0.883 57.211 56.287 0.068 0.000 0.943 329 K CB -0.065 32.650 32.500 0.358 0.000 0.736 329 K HN 0.050 nan 8.250 nan 0.000 0.440 330 E N 0.620 120.864 120.200 0.074 0.000 2.147 330 E HA -0.278 4.072 4.350 0.000 0.000 0.199 330 E C 1.940 178.615 176.600 0.125 0.000 1.005 330 E CA 1.376 57.794 56.400 0.030 0.000 0.810 330 E CB -0.164 29.365 29.700 -0.285 0.000 0.736 330 E HN 0.365 nan 8.360 nan 0.000 0.460 331 A N 0.650 123.496 122.820 0.044 0.000 1.872 331 A HA -0.100 4.220 4.320 0.000 0.000 0.214 331 A C 2.356 180.003 177.584 0.105 0.000 1.187 331 A CA 1.153 53.216 52.037 0.043 0.000 0.614 331 A CB -0.538 18.449 19.000 -0.021 0.000 0.826 331 A HN 0.222 nan 8.150 nan 0.000 0.442 332 V N -1.340 118.620 119.914 0.076 0.000 3.217 332 V HA -0.042 4.078 4.120 0.000 0.000 0.264 332 V C 1.901 178.144 176.094 0.248 0.000 1.135 332 V CA 1.241 63.634 62.300 0.156 0.000 1.142 332 V CB -0.790 31.049 31.823 0.027 0.000 0.754 332 V HN 0.469 nan 8.190 nan 0.000 0.484 333 F N 0.523 120.609 119.950 0.227 0.000 2.293 333 F HA 0.059 4.586 4.527 -0.000 0.000 0.297 333 F C 2.389 178.315 175.800 0.211 0.000 1.089 333 F CA 1.689 59.847 58.000 0.263 0.000 1.377 333 F CB -0.197 38.937 39.000 0.224 0.000 1.051 333 F HN 0.239 nan 8.300 nan 0.000 0.511 334 E N -0.092 120.307 120.200 0.332 0.000 2.086 334 E HA -0.084 4.266 4.350 0.000 0.000 0.190 334 E C 2.238 178.943 176.600 0.175 0.000 0.975 334 E CA 0.768 57.294 56.400 0.210 0.000 0.813 334 E CB 0.092 29.873 29.700 0.135 0.000 0.768 334 E HN 0.129 nan 8.360 nan 0.000 0.457 335 V N 1.344 121.361 119.914 0.171 0.000 2.515 335 V HA -0.208 3.912 4.120 0.000 0.000 0.250 335 V C 2.444 178.639 176.094 0.169 0.000 1.058 335 V CA 1.843 64.214 62.300 0.120 0.000 1.064 335 V CB -0.271 31.600 31.823 0.080 0.000 0.675 335 V HN 0.347 nan 8.190 nan 0.000 0.461 336 S N -0.216 115.671 115.700 0.312 0.000 2.414 336 S HA -0.169 4.301 4.470 0.000 0.000 0.227 336 S C 1.667 176.412 174.600 0.241 0.000 1.022 336 S CA 1.302 59.719 58.200 0.362 0.000 0.958 336 S CB -0.362 63.122 63.200 0.474 0.000 0.797 336 S HN 0.563 nan 8.310 nan 0.000 0.493 337 D N 1.154 121.691 120.400 0.229 0.000 2.277 337 D HA 0.034 4.674 4.640 0.000 0.000 0.208 337 D C 1.700 178.071 176.300 0.119 0.000 0.962 337 D CA 1.234 55.335 54.000 0.169 0.000 0.865 337 D CB -0.122 40.781 40.800 0.172 0.000 0.939 337 D HN 0.453 nan 8.370 nan 0.000 0.510 338 T N -0.110 114.508 114.554 0.107 0.000 2.809 338 T HA -0.058 4.292 4.350 0.000 0.000 0.260 338 T C 1.853 176.583 174.700 0.049 0.000 1.039 338 T CA 0.559 62.698 62.100 0.065 0.000 1.141 338 T CB -0.006 68.888 68.868 0.044 0.000 0.869 338 T HN 0.096 nan 8.240 nan 0.000 0.437 339 M N 2.182 121.815 119.600 0.054 0.000 2.067 339 M HA -0.066 4.414 4.480 0.000 0.000 0.260 339 M C 2.819 179.167 176.300 0.080 0.000 1.069 339 M CA 1.738 57.063 55.300 0.042 0.000 1.117 339 M CB -1.629 31.012 32.600 0.068 0.000 1.334 339 M HN 0.416 nan 8.290 nan 0.000 0.407 340 S N 0.390 116.155 115.700 0.109 0.000 2.399 340 S HA -0.066 4.404 4.470 0.000 0.000 0.231 340 S C 2.050 176.690 174.600 0.066 0.000 1.022 340 S CA 1.342 59.594 58.200 0.086 0.000 0.983 340 S CB -0.540 62.703 63.200 0.072 0.000 0.803 340 S HN 0.425 nan 8.310 nan 0.000 0.480 341 A N 1.262 124.121 122.820 0.065 0.000 1.874 341 A HA 0.232 4.552 4.320 0.000 0.000 0.214 341 A C 2.413 180.029 177.584 0.052 0.000 1.189 341 A CA 1.174 53.247 52.037 0.060 0.000 0.615 341 A CB -1.008 18.030 19.000 0.063 0.000 0.830 341 A HN 0.431 nan 8.150 nan 0.000 0.443 342 V N 0.439 120.376 119.914 0.039 0.000 2.332 342 V HA -0.261 3.859 4.120 0.000 0.000 0.248 342 V C 2.538 178.642 176.094 0.015 0.000 1.055 342 V CA 1.919 64.233 62.300 0.023 0.000 1.038 342 V CB -0.760 31.061 31.823 -0.003 0.000 0.651 342 V HN 0.561 nan 8.190 nan 0.000 0.450 343 L N -0.534 120.699 121.223 0.017 0.000 2.187 343 L HA -0.245 4.095 4.340 0.000 0.000 0.213 343 L C 2.658 179.541 176.870 0.020 0.000 1.100 343 L CA 1.517 56.366 54.840 0.016 0.000 0.765 343 L CB -0.485 41.597 42.059 0.039 0.000 0.904 343 L HN 0.449 nan 8.230 nan 0.000 0.437 344 Q N -0.976 118.845 119.800 0.035 0.000 2.123 344 Q HA -0.125 4.215 4.340 0.000 0.000 0.199 344 Q C 2.327 178.344 176.000 0.029 0.000 0.966 344 Q CA 1.078 56.905 55.803 0.040 0.000 0.845 344 Q CB -0.023 28.750 28.738 0.059 0.000 0.907 344 Q HN 0.355 nan 8.270 nan 0.000 0.439 345 V N 1.049 120.990 119.914 0.045 0.000 2.515 345 V HA -0.220 3.900 4.120 0.000 0.000 0.250 345 V C 2.183 178.231 176.094 -0.077 0.000 1.058 345 V CA 1.678 64.006 62.300 0.046 0.000 1.064 345 V CB -0.735 31.160 31.823 0.120 0.000 0.675 345 V HN 0.351 nan 8.190 nan 0.000 0.461 346 A N -0.207 122.584 122.820 -0.047 0.000 1.929 346 