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 2ohj_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKAAAKRISD GVYWTGVLDW DLRNYHGYTL QGTTYNAYLV CGDEGVALID DATA SEQUENCE NSYPGTFDEL MARVEDALQQ VGMERVDYII QNHVEKDHSG VLVELHRRFP DATA SEQUENCE EAPIYCTEVA VKGLLKHYPS LREAEFMTVK TGDVLDLGGK TLTFLETPLL DATA SEQUENCE HWPDSMFTLL DEDGILFSND AFGQHLCCPQ RLDREIPEYI LMDAARKFYA DATA SEQUENCE NLITPLSKLV LKKFDEVKEL GLLERIQMIA PSHGQIWTDP MKIIEAYTGW DATA SEQUENCE ATGMVDERVT VIYDTMHGST RKMAHAIAEG AMSEGVDVRV YCLHEDDRSE DATA SEQUENCE IVKDILESGA IALGAPTIYD EPYPSVGDLL MYLRGLKFNR TLTRKALVFG DATA SEQUENCE SMGGNGGATG TMKELLAEAG FDVACEEEVY YVPTGDELDA CFEAGRKLAA DATA SEQUENCE EIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.297 176.300 -0.005 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 K N 2.758 123.164 120.400 0.010 0.000 2.285 2 K HA 0.759 5.079 4.320 -0.000 0.000 0.286 2 K C -1.061 175.559 176.600 0.032 0.000 1.072 2 K CA -0.089 56.208 56.287 0.017 0.000 0.913 2 K CB 1.421 33.934 32.500 0.022 0.000 1.067 2 K HN 0.686 nan 8.250 nan 0.000 0.479 3 A N 2.027 124.866 122.820 0.032 0.000 2.518 3 A HA 0.542 4.862 4.320 -0.000 0.000 0.295 3 A C -1.246 176.373 177.584 0.058 0.000 1.052 3 A CA -0.716 51.355 52.037 0.057 0.000 0.824 3 A CB 1.103 20.127 19.000 0.041 0.000 1.325 3 A HN 0.619 nan 8.150 nan 0.000 0.394 4 A N 1.632 124.514 122.820 0.104 0.000 2.301 4 A HA 0.841 5.160 4.320 -0.000 0.000 0.312 4 A C 0.633 178.327 177.584 0.183 0.000 1.182 4 A CA 0.193 52.298 52.037 0.114 0.000 0.826 4 A CB 0.643 19.711 19.000 0.113 0.000 1.134 4 A HN 2.401 nan 8.150 nan 0.000 0.501 5 A N 1.788 124.700 122.820 0.152 0.000 2.351 5 A HA 0.578 4.898 4.320 -0.000 0.000 0.257 5 A C 0.279 178.076 177.584 0.355 0.000 1.087 5 A CA -0.232 51.950 52.037 0.243 0.000 0.798 5 A CB 0.218 19.296 19.000 0.130 0.000 1.033 5 A HN 0.895 nan 8.150 nan 0.000 0.488 6 K N 1.534 122.216 120.400 0.470 0.000 2.450 6 K HA 0.385 4.705 4.320 -0.000 0.000 0.257 6 K C -0.169 176.593 176.600 0.271 0.000 0.953 6 K CA -0.476 56.009 56.287 0.331 0.000 0.844 6 K CB 0.939 33.559 32.500 0.200 0.000 1.103 6 K HN 0.726 nan 8.250 nan 0.000 0.429 7 R N 4.171 124.747 120.500 0.127 0.000 2.449 7 R HA 0.084 4.424 4.340 -0.000 0.000 0.296 7 R C 0.045 176.265 176.300 -0.134 0.000 1.047 7 R CA 0.226 56.166 56.100 -0.267 0.000 1.018 7 R CB 0.391 30.516 30.300 -0.292 0.000 0.962 7 R HN 0.814 nan 8.270 nan 0.000 0.428 8 I N 1.447 121.925 120.570 -0.154 0.000 4.139 8 I HA 0.179 4.349 4.170 -0.000 0.000 0.320 8 I C 0.003 176.070 176.117 -0.085 0.000 1.290 8 I CA 0.634 61.905 61.300 -0.050 0.000 1.253 8 I CB 0.879 38.924 38.000 0.075 0.000 1.122 8 I HN 0.593 nan 8.210 nan 0.000 0.421 9 S N -1.189 114.428 115.700 -0.139 0.000 2.636 9 S HA 0.191 4.661 4.470 -0.000 0.000 0.266 9 S C -1.785 172.732 174.600 -0.139 0.000 1.147 9 S CA -0.838 57.298 58.200 -0.106 0.000 0.815 9 S CB 0.814 63.974 63.200 -0.067 0.000 1.119 9 S HN 0.129 nan 8.310 nan 0.000 0.470 10 D N 0.723 121.076 120.400 -0.077 0.000 2.412 10 D HA 0.442 5.082 4.640 -0.000 0.000 0.257 10 D C 1.221 177.512 176.300 -0.016 0.000 1.217 10 D CA 1.727 55.699 54.000 -0.047 0.000 0.897 10 D CB -0.022 40.768 40.800 -0.018 0.000 1.132 10 D HN 1.079 nan 8.370 nan 0.000 0.493 11 G N 2.537 111.347 108.800 0.017 0.000 2.155 11 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.257 11 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.257 11 G C 0.040 175.043 174.900 0.171 0.000 0.983 11 G CA 0.304 45.497 45.100 0.154 0.000 0.676 11 G HN 0.645 nan 8.290 nan 0.000 0.528 12 V N 0.359 120.239 119.914 -0.055 0.000 2.443 12 V HA 0.664 4.784 4.120 -0.000 0.000 0.293 12 V C -0.633 175.374 176.094 -0.145 0.000 1.021 12 V CA -1.003 61.320 62.300 0.039 0.000 0.848 12 V CB 1.281 33.157 31.823 0.089 0.000 0.998 12 V HN 0.268 nan 8.190 nan 0.000 0.424 13 Y N 2.030 122.453 120.300 0.205 0.000 2.425 13 Y HA 0.431 4.981 4.550 -0.000 0.000 0.344 13 Y C -0.327 175.750 175.900 0.296 0.000 0.969 13 Y CA -0.690 57.540 58.100 0.216 0.000 1.052 13 Y CB 1.820 40.352 38.460 0.121 0.000 1.215 13 Y HN 0.748 nan 8.280 nan 0.000 0.451 14 W N 4.395 125.840 121.300 0.240 0.000 2.304 14 W HA 0.388 5.048 4.660 -0.000 0.000 0.313 14 W C 0.087 176.616 176.519 0.017 0.000 1.323 14 W CA -0.181 57.195 57.345 0.051 0.000 1.223 14 W CB 0.947 30.422 29.460 0.026 0.000 1.237 14 W HN 0.538 nan 8.180 nan 0.000 0.535 15 T N 3.200 117.319 114.554 -0.725 0.000 3.697 15 T HA 0.448 4.798 4.350 -0.000 0.000 0.260 15 T C 0.203 174.299 174.700 -1.008 0.000 0.998 15 T CA -0.265 61.425 62.100 -0.683 0.000 1.128 15 T CB -0.339 68.348 68.868 -0.301 0.000 1.082 15 T HN 0.507 nan 8.240 nan 0.000 0.541 16 G N 0.632 108.241 108.800 -1.984 0.000 2.606 16 G HA2 0.679 4.639 3.960 -0.000 0.000 0.262 16 G HA3 0.679 4.639 3.960 -0.000 0.000 0.262 16 G C -1.131 173.365 174.900 -0.673 0.000 1.394 16 G CA -0.836 43.533 45.100 -1.218 0.000 1.044 16 G HN 0.457 nan 8.290 nan 0.000 0.553 17 V N 0.134 119.963 119.914 -0.143 0.000 2.588 17 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 17 V C -0.399 175.739 176.094 0.074 0.000 1.042 17 V CA -0.517 61.818 62.300 0.057 0.000 0.877 17 V CB 1.760 33.701 31.823 0.198 0.000 0.996 17 V HN 0.502 nan 8.190 nan 0.000 0.425 18 L N 3.804 125.045 121.223 0.030 0.000 2.268 18 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 18 L C -0.122 176.572 176.870 -0.292 0.000 1.064 18 L CA -0.214 54.477 54.840 -0.247 0.000 0.824 18 L CB 0.717 42.539 42.059 -0.395 0.000 1.202 18 L HN 0.570 nan 8.230 nan 0.000 0.433 19 D N 2.813 122.999 120.400 -0.358 0.000 2.524 19 D HA 0.074 4.714 4.640 -0.000 0.000 0.222 19 D C 0.677 176.872 176.300 -0.175 0.000 1.142 19 D CA -0.290 53.584 54.000 -0.209 0.000 0.973 19 D CB 0.373 41.007 40.800 -0.277 0.000 1.025 19 D HN 0.368 nan 8.370 nan 0.000 0.519 20 W N 1.228 122.507 121.300 -0.035 0.000 2.392 20 W HA -0.074 4.586 4.660 -0.000 0.000 0.279 20 W C 1.576 178.071 176.519 -0.039 0.000 1.225 20 W CA 0.263 57.592 57.345 -0.026 0.000 1.233 20 W CB 0.347 29.803 29.460 -0.007 0.000 1.122 20 W HN 0.300 nan 8.180 nan 0.000 0.561 21 D N -0.583 119.915 120.400 0.164 0.000 2.366 21 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 21 D C 0.599 176.891 176.300 -0.015 0.000 1.022 21 D CA 0.172 54.218 54.000 0.077 0.000 0.868 21 D CB -0.137 40.700 40.800 0.061 0.000 0.953 21 D HN -0.001 nan 8.370 nan 0.000 0.514 22 L N 1.958 123.128 121.223 -0.090 0.000 2.410 22 L HA 0.070 4.410 4.340 -0.000 0.000 0.273 22 L C 1.070 177.857 176.870 -0.139 0.000 1.152 22 L CA 0.433 55.154 54.840 -0.198 0.000 0.855 22 L CB 0.515 42.339 42.059 -0.391 0.000 1.129 22 L HN -0.246 nan 8.230 nan 0.000 0.463 23 R N 2.328 122.759 120.500 -0.114 0.000 2.435 23 R HA 0.313 4.653 4.340 -0.000 0.000 0.221 23 R C -0.360 175.940 176.300 -0.000 0.000 0.885 23 R CA -0.075 56.004 56.100 -0.035 0.000 1.018 23 R CB 0.060 30.354 30.300 -0.011 0.000 1.259 23 R HN 0.653 nan 8.270 nan 0.000 0.597 24 N N 0.388 119.076 118.700 -0.020 0.000 2.537 24 N HA 0.163 4.903 4.740 -0.000 0.000 0.281 24 N C -1.643 173.933 175.510 0.111 0.000 1.097 24 N CA -0.454 52.632 53.050 0.060 0.000 0.964 24 N CB 1.270 39.774 38.487 0.028 0.000 1.588 24 N HN 0.096 nan 8.380 nan 0.000 0.511 25 Y N -0.025 120.213 120.300 -0.103 0.000 2.732 25 Y HA 0.296 4.846 4.550 -0.000 0.000 0.342 25 Y C -0.185 175.653 175.900 -0.103 0.000 1.203 25 Y CA -1.024 56.960 58.100 -0.193 0.000 1.092 25 Y CB 0.820 39.046 38.460 -0.390 0.000 1.345 25 Y HN 0.665 nan 8.280 nan 0.000 0.458 26 H N 1.263 120.208 119.070 -0.209 0.000 3.047 26 H HA -0.166 4.390 4.556 -0.000 0.000 0.263 26 H C 1.211 176.503 175.328 -0.060 0.000 1.168 26 H CA 1.687 57.575 56.048 -0.268 0.000 1.152 26 H CB -1.309 28.100 29.762 -0.588 0.000 1.278 26 H HN 1.755 nan 8.280 nan 0.000 0.339 27 G N -0.845 108.007 108.800 0.088 0.000 2.141 27 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.231 27 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.231 27 G C -0.241 174.685 174.900 0.044 0.000 0.984 27 G CA 0.215 45.328 45.100 0.022 0.000 0.660 27 G HN 0.692 nan 8.290 nan 0.000 0.525 28 Y N 1.542 121.831 120.300 -0.018 0.000 2.421 28 Y HA 0.562 5.111 4.550 -0.000 0.000 0.339 28 Y C 0.519 176.444 175.900 0.042 0.000 0.996 28 Y CA -0.307 57.807 58.100 0.023 0.000 1.046 28 Y CB 1.675 40.170 38.460 0.057 0.000 1.226 28 Y HN 0.369 nan 8.280 nan 0.000 0.445 29 T N 5.020 119.677 114.554 0.172 0.000 2.913 29 T HA 0.723 5.073 4.350 -0.000 0.000 0.287 29 T C -0.544 174.331 174.700 0.292 0.000 1.008 29 T CA -0.517 61.683 62.100 0.167 0.000 1.067 29 T CB 1.579 70.472 68.868 0.042 0.000 0.996 29 T HN 0.786 nan 8.240 nan 0.000 0.513 30 L N -1.216 120.137 121.223 0.217 0.000 2.838 30 L HA 0.703 5.043 4.340 -0.000 0.000 0.266 30 L C -0.993 175.952 176.870 0.123 0.000 1.040 30 L CA -1.337 53.643 54.840 0.234 0.000 0.906 30 L CB 2.068 44.262 42.059 0.224 0.000 1.501 30 L HN 0.566 nan 8.230 nan 0.000 0.407 31 Q N 1.011 120.888 119.800 0.127 0.000 2.647 31 Q HA 0.629 4.969 4.340 -0.000 0.000 0.400 31 Q C -0.159 175.889 176.000 0.080 0.000 0.959 31 Q CA 0.679 56.540 55.803 0.097 0.000 1.079 31 Q CB 0.561 29.366 28.738 0.112 0.000 1.351 31 Q HN 1.247 nan 8.270 nan 0.000 0.411 32 G N 0.102 108.917 108.800 0.024 0.000 2.690 32 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.686 32 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.686 32 G C -0.530 174.329 174.900 -0.069 0.000 1.277 32 G CA -0.349 44.728 45.100 -0.038 0.000 0.799 32 G HN 0.479 nan 8.290 nan 0.000 0.613 33 T N -1.034 113.416 114.554 -0.173 0.000 2.681 33 T HA 0.925 5.275 4.350 -0.000 0.000 0.296 33 T C 0.115 174.635 174.700 -0.300 0.000 1.157 33 T CA 0.970 63.000 62.100 -0.118 0.000 1.025 33 T CB 1.615 70.502 68.868 0.031 0.000 1.441 33 T HN 2.213 nan 8.240 nan 0.000 0.504 34 T N 0.273 114.724 114.554 -0.171 0.000 2.907 34 T HA 0.703 5.053 4.350 -0.000 0.000 0.292 34 T C -1.679 172.879 174.700 -0.237 0.000 1.043 34 T CA -0.607 61.343 62.100 -0.250 0.000 1.003 34 T CB 1.102 69.970 68.868 -0.000 0.000 1.084 34 T HN 0.468 nan 8.240 nan 0.000 0.483 35 Y N 1.584 121.996 120.300 0.187 0.000 2.593 35 Y HA 0.431 4.981 4.550 -0.000 0.000 0.331 35 Y C 0.305 176.243 175.900 0.063 0.000 0.986 35 Y CA -1.610 56.567 58.100 0.128 0.000 1.262 35 Y CB 0.080 38.593 38.460 0.089 0.000 1.098 35 Y HN 0.537 nan 8.280 nan 0.000 0.506 36 N N 2.665 121.471 118.700 0.177 0.000 2.458 36 N HA 0.570 5.310 4.740 -0.000 0.000 0.270 36 N C -0.393 174.986 175.510 -0.218 0.000 1.102 36 N CA -0.097 52.954 53.050 0.002 0.000 0.967 36 N CB 1.586 40.201 38.487 0.213 0.000 1.078 36 N HN 0.672 nan 8.380 nan 0.000 0.471 37 A N 2.227 124.677 122.820 -0.616 0.000 2.454 37 A HA 0.775 5.095 4.320 -0.000 0.000 0.302 37 A C -1.672 175.487 177.584 -0.708 0.000 1.079 37 A CA -0.597 51.178 52.037 -0.436 0.000 0.731 37 A CB 1.182 20.040 19.000 -0.237 0.000 1.299 37 A HN 0.566 nan 8.150 nan 0.000 0.413 38 Y N -0.128 120.113 120.300 -0.099 0.000 2.421 38 Y HA 0.557 5.107 4.550 -0.000 0.000 0.339 38 Y C -0.611 175.225 175.900 -0.106 0.000 0.996 38 Y CA -0.544 57.517 58.100 -0.065 0.000 1.046 38 Y CB 2.203 40.612 38.460 -0.084 0.000 1.226 38 Y HN 0.623 nan 8.280 nan 0.000 0.445 39 L N 4.270 125.574 121.223 0.135 0.000 2.272 39 L HA 0.758 5.098 4.340 -0.000 0.000 0.289 39 L C -1.238 175.719 176.870 0.145 0.000 1.032 39 L CA -0.506 54.382 54.840 0.081 0.000 0.810 39 L CB 0.933 43.022 42.059 0.049 0.000 1.205 39 L HN 0.475 nan 8.230 nan 0.000 0.422 40 V N 4.262 124.211 119.914 0.058 0.000 2.409 40 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 40 V C -0.572 175.563 176.094 0.068 0.000 1.020 40 V CA -0.601 61.746 62.300 0.078 0.000 0.848 40 V CB 1.355 33.187 31.823 0.015 0.000 0.990 40 V HN 0.838 nan 8.190 nan 0.000 0.430 41 C N 4.288 123.649 119.300 0.101 0.000 2.298 41 C HA 0.860 5.320 4.460 -0.000 0.000 0.323 41 C C 1.059 176.089 174.990 0.066 0.000 1.284 41 C CA -0.606 58.459 59.018 0.079 0.000 1.577 41 C CB 0.371 28.172 27.740 0.101 0.000 2.249 41 C HN 1.050 nan 8.230 nan 0.000 0.497 42 G N 1.483 110.314 108.800 0.052 0.000 2.642 42 G HA2 0.376 4.336 3.960 -0.000 0.000 0.291 42 G HA3 0.376 4.336 3.960 -0.000 0.000 0.291 42 G C 0.226 175.150 174.900 0.039 0.000 1.345 42 G CA -0.153 44.971 45.100 0.041 0.000 1.043 42 G HN 0.602 nan 8.290 nan 0.000 0.528 43 D N -0.554 119.866 120.400 0.033 0.000 2.178 43 D HA -0.024 4.616 4.640 -0.000 0.000 0.202 43 D C 2.050 178.368 176.300 0.031 0.000 0.974 43 D CA 1.099 55.116 54.000 0.029 0.000 0.841 43 D CB 0.435 41.249 40.800 0.024 0.000 0.953 43 D HN 0.488 nan 8.370 nan 0.000 0.478 44 E N -0.509 119.716 120.200 0.041 0.000 2.279 44 E HA 0.241 4.591 4.350 -0.000 0.000 0.199 44 E C 1.259 177.893 176.600 0.056 0.000 0.893 44 E CA 0.294 56.722 56.400 0.048 0.000 0.978 44 E CB 0.046 29.784 29.700 0.063 0.000 0.964 44 E HN 0.084 nan 8.360 nan 0.000 0.486 45 G N 0.959 109.818 108.800 0.098 0.000 2.537 45 G HA2 0.526 4.486 3.960 -0.000 0.000 0.308 45 G HA3 0.526 4.486 3.960 -0.000 0.000 0.308 45 G C -1.121 173.842 174.900 0.106 0.000 1.237 45 G CA -0.437 44.741 45.100 0.131 0.000 0.968 45 G HN -0.038 nan 8.290 nan 0.000 0.481 46 V N 0.360 120.297 119.914 0.038 0.000 2.487 46 V HA 0.734 4.854 4.120 -0.000 0.000 0.298 46 V C 0.208 176.324 176.094 0.037 0.000 1.028 46 V CA -0.639 61.663 62.300 0.004 0.000 0.860 46 V CB 1.269 33.037 31.823 -0.092 0.000 0.991 46 V HN 1.142 nan 8.190 nan 0.000 0.427 47 A N 4.782 127.639 122.820 0.062 0.000 2.337 47 A HA 0.907 5.227 4.320 -0.000 0.000 0.329 47 A C -1.215 176.352 177.584 -0.029 0.000 1.146 47 A CA -0.575 51.495 52.037 0.055 0.000 0.800 47 A CB 1.445 20.464 19.000 0.032 0.000 1.220 47 A HN 0.794 nan 8.150 nan 0.000 0.472 48 L N 2.858 124.064 121.223 -0.028 0.000 2.305 48 L HA 0.629 4.969 4.340 -0.000 0.000 0.284 48 L C -0.969 175.893 176.870 -0.012 0.000 1.013 48 L CA -0.231 54.586 54.840 -0.038 0.000 0.819 48 L CB 0.930 42.964 42.059 -0.043 0.000 1.227 48 L HN 0.569 nan 8.230 nan 0.000 0.417 49 I N 5.762 126.304 120.570 -0.047 0.000 2.306 49 I HA 0.337 4.507 4.170 -0.000 0.000 0.288 49 I C -0.510 175.655 176.117 0.080 0.000 1.036 49 I CA -0.537 60.743 61.300 -0.032 0.000 1.221 49 I CB 0.366 38.184 38.000 -0.304 0.000 1.385 49 I HN 0.644 nan 8.210 nan 0.000 0.472 50 D N 4.096 124.570 120.400 0.124 0.000 10.448 50 D HA -0.210 4.430 4.640 -0.000 0.000 0.360 50 D C -0.471 175.894 176.300 0.109 0.000 3.024 50 D CA 1.113 55.215 54.000 0.170 0.000 2.424 50 D CB -0.075 40.877 40.800 0.253 0.000 1.149 50 D HN 0.862 nan 8.370 nan 0.000 1.024 51 N N -1.460 117.316 118.700 0.126 0.000 2.698 51 N HA 0.661 5.401 4.740 -0.000 0.000 0.186 51 N C -0.867 174.691 175.510 0.080 0.000 1.712 51 N CA 0.171 53.263 53.050 0.071 0.000 1.153 51 N CB 0.553 39.081 38.487 0.069 0.000 2.112 51 N HN 0.648 nan 8.380 nan 0.000 0.308 52 S N -2.967 112.753 115.700 0.035 0.000 2.672 52 S HA 0.343 4.813 4.470 -0.000 0.000 0.271 52 S C -1.511 173.003 174.600 -0.144 0.000 1.171 52 S CA -0.942 57.249 58.200 -0.016 0.000 0.817 52 S CB 0.415 63.664 63.200 0.080 0.000 1.150 52 S HN 0.499 nan 8.310 nan 0.000 0.478 53 Y N 2.581 122.589 120.300 -0.486 0.000 2.702 53 Y HA 0.299 4.849 4.550 -0.000 0.000 0.336 53 Y C -2.507 173.291 175.900 -0.171 0.000 1.235 53 Y CA -0.621 57.210 58.100 -0.447 0.000 1.492 53 Y CB 0.209 38.238 38.460 -0.717 0.000 1.308 53 Y HN 0.415 nan 8.280 nan 0.000 0.589 54 P HA 0.055 nan 4.420 nan 0.000 0.261 54 P C 0.340 177.589 177.300 -0.085 0.000 1.173 54 P CA 2.204 65.098 63.100 -0.343 0.000 0.760 54 P CB 0.332 31.763 31.700 -0.449 0.000 0.783 55 G N 2.243 111.044 108.800 0.002 0.000 2.176 55 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.232 55 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.232 55 G C 0.651 175.624 174.900 0.122 0.000 0.986 55 G CA 0.424 45.571 45.100 0.078 0.000 0.643 55 G HN 0.656 nan 8.290 nan 0.000 0.522 56 T N -2.247 112.386 114.554 0.132 0.000 3.134 56 T HA 0.434 4.784 4.350 -0.000 0.000 0.260 56 T C 1.601 176.373 174.700 0.121 0.000 1.027 56 T CA 0.674 62.855 62.100 0.135 0.000 0.913 56 T CB 0.006 68.970 68.868 0.159 0.000 1.046 56 T HN 0.523 nan 8.240 nan 0.000 0.553 57 F N 3.313 123.258 119.950 -0.007 0.000 2.091 57 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 57 F C 1.474 177.265 175.800 -0.016 0.000 1.103 57 F CA 1.705 59.691 58.000 -0.024 0.000 1.228 57 F CB -0.428 38.547 39.000 -0.042 0.000 0.984 57 F HN 0.107 nan 8.300 nan 0.000 0.477 58 D N 0.203 120.590 120.400 -0.021 0.000 2.116 58 D HA -0.230 4.410 4.640 -0.000 0.000 0.193 58 D C 2.234 178.448 176.300 -0.144 0.000 0.998 58 D CA 1.713 55.647 54.000 -0.110 0.000 0.836 58 D CB -0.500 40.308 40.800 0.014 0.000 0.951 58 D HN 0.540 nan 8.370 nan 0.000 0.449 59 E N -0.029 120.130 120.200 -0.070 0.000 2.031 59 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 59 E C 2.252 178.769 176.600 -0.138 0.000 0.994 59 E CA 0.538 56.903 56.400 -0.058 0.000 0.800 59 E CB -0.197 29.510 29.700 0.012 0.000 0.752 59 E HN 0.192 nan 8.360 nan 0.000 0.447 60 L N 0.383 121.505 121.223 -0.168 0.000 2.013 60 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 60 L C 2.426 179.125 176.870 -0.285 0.000 1.073 60 L CA 1.632 56.337 54.840 -0.225 0.000 0.753 60 L CB -0.235 41.726 42.059 -0.163 0.000 0.890 60 L HN 0.260 nan 8.230 nan 0.000 0.432 61 M N -0.461 118.870 119.600 -0.449 0.000 2.175 61 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 61 M C 2.460 178.617 176.300 -0.239 0.000 1.063 61 M CA 1.702 56.742 55.300 -0.435 0.000 1.119 61 M CB -1.558 30.574 32.600 -0.780 0.000 1.377 61 M HN 0.520 nan 8.290 nan 0.000 0.415 62 A N 0.309 123.008 122.820 -0.202 0.000 1.883 62 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 62 A C 2.323 179.850 177.584 -0.096 0.000 1.186 62 A CA 