A HA -0.157 4.163 4.320 0.000 0.000 0.216 346 A C 2.384 179.921 177.584 -0.079 0.000 1.176 346 A CA 2.185 54.185 52.037 -0.063 0.000 0.628 346 A CB -0.692 18.280 19.000 -0.045 0.000 0.816 346 A HN 0.495 nan 8.150 nan 0.000 0.444 347 T N -0.318 114.199 114.554 -0.063 0.000 2.857 347 T HA 0.025 4.375 4.350 0.000 0.000 0.266 347 T C 1.910 176.539 174.700 -0.118 0.000 1.048 347 T CA 1.072 63.139 62.100 -0.054 0.000 1.139 347 T CB -0.478 68.382 68.868 -0.013 0.000 0.874 347 T HN 0.536 nan 8.240 nan 0.000 0.455 348 G N 0.554 109.233 108.800 -0.202 0.000 2.535 348 G HA2 -0.059 3.901 3.960 0.000 0.000 0.218 348 G HA3 -0.059 3.901 3.960 0.000 0.000 0.218 348 G C 1.431 175.834 174.900 -0.828 0.000 1.122 348 G CA 0.444 45.270 45.100 -0.458 0.000 0.769 348 G HN 0.437 nan 8.290 nan 0.000 0.549 349 V N 0.456 120.071 119.914 -0.498 0.000 2.922 349 V HA 0.121 4.241 4.120 0.000 0.000 0.242 349 V C 2.490 178.532 176.094 -0.088 0.000 1.094 349 V CA 0.146 62.249 62.300 -0.327 0.000 1.106 349 V CB 0.105 31.830 31.823 -0.164 0.000 0.799 349 V HN 0.194 nan 8.190 nan 0.000 0.474 350 I N 1.443 121.989 120.570 -0.040 0.000 2.315 350 I HA -0.142 4.028 4.170 0.000 0.000 0.248 350 I C 2.646 178.807 176.117 0.074 0.000 1.117 350 I CA 2.122 63.461 61.300 0.064 0.000 1.404 350 I CB -1.085 36.942 38.000 0.046 0.000 1.071 350 I HN 0.488 nan 8.210 nan 0.000 0.419 351 S N 0.146 115.853 115.700 0.012 0.000 2.395 351 S HA -0.127 4.343 4.470 0.000 0.000 0.225 351 S C 2.024 176.651 174.600 0.044 0.000 1.027 351 S CA 1.383 59.603 58.200 0.034 0.000 0.965 351 S CB -1.056 62.152 63.200 0.014 0.000 0.812 351 S HN 0.570 nan 8.310 nan 0.000 0.482 352 T N 0.788 115.352 114.554 0.017 0.000 2.812 352 T HA 0.094 4.444 4.350 0.000 0.000 0.264 352 T C 0.790 175.530 174.700 0.065 0.000 1.042 352 T CA 0.088 62.221 62.100 0.055 0.000 1.140 352 T CB -1.197 67.731 68.868 0.100 0.000 0.870 352 T HN 0.252 nan 8.240 nan 0.000 0.445 353 L N 2.478 123.746 121.223 0.074 0.000 3.184 353 L HA -0.090 4.250 4.340 0.000 0.000 0.341 353 L C 0.330 177.237 176.870 0.061 0.000 1.112 353 L CA 0.885 55.787 54.840 0.103 0.000 0.842 353 L CB -0.433 41.744 42.059 0.196 0.000 1.260 353 L HN 0.495 nan 8.230 nan 0.000 0.573 354 Q N 6.151 125.963 119.800 0.019 0.000 2.322 354 Q HA 0.501 4.841 4.340 0.000 0.000 0.265 354 Q C -0.852 175.089 176.000 -0.098 0.000 0.985 354 Q CA -0.780 55.000 55.803 -0.038 0.000 0.849 354 Q CB 1.243 29.959 28.738 -0.038 0.000 1.274 354 Q HN 0.702 nan 8.270 nan 0.000 0.449 355 I N 0.491 120.954 120.570 -0.178 0.000 2.412 355 I HA 0.366 4.536 4.170 0.000 0.000 0.296 355 I C -0.308 175.736 176.117 -0.122 0.000 0.987 355 I CA -0.988 60.153 61.300 -0.265 0.000 1.180 355 I CB 1.321 38.957 38.000 -0.606 0.000 1.340 355 I HN 0.499 nan 8.210 nan 0.000 0.455 356 H N 5.095 124.063 119.070 -0.171 0.000 2.914 356 H HA 0.233 4.789 4.556 -0.000 0.000 0.264 356 H C 0.712 175.951 175.328 -0.149 0.000 1.433 356 H CA -0.157 55.825 56.048 -0.110 0.000 1.342 356 H CB 0.712 30.455 29.762 -0.032 0.000 1.582 356 H HN 0.737 nan 8.280 nan 0.000 0.525 357 Q N 2.076 121.836 119.800 -0.066 0.000 2.062 357 Q HA -0.237 4.103 4.340 0.000 0.000 0.209 357 Q C 1.516 177.416 176.000 -0.167 0.000 0.996 357 Q CA 2.335 58.044 55.803 -0.157 0.000 0.859 357 Q CB 0.220 28.885 28.738 -0.121 0.000 0.920 357 Q HN 0.683 nan 8.270 nan 0.000 0.415 358 E N 0.585 120.668 120.200 -0.195 0.000 2.058 358 E HA -0.210 4.140 4.350 0.000 0.000 0.194 358 E C 1.748 178.245 176.600 -0.171 0.000 0.997 358 E CA 1.500 57.788 56.400 -0.186 0.000 0.801 358 E CB -0.189 29.375 29.700 -0.226 0.000 0.746 358 E HN 0.366 nan 8.360 nan 0.000 0.450 359 N N 0.532 119.116 118.700 -0.194 0.000 2.094 359 N HA -0.178 4.562 4.740 0.000 0.000 0.191 359 N C 1.714 177.194 175.510 -0.050 0.000 1.023 359 N CA 1.582 54.590 53.050 -0.070 0.000 0.857 359 N CB -0.186 38.318 38.487 0.028 0.000 1.013 359 N HN 0.191 nan 8.380 nan 0.000 0.426 360 M N -0.515 118.993 119.600 -0.155 0.000 2.175 360 M HA 0.041 4.521 4.480 0.000 0.000 0.264 360 M C 2.201 178.347 176.300 -0.257 0.000 1.063 360 M CA 1.453 56.550 55.300 -0.339 0.000 1.119 360 M CB -0.401 31.942 32.600 -0.430 0.000 1.377 360 M HN 0.276 nan 8.290 nan 0.000 0.415 361 G N -0.573 108.112 108.800 -0.190 0.000 2.511 361 G HA2 -0.144 3.816 3.960 0.000 0.000 0.217 361 G HA3 -0.144 3.816 3.960 0.000 0.000 0.217 361 G C 1.370 176.149 174.900 -0.202 0.000 1.133 361 G CA 0.332 45.323 45.100 -0.182 0.000 0.792 361 G HN 0.329 nan 8.290 nan 0.000 0.539 362 Q N -0.100 119.610 119.800 -0.150 0.000 2.403 362 Q HA 0.421 4.761 4.340 0.000 0.000 0.203 362 Q C 2.103 178.034 176.000 -0.116 0.000 0.932 362 Q CA 0.495 56.228 55.803 -0.118 0.000 0.945 362 Q CB 0.342 29.035 28.738 -0.075 0.000 1.045 362 Q HN 0.385 nan 8.270 nan 0.000 0.511 363 A N -0.438 122.299 122.820 -0.140 0.000 2.307 363 A HA 0.163 4.483 4.320 0.000 0.000 0.218 363 A C -0.019 177.451 177.584 -0.190 0.000 1.228 363 A CA 0.065 52.045 52.037 -0.095 0.000 0.857 363 A CB 0.115 19.107 19.000 -0.014 0.000 0.897 363 A HN 0.126 nan 8.150 nan 0.000 0.495 364 L N -0.108 120.925 121.223 -0.316 0.000 2.365 364 L HA 0.688 5.028 4.340 0.000 0.000 0.267 364 L C 0.405 177.139 176.870 -0.228 0.000 1.033 364 L CA -0.182 54.392 54.840 -0.444 0.000 0.802 364 L CB 1.142 42.525 42.059 -1.127 0.000 1.267 364 L HN 0.315 nan 8.230 nan 0.000 0.457 365 S N -1.017 114.690 115.700 0.012 0.000 2.548 365 S HA 0.402 4.872 4.470 0.000 0.000 0.278 365 S C -2.415 172.376 174.600 0.319 0.000 1.150 365 S CA -0.807 57.508 58.200 0.193 0.000 0.907 365 S CB 1.980 65.218 63.200 0.063 0.000 1.108 365 S HN 0.456 nan 8.310 nan 0.000 0.459 366 P HA -0.150 nan 4.420 nan 0.000 0.226 366 P C 0.977 178.340 177.300 0.106 0.000 1.146 366 P CA 1.426 64.596 63.100 0.116 0.000 0.773 366 P CB -0.103 31.566 31.700 -0.051 0.000 0.772 367 D N 0.508 120.961 120.400 0.088 0.000 2.178 367 D HA -0.182 4.458 4.640 0.000 0.000 0.201 367 D C 1.577 177.938 176.300 0.101 0.000 0.980 367 D CA 1.199 55.242 54.000 0.070 0.000 0.842 367 D CB -0.866 39.962 40.800 0.046 0.000 0.948 367 D HN 0.226 nan 8.370 nan 0.000 0.472 368 M N -0.054 119.623 119.600 0.129 0.000 2.419 368 M HA 0.100 4.580 4.480 0.000 0.000 0.264 368 M C 2.186 178.594 176.300 0.179 0.000 1.082 368 M CA 0.670 56.051 55.300 0.135 0.000 1.119 368 M CB -0.021 32.653 32.600 0.123 0.000 1.398 368 M HN -0.075 nan 8.290 nan 0.000 0.453 369 L N -0.191 121.153 121.223 0.201 0.000 2.492 369 L HA 0.101 4.441 4.340 0.000 0.000 0.223 369 L C 2.696 179.704 176.870 0.229 0.000 1.132 369 L CA 0.050 55.025 54.840 0.226 0.000 0.850 369 L CB -0.759 41.447 42.059 0.245 0.000 0.966 369 L HN 0.295 nan 8.230 nan 0.000 0.454 370 A N 0.753 123.685 122.820 0.186 0.000 1.940 370 A HA -0.244 4.076 4.320 0.000 0.000 0.219 370 A C 2.429 180.087 177.584 0.124 0.000 1.176 370 A CA 2.362 54.489 52.037 0.150 0.000 0.631 370 A CB -0.886 18.171 19.000 0.095 0.000 0.814 370 A HN 0.501 nan 8.150 nan 0.000 0.446 371 T N -2.904 111.737 114.554 0.145 0.000 3.072 371 T HA -0.072 4.278 4.350 0.000 0.000 0.266 371 T C 0.964 175.714 174.700 0.083 0.000 1.127 371 T CA 1.325 63.498 62.100 0.122 0.000 1.107 371 T CB -0.291 68.711 68.868 0.223 0.000 0.910 371 T HN 0.396 nan 8.240 nan 0.000 0.513 372 D N 0.768 121.298 120.400 0.216 0.000 2.323 372 D HA 0.129 4.769 4.640 0.000 0.000 0.209 372 D C 1.656 178.070 176.300 0.189 0.000 0.973 372 D CA 0.286 54.470 54.000 0.306 0.000 0.874 372 D CB 0.023 40.995 40.800 0.287 0.000 0.930 372 D HN 0.348 nan 8.370 nan 0.000 0.521 373 L N 0.822 122.111 121.223 0.109 0.000 2.240 373 L HA 0.030 4.370 4.340 0.000 0.000 0.211 373 L C 2.376 179.338 176.870 0.153 0.000 1.106 373 L CA 0.686 55.602 54.840 0.126 0.000 0.793 373 L CB -0.475 41.671 42.059 0.145 0.000 0.927 373 L HN -0.075 nan 8.230 nan 0.000 0.446 374 A N -1.199 121.642 122.820 0.034 0.000 1.898 374 A HA -0.187 4.133 4.320 0.000 0.000 0.216 374 A C 1.981 179.590 177.584 0.042 0.000 1.181 374 A CA 1.300 53.328 52.037 -0.015 0.000 0.620 374 A CB -0.779 18.155 19.000 -0.109 0.000 0.819 374 A HN 0.397 nan 8.150 nan 0.000 0.442 375 Y N -2.118 118.334 120.300 0.253 0.000 2.509 375 Y HA -0.075 4.475 4.550 0.000 0.000 0.293 375 Y C 2.057 178.041 175.900 0.141 0.000 1.133 375 Y CA 0.416 58.613 58.100 0.162 0.000 1.283 375 Y CB -0.902 37.615 38.460 0.095 0.000 1.001 375 Y HN 0.550 nan 8.280 nan 0.000 0.555 376 Y N 0.238 120.607 120.300 0.115 0.000 2.153 376 Y HA -0.131 4.419 4.550 0.000 0.000 0.289 376 Y C 1.926 177.786 175.900 -0.067 0.000 1.127 376 Y CA 1.502 59.615 58.100 0.021 0.000 1.131 376 Y CB -0.482 37.982 38.460 0.007 0.000 0.995 376 Y HN -0.016 nan 8.280 nan 0.000 0.505 377 L N -0.888 120.433 121.223 0.164 0.000 2.275 377 L HA -0.170 4.170 4.340 0.000 0.000 0.215 377 L C 2.248 179.108 176.870 -0.016 0.000 1.119 377 L CA 0.534 55.354 54.840 -0.033 0.000 0.790 377 L CB -0.620 41.357 42.059 -0.136 0.000 0.919 377 L HN 0.149 nan 8.230 nan 0.000 0.443 378 V N 0.110 120.058 119.914 0.058 0.000 2.427 378 V HA -0.236 3.884 4.120 0.000 0.000 0.248 378 V C 2.505 178.603 176.094 0.006 0.000 1.051 378 V CA 1.749 64.094 62.300 0.075 0.000 1.048 378 V CB -0.427 31.496 31.823 0.166 0.000 0.666 378 V HN 0.440 nan 8.190 nan 0.000 0.456 379 R N -0.305 120.173 120.500 -0.037 0.000 2.240 379 R HA 0.053 4.393 4.340 0.000 0.000 0.203 379 R C 1.641 177.858 176.300 -0.137 0.000 1.011 379 R CA 0.352 56.395 56.100 -0.094 