1.655 53.623 52.037 -0.116 0.000 0.624 62 A CB -0.589 18.364 19.000 -0.079 0.000 0.822 62 A HN 0.484 nan 8.150 nan 0.000 0.444 63 R N -0.830 119.601 120.500 -0.116 0.000 2.092 63 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 63 R C 2.009 178.235 176.300 -0.124 0.000 1.119 63 R CA 1.295 57.330 56.100 -0.108 0.000 0.970 63 R CB -0.516 29.678 30.300 -0.178 0.000 0.864 63 R HN 0.399 nan 8.270 nan 0.000 0.440 64 V N 1.383 121.212 119.914 -0.141 0.000 2.358 64 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 64 V C 1.962 177.996 176.094 -0.100 0.000 1.047 64 V CA 1.772 64.001 62.300 -0.119 0.000 1.035 64 V CB -0.365 31.407 31.823 -0.085 0.000 0.658 64 V HN 0.330 nan 8.190 nan 0.000 0.452 65 E N -0.167 119.987 120.200 -0.077 0.000 2.110 65 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 65 E C 1.953 178.504 176.600 -0.081 0.000 0.988 65 E CA 1.460 57.825 56.400 -0.058 0.000 0.804 65 E CB -0.188 29.485 29.700 -0.045 0.000 0.745 65 E HN 0.636 nan 8.360 nan 0.000 0.458 66 D N 0.497 120.846 120.400 -0.084 0.000 2.092 66 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 66 D C 1.904 178.104 176.300 -0.167 0.000 0.994 66 D CA 1.737 55.687 54.000 -0.084 0.000 0.828 66 D CB -0.100 40.675 40.800 -0.042 0.000 0.963 66 D HN 0.147 nan 8.370 nan 0.000 0.450 67 A N 0.191 122.862 122.820 -0.248 0.000 1.877 67 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 67 A C 2.511 179.810 177.584 -0.475 0.000 1.186 67 A CA 1.373 53.075 52.037 -0.559 0.000 0.620 67 A CB -1.045 17.646 19.000 -0.514 0.000 0.822 67 A HN 0.384 nan 8.150 nan 0.000 0.443 68 L N -0.702 120.365 121.223 -0.260 0.000 2.129 68 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 68 L C 2.912 179.705 176.870 -0.129 0.000 1.087 68 L CA 1.661 56.401 54.840 -0.167 0.000 0.757 68 L CB -0.408 41.590 42.059 -0.101 0.000 0.896 68 L HN 0.540 nan 8.230 nan 0.000 0.434 69 Q N -0.139 119.588 119.800 -0.122 0.000 2.187 69 Q HA -0.182 4.158 4.340 -0.000 0.000 0.199 69 Q C 2.091 178.046 176.000 -0.075 0.000 0.957 69 Q CA 1.317 57.074 55.803 -0.077 0.000 0.857 69 Q CB 0.136 28.840 28.738 -0.057 0.000 0.929 69 Q HN 0.610 nan 8.270 nan 0.000 0.453 70 Q N -0.233 119.492 119.800 -0.126 0.000 2.079 70 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 70 Q C 2.083 178.067 176.000 -0.028 0.000 0.974 70 Q CA 1.792 57.550 55.803 -0.075 0.000 0.840 70 Q CB 0.092 28.768 28.738 -0.103 0.000 0.898 70 Q HN 0.378 nan 8.270 nan 0.000 0.430 71 V N -3.518 116.346 119.914 -0.082 0.000 3.129 71 V HA 0.291 4.411 4.120 -0.000 0.000 0.259 71 V C 1.186 177.277 176.094 -0.005 0.000 1.116 71 V CA 0.799 63.100 62.300 0.003 0.000 1.127 71 V CB -0.476 31.363 31.823 0.027 0.000 0.742 71 V HN 0.428 nan 8.190 nan 0.000 0.474 72 G N 0.411 109.193 108.800 -0.029 0.000 2.182 72 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 72 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 72 G C -0.161 174.728 174.900 -0.019 0.000 1.042 72 G CA 0.518 45.608 45.100 -0.018 0.000 0.775 72 G HN 0.388 nan 8.290 nan 0.000 0.501 73 M N -0.696 118.883 119.600 -0.034 0.000 2.444 73 M HA 0.450 4.930 4.480 -0.000 0.000 0.319 73 M C 1.220 177.499 176.300 -0.036 0.000 1.183 73 M CA -0.472 54.807 55.300 -0.035 0.000 1.032 73 M CB 1.217 33.789 32.600 -0.046 0.000 1.569 73 M HN 0.205 nan 8.290 nan 0.000 0.468 74 E N 0.678 120.862 120.200 -0.028 0.000 2.251 74 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 74 E C 0.066 176.676 176.600 0.018 0.000 0.964 74 E CA 0.410 56.808 56.400 -0.004 0.000 0.868 74 E CB 0.753 30.455 29.700 0.004 0.000 0.828 74 E HN 0.528 nan 8.360 nan 0.000 0.481 75 R N -0.594 119.882 120.500 -0.041 0.000 2.739 75 R HA 0.455 4.795 4.340 -0.000 0.000 0.271 75 R C -1.143 174.931 176.300 -0.377 0.000 1.010 75 R CA -0.813 55.230 56.100 -0.094 0.000 0.897 75 R CB 1.089 31.415 30.300 0.043 0.000 1.236 75 R HN -0.208 nan 8.270 nan 0.000 0.466 76 V N 2.402 121.760 119.914 -0.927 0.000 2.508 76 V HA 0.039 4.159 4.120 -0.000 0.000 0.281 76 V C 0.250 175.971 176.094 -0.622 0.000 1.041 76 V CA 0.236 62.031 62.300 -0.842 0.000 1.016 76 V CB 1.132 32.253 31.823 -1.171 0.000 0.984 76 V HN 0.822 nan 8.190 nan 0.000 0.478 77 D N 2.750 122.868 120.400 -0.471 0.000 2.355 77 D HA 0.091 4.731 4.640 -0.000 0.000 0.206 77 D C -0.412 175.404 176.300 -0.805 0.000 1.010 77 D CA 1.029 54.635 54.000 -0.656 0.000 0.875 77 D CB 0.572 40.839 40.800 -0.889 0.000 0.966 77 D HN 0.585 nan 8.370 nan 0.000 0.512 78 Y N 0.081 120.343 120.300 -0.063 0.000 2.421 78 Y HA 0.449 4.999 4.550 -0.000 0.000 0.339 78 Y C -0.210 175.692 175.900 0.003 0.000 0.996 78 Y CA -0.793 57.311 58.100 0.006 0.000 1.046 78 Y CB 1.715 40.109 38.460 -0.110 0.000 1.226 78 Y HN -0.314 nan 8.280 nan 0.000 0.445 79 I N 5.003 125.712 120.570 0.232 0.000 2.330 79 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 79 I C -0.934 175.312 176.117 0.216 0.000 1.001 79 I CA -0.584 60.813 61.300 0.161 0.000 1.193 79 I CB 0.874 38.950 38.000 0.127 0.000 1.345 79 I HN 0.412 nan 8.210 nan 0.000 0.461 80 I N 6.012 126.683 120.570 0.169 0.000 2.377 80 I HA 0.279 4.449 4.170 -0.000 0.000 0.293 80 I C -0.077 176.150 176.117 0.183 0.000 0.987 80 I CA -0.364 61.058 61.300 0.203 0.000 1.185 80 I CB 1.498 39.613 38.000 0.192 0.000 1.341 80 I HN 0.449 nan 8.210 nan 0.000 0.455 81 Q N 4.623 124.543 119.800 0.199 0.000 2.454 81 Q HA 0.404 4.744 4.340 -0.000 0.000 0.255 81 Q C 0.193 176.320 176.000 0.212 0.000 1.034 81 Q CA -0.096 55.833 55.803 0.209 0.000 0.736 81 Q CB 0.573 29.433 28.738 0.203 0.000 1.210 81 Q HN 0.438 nan 8.270 nan 0.000 0.500 82 N N 1.742 120.576 118.700 0.224 0.000 2.396 82 N HA -0.036 4.703 4.740 -0.000 0.000 0.180 82 N C -0.469 175.103 175.510 0.104 0.000 1.028 82 N CA 0.799 53.921 53.050 0.119 0.000 0.893 82 N CB 0.100 38.566 38.487 -0.035 0.000 0.967 82 N HN 0.662 nan 8.380 nan 0.000 0.440 83 H N -4.140 114.993 119.070 0.105 0.000 3.037 83 H HA 0.214 4.770 4.556 -0.000 0.000 0.336 83 H C 0.697 176.078 175.328 0.088 0.000 1.323 83 H CA -1.036 55.061 56.048 0.081 0.000 1.159 83 H CB 0.475 30.259 29.762 0.036 0.000 1.882 83 H HN -0.223 nan 8.280 nan 0.000 0.535 84 V N -2.517 117.480 119.914 0.139 0.000 3.052 84 V HA 0.095 4.214 4.120 -0.000 0.000 0.254 84 V C 0.785 176.787 176.094 -0.153 0.000 1.100 84 V CA 0.681 62.974 62.300 -0.012 0.000 1.112 84 V CB -0.436 31.360 31.823 -0.045 0.000 0.738 84 V HN 0.682 nan 8.190 nan 0.000 0.469 85 E N 2.763 122.901 120.200 -0.104 0.000 3.131 85 E HA -0.173 4.177 4.350 -0.000 0.000 0.258 85 E C 1.493 178.017 176.600 -0.125 0.000 0.901 85 E CA 0.809 57.146 56.400 -0.106 0.000 0.964 85 E CB 0.693 30.358 29.700 -0.058 0.000 0.903 85 E HN 0.830 nan 8.360 nan 0.000 0.537 86 K N 3.573 123.911 120.400 -0.104 0.000 2.281 86 K HA -0.194 4.126 4.320 -0.000 0.000 0.203 86 K C 0.679 177.181 176.600 -0.163 0.000 1.046 86 K CA 1.330 57.560 56.287 -0.096 0.000 0.938 86 K CB 0.126 32.591 32.500 -0.059 0.000 0.737 86 K HN 0.208 nan 8.250 nan 0.000 0.458 87 D N 1.045 121.344 120.400 -0.168 0.000 2.182 87 D HA -0.154 4.485 4.640 -0.000 0.000 0.201 87 D C 1.391 177.321 176.300 -0.617 0.000 0.986 87 D CA 1.141 54.881 54.000 -0.433 0.000 0.847 87 D CB -0.008 40.522 40.800 -0.450 0.000 0.942 87 D HN 0.520 nan 8.370 nan 0.000 0.467 88 H N -2.085 116.927 119.070 -0.097 0.000 3.046 88 H HA 0.257 4.813 4.556 -0.000 0.000 0.262 88 H C 1.359 176.668 175.328 -0.031 0.000 1.044 88 H CA 0.675 56.675 56.048 -0.080 0.000 1.209 88 H CB 0.612 30.223 29.762 -0.251 0.000 1.507 88 H HN 0.116 nan 8.280 nan 0.000 0.507 89 S N -0.266 115.450 115.700 0.027 0.000 2.603 89 S HA 0.151 4.621 4.470 -0.000 0.000 0.232 89 S C 1.965 176.541 174.600 -0.040 0.000 1.016 89 S CA 0.251 58.481 58.200 0.050 0.000 0.976 89 S CB 0.230 63.511 63.200 0.135 0.000 0.921 89 S HN 0.245 nan 8.310 nan 0.000 0.516 90 G N 1.922 110.669 108.800 -0.088 0.000 2.470 90 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.220 90 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.220 90 G C 1.101 175.877 174.900 -0.206 0.000 1.121 90 G CA 1.193 46.196 45.100 -0.161 0.000 0.766 90 G HN 1.157 nan 8.290 nan 0.000 0.553 91 V N -1.979 117.850 119.914 -0.142 0.000 3.176 91 V HA 0.432 4.552 4.120 -0.000 0.000 0.332 91 V C 1.807 177.821 176.094 -0.133 0.000 1.414 91 V CA -0.244 61.993 62.300 -0.105 0.000 1.133 91 V CB 0.295 32.194 31.823 0.125 0.000 1.088 91 V HN 0.080 nan 8.190 nan 0.000 0.473 92 L N 0.847 121.936 121.223 -0.224 0.000 2.012 92 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 92 L C 2.402 179.158 176.870 -0.190 0.000 1.073 92 L CA 2.379 57.115 54.840 -0.174 0.000 0.748 92 L CB -0.516 41.421 42.059 -0.204 0.000 0.891 92 L HN 0.220 nan 8.230 nan 0.000 0.431 93 V N -0.045 119.664 119.914 -0.342 0.000 2.332 93 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 93 V C 2.500 178.466 176.094 -0.213 0.000 1.055 93 V CA 2.234 64.394 62.300 -0.233 