0.000 1.007 379 R CB -0.032 30.192 30.300 -0.126 0.000 0.911 379 R HN 0.280 nan 8.270 nan 0.000 0.468 380 K N 0.116 120.418 120.400 -0.164 0.000 2.437 380 K HA 0.142 4.462 4.320 0.000 0.000 0.198 380 K C 0.481 177.024 176.600 -0.095 0.000 1.024 380 K CA 0.576 56.764 56.287 -0.164 0.000 1.148 380 K CB 0.961 33.334 32.500 -0.213 0.000 0.860 380 K HN 0.371 nan 8.250 nan 0.000 0.515 381 G N 2.051 110.810 108.800 -0.068 0.000 2.165 381 G HA2 -0.252 3.708 3.960 0.000 0.000 0.226 381 G HA3 -0.252 3.708 3.960 0.000 0.000 0.226 381 G C -0.164 174.722 174.900 -0.024 0.000 1.035 381 G CA 0.219 45.295 45.100 -0.041 0.000 0.744 381 G HN 0.336 nan 8.290 nan 0.000 0.501 382 M N 0.963 120.555 119.600 -0.014 0.000 2.528 382 M HA 0.624 5.104 4.480 0.000 0.000 0.321 382 M C -2.175 174.153 176.300 0.047 0.000 1.153 382 M CA -2.286 53.017 55.300 0.005 0.000 0.951 382 M CB 2.218 34.807 32.600 -0.018 0.000 1.705 382 M HN 0.016 nan 8.290 nan 0.000 0.451 383 P HA 0.072 nan 4.420 nan 0.000 0.277 383 P C -0.008 177.379 177.300 0.145 0.000 1.240 383 P CA -0.218 62.938 63.100 0.093 0.000 0.798 383 P CB 0.687 32.424 31.700 0.061 0.000 0.979 384 F N 3.606 123.563 119.950 0.012 0.000 2.026 384 F HA -0.180 4.347 4.527 0.000 0.000 0.296 384 F C 2.499 178.315 175.800 0.026 0.000 1.133 384 F CA 1.661 59.667 58.000 0.010 0.000 1.188 384 F CB -0.659 38.338 39.000 -0.004 0.000 0.968 384 F HN 0.247 nan 8.300 nan 0.000 0.476 385 R N -0.130 120.291 120.500 -0.133 0.000 2.119 385 R HA -0.258 4.082 4.340 0.000 0.000 0.246 385 R C 2.279 178.540 176.300 -0.065 0.000 1.146 385 R CA 2.187 58.184 56.100 -0.172 0.000 0.962 385 R CB -0.671 29.606 30.300 -0.037 0.000 0.863 385 R HN 0.508 nan 8.270 nan 0.000 0.442 386 Q N -0.307 119.471 119.800 -0.037 0.000 2.020 386 Q HA -0.071 4.269 4.340 0.000 0.000 0.198 386 Q C 2.348 178.329 176.000 -0.031 0.000 0.974 386 Q CA 1.367 57.161 55.803 -0.015 0.000 0.829 386 Q CB -0.143 28.598 28.738 0.004 0.000 0.894 386 Q HN 0.408 nan 8.270 nan 0.000 0.433 387 A N 1.219 124.016 122.820 -0.037 0.000 1.940 387 A HA -0.234 4.086 4.320 0.000 0.000 0.219 387 A C 1.870 179.412 177.584 -0.069 0.000 1.176 387 A CA 1.909 53.932 52.037 -0.023 0.000 0.631 387 A CB -0.836 18.199 19.000 0.059 0.000 0.814 387 A HN 0.568 nan 8.150 nan 0.000 0.446 388 H N -1.543 117.285 119.070 -0.402 0.000 2.548 388 H HA 0.137 4.693 4.556 0.000 0.000 0.265 388 H C 1.447 176.634 175.328 -0.235 0.000 0.969 388 H CA 1.116 56.906 56.048 -0.431 0.000 1.155 388 H CB 0.005 29.215 29.762 -0.920 0.000 1.394 388 H HN 0.461 nan 8.280 nan 0.000 0.570 389 E N 0.766 120.846 120.200 -0.199 0.000 2.190 389 E HA 0.069 4.419 4.350 0.000 0.000 0.191 389 E C 2.128 178.665 176.600 -0.105 0.000 0.978 389 E CA 0.783 57.069 56.400 -0.190 0.000 0.839 389 E CB 0.158 29.819 29.700 -0.064 0.000 0.787 389 E HN 0.546 nan 8.360 nan 0.000 0.473 390 A N 0.448 123.250 122.820 -0.031 0.000 1.930 390 A HA -0.107 4.213 4.320 0.000 0.000 0.217 390 A C 2.459 180.073 177.584 0.050 0.000 1.175 390 A CA 1.654 53.729 52.037 0.063 0.000 0.627 390 A CB -0.453 18.647 19.000 0.166 0.000 0.815 390 A HN 0.174 nan 8.150 nan 0.000 0.443 391 S N -0.513 115.189 115.700 0.003 0.000 2.368 391 S HA -0.061 4.409 4.470 0.000 0.000 0.225 391 S C 2.066 176.631 174.600 -0.058 0.000 1.030 391 S CA 1.170 59.365 58.200 -0.008 0.000 0.999 391 S CB -0.580 62.596 63.200 -0.040 0.000 0.844 391 S HN 0.767 nan 8.310 nan 0.000 0.459 392 G N 1.350 110.059 108.800 -0.152 0.000 2.422 392 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 392 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 392 G C 1.398 176.288 174.900 -0.015 0.000 1.146 392 G CA 0.601 45.620 45.100 -0.136 0.000 0.769 392 G HN 0.430 nan 8.290 nan 0.000 0.547 393 K N 0.375 120.779 120.400 0.006 0.000 2.228 393 K HA 0.186 4.506 4.320 0.000 0.000 0.202 393 K C 2.818 179.449 176.600 0.052 0.000 1.051 393 K CA 0.665 57.001 56.287 0.082 0.000 0.960 393 K CB -0.007 32.532 32.500 0.064 0.000 0.743 393 K HN 0.278 nan 8.250 nan 0.000 0.458 394 A N 0.940 123.762 122.820 0.004 0.000 1.968 394 A HA -0.057 4.263 4.320 0.000 0.000 0.217 394 A C 2.282 179.852 177.584 -0.024 0.000 1.169 394 A CA 0.882 52.893 52.037 -0.043 0.000 0.638 394 A CB -0.328 18.634 19.000 -0.064 0.000 0.812 394 A HN 0.021 nan 8.150 nan 0.000 0.446 395 V N -1.047 118.877 119.914 0.017 0.000 2.270 395 V HA -0.196 3.924 4.120 0.000 0.000 0.245 395 V C 2.260 178.402 176.094 0.081 0.000 1.043 395 V CA 2.058 64.377 62.300 0.031 0.000 1.014 395 V CB -0.902 30.941 31.823 0.033 0.000 0.645 395 V HN 0.641 nan 8.190 nan 0.000 0.447 396 F N 0.155 120.070 119.950 -0.058 0.000 2.202 396 F HA -0.223 4.304 4.527 -0.000 0.000 0.301 396 F C 2.272 178.041 175.800 -0.053 0.000 1.082 396 F CA 1.978 59.947 58.000 -0.051 0.000 1.313 396 F CB -0.378 38.593 39.000 -0.049 0.000 1.024 396 F HN 0.104 nan 8.300 nan 0.000 0.495 397 M N -0.283 119.204 119.600 -0.188 0.000 2.099 397 M HA -0.094 4.386 4.480 0.000 0.000 0.262 397 M C 2.262 178.424 176.300 -0.229 0.000 1.067 397 M CA 1.941 57.058 55.300 -0.304 0.000 1.124 397 M CB -0.373 32.111 32.600 -0.193 0.000 1.353 397 M HN 0.178 nan 8.290 nan 0.000 0.410 398 A N -0.153 122.579 122.820 -0.148 0.000 1.969 398 A HA -0.156 4.164 4.320 0.000 0.000 0.218 398 A C 1.969 179.488 177.584 -0.109 0.000 1.169 398 A CA 1.516 53.474 52.037 -0.131 0.000 0.635 398 A CB -0.757 18.169 19.000 -0.123 0.000 0.810 398 A HN 0.621 nan 8.150 nan 0.000 0.445 399 E N -0.478 119.675 120.200 -0.078 0.000 2.012 399 E HA -0.175 4.175 4.350 0.000 0.000 0.197 399 E C 1.947 178.506 176.600 -0.068 0.000 1.007 399 E CA 2.011 58.393 56.400 -0.031 0.000 0.816 399 E CB -0.231 29.513 29.700 0.074 0.000 0.762 399 E HN 0.564 nan 8.360 nan 0.000 0.451 400 T N 0.614 115.078 114.554 -0.150 0.000 2.995 400 T HA -0.080 4.270 4.350 0.000 0.000 0.269 400 T C 1.787 176.395 174.700 -0.154 0.000 1.091 400 T CA 0.946 62.941 62.100 -0.176 0.000 1.128 400 T CB -0.009 68.639 68.868 -0.367 0.000 0.891 400 T HN 0.071 nan 8.240 nan 0.000 0.492 401 K N 0.014 120.317 120.400 -0.161 0.000 2.296 401 K HA 0.101 4.421 4.320 0.000 0.000 0.200 401 K C 1.892 178.432 176.600 -0.100 0.000 1.048 401 K CA 0.806 57.015 56.287 -0.130 0.000 0.966 401 K CB -0.123 32.294 32.500 -0.138 0.000 0.754 401 K HN 0.373 nan 8.250 nan 0.000 0.466 402 G N 0.408 109.153 108.800 -0.092 0.000 2.363 402 G HA2 -0.297 3.663 3.960 0.000 0.000 0.238 402 G HA3 -0.297 3.663 3.960 0.000 0.000 0.238 402 G C 0.103 174.956 174.900 -0.078 0.000 1.062 402 G CA 0.375 45.432 45.100 -0.071 0.000 0.629 402 G HN 0.366 nan 8.290 nan 0.000 0.514 403 V N -0.269 119.589 119.914 -0.094 0.000 2.385 403 V HA 0.848 4.968 4.120 0.000 0.000 0.269 403 V C 0.988 177.001 176.094 -0.135 0.000 1.043 403 V CA -0.549 61.687 62.300 -0.107 0.000 0.906 403 V CB 0.366 32.126 31.823 -0.105 0.000 0.995 403 V HN 1.865 nan 8.190 nan 0.000 0.467 404 A N 4.454 127.191 122.820 -0.139 0.000 2.582 404 A HA 0.203 4.523 4.320 0.000 0.000 0.248 404 A C 1.371 178.795 177.584 -0.266 0.000 1.127 404 A CA 0.557 52.491 52.037 -0.171 0.000 0.822 404 A CB -0.206 18.704 19.000 -0.151 0.000 1.069 404 A HN 1.076 nan 8.150 nan 0.000 0.522 405 L N -0.402 120.630 121.223 -0.318 0.000 2.137 405 L HA -0.303 4.037 4.340 0.000 0.000 0.213 405 L C 2.023 178.289 176.870 -1.006 0.000 1.085 405 L CA 2.318 56.840 54.840 -0.531 0.000 0.760 405 L CB -0.639 41.148 42.059 -0.455 0.000 0.893 405 L HN 0.844 nan 8.230 nan 0.000 0.434 406 N N -0.844 117.310 118.700 -0.910 0.000 2.354 406 N HA -0.138 4.602 4.740 0.000 0.000 0.179 406 N C 1.373 176.532 175.510 -0.585 0.000 1.021 406 N CA 0.561 52.991 53.050 -1.035 0.000 0.887 406 N CB -0.153 37.964 38.487 -0.618 0.000 0.974 406 N HN 0.387 nan 8.380 nan 0.000 0.437 407 Q N 0.148 119.709 119.800 -0.399 0.000 2.365 407 Q HA 0.230 4.570 4.340 0.000 0.000 0.203 407 Q C -0.412 175.468 176.000 -0.201 0.000 0.929 407 Q CA 0.115 55.772 55.803 -0.243 0.000 0.948 407 Q CB 0.199 28.825 28.738 -0.186 0.000 1.043 407 Q HN 0.375 nan 8.270 nan 0.000 0.505 408 L N 0.901 121.983 121.223 -0.235 0.000 2.331 408 L HA 0.202 4.542 4.340 0.000 0.000 0.278 408 L C 0.092 176.907 176.870 -0.091 0.000 1.106 408 L CA -0.430 54.317 54.840 -0.156 0.000 0.824 408 L CB 1.158 43.123 42.059 -0.155 0.000 1.142 408 L HN 0.022 nan 8.230 nan 0.000 0.443 409 S N 2.949 118.600 115.700 -0.082 0.000 2.564 409 S HA 0.140 4.609 4.470 0.000 0.000 0.278 409 S C 1.274 175.846 174.600 -0.048 0.000 1.333 409 S CA -0.761 57.406 58.200 -0.054 0.000 1.048 409 S CB 1.203 64.372 63.200 -0.052 0.000 0.900 409 S HN 0.442 nan 8.310 nan 0.000 0.505 410 L N 2.772 123.982 121.223 -0.021 0.000 2.012 410 L HA -0.161 4.179 4.340 0.000 0.000 0.210 410 L C 2.259 179.122 176.870 -0.012 0.000 1.073 410 L CA 2.027 56.861 54.840 -0.011 0.000 0.748 410 L CB -1.310 40.757 42.059 0.014 0.000 0.891 410 L HN 0.709 nan 8.230 nan 0.000 0.431 411 Q N -0.711 119.083 119.800 -0.010 0.000 2.291 411 Q HA -0.146 4.194 4.340 0.000 0.000 0.205 411 Q C 2.039 178.028 176.000 -0.018 0.000 0.970 411 Q CA 0.853 56.654 55.803 -0.003 0.000 0.876 411 Q CB -0.049 28.687 28.738 -0.004 0.000 0.935 411 Q HN 0.486 nan 8.270 nan 0.000 0.455 412 E N 0.243 120.416 120.200 -0.045 0.000 2.047 412 E HA -0.141 4.209 4.350 0.000 0.000 0.191 412 E C 1.669 178.212 176.600 -0.094 0.000 0.987 412 E CA 0.864 57.222 56.400 -0.070 0.000 0.799 412 E CB -0.034 29.611 29.700 -0.091 0.000 0.752 412 E