0.000 1.038 93 V CB -0.690 30.970 31.823 -0.272 0.000 0.651 93 V HN 0.548 nan 8.190 nan 0.000 0.450 94 E N -0.300 119.686 120.200 -0.356 0.000 2.152 94 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 94 E C 2.200 178.499 176.600 -0.500 0.000 0.983 94 E CA 0.828 56.845 56.400 -0.639 0.000 0.818 94 E CB -0.131 28.843 29.700 -1.210 0.000 0.758 94 E HN 0.509 nan 8.360 nan 0.000 0.467 95 L N 0.234 121.379 121.223 -0.131 0.000 2.093 95 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 95 L C 2.574 179.511 176.870 0.111 0.000 1.085 95 L CA 1.115 56.050 54.840 0.158 0.000 0.755 95 L CB -0.300 41.910 42.059 0.253 0.000 0.904 95 L HN 0.204 nan 8.230 nan 0.000 0.435 96 H N 0.047 119.085 119.070 -0.053 0.000 2.395 96 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 96 H C 2.386 177.662 175.328 -0.086 0.000 1.070 96 H CA 1.450 57.465 56.048 -0.054 0.000 1.356 96 H CB 0.112 29.816 29.762 -0.098 0.000 1.401 96 H HN 0.042 nan 8.280 nan 0.000 0.524 97 R N -0.239 120.101 120.500 -0.266 0.000 2.081 97 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 97 R C 2.210 178.321 176.300 -0.315 0.000 1.131 97 R CA 1.414 57.327 56.100 -0.312 0.000 0.960 97 R CB -0.017 30.130 30.300 -0.254 0.000 0.856 97 R HN 0.148 nan 8.270 nan 0.000 0.436 98 R N -0.133 120.171 120.500 -0.326 0.000 2.073 98 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 98 R C -0.109 175.737 176.300 -0.756 0.000 1.120 98 R CA 1.349 57.131 56.100 -0.530 0.000 0.967 98 R CB 0.039 30.020 30.300 -0.532 0.000 0.862 98 R HN 0.100 nan 8.270 nan 0.000 0.436 99 F N -0.026 119.876 119.950 -0.079 0.000 2.531 99 F HA 0.405 4.932 4.527 -0.000 0.000 0.333 99 F C -1.817 173.903 175.800 -0.134 0.000 1.292 99 F CA -2.587 55.364 58.000 -0.083 0.000 1.184 99 F CB 1.810 40.783 39.000 -0.044 0.000 1.426 99 F HN -0.024 nan 8.300 nan 0.000 0.559 100 P HA -0.136 nan 4.420 nan 0.000 0.222 100 P C 1.094 178.366 177.300 -0.046 0.000 1.147 100 P CA 1.278 64.237 63.100 -0.235 0.000 0.790 100 P CB 0.354 31.926 31.700 -0.213 0.000 0.780 101 E N -0.833 119.374 120.200 0.011 0.000 2.489 101 E HA 0.158 4.508 4.350 -0.000 0.000 0.193 101 E C 0.731 177.346 176.600 0.024 0.000 1.057 101 E CA 0.001 56.413 56.400 0.021 0.000 0.866 101 E CB -0.193 29.509 29.700 0.004 0.000 0.916 101 E HN 0.128 nan 8.360 nan 0.000 0.500 102 A N 3.157 126.011 122.820 0.057 0.000 2.269 102 A HA 0.446 4.766 4.320 -0.000 0.000 0.302 102 A C -2.373 175.268 177.584 0.095 0.000 1.266 102 A CA -1.440 50.619 52.037 0.037 0.000 0.894 102 A CB 0.248 19.269 19.000 0.034 0.000 1.147 102 A HN -0.142 nan 8.150 nan 0.000 0.537 103 P HA 0.271 nan 4.420 nan 0.000 0.272 103 P C -0.637 176.729 177.300 0.110 0.000 1.230 103 P CA -0.002 63.147 63.100 0.081 0.000 0.788 103 P CB 0.524 32.306 31.700 0.137 0.000 0.949 104 I N 2.098 122.605 120.570 -0.105 0.000 2.321 104 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 104 I C -0.307 175.836 176.117 0.043 0.000 0.998 104 I CA -0.492 60.787 61.300 -0.035 0.000 1.227 104 I CB 0.430 38.247 38.000 -0.305 0.000 1.368 104 I HN 0.284 nan 8.210 nan 0.000 0.466 105 Y N 6.150 126.478 120.300 0.047 0.000 2.335 105 Y HA 0.527 5.077 4.550 -0.000 0.000 0.339 105 Y C 0.333 176.198 175.900 -0.058 0.000 0.987 105 Y CA -0.350 57.725 58.100 -0.041 0.000 1.140 105 Y CB 1.348 39.753 38.460 -0.092 0.000 1.173 105 Y HN 0.735 nan 8.280 nan 0.000 0.486 106 C N -0.341 118.959 119.300 0.001 0.000 3.259 106 C HA 0.637 5.097 4.460 -0.000 0.000 0.344 106 C C 0.074 175.036 174.990 -0.048 0.000 1.401 106 C CA -1.020 58.006 59.018 0.015 0.000 1.219 106 C CB 0.762 28.575 27.740 0.122 0.000 1.521 106 C HN 0.881 nan 8.230 nan 0.000 0.455 107 T N -1.297 113.245 114.554 -0.021 0.000 2.856 107 T HA 0.204 4.554 4.350 -0.000 0.000 0.306 107 T C 0.967 175.637 174.700 -0.049 0.000 1.062 107 T CA 0.898 62.978 62.100 -0.033 0.000 1.083 107 T CB 0.745 69.610 68.868 -0.004 0.000 0.984 107 T HN 1.055 nan 8.240 nan 0.000 0.542 108 E N 0.581 120.745 120.200 -0.060 0.000 2.070 108 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 108 E C 1.895 178.448 176.600 -0.078 0.000 1.004 108 E CA 1.635 57.987 56.400 -0.079 0.000 0.805 108 E CB -0.241 29.422 29.700 -0.062 0.000 0.744 108 E HN 0.589 nan 8.360 nan 0.000 0.451 109 V N 1.282 121.170 119.914 -0.044 0.000 2.407 109 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 109 V C 2.542 178.621 176.094 -0.025 0.000 1.055 109 V CA 1.719 64.002 62.300 -0.029 0.000 1.049 109 V CB -0.743 31.078 31.823 -0.004 0.000 0.662 109 V HN 0.441 nan 8.190 nan 0.000 0.455 110 A N -0.352 122.460 122.820 -0.013 0.000 2.015 110 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 110 A C 2.348 179.906 177.584 -0.043 0.000 1.163 110 A CA 1.746 53.789 52.037 0.011 0.000 0.646 110 A CB -0.476 18.557 19.000 0.055 0.000 0.806 110 A HN 0.363 nan 8.150 nan 0.000 0.448 111 V N 0.828 120.648 119.914 -0.157 0.000 2.295 111 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 111 V C 2.485 178.415 176.094 -0.273 0.000 1.049 111 V CA 2.108 64.169 62.300 -0.398 0.000 1.024 111 V CB -0.637 30.822 31.823 -0.606 0.000 0.648 111 V HN 0.472 nan 8.190 nan 0.000 0.447 112 K N 1.224 121.524 120.400 -0.167 0.000 2.063 112 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 112 K C 2.240 178.815 176.600 -0.042 0.000 1.048 112 K CA 1.710 57.936 56.287 -0.101 0.000 0.928 112 K CB -1.418 31.038 32.500 -0.072 0.000 0.713 112 K HN 0.514 nan 8.250 nan 0.000 0.442 113 G N 1.394 110.192 108.800 -0.002 0.000 2.408 113 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 113 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 113 G C 1.717 176.704 174.900 0.145 0.000 1.150 113 G CA 0.404 45.553 45.100 0.080 0.000 0.776 113 G HN 0.161 nan 8.290 nan 0.000 0.542 114 L N -0.094 121.175 121.223 0.078 0.000 2.044 114 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 114 L C 2.889 179.852 176.870 0.154 0.000 1.075 114 L CA 0.425 55.355 54.840 0.152 0.000 0.747 114 L CB -0.399 41.811 42.059 0.251 0.000 0.903 114 L HN 0.156 nan 8.230 nan 0.000 0.435 115 L N -0.176 121.084 121.223 0.062 0.000 2.042 115 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 115 L C 2.688 179.564 176.870 0.009 0.000 1.076 115 L CA 1.229 56.096 54.840 0.045 0.000 0.749 115 L CB -0.464 41.574 42.059 -0.035 0.000 0.893 115 L HN 0.211 nan 8.230 nan 0.000 0.432 116 K N -0.218 120.166 120.400 -0.028 0.000 2.057 116 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 116 K C 1.996 178.475 176.600 -0.201 0.000 1.049 116 K CA 1.593 57.820 56.287 -0.101 0.000 0.931 116 K CB -0.198 32.227 32.500 -0.126 0.000 0.714 116 K HN 0.312 nan 8.250 nan 0.000 0.440 117 H N -2.080 116.796 119.070 -0.323 0.000 2.389 117 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 117 H C -0.111 174.841 175.328 -0.627 0.000 1.081 117 H CA 1.647 57.312 56.048 -0.638 0.000 1.345 117 H CB 0.075 29.113 29.762 -1.208 0.000 1.393 117 H HN 0.124 nan 8.280 nan 0.000 0.520 118 Y N -1.513 118.862 120.300 0.125 0.000 2.628 118 Y HA 0.286 4.836 4.550 -0.000 0.000 0.354 118 Y C -2.060 173.871 175.900 0.052 0.000 1.061 118 Y CA -3.146 54.995 58.100 0.069 0.000 1.251 118 Y CB 1.024 39.522 38.460 0.062 0.000 1.098 118 Y HN 0.025 nan 8.280 nan 0.000 0.626 119 P HA -0.186 nan 4.420 nan 0.000 0.219 119 P C 1.690 179.043 177.300 0.090 0.000 1.146 119 P CA 1.982 65.129 63.100 0.078 0.000 0.808 119 P CB 0.291 32.013 31.700 0.038 0.000 0.779 120 S N -0.726 115.033 115.700 0.099 0.000 2.469 120 S HA -0.098 4.372 4.470 -0.000 0.000 0.238 120 S C 1.755 176.396 174.600 0.069 0.000 0.998 120 S CA 0.814 59.058 58.200 0.074 0.000 0.957 120 S CB -1.524 61.712 63.200 0.061 0.000 0.764 120 S HN 0.116 nan 8.310 nan 0.000 0.514 121 L N 1.661 122.945 121.223 0.102 0.000 2.551 121 L HA 0.023 4.363 4.340 -0.000 0.000 0.228 121 L C 2.716 179.682 176.870 0.161 0.000 1.153 121 L CA 0.930 55.817 54.840 0.079 0.000 0.851 121 L CB -0.584 41.600 42.059 0.208 0.000 0.959 121 L HN 0.552 nan 8.230 nan 0.000 0.451 122 R N 0.313 120.897 120.500 0.141 0.000 2.293 122 R HA -0.171 4.169 4.340 -0.000 0.000 0.219 122 R C 1.776 178.135 176.300 0.099 0.000 1.091 122 R CA 1.154 57.335 56.100 0.136 0.000 1.004 122 R CB -0.316 30.028 30.300 0.073 0.000 0.865 122 R HN 0.305 nan 8.270 nan 0.000 0.469 123 E N 1.459 121.689 120.200 0.050 0.000 2.474 123 E HA 0.102 4.452 4.350 -0.000 0.000 0.194 123 E C -0.294 176.291 176.600 -0.026 0.000 1.041 123 E CA 0.247 56.668 56.400 0.035 0.000 0.874 123 E CB 0.361 30.097 29.700 0.060 0.000 0.914 123 E HN 0.441 nan 8.360 nan 0.000 0.498 124 A N 1.124 123.824 122.820 -0.199 0.000 2.302 124 A HA 0.247 4.567 4.320 -0.000 0.000 0.285 124 A C -0.041 177.360 177.584 -0.305 0.000 1.105 124 A CA -0.434 51.303 52.037 -0.501 0.000 0.816 124 A CB 0.608 18.995 19.000 -1.022 0.000 1.067 124 A HN 0.243 nan 8.150 nan 0.000 0.489 125 E N 0.769 120.814 120.200 -0.257 0.000 2.259 125 E HA 0.382 4.732 4.350 -0.000 0.000 0.281 125 E C -1.623 174.785 176.600 -0.319 0.000 1.037 125 E CA 0.002 56.308 56.400 -0.156 0.000 0.854 125 E CB 0.332 30.001 29.700 -0.051 0.000 1.051 125 E HN 0.422 nan 8.360 nan 0.000 0.409 126 F N 3.769 123.667 119.950 -0.087 0.000 2.458 126 F HA 0.346 4.873 4.527 -0.000 0.000 0.336 126 F C 0.355 176.031 175.800 -0.206 0.000 1.114 126 F CA -0.854 57.068 58.000 -0.129 0.000 0.987 126 F CB 1.385 40.325 39.000 -0.100 0.000 1.130 126 F HN 0.255 nan 8.300 nan 0.000 0.458 127 M N 3.694 123.167 119.600 -0.212 0.000 2.055 127 M HA 0.206 4.686 4.480 -0.000 0.000 0.346 127 M C -0.094 176.010 176.300 -0.327 0.000 1.074 127 M CA -0.489 54.559 55.300 -0.421 0.000 1.009 127 M CB 0.931 32.875 32.600 -1.094 0.000 1.423 127 M HN 0.653 nan 8.290 nan 0.000 0.410 128 T N 1.177 115.637 114.554 -0.157 0.000 2.913 128 T HA 0.585 4.935 4.350 -0.000 0.000 0.297 128 T C 0.199 174.815 174.700 -0.140 0.000 1.029 128 T CA -0.662 61.365 62.100 -0.123 0.000 1.104 128 T CB 1.005 69.822 68.868 -0.084 0.000 0.964 128 T HN 0.525 nan 8.240 nan 0.000 0.532 129 V N 0.458 120.282 119.914 -0.150 0.000 2.876 129 V HA 0.847 4.967 4.120 -0.000 0.000 0.312 129 V C -0.525 175.535 176.094 -0.057 0.000 1.085 129 V CA -1.396 60.816 62.300 -0.147 0.000 0.945 129 V CB 1.552 33.115 31.823 -0.433 0.000 1.017 129 V HN 1.286 nan 8.190 nan 0.000 0.428 130 K N 1.034 121.443 120.400 0.014 0.000 2.313 130 K HA 0.654 4.974 4.320 -0.000 0.000 0.235 130 K C -0.266 176.397 176.600 0.105 0.000 1.035 130 K CA -0.629 55.684 56.287 0.043 0.000 0.868 130 K CB 1.557 34.075 32.500 0.030 0.000 1.232 130 K HN 0.544 nan 8.250 nan 0.000 0.459 131 T N 0.769 115.376 114.554 0.088 0.000 2.831 131 T HA 0.238 4.588 4.350 -0.000 0.000 0.291 131 T C 1.072 175.834 174.700 0.105 0.000 0.981 131 T CA 1.463 63.626 62.100 0.105 0.000 1.174 131 T CB -0.026 68.881 68.868 0.064 0.000 0.929 131 T HN 0.926 nan 8.240 nan 0.000 0.532 132 G N 3.720 112.598 108.800 0.130 0.000 2.213 132 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.226 132 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.226 132 G C -0.107 174.869 174.900 0.127 0.000 0.992 132 G CA -0.425 44.736 45.100 0.102 0.000 0.632 132 G HN 0.655 nan 8.290 nan 0.000 0.511 133 D N 0.583 121.104 120.400 0.202 0.000 2.414 133 D HA 0.489 5.129 4.640 -0.000 0.000 0.242 133 D C 0.509 176.999 176.300 0.317 0.000 1.129 133 D CA 0.373 54.533 54.000 0.266 0.000 0.885 133 D CB 1.841 42.822 40.800 0.302 0.000 1.198 133 D HN 0.242 nan 8.370 nan 0.000 0.437 134 V N 2.083 122.124 119.914 0.212 0.000 2.864 134 V HA 0.438 4.558 4.120 -0.000 0.000 0.314 134 V C -0.550 175.597 176.094 0.088 0.000 1.073 134 V CA -0.936 61.395 62.300 0.051 0.000 0.956 134 V CB 2.221 34.045 31.823 0.001 0.000 1.023 134 V HN 0.298 nan 8.190 nan 0.000 0.435 135 L N 2.890 124.057 121.223 -0.094 0.000 2.427 135 L HA 0.593 4.933 4.340 -0.000 0.000 0.264 135 L C -0.691 176.052 176.870 -0.212 0.000 0.989 135 L CA -0.156 54.584 54.840 -0.168 0.000 0.865 135 L CB 1.229 43.096 42.059 -0.321 0.000 1.209 135 L HN 0.712 nan 8.230 nan 0.000 0.430 136 D N 3.521 123.836 120.400 -0.142 0.000 2.383 136 D HA 0.191 4.831 4.640 -0.000 0.000 0.252 136 D C 0.620 176.857 176.300 -0.105 0.000 1.166 136 D CA 0.319 54.260 54.000 -0.098 0.000 0.879 136 D CB 0.987 41.762 40.800 -0.042 0.000 1.164 136 D HN 0.636 nan 8.370 nan 0.000 0.462 137 L N 2.654 123.838 121.223 -0.064 0.000 2.693 137 L HA 0.371 4.711 4.340 -0.000 0.000 0.235 137 L C 0.949 177.835 176.870 0.027 0.000 1.127 137 L CA 0.058 54.897 54.840 -0.002 0.000 0.914 137 L CB 0.004 42.063 42.059 0.001 0.000 1.193 137 L HN 0.701 nan 8.230 nan 0.000 0.502 138 G N -0.038 108.768 108.800 0.010 0.000 3.081 138 G HA2 0.125 4.085 3.960 -0.000 0.000 0.603 138 G HA3 0.125 4.085 3.960 -0.000 0.000 0.603 138 G C 0.677 175.583 174.900 0.010 0.000 1.106 138 G CA -0.187 44.922 45.100 0.015 0.000 1.001 138 G HN 0.493 nan 8.290 nan 0.000 0.445 139 G N 0.630 109.431 108.800 0.003 0.000 2.184 139 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.264 139 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.264 139 G C 0.363 175.260 174.900 -0.005 0.000 0.975 139 G CA 1.477 46.577 45.100 0.000 0.000 0.642 139 G HN 1.303 nan 8.290 nan 0.000 0.536 140 K N 0.192 120.586 120.400 -0.010 0.000 2.498 140 K HA 0.615 4.935 4.320 -0.000 0.000 0.254 140 K C -0.587 175.987 176.600 -0.044 0.000 0.933 140 K CA -0.083 56.193 56.287 -0.020 0.000 0.806 140 K CB 2.239 34.736 32.500 -0.005 0.000 1.301 140 K HN 0.365 nan 8.250 nan 0.000 0.432 141 T N -0.182 114.335 114.554 -0.062 0.000 2.886 141 T HA 0.524 4.874 4.350 -0.000 0.000 0.292 141 T C -0.524 174.090 174.700 -0.144 0.000 1.012 141 T CA -0.897 61.142 62.100 -0.101 0.000 0.982 141 T CB 0.615 69.433 68.868 -0.084 0.000 1.018 141 T HN 0.325 nan 8.240 nan 0.000 0.451 142 L N 3.072 124.152 121.223 -0.240 0.000 2.276 142 L HA 0.495 4.835 4.340 -0.000 0.000 0.286 142 L C 0.400 176.937 176.870 -0.556 0.000 1.061 142 L CA -0.673 53.932 54.840 -0.392 0.000 0.807 142 L CB 1.323 43.071 42.059 -0.518 0.000 1.177 142 L HN 0.757 nan 8.230 nan 0.000 0.429 143 T N 2.835 117.124 114.554 -0.442 0.000 2.795 143 T HA 0.552 4.902 4.350 -0.000 0.000 0.282 143 T C -0.429 174.034 174.700 -0.395 0.000 0.980 143 T CA -0.281 61.614 62.100 -0.340 0.000 1.012 143 T CB 0.641 69.440 68.868 -0.115 0.000 0.936 143 T HN 0.068 nan 8.240 nan 0.000 0.457 144 F N 2.655 122.652 119.950 0.079 0.000 2.422 144 F HA 0.672 5.199 4.527 -0.000 0.000 0.333 144 F C -0.041 175.818 175.800 0.099 0.000 1.095 144 F CA -1.348 56.715 58.000 0.103 0.000 1.038 144 F CB 1.138 40.199 39.000 0.101 0.000 1.156 144 F HN 0.259 nan 8.300 nan 0.000 0.483 145 L N 2.846 124.251 121.223 0.304 0.000 2.446 145 L HA 0.459 4.799 4.340 -0.000 0.000 0.268 145 L C -0.709 176.212 176.870 0.084 0.000 0.975 145 L CA -0.461 54.487 54.840 0.180 0.000 0.848 145 L CB 1.401 43.574 42.059 0.189 0.000 1.225 145 L HN 0.588 nan 8.230 nan 0.000 0.410 146 E N 2.487 122.711 120.200 0.040 0.000 2.415 146 E HA 0.293 4.643 4.350 -0.000 0.000 0.263 146 E C -0.222 176.297 176.600 -0.136 0.000 0.995 146 E CA 0.546 56.932 56.400 -0.022 0.000 0.915 146 E CB 0.492 30.187 29.700 -0.007 0.000 0.951 146 E HN 0.644 nan 8.360 nan 0.000 0.449 147 T N 0.175 114.622 114.554 -0.178 0.000 3.504 147 T HA 0.217 4.567 4.350 -0.000 0.000 0.286 147 T C -2.135 172.499 174.700 -0.110 0.000 1.530 147 T CA -1.595 60.342 62.100 -0.272 0.000 1.652 147 T CB 0.758 69.259 68.868 -0.612 0.000 0.895 147 T HN 0.197 nan 8.240 nan 0.000 0.674 148 P HA -0.004 nan 4.420 nan 0.000 0.217 148 P C 1.005 178.265 177.300 -0.066 0.000 1.150 148 P CA 0.499 63.585 63.100 -0.024 0.000 0.832 148 P CB -0.046 31.629 31.700 -0.042 0.000 0.787 149 L N -1.906 119.213 121.223 -0.173 0.000 3.742 149 L HA -0.266 4.074 4.340 -0.000 0.000 0.431 149 L C 1.349 178.032 176.870 -0.312 0.000 1.220 149 L CA 0.316 54.977 54.840 -0.297 0.000 0.863 149 L CB -2.011 39.757 42.059 -0.485 0.000 1.751 149 L HN -0.011 nan 8.230 nan 0.000 0.922 150 L N -1.270 119.804 121.223 -0.249 0.000 3.419 150 L HA -0.409 3.931 4.340 -0.000 0.000 0.211 150 L C 1.313 177.971 176.870 -0.353 0.000 4.425 150 L CA 2.852 57.483 54.840 -0.348 0.000 0.584 150 L CB -0.864 40.916 42.059 -0.465 0.000 3.534 150 L HN 0.549 nan 8.230 nan 0.000 0.751 151 H N -2.660 116.378 119.070 -0.053 0.000 2.528 151 H HA 0.240 4.796 4.556 -0.000 0.000 0.282 151 H C -0.349 175.217 175.328 0.397 0.000 1.097 151 H CA 0.407 56.514 56.048 0.098 0.000 1.121 151 H CB 0.050 29.852 29.762 0.067 0.000 1.590 151 H HN 0.453 nan 8.280 nan 0.000 0.553 152 W N 2.091 123.419 121.300 0.048 0.000 1.505 152 W HA 0.328 4.988 4.660 -0.000 0.000 0.300 152 W C -1.955 174.577 176.519 0.022 0.000 0.826 152 W CA -2.745 54.628 57.345 0.047 0.000 2.485 152 W CB 0.331 29.816 29.460 0.041 0.000 2.163 152 W HN 0.046 nan 8.180 nan 0.000 0.518 153 P HA -0.171 nan 4.420 nan 0.000 0.222 153 P C 1.166 178.518 177.300 0.087 0.000 1.147 153 P CA 1.798 64.960 63.100 0.103 0.000 0.790 153 P CB 0.203 31.945 31.700 0.070 0.000 0.780 154 D N -0.309 120.157 120.400 0.111 0.000 2.317 154 D HA -0.052 4.588 4.640 -0.000 0.000 0.211 154 D C 0.797 177.163 176.300 0.108 0.000 0.966 154 D CA 0.254 54.310 54.000 0.093 0.000 0.876 154 D CB -0.378 40.480 40.800 0.097 0.000 0.927 154 D HN 0.204 nan 8.370 nan 0.000 0.519 155 S N 0.470 116.257 115.700 0.145 0.000 2.603 155 S HA 0.453 4.923 4.470 -0.000 0.000 0.268 155 S C 0.252 174.891 174.600 0.066 0.000 1.317 155 S CA -0.720 57.561 58.200 0.135 0.000 1.012 155 S CB 1.166 64.501 63.200 0.225 0.000 0.926 155 S HN 0.408 nan 8.310 nan 0.000 0.539 156 M N 0.140 119.780 119.600 0.066 0.000 2.644 156 M HA 0.667 5.147 4.480 -0.000 0.000 0.273 156 M C -1.966 174.482 176.300 0.248 0.000 1.253 156 M CA -0.971 54.374 55.300 0.076 0.000 0.852 156 M CB 1.259 33.940 32.600 0.136 