HN 0.322 nan 8.360 nan 0.000 0.449 413 L N 0.523 121.659 121.223 -0.146 0.000 2.291 413 L HA -0.162 4.178 4.340 0.000 0.000 0.214 413 L C 2.188 179.039 176.870 -0.031 0.000 1.120 413 L CA 0.763 55.426 54.840 -0.296 0.000 0.799 413 L CB 0.004 41.739 42.059 -0.539 0.000 0.925 413 L HN 0.067 nan 8.230 nan 0.000 0.446 414 Q N -1.163 118.660 119.800 0.039 0.000 2.435 414 Q HA -0.086 4.254 4.340 0.000 0.000 0.207 414 Q C 1.945 177.994 176.000 0.082 0.000 0.956 414 Q CA 1.214 57.081 55.803 0.108 0.000 0.917 414 Q CB 0.186 28.968 28.738 0.073 0.000 0.997 414 Q HN 0.407 nan 8.270 nan 0.000 0.497 415 T N -0.235 114.344 114.554 0.041 0.000 2.852 415 T HA 0.039 4.389 4.350 0.000 0.000 0.256 415 T C 1.663 176.396 174.700 0.055 0.000 1.038 415 T CA 0.640 62.758 62.100 0.031 0.000 1.141 415 T CB 0.010 68.876 68.868 -0.004 0.000 0.869 415 T HN 0.195 nan 8.240 nan 0.000 0.439 416 I N 0.629 121.236 120.570 0.061 0.000 2.394 416 I HA 0.006 4.176 4.170 0.000 0.000 0.251 416 I C 0.979 177.219 176.117 0.206 0.000 1.136 416 I CA 0.611 61.974 61.300 0.104 0.000 1.425 416 I CB 0.112 38.144 38.000 0.053 0.000 1.079 416 I HN 0.109 nan 8.210 nan 0.000 0.425 417 S N -1.101 114.785 115.700 0.310 0.000 2.590 417 S HA 0.273 4.743 4.470 0.000 0.000 0.286 417 S C -2.299 172.443 174.600 0.238 0.000 1.147 417 S CA -0.905 57.444 58.200 0.247 0.000 0.963 417 S CB 1.313 64.607 63.200 0.158 0.000 1.124 417 S HN -0.239 nan 8.310 nan 0.000 0.458 418 P HA 0.015 nan 4.420 nan 0.000 0.223 418 P C 1.294 178.649 177.300 0.091 0.000 1.144 418 P CA 0.636 63.796 63.100 0.101 0.000 0.783 418 P CB 0.078 31.812 31.700 0.058 0.000 0.771 419 L N -2.902 118.340 121.223 0.031 0.000 2.191 419 L HA -0.089 4.251 4.340 0.000 0.000 0.212 419 L C 0.872 177.781 176.870 0.065 0.000 1.103 419 L CA 0.420 55.247 54.840 -0.021 0.000 0.769 419 L CB -0.786 41.194 42.059 -0.133 0.000 0.908 419 L HN -0.063 nan 8.230 nan 0.000 0.438 420 F N 0.556 120.594 119.950 0.146 0.000 2.543 420 F HA 0.071 4.598 4.527 0.000 0.000 0.375 420 F C 0.974 176.834 175.800 0.101 0.000 1.075 420 F CA 0.009 58.077 58.000 0.114 0.000 1.225 420 F CB 0.402 39.384 39.000 -0.031 0.000 1.099 420 F HN -0.005 nan 8.300 nan 0.000 0.561 421 S N 0.756 116.666 115.700 0.350 0.000 2.973 421 S HA 0.533 5.003 4.470 0.000 0.000 0.317 421 S C 1.152 175.852 174.600 0.167 0.000 1.196 421 S CA -0.452 57.873 58.200 0.209 0.000 0.894 421 S CB 0.748 64.044 63.200 0.160 0.000 1.292 421 S HN 0.629 nan 8.310 nan 0.000 0.614 422 G N 1.526 110.392 108.800 0.110 0.000 2.517 422 G HA2 -0.242 3.718 3.960 0.000 0.000 0.222 422 G HA3 -0.242 3.718 3.960 0.000 0.000 0.222 422 G C 0.667 175.610 174.900 0.072 0.000 1.109 422 G CA 1.383 46.528 45.100 0.074 0.000 0.746 422 G HN 0.875 nan 8.290 nan 0.000 0.576 423 D N 1.043 121.526 120.400 0.138 0.000 2.324 423 D HA -0.044 4.596 4.640 0.000 0.000 0.235 423 D C 2.313 178.685 176.300 0.119 0.000 1.095 423 D CA 0.682 54.764 54.000 0.138 0.000 0.871 423 D CB -0.445 40.440 40.800 0.142 0.000 0.906 423 D HN 0.411 nan 8.370 nan 0.000 0.522 424 V N -2.004 117.885 119.914 -0.043 0.000 2.719 424 V HA -0.137 3.983 4.120 0.000 0.000 0.252 424 V C 2.211 177.963 176.094 -0.570 0.000 1.065 424 V CA 0.290 62.346 62.300 -0.406 0.000 1.086 424 V CB -0.601 31.015 31.823 -0.345 0.000 0.700 424 V HN 0.005 nan 8.190 nan 0.000 0.467 425 I N 2.536 122.953 120.570 -0.255 0.000 2.151 425 I HA -0.262 3.908 4.170 0.000 0.000 0.243 425 I C 2.892 178.817 176.117 -0.320 0.000 1.080 425 I CA 2.171 63.372 61.300 -0.166 0.000 1.339 425 I CB -1.811 36.184 38.000 -0.008 0.000 1.039 425 I HN 0.708 nan 8.210 nan 0.000 0.409 426 C N -0.212 118.895 119.300 -0.321 0.000 2.449 426 C HA 0.061 4.521 4.460 0.000 0.000 0.283 426 C C 2.600 177.178 174.990 -0.686 0.000 1.453 426 C CA -0.209 58.569 59.018 -0.399 0.000 1.779 426 C CB -1.829 25.700 27.740 -0.352 0.000 1.779 426 C HN 0.312 nan 8.230 nan 0.000 0.546 427 V N -1.036 118.403 119.914 -0.792 0.000 2.970 427 V HA -0.135 3.985 4.120 0.000 0.000 0.260 427 V C 1.637 177.404 176.094 -0.544 0.000 1.100 427 V CA 1.121 62.975 62.300 -0.745 0.000 1.122 427 V CB -0.940 30.374 31.823 -0.848 0.000 0.721 427 V HN 0.831 nan 8.190 nan 0.000 0.483 428 W N 0.443 121.621 121.300 -0.204 0.000 3.364 428 W HA 0.357 5.017 4.660 0.000 0.000 0.397 428 W C 0.333 176.668 176.519 -0.307 0.000 1.107 428 W CA -0.762 56.430 57.345 -0.255 0.000 1.892 428 W CB 0.043 29.381 29.460 -0.204 0.000 1.027 428 W HN 0.153 nan 8.180 nan 0.000 0.761 429 D N -0.911 119.438 120.400 -0.085 0.000 2.381 429 D HA 0.107 4.747 4.640 0.000 0.000 0.235 429 D C 0.753 177.069 176.300 0.027 0.000 1.068 429 D CA -0.672 53.311 54.000 -0.028 0.000 0.832 429 D CB 0.905 41.730 40.800 