0.000 1.708 156 M HN 0.424 nan 8.290 nan 0.000 0.471 157 F N 0.748 120.791 119.950 0.155 0.000 2.399 157 F HA 0.677 5.204 4.527 -0.000 0.000 0.334 157 F C 0.206 176.130 175.800 0.206 0.000 1.097 157 F CA -0.755 57.343 58.000 0.163 0.000 1.076 157 F CB 1.963 41.051 39.000 0.147 0.000 1.162 157 F HN 0.591 nan 8.300 nan 0.000 0.495 158 T N 4.332 119.125 114.554 0.399 0.000 2.823 158 T HA 0.616 4.966 4.350 -0.000 0.000 0.279 158 T C -1.213 173.611 174.700 0.207 0.000 0.998 158 T CA -0.492 61.763 62.100 0.259 0.000 0.994 158 T CB 1.623 70.639 68.868 0.248 0.000 0.960 158 T HN 0.407 nan 8.240 nan 0.000 0.448 159 L N 3.848 125.095 121.223 0.039 0.000 2.385 159 L HA 0.800 5.140 4.340 -0.000 0.000 0.273 159 L C -1.728 175.119 176.870 -0.038 0.000 0.990 159 L CA -0.973 53.864 54.840 -0.005 0.000 0.821 159 L CB 1.717 43.766 42.059 -0.017 0.000 1.279 159 L HN 0.544 nan 8.230 nan 0.000 0.412 160 L N 3.860 125.063 121.223 -0.033 0.000 2.324 160 L HA 0.531 4.871 4.340 -0.000 0.000 0.274 160 L C 0.003 176.832 176.870 -0.069 0.000 1.012 160 L CA 0.275 55.100 54.840 -0.025 0.000 0.859 160 L CB 1.029 43.136 42.059 0.079 0.000 1.224 160 L HN 0.717 nan 8.230 nan 0.000 0.429 161 D N 1.145 121.505 120.400 -0.066 0.000 2.277 161 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 161 D C 1.065 177.329 176.300 -0.059 0.000 0.962 161 D CA 0.808 54.768 54.000 -0.066 0.000 0.865 161 D CB 0.476 41.242 40.800 -0.056 0.000 0.939 161 D HN 0.545 nan 8.370 nan 0.000 0.510 162 E N 0.341 120.512 120.200 -0.048 0.000 2.418 162 E HA -0.064 4.286 4.350 -0.000 0.000 0.197 162 E C 0.478 177.051 176.600 -0.046 0.000 1.026 162 E CA 0.762 57.138 56.400 -0.040 0.000 0.862 162 E CB 0.077 29.760 29.700 -0.028 0.000 0.799 162 E HN 0.444 nan 8.360 nan 0.000 0.518 163 D N -1.366 118.998 120.400 -0.059 0.000 2.473 163 D HA 0.180 4.820 4.640 -0.000 0.000 0.230 163 D C 0.934 177.171 176.300 -0.104 0.000 1.097 163 D CA 0.705 54.661 54.000 -0.073 0.000 0.861 163 D CB 0.811 41.569 40.800 -0.069 0.000 1.114 163 D HN 0.145 nan 8.370 nan 0.000 0.500 164 G N 1.104 109.835 108.800 -0.115 0.000 2.149 164 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.235 164 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.235 164 G C -0.039 174.739 174.900 -0.204 0.000 1.018 164 G CA -0.239 44.777 45.100 -0.140 0.000 0.728 164 G HN 0.333 nan 8.290 nan 0.000 0.508 165 I N 0.349 120.764 120.570 -0.258 0.000 2.321 165 I HA 0.442 4.612 4.170 -0.000 0.000 0.291 165 I C 0.222 176.015 176.117 -0.541 0.000 0.998 165 I CA -1.033 60.000 61.300 -0.445 0.000 1.227 165 I CB 1.488 39.136 38.000 -0.586 0.000 1.368 165 I HN 0.073 nan 8.210 nan 0.000 0.466 166 L N 7.952 128.860 121.223 -0.525 0.000 2.260 166 L HA 0.426 4.766 4.340 -0.000 0.000 0.289 166 L C -0.980 175.524 176.870 -0.610 0.000 1.057 166 L CA 0.219 54.783 54.840 -0.460 0.000 0.811 166 L CB 0.245 42.081 42.059 -0.372 0.000 1.184 166 L HN 0.234 nan 8.230 nan 0.000 0.429 167 F N 3.670 123.500 119.950 -0.199 0.000 2.375 167 F HA 0.249 4.776 4.527 -0.000 0.000 0.362 167 F C 1.299 177.026 175.800 -0.122 0.000 1.129 167 F CA -0.192 57.697 58.000 -0.184 0.000 1.154 167 F CB 0.752 39.667 39.000 -0.142 0.000 1.205 167 F HN 0.646 nan 8.300 nan 0.000 0.513 168 S N 1.951 117.633 115.700 -0.030 0.000 2.583 168 S HA 0.159 4.629 4.470 -0.000 0.000 0.239 168 S C 0.648 175.351 174.600 0.171 0.000 0.966 168 S CA -0.086 57.969 58.200 -0.242 0.000 0.973 168 S CB -1.209 61.848 63.200 -0.238 0.000 0.794 168 S HN 0.842 nan 8.310 nan 0.000 0.463 169 N N 2.115 120.899 118.700 0.140 0.000 1.129 169 N HA -0.348 4.392 4.740 -0.000 0.000 0.117 169 N C -0.022 175.571 175.510 0.139 0.000 0.722 169 N CA 1.942 54.941 53.050 -0.085 0.000 0.850 169 N CB -1.615 36.511 38.487 -0.602 0.000 1.124 169 N HN 0.158 nan 8.380 nan 0.000 0.607 170 D N -0.150 120.380 120.400 0.218 0.000 2.277 170 D HA 0.279 4.919 4.640 -0.000 0.000 0.208 170 D C 0.432 176.988 176.300 0.428 0.000 0.962 170 D CA 1.144 55.357 54.000 0.355 0.000 0.865 170 D CB -0.559 40.414 40.800 0.288 0.000 0.939 170 D HN 0.807 nan 8.370 nan 0.000 0.510 171 A N -0.068 123.042 122.820 0.483 0.000 2.567 171 A HA 0.149 4.469 4.320 -0.000 0.000 0.240 171 A C 0.014 177.552 177.584 -0.076 0.000 1.053 171 A CA 0.038 52.160 52.037 0.140 0.000 0.755 171 A CB -0.498 18.474 19.000 -0.045 0.000 0.978 171 A HN 0.292 nan 8.150 nan 0.000 0.507 172 F N -0.640 119.407 119.950 0.162 0.000 2.794 172 F HA -0.217 4.310 4.527 -0.000 0.000 0.335 172 F C 1.306 177.240 175.800 0.223 0.000 0.653 172 F CA 0.695 58.703 58.000 0.013 0.000 1.266 172 F CB -1.952 36.928 39.000 -0.199 0.000 1.666 172 F HN 0.927 nan 8.300 nan 0.000 0.314 173 G N -0.093 108.681 108.800 -0.043 0.000 2.606 173 G HA2 0.504 4.464 3.960 -0.000 0.000 0.252 173 G HA3 0.504 4.464 3.960 -0.000 0.000 0.252 173 G C -0.358 174.067 174.900 -0.792 0.000 1.206 173 G CA -0.106 44.708 45.100 -0.477 0.000 0.861 173 G HN 0.281 nan 8.290 nan 0.000 0.561 174 Q N -0.723 118.806 119.800 -0.451 0.000 2.320 174 Q HA 0.267 4.607 4.340 -0.000 0.000 0.272 174 Q C -1.271 174.731 176.000 0.002 0.000 1.023 174 Q CA -0.790 54.955 55.803 -0.096 0.000 0.855 174 Q CB 1.595 30.398 28.738 0.109 0.000 1.367 174 Q HN 0.583 nan 8.270 nan 0.000 0.406 175 H N 2.520 121.787 119.070 0.329 0.000 3.109 175 H HA 0.387 4.943 4.556 -0.000 0.000 0.266 175 H C -0.770 174.644 175.328 0.143 0.000 1.334 175 H CA 0.164 56.334 56.048 0.203 0.000 1.456 175 H CB -0.238 29.640 29.762 0.192 0.000 1.587 175 H HN 0.418 nan 8.280 nan 0.000 0.500 176 L N 1.772 123.092 121.223 0.162 0.000 2.422 176 L HA 0.302 4.642 4.340 -0.000 0.000 0.264 176 L C -0.442 176.400 176.870 -0.045 0.000 0.984 176 L CA -0.679 54.199 54.840 0.063 0.000 0.819 176 L CB 2.774 44.847 42.059 0.024 0.000 1.330 176 L HN 0.460 nan 8.230 nan 0.000 0.410 177 C N 2.954 122.189 119.300 -0.108 0.000 2.335 177 C HA 0.748 5.208 4.460 -0.000 0.000 0.318 177 C C -0.227 174.554 174.990 -0.349 0.000 1.150 177 C CA -0.530 58.291 59.018 -0.328 0.000 1.466 177 C CB -0.913 26.548 27.740 -0.464 0.000 2.024 177 C HN 0.875 nan 8.230 nan 0.000 0.429 178 C N 6.508 125.617 119.300 -0.318 0.000 2.707 178 C HA 0.536 4.996 4.460 -0.000 0.000 0.313 178 C C -1.091 173.786 174.990 -0.187 0.000 1.209 178 C CA -0.774 58.150 59.018 -0.157 0.000 1.635 178 C CB 1.966 29.647 27.740 -0.099 0.000 2.206 178 C HN 0.661 nan 8.230 nan 0.000 0.485 179 P HA -0.050 nan 4.420 nan 0.000 0.219 179 P C -0.202 177.034 177.300 -0.106 0.000 1.150 179 P CA 1.100 64.211 63.100 0.018 0.000 0.814 179 P CB 0.112 31.895 31.700 0.138 0.000 0.787 180 Q N -0.311 119.427 119.800 -0.104 0.000 2.304 180 Q HA 0.166 4.506 4.340 -0.000 0.000 0.260 180 Q C 1.319 177.176 176.000 -0.239 0.000 0.965 180 Q CA 0.210 55.928 55.803 -0.142 0.000 0.898 180 Q CB 0.497 29.178 28.738 -0.094 0.000 1.196 180 Q HN -0.016 nan 8.270 nan 0.000 0.402 181 R N 1.429 121.760 120.500 -0.282 0.000 2.189 181 R HA 0.199 4.539 4.340 -0.000 0.000 0.203 181 R C 0.055 176.188 176.300 -0.280 0.000 1.012 181 R CA 0.385 56.254 56.100 -0.385 0.000 1.015 181 R CB 0.079 30.101 30.300 -0.462 0.000 0.938 181 R HN 0.529 nan 8.270 nan 0.000 0.472 182 L N 1.769 122.866 121.223 -0.210 0.000 2.344 182 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 182 L C 1.394 178.135 176.870 -0.214 0.000 1.035 182 L CA -0.722 54.005 54.840 -0.189 0.000 0.807 182 L CB 1.178 43.161 42.059 -0.127 0.000 1.237 182 L HN 0.014 nan 8.230 nan 0.000 0.442 183 D N 1.371 121.609 120.400 -0.269 0.000 2.149 183 D HA -0.252 4.388 4.640 -0.000 0.000 0.198 183 D C 1.557 177.770 176.300 -0.145 0.000 0.990 183 D CA 1.555 55.364 54.000 -0.317 0.000 0.839 183 D CB -0.145 40.413 40.800 -0.402 0.000 0.948 183 D HN 0.653 nan 8.370 nan 0.000 0.460 184 R N 0.293 120.739 120.500 -0.089 0.000 2.299 184 R HA 0.181 4.521 4.340 -0.000 0.000 0.197 184 R C 1.263 177.541 176.300 -0.037 0.000 0.971 184 R CA 0.436 56.512 56.100 -0.039 0.000 1.030 184 R CB -0.321 29.964 30.300 -0.024 0.000 0.932 184 R HN 0.151 nan 8.270 nan 0.000 0.477 185 E N 1.323 121.487 120.200 -0.059 0.000 2.474 185 E HA 0.157 4.507 4.350 -0.000 0.000 0.195 185 E C 0.446 177.025 176.600 -0.035 0.000 1.039 185 E CA -0.057 56.314 56.400 -0.047 0.000 0.881 185 E CB 0.358 30.019 29.700 -0.065 0.000 0.970 185 E HN 0.498 nan 8.360 nan 0.000 0.486 186 I N -2.737 117.811 120.570 -0.037 0.000 2.957 186 I HA 0.541 4.711 4.170 -0.000 0.000 0.310 186 I C -2.688 173.440 176.117 0.019 0.000 1.063 186 I CA -3.241 58.052 61.300 -0.012 0.000 1.033 186 I CB 1.270 39.253 38.000 -0.028 0.000 1.230 186 I HN -0.346 nan 8.210 nan 0.000 0.447 187 P HA 0.011 nan 4.420 nan 0.000 0.261 187 P C 0.484 177.849 177.300 0.108 0.000 1.183 187 P CA 0.130 63.282 63.100 0.087 0.000 0.761 187 P CB 0.514 32.283 31.700 0.115 0.000 0.785 188 E N 2.746 123.014 120.200 0.114 0.000 2.130 188 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 188 E C 1.319 178.017 176.600 0.164 0.000 0.998 188 E CA 1.581 58.058 56.400 0.129 0.000 0.806 188 E CB -0.222 29.552 29.700 0.123 0.000 0.738 188 E HN 0.584 nan 8.360 nan 0.000 0.459 189 Y N 0.764 121.121 120.300 0.096 0.000 2.224 189 Y HA -0.172 4.378 4.550 -0.000 0.000 0.289 189 Y C 2.194 178.170 175.900 0.127 0.000 1.146 189 Y CA 1.704 59.871 58.100 0.112 0.000 1.182 189 Y CB -0.166 38.349 38.460 0.091 0.000 0.983 189 Y HN -0.009 nan 8.280 nan 0.000 0.524 190 I N -0.798 119.887 120.570 0.191 0.000 2.202 190 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 190 I C 2.310 178.464 176.117 0.061 0.000 1.091 190 I CA 1.080 62.456 61.300 0.128 0.000 1.368 190 I CB -0.461 37.637 38.000 0.164 0.000 1.058 190 I HN 0.308 nan 8.210 nan 0.000 0.410 191 L N 0.430 121.694 121.223 0.067 0.000 1.990 191 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 191 L C 2.400 179.375 176.870 0.175 0.000 1.072 191 L CA 2.138 57.017 54.840 0.065 0.000 0.755 191 L CB -0.460 41.611 42.059 0.020 0.000 0.889 191 L HN 0.150 nan 8.230 nan 0.000 0.432 192 M N -1.130 118.571 119.600 0.170 0.000 2.200 192 M HA -0.130 4.350 4.480 -0.000 0.000 0.265 192 M C 2.040 178.451 176.300 0.185 0.000 1.066 192 M CA 1.426 56.879 55.300 0.255 0.000 1.127 192 M CB -1.437 31.283 32.600 0.200 0.000 1.379 192 M HN 0.348 nan 8.290 nan 0.000 0.420 193 D N 0.281 120.647 120.400 -0.057 0.000 2.144 193 D HA -0.014 4.626 4.640 -0.000 0.000 0.200 193 D C 1.902 178.249 176.300 0.079 0.000 0.978 193 D CA 1.406 55.351 54.000 -0.091 0.000 0.833 193 D CB 0.240 40.828 40.800 -0.354 0.000 0.961 193 D HN 0.272 nan 8.370 nan 0.000 0.470 194 A N 0.275 123.181 122.820 0.144 0.000 1.930 194 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 194 A C 2.285 180.080 177.584 0.351 0.000 1.175 194 A CA 1.765 53.952 52.037 0.249 0.000 0.627 194 A CB -0.802 18.336 19.000 0.230 0.000 0.815 194 A HN 0.270 nan 8.150 nan 0.000 0.443 195 A N -0.016 123.038 122.820 0.390 0.000 1.902 195 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 195 A C 2.248 180.065 177.584 0.388 0.000 1.181 195 A CA 1.699 54.070 52.037 0.557 0.000 0.623 195 A CB -0.504 18.973 19.000 0.795 0.000 0.818 195 A HN 0.573 nan 8.150 nan 0.000 0.443 196 R N -0.044 120.528 120.500 0.120 0.000 2.073 196 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 196 R C 2.258 178.420 176.300 -0.230 0.000 1.134 196 R CA 2.025 57.829 56.100 -0.494 0.000 0.952 196 R CB -0.319 29.872 30.300 -0.181 0.000 0.850 196 R HN 0.500 nan 8.270 nan 0.000 0.433 197 K N -0.517 119.897 120.400 0.023 0.000 2.097 197 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 197 K C 1.942 178.679 176.600 0.228 0.000 1.049 197 K CA 1.603 57.926 56.287 0.060 0.000 0.933 197 K CB -0.262 32.273 32.500 0.057 0.000 0.717 197 K HN 0.184 nan 8.250 nan 0.000 0.442 198 F N 0.244 120.356 119.950 0.270 0.000 2.102 198 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 198 F C 2.128 178.050 175.800 0.203 0.000 1.105 198 F CA 1.625 59.839 58.000 0.357 0.000 1.239 198 F CB -0.371 38.809 39.000 0.301 0.000 0.991 198 F HN 0.099 nan 8.300 nan 0.000 0.474 199 Y N 0.411 120.840 120.300 0.215 0.000 2.128 199 Y HA -0.271 4.279 4.550 -0.000 0.000 0.284 199 Y C 2.409 178.210 175.900 -0.165 0.000 1.154 199 Y CA 1.806 59.854 58.100 -0.086 0.000 1.149 199 Y CB -0.780 37.391 38.460 -0.481 0.000 0.976 199 Y HN 0.102 nan 8.280 nan 0.000 0.505 200 A N 0.407 123.248 122.820 0.035 0.000 1.883 200 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 200 A C 2.053 179.592 177.584 -0.075 0.000 1.186 200 A CA 2.116 54.169 52.037 0.027 0.000 0.624 200 A CB -0.801 18.233 19.000 0.058 0.000 0.822 200 A HN 0.646 nan 8.150 nan 0.000 0.444 201 N N -0.943 117.741 118.700 -0.027 0.000 2.376 201 N HA 0.099 4.839 4.740 -0.000 0.000 0.177 201 N C 1.377 176.829 175.510 -0.096 0.000 1.024 201 N CA 1.021 54.066 53.050 -0.007 0.000 0.893 201 N CB 0.139 38.749 38.487 0.204 0.000 0.980 201 N HN 0.467 nan 8.380 nan 0.000 0.439 202 L N -0.231 120.901 121.223 -0.151 0.000 2.685 202 L HA 0.253 4.593 4.340 -0.000 0.000 0.235 202 L C 1.474 178.271 176.870 -0.122 0.000 1.070 202 L CA 0.161 54.927 54.840 -0.124 0.000 0.888 202 L CB 0.431 42.339 42.059 -0.252 0.000 1.203 202 L HN -0.018 nan 8.230 nan 0.000 0.499 203 I N -1.286 119.046 120.570 -0.397 0.000 3.790 203 I HA 0.011 4.181 4.170 -0.000 0.000 0.305 203 I C 2.241 177.930 176.117 -0.713 0.000 1.253 203 I CA 0.584 61.466 61.300 -0.697 0.000 1.355 203 I CB -0.922 36.304 38.000 -1.289 0.000 1.137 203 I HN 0.068 nan 8.210 nan 0.000 0.435 204 T N 3.782 117.967 114.554 -0.615 0.000 2.594 204 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 204 T C -0.373 174.128 174.700 -0.332 0.000 1.070 204 T CA 2.189 64.052 62.100 -0.396 0.000 1.166 204 T CB -1.690 66.816 68.868 -0.603 0.000 0.862 204 T HN 0.288 nan 8.240 nan 0.000 0.436 205 P HA 0.082 nan 4.420 nan 0.000 0.226 205 P C 1.033 178.208 177.300 -0.209 0.000 1.153 205 P CA 0.862 63.819 63.100 -0.238 0.000 0.777 205 P CB -0.318 31.268 31.700 -0.191 0.000 0.794 206 L N -1.245 119.810 121.223 -0.279 0.000 2.628 206 L HA 0.170 4.510 4.340 -0.000 0.000 0.229 206 L C 2.142 178.846 176.870 -0.278 0.000 1.137 206 L CA 0.007 54.657 54.840 -0.317 0.000 0.909 206 L CB -0.743 41.025 42.059 -0.485 0.000 1.137 206 L HN -0.132 nan 8.230 nan 0.000 0.470 207 S N 0.966 116.548 115.700 -0.198 0.000 2.372 207 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 207 S C 1.960 176.498 174.600 -0.104 0.000 1.044 207 S CA 1.690 59.841 58.200 -0.081 0.000 1.050 207 S CB -0.112 63.106 63.200 0.031 0.000 0.901 207 S HN 0.491 nan 8.310 nan 0.000 0.447 208 K N 0.604 120.938 120.400 -0.109 0.000 2.155 208 K HA 0.085 4.405 4.320 -0.000 0.000 0.203 208 K C 1.976 178.494 176.600 -0.137 0.000 1.052 208 K CA 0.710 56.938 56.287 -0.099 0.000 0.948 208 K CB -0.307 32.146 32.500 -0.078 0.000 0.728 208 K HN 0.257 nan 8.250 nan 0.000 0.448 209 L N 0.592 121.708 121.223 -0.179 0.000 2.093 209 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 209 L C 2.261 178.980 176.870 -0.252 0.000 1.085 209 L CA 0.816 55.532 54.840 -0.208 0.000 0.755 209 L CB -0.387 41.522 42.059 -0.249 0.000 0.904 209 L HN -0.066 nan 8.230 nan 0.000 0.435 210 V N -0.194 119.537 119.914 -0.306 0.000 2.427 210 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 210 V C 2.320 178.050 176.094 -0.607 0.000 1.051 210 V CA 1.593 63.628 62.300 -0.442 0.000 1.048 210 V CB -0.309 31.282 31.823 -0.386 0.000 0.666 210 V HN 0.344 nan 8.190 nan 0.000 0.456 211 L N -0.673 120.338 121.223 -0.353 0.000 2.056 211 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 211 L C 2.547 179.377 176.870 -0.068 0.000 1.078 211 L CA 1.595 56.322 54.840 -0.188 0.000 0.749 211 L CB -0.592 41.436 42.059 -0.051 0.000 0.901 211 L HN 0.252 nan 8.230 nan 0.000 0.433 212 K N 0.051 120.398 120.400 -0.088 0.000 2.063 212 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 212 K C 2.177 178.770 176.600 -0.011 0.000 1.048 212 K CA 1.300 57.562 56.287 -0.042 0.000 0.928 212 K CB -0.056 32.403 32.500 -0.068 0.000 0.713 212 K HN -0.044 nan 8.250 nan 0.000 0.442 213 K N 0.509 120.875 120.400 -0.057 0.000 2.097 213 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 213 K C 1.708 178.446 176.600 0.230 0.000 1.050 213 K CA 1.233 57.532 56.287 0.020 0.000 0.938 213 K CB -0.215 32.247 32.500 -0.063 0.000 0.718 213 K HN -0.051 nan 8.250 nan 0.000 0.442 214 F N 1.811 121.818 119.950 0.096 0.000 2.120 214 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 214 F C 1.849 177.686 175.800 0.061 0.000 1.095 214 F CA 1.406 59.468 58.000 0.103 0.000 1.249 214 F CB -1.051 38.012 39.000 0.104 0.000 0.995 214 F HN 0.156 nan 8.300 nan 0.000 0.480 215 D N -0.266 120.274 120.400 0.234 0.000 2.144 215 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 215 D C 2.253 178.610 176.300 0.095 0.000 0.978 215 D CA 1.023 55.100 54.000 0.127 0.000 0.833 215 D CB -0.350 40.499 40.800 0.082 0.000 0.961 215 D HN 0.400 nan 8.370 nan 0.000 0.470 216 E N 0.415 120.672 120.200 0.096 0.000 2.047 216 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 216 E C 2.111 178.762 176.600 0.085 0.000 0.987 216 E CA 0.603 57.046 56.400 0.071 0.000 0.799 216 E CB 0.236 29.967 29.700 0.052 0.000 0.752 216 E HN -0.008 nan 8.360 nan 0.000 0.449 217 V N 1.702 121.693 119.914 0.128 0.000 2.332 217 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 217 V C 2.531 178.667 176.094 0.070 0.000 1.055 217 V CA 2.247 64.621 62.300 0.123 0.000 1.038 217 V CB -0.552 31.380 31.823 0.182 0.000 0.651 217 V HN 0.271 nan 8.190 nan 0.000 0.450 218 K N 0.204 120.642 120.400 0.063 0.000 2.057 218 K HA -0.245 4.075 4.320 -0.000 0.000 0.206 218 K C 2.168 178.782 176.600 0.024 0.000 1.050 218 K CA 1.813 58.117 56.287 0.028 0.000 0.935 218 K CB -0.093 32.423 32.500 0.027 0.000 0.715 218 K HN 0.422 nan 8.250 nan 0.000 0.439 219 E N 0.872 