0.041 0.000 1.101 429 D HN -0.039 nan 8.370 nan 0.000 0.515 430 Y N 2.137 122.519 120.300 0.138 0.000 2.151 430 Y HA -0.145 4.405 4.550 -0.000 0.000 0.284 430 Y C 2.333 178.305 175.900 0.120 0.000 1.166 430 Y CA 0.997 59.168 58.100 0.119 0.000 1.163 430 Y CB -0.167 38.336 38.460 0.073 0.000 0.974 430 Y HN 0.427 nan 8.280 nan 0.000 0.511 431 R N -0.715 119.942 120.500 0.262 0.000 2.285 431 R HA -0.153 4.187 4.340 0.000 0.000 0.213 431 R C 2.187 178.592 176.300 0.174 0.000 1.068 431 R CA 0.765 56.976 56.100 0.186 0.000 1.004 431 R CB -0.350 30.038 30.300 0.147 0.000 0.873 431 R HN 0.535 nan 8.270 nan 0.000 0.467 432 H N -0.531 118.588 119.070 0.083 0.000 2.372 432 H HA 0.069 4.625 4.556 0.000 0.000 0.301 432 H C 1.491 176.862 175.328 0.071 0.000 1.065 432 H CA 1.410 57.490 56.048 0.054 0.000 1.364 432 H CB 0.350 30.125 29.762 0.022 0.000 1.406 432 H HN 0.015 nan 8.280 nan 0.000 0.521 433 S N 0.778 116.616 115.700 0.229 0.000 2.399 433 S HA -0.129 4.341 4.470 0.000 0.000 0.231 433 S C 2.412 177.117 174.600 0.176 0.000 1.022 433 S CA 1.322 59.642 58.200 0.200 0.000 0.983 433 S CB -0.401 62.956 63.200 0.262 0.000 0.803 433 S HN 0.537 nan 8.310 nan 0.000 0.480 434 V N 0.422 120.423 119.914 0.144 0.000 2.591 434 V HA 0.078 4.198 4.120 0.000 0.000 0.249 434 V C 1.479 177.630 176.094 0.096 0.000 1.053 434 V CA 1.229 63.606 62.300 0.127 0.000 1.068 434 V CB -0.503 31.373 31.823 0.089 0.000 0.689 434 V HN 0.218 nan 8.190 nan 0.000 0.462 435 E N 0.602 120.813 120.200 0.017 0.000 2.463 435 E HA -0.037 4.313 4.350 0.000 0.000 0.191 435 E C 1.787 178.305 176.600 -0.136 0.000 1.083 435 E CA 0.547 56.924 56.400 -0.037 0.000 0.872 435 E CB 0.388 30.064 29.700 -0.040 0.000 0.966 435 E HN 0.868 nan 8.360 nan 0.000 0.491 436 Q N -0.429 119.277 119.800 -0.156 0.000 2.396 436 Q HA -0.021 4.319 4.340 0.000 0.000 0.209 436 Q C -0.181 175.533 176.000 -0.477 0.000 0.906 436 Q CA 0.164 55.773 55.803 -0.323 0.000 0.927 436 Q CB 0.372 28.913 28.738 -0.327 0.000 1.069 436 Q HN 0.151 nan 8.270 nan 0.000 0.523 437 Y N 0.465 120.675 120.300 -0.150 0.000 2.714 437 Y HA 0.374 4.924 4.550 0.000 0.000 0.333 437 Y C 0.801 176.634 175.900 -0.112 0.000 1.220 437 Y CA -0.197 57.818 58.100 -0.142 0.000 1.513 437 Y CB 0.626 39.001 38.460 -0.141 0.000 1.435 437 Y HN 0.124 nan 8.280 nan 0.000 0.489 438 G N 1.011 109.734 108.800 -0.127 0.000 3.365 438 G HA2 0.443 4.403 3.960 0.000 0.000 0.185 438 G HA3 0.443 4.403 3.960 0.000 0.000 0.185 438 G C 0.148 174.995 174.900 -0.088 0.000 1.565 438 G CA -0.415 44.634 45.100 -0.086 0.000 0.984 438 G HN 0.678 nan 8.290 nan 0.000 0.604 439 A N -0.979 121.764 122.820 -0.129 0.000 2.091 439 A HA 0.055 4.375 4.320 0.000 0.000 0.270 439 A C 0.563 178.043 177.584 -0.173 0.000 1.368 439 A CA 0.299 52.242 52.037 -0.156 0.000 0.745 439 A CB -1.867 17.050 19.000 -0.138 0.000 1.173 439 A HN 1.745 nan 8.150 nan 0.000 0.322 440 L N -2.207 118.846 121.223 -0.283 0.000 3.913 440 L HA -0.155 4.185 4.340 0.000 0.000 0.544 440 L C 1.596 178.438 176.870 -0.047 0.000 1.002 440 L CA 2.473 57.041 54.840 -0.454 0.000 1.008 440 L CB -2.237 39.264 42.059 -0.929 0.000 0.760 440 L HN 2.478 nan 8.230 nan 0.000 0.846 441 G N 0.909 109.873 108.800 0.273 0.000 2.195 441 G HA2 -0.061 3.899 3.960 0.000 0.000 0.224 441 G HA3 -0.061 3.899 3.960 0.000 0.000 0.224 441 G C 0.638 175.692 174.900 0.256 0.000 0.990 441 G CA 0.244 45.547 45.100 0.338 0.000 0.639 441 G HN 1.353 nan 8.290 nan 0.000 0.514 442 G N -0.900 108.002 108.800 0.170 0.000 2.508 442 G HA2 0.489 4.449 3.960 0.000 0.000 0.278 442 G HA3 0.489 4.449 3.960 0.000 0.000 0.278 442 G C 0.671 175.598 174.900 0.045 0.000 1.389 442 G CA 0.884 46.050 45.100 0.111 0.000 1.050 442 G HN 0.558 nan 8.290 nan 0.000 0.522 443 T N 0.493 114.990 114.554 -0.096 0.000 3.214 443 T HA 0.532 4.882 4.350 0.000 0.000 0.264 443 T C 0.765 175.475 174.700 0.015 0.000 1.012 443 T CA 0.241 62.225 62.100 -0.194 0.000 0.901 443 T CB 0.142 68.719 68.868 -0.486 0.000 1.070 443 T HN 0.737 nan 8.240 nan 0.000 0.561 444 A N 1.083 123.941 122.820 0.063 0.000 2.351 444 A HA 0.485 4.805 4.320 0.000 0.000 0.257 444 A C 1.578 179.215 177.584 0.088 0.000 1.087 444 A CA -0.534 51.540 52.037 0.062 0.000 0.798 444 A CB 0.368 19.386 19.000 0.030 0.000 1.033 444 A HN 0.388 nan 8.150 nan 0.000 0.488 445 R N 0.796 121.344 120.500 0.080 0.000 2.133 445 R HA -0.181 4.159 4.340 0.000 0.000 0.247 445 R C 2.093 178.450 176.300 0.095 0.000 1.151 445 R CA 2.302 58.457 56.100 0.091 0.000 0.971 445 R CB -0.292 30.053 30.300 0.074 0.000 0.866 445 R HN 0.864 nan 8.270 nan 0.000 0.447 446 S N -0.252 115.494 115.700 0.077 0.000 2.370 446 S HA -0.117 4.353 4.470 0.000 0.000 0.226 446 S C 2.017 176.697 174.600 0.133 0.000 1.033 446 S CA 1.658 59.905 58.200 0.078 0.000 1.011 446 S CB -0.190 63.031 63.200 0.033 0.000 0.852 446 S HN 0.288 nan 8.310 nan 0.000 0.457 447 S N 1.133 116.918 115.700 0.143 0.000 2.414 447 S HA 0.039 4.509 4.470 0.000 0.000 0.227 447 S C 2.009 176.782 174.600 0.289 0.000 1.022 447 S CA 0.812 59.155 58.200 0.239 0.000 0.958 447 S CB -0.350 62.966 63.200 0.194 0.000 0.797 447 S HN 0.377 nan 8.310 nan 0.000 0.493 448 V N 2.332 122.374 119.914 0.212 0.000 2.427 448 V HA -0.150 3.970 4.120 0.000 0.000 0.248 448 V C 2.083 178.251 176.094 0.123 0.000 1.051 448 V CA 1.501 63.906 62.300 0.174 0.000 1.048 448 V CB -0.571 31.348 31.823 0.160 0.000 0.666 448 V HN 0.410 nan 8.190 nan 0.000 0.456 449 D N -1.111 119.371 120.400 0.137 0.000 2.178 449 D HA -0.209 4.431 4.640 0.000 0.000 0.201 449 D C 1.831 178.206 176.300 0.125 0.000 0.980 449 D CA 1.367 55.432 54.000 0.108 0.000 0.842 449 D CB -0.073 40.791 40.800 0.107 0.000 0.948 449 D HN 0.682 nan 8.370 nan 0.000 0.472 450 W N 1.911 123.218 121.300 0.013 0.000 2.436 450 W HA -0.088 4.572 4.660 -0.000 0.000 0.284 450 W C 2.174 178.691 176.519 -0.004 0.000 1.225 450 W CA 0.986 58.333 57.345 0.004 0.000 1.271 450 W CB -0.118 29.345 29.460 0.006 0.000 1.114 450 W HN -0.050 nan 8.180 nan 0.000 0.559 451 Q N 0.031 119.735 119.800 -0.159 0.000 2.083 451 Q HA -0.125 4.215 4.340 0.000 0.000 0.198 451 Q C 2.210 178.035 176.000 -0.292 0.000 0.969 451 Q CA 1.803 57.385 55.803 -0.368 0.000 0.838 451 Q CB -0.423 28.220 28.738 -0.158 0.000 0.900 451 Q HN 0.340 nan 8.270 nan 0.000 0.436 452 I N 0.601 121.077 120.570 -0.155 0.000 2.530 452 I HA -0.290 3.880 4.170 0.000 0.000 0.257 452 I C 2.243 178.270 176.117 -0.149 0.000 1.179 452 I CA 1.059 62.285 61.300 -0.124 0.000 1.440 452 I CB -0.148 37.819 38.000 -0.055 0.000 1.087 452 I HN 0.173 nan 8.210 nan 0.000 0.440 453 R N 0.138 120.524 120.500 -0.190 0.000 2.048 453 R HA -0.069 4.271 4.340 0.000 0.000 0.224 453 R C 2.322 178.473 176.300 -0.249 0.000 1.163 453 R CA 0.788 56.780 56.100 -0.181 0.000 0.956 453 R CB -0.407 29.805 30.300 -0.146 0.000 0.849 453 R HN 0.306 nan 8.270 nan 0.000 0.435 454 Q N 0.625 120.175 119.800 -0.416 0.000 2.133 454 Q HA -0.164 4.176 4.340 0.000 0.000 0.208 454 Q C 2.285 178.118 176.000 -0.279 0.000 0.991 454 Q CA 1.590 57.146 55.803 -0.413 0.000 0.867 454 Q CB -0.514 27.800 28.738 -0.706 0.000 0.911 454 Q HN 0.204 nan 8.270 nan 0.000 0.417 455 V N 0.579 120.336 119.914 -0.262 0.000 2.270 455 V HA -0.224 3.896 4.120 0.000 0.000 0.245 455 V C 2.474 178.466 176.094 -0.169 0.000 1.043 455 V CA 1.869 64.052 62.300 -0.194 0.000 1.014 455 V CB -0.540 31.176 31.823 -0.180 0.000 0.645 455 V HN 0.224 nan 8.190 nan 0.000 0.447 456 R N 0.259 120.660 120.500 -0.164 0.000 2.105 456 R HA -0.167 4.173 4.340 0.000 0.000 0.239 456 R C 2.216 178.422 176.300 -0.156 0.000 1.135 456 R CA 1.743 57.753 56.100 -0.151 0.000 0.967 456 R CB -0.577 29.648 30.300 -0.125 0.000 0.861 456 R HN 0.536 nan 8.270 nan 0.000 0.442 457 A N -0.185 122.547 122.820 -0.148 0.000 1.929 457 A HA -0.070 4.250 4.320 0.000 0.000 0.216 457 A C 1.842 179.348 177.584 -0.130 0.000 1.176 457 A CA 0.831 52.791 52.037 -0.128 0.000 0.628 457 A CB -0.349 18.583 19.000 -0.114 0.000 0.816 457 A HN 0.214 nan 8.150 nan 0.000 0.444 458 L N -0.268 120.874 121.223 -0.134 0.000 2.079 458 L HA -0.123 4.217 4.340 0.000 0.000 0.210 458 L C 2.365 179.155 176.870 -0.133 0.000 1.081 458 L CA 1.450 56.224 54.840 -0.110 0.000 0.752 458 L CB -0.858 41.139 42.059 -0.103 0.000 0.896 458 L HN 0.369 nan 8.230 nan 0.000 0.433 459 L N -1.549 119.558 121.223 -0.194 0.000 2.240 459 L HA -0.152 4.188 4.340 0.000 0.000 0.211 459 L C 2.442 179.092 176.870 -0.367 0.000 1.106 459 L CA 0.462 55.103 54.840 -0.331 0.000 0.793 459 L CB -0.367 41.474 42.059 -0.363 0.000 0.927 459 L HN 0.284 nan 8.230 nan 0.000 0.446 460 Q N 1.081 120.735 119.800 -0.243 0.000 2.224 460 Q HA -0.086 4.254 4.340 0.000 0.000 0.203 460 Q C 1.670 177.571 176.000 -0.164 0.000 0.970 460 Q CA 1.597 57.278 55.803 -0.204 0.000 0.865 460 Q CB -0.068 28.585 28.738 -0.140 0.000 0.922 460 Q HN 0.380 nan 8.270 nan 0.000 0.445 461 A N -0.133 122.610 122.820 -0.129 0.000 2.411 461 A HA 0.255 4.575 4.320 0.000 0.000 0.251 461 A C -0.060 177.494 177.584 -0.051 0.000 1.317 461 A CA -0.277 51.716 52.037 -0.073 0.000 0.904 461 A CB -0.013 18.960 19.000 -0.045 0.000 0.993 461 A HN 0.399 nan 8.150 nan 0.000 0.504 462 Q N 0.000 119.729 119.800 -0.118 0.000 2.315 462 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 462 Q CA 0.000 55.795 55.803 -0.013 0.000 1.022 462 Q CB 0.000 28.770 28.738 0.054 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481