121.092 120.200 0.033 0.000 2.204 219 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 219 E C 1.579 178.192 176.600 0.022 0.000 0.989 219 E CA 0.971 57.386 56.400 0.024 0.000 0.824 219 E CB -0.088 29.628 29.700 0.026 0.000 0.756 219 E HN 0.388 nan 8.360 nan 0.000 0.477 220 L N -0.673 120.568 121.223 0.029 0.000 2.610 220 L HA 0.185 4.525 4.340 -0.000 0.000 0.232 220 L C 1.270 178.150 176.870 0.016 0.000 1.149 220 L CA 0.364 55.220 54.840 0.027 0.000 0.872 220 L CB -0.338 41.745 42.059 0.039 0.000 0.992 220 L HN 0.394 nan 8.230 nan 0.000 0.447 221 G N 0.471 109.277 108.800 0.010 0.000 2.246 221 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.273 221 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.273 221 G C 0.561 175.456 174.900 -0.009 0.000 1.055 221 G CA 0.355 45.454 45.100 -0.002 0.000 0.851 221 G HN 0.391 nan 8.290 nan 0.000 0.500 222 L N -0.988 120.233 121.223 -0.003 0.000 2.609 222 L HA 0.313 4.653 4.340 -0.000 0.000 0.230 222 L C 2.565 179.414 176.870 -0.034 0.000 1.087 222 L CA -0.367 54.467 54.840 -0.011 0.000 0.874 222 L CB -0.245 41.824 42.059 0.016 0.000 1.114 222 L HN 0.288 nan 8.230 nan 0.000 0.488 223 L N 0.948 122.149 121.223 -0.038 0.000 2.027 223 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 223 L C 2.142 178.952 176.870 -0.099 0.000 1.074 223 L CA 2.104 56.899 54.840 -0.076 0.000 0.745 223 L CB -0.377 41.634 42.059 -0.080 0.000 0.898 223 L HN 0.306 nan 8.230 nan 0.000 0.433 224 E N -0.032 120.120 120.200 -0.080 0.000 2.268 224 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 224 E C 1.336 177.883 176.600 -0.088 0.000 0.995 224 E CA 0.576 56.926 56.400 -0.084 0.000 0.836 224 E CB -0.232 29.429 29.700 -0.065 0.000 0.763 224 E HN 0.333 nan 8.360 nan 0.000 0.491 225 R N 0.524 120.974 120.500 -0.084 0.000 2.823 225 R HA 0.181 4.521 4.340 -0.000 0.000 0.250 225 R C -0.359 175.870 176.300 -0.119 0.000 1.332 225 R CA -0.051 55.995 56.100 -0.090 0.000 1.259 225 R CB -0.367 29.887 30.300 -0.075 0.000 1.225 225 R HN 0.043 nan 8.270 nan 0.000 0.545 226 I N 1.177 121.662 120.570 -0.140 0.000 2.282 226 I HA 0.098 4.268 4.170 -0.000 0.000 0.290 226 I C 0.336 176.347 176.117 -0.177 0.000 1.090 226 I CA 0.032 61.222 61.300 -0.183 0.000 1.231 226 I CB 0.952 38.815 38.000 -0.229 0.000 1.434 226 I HN 0.151 nan 8.210 nan 0.000 0.487 227 Q N 5.597 125.295 119.800 -0.170 0.000 2.378 227 Q HA 0.331 4.671 4.340 -0.000 0.000 0.229 227 Q C -0.048 175.859 176.000 -0.155 0.000 0.882 227 Q CA 0.573 56.288 55.803 -0.147 0.000 0.936 227 Q CB 0.795 29.460 28.738 -0.122 0.000 1.092 227 Q HN 0.654 nan 8.270 nan 0.000 0.535 228 M N 0.561 120.041 119.600 -0.199 0.000 2.322 228 M HA 0.406 4.886 4.480 -0.000 0.000 0.285 228 M C -1.835 174.303 176.300 -0.269 0.000 1.119 228 M CA -0.276 54.905 55.300 -0.199 0.000 0.953 228 M CB 2.000 34.478 32.600 -0.203 0.000 1.701 228 M HN -0.113 nan 8.290 nan 0.000 0.479 229 I N 3.698 124.154 120.570 -0.190 0.000 2.339 229 I HA 0.539 4.708 4.170 -0.000 0.000 0.290 229 I C -0.099 175.972 176.117 -0.076 0.000 0.994 229 I CA -0.613 60.566 61.300 -0.202 0.000 1.191 229 I CB 1.835 39.666 38.000 -0.280 0.000 1.343 229 I HN 0.778 nan 8.210 nan 0.000 0.458 230 A N 9.295 131.976 122.820 -0.232 0.000 2.511 230 A HA 0.654 4.974 4.320 -0.000 0.000 0.340 230 A C -2.537 175.085 177.584 0.064 0.000 1.396 230 A CA -1.460 50.478 52.037 -0.165 0.000 0.887 230 A CB -0.074 18.529 19.000 -0.660 0.000 1.145 230 A HN 0.345 nan 8.150 nan 0.000 0.497 231 P HA 0.288 nan 4.420 nan 0.000 0.282 231 P C 0.655 178.149 177.300 0.324 0.000 1.287 231 P CA -0.316 62.940 63.100 0.260 0.000 0.792 231 P CB 1.064 32.918 31.700 0.258 0.000 1.163 232 S N -2.153 113.672 115.700 0.207 0.000 2.527 232 S HA 0.044 4.514 4.470 -0.000 0.000 0.222 232 S C 0.363 174.908 174.600 -0.092 0.000 0.985 232 S CA 0.493 58.740 58.200 0.079 0.000 0.921 232 S CB -0.533 62.564 63.200 -0.173 0.000 0.772 232 S HN 0.463 nan 8.310 nan 0.000 0.529 233 H N -0.481 118.726 119.070 0.227 0.000 2.771 233 H HA 0.502 5.058 4.556 -0.000 0.000 0.361 233 H C 0.656 175.998 175.328 0.023 0.000 1.108 233 H CA 0.085 56.224 56.048 0.151 0.000 1.201 233 H CB 1.377 31.204 29.762 0.109 0.000 1.681 233 H HN 0.315 nan 8.280 nan 0.000 0.534 234 G N 2.308 111.185 108.800 0.128 0.000 2.542 234 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.235 234 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.235 234 G C -0.642 174.191 174.900 -0.111 0.000 1.286 234 G CA -0.690 44.402 45.100 -0.014 0.000 0.904 234 G HN 0.513 nan 8.290 nan 0.000 0.577 235 Q N -0.149 119.500 119.800 -0.252 0.000 2.373 235 Q HA 0.564 4.904 4.340 -0.000 0.000 0.255 235 Q C 0.697 176.431 176.000 -0.443 0.000 0.980 235 Q CA -0.149 55.428 55.803 -0.377 0.000 0.882 235 Q CB 0.859 29.296 28.738 -0.500 0.000 1.249 235 Q HN 0.556 nan 8.270 nan 0.000 0.438 236 I N 1.306 121.694 120.570 -0.304 0.000 2.441 236 I HA 0.070 4.240 4.170 -0.000 0.000 0.287 236 I C -0.229 175.717 176.117 -0.284 0.000 1.049 236 I CA -0.256 60.927 61.300 -0.196 0.000 1.381 236 I CB 0.503 38.476 38.000 -0.044 0.000 1.409 236 I HN 0.401 nan 8.210 nan 0.000 0.523 237 W N 5.638 126.878 121.300 -0.100 0.000 2.507 237 W HA 0.179 4.839 4.660 -0.000 0.000 0.334 237 W C 1.603 178.030 176.519 -0.153 0.000 1.165 237 W CA -0.465 56.799 57.345 -0.135 0.000 1.460 237 W CB 0.530 29.870 29.460 -0.200 0.000 1.404 237 W HN 0.586 nan 8.180 nan 0.000 0.435 238 T N -2.353 112.241 114.554 0.066 0.000 3.067 238 T HA -0.094 4.256 4.350 -0.000 0.000 0.261 238 T C 0.372 175.080 174.700 0.013 0.000 1.110 238 T CA 0.525 62.628 62.100 0.005 0.000 1.113 238 T CB 0.018 68.870 68.868 -0.026 0.000 0.917 238 T HN 0.182 nan 8.240 nan 0.000 0.499 239 D N 2.446 122.895 120.400 0.082 0.000 2.514 239 D HA 0.332 4.972 4.640 -0.000 0.000 0.267 239 D C -1.713 174.564 176.300 -0.040 0.000 1.165 239 D CA -2.659 51.356 54.000 0.025 0.000 0.958 239 D CB 1.563 42.397 40.800 0.057 0.000 0.992 239 D HN 0.083 nan 8.370 nan 0.000 0.506 240 P HA -0.127 nan 4.420 nan 0.000 0.217 240 P C 1.706 178.711 177.300 -0.492 0.000 1.150 240 P CA 0.600 63.477 63.100 -0.372 0.000 0.832 240 P CB 0.218 31.699 31.700 -0.365 0.000 0.787 241 M N -0.197 119.199 119.600 -0.340 0.000 2.279 241 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 241 M C 2.101 178.209 176.300 -0.321 0.000 1.062 241 M CA 1.413 56.521 55.300 -0.320 0.000 1.099 241 M CB -1.353 31.114 32.600 -0.220 0.000 1.394 241 M HN 0.011 nan 8.290 nan 0.000 0.426 242 K N 0.160 120.382 120.400 -0.297 0.000 2.026 242 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 242 K C 1.898 178.240 176.600 -0.430 0.000 1.048 242 K CA 1.293 57.418 56.287 -0.269 0.000 0.929 242 K CB -0.133 32.294 32.500 -0.122 0.000 0.713 242 K HN 0.147 nan 8.250 nan 0.000 0.439 243 I N 1.112 121.223 120.570 -0.765 0.000 2.406 243 I HA -0.107 4.063 4.170 -0.000 0.000 0.249 243 I C 1.734 177.530 176.117 -0.537 0.000 1.122 243 I CA 0.891 61.658 61.300 -0.889 0.000 1.431 243 I CB -0.020 36.859 38.000 -1.868 0.000 1.087 243 I HN 0.223 nan 8.210 nan 0.000 0.424 244 I N 0.418 120.605 120.570 -0.639 0.000 2.163 244 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 244 I C 2.286 178.273 176.117 -0.217 0.000 1.085 244 I CA 1.739 62.765 61.300 -0.456 0.000 1.347 244 I CB -0.408 37.221 38.000 -0.618 0.000 1.044 244 I HN 0.280 nan 8.210 nan 0.000 0.408 245 E N 0.600 120.643 120.200 -0.261 0.000 2.106 245 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 245 E C 2.324 178.770 176.600 -0.257 0.000 0.984 245 E CA 1.094 57.371 56.400 -0.205 0.000 0.806 245 E CB -0.169 29.412 29.700 -0.199 0.000 0.750 245 E HN 0.509 nan 8.360 nan 0.000 0.458 246 A N 0.666 123.262 122.820 -0.373 0.000 1.902 246 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 246 A C 1.846 178.947 177.584 -0.806 0.000 1.181 246 A CA 1.288 52.862 52.037 -0.772 0.000 0.623 246 A CB -0.752 17.707 19.000 -0.901 0.000 0.818 246 A HN 0.251 nan 8.150 nan 0.000 0.443 247 Y N 0.795 120.902 120.300 -0.323 0.000 2.224 247 Y HA -0.153 4.397 4.550 -0.000 0.000 0.289 247 Y C 2.986 178.954 175.900 0.113 0.000 1.146 247 Y CA 1.663 59.843 58.100 0.134 0.000 1.182 247 Y CB -0.993 37.834 38.460 0.612 0.000 0.983 247 Y HN 0.317 nan 8.280 nan 0.000 0.524 248 T N -0.903 113.807 114.554 0.260 0.000 2.708 248 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 248 T C 2.229 176.937 174.700 0.014 0.000 1.037 248 T CA 1.499 63.712 62.100 0.189 0.000 1.146 248 T CB -0.948 68.002 68.868 0.136 0.000 0.865 248 T HN 0.546 nan 8.240 nan 0.000 0.435 249 G N 0.459 109.175 108.800 -0.141 0.000 2.446 249 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 249 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 249 G C 1.350 176.191 174.900 -0.098 0.000 1.168 249 G CA 0.581 45.579 45.100 -0.169 0.000 0.771 249 G HN 0.430 nan 8.290 nan 0.000 0.551 250 W N 1.034 122.193 121.300 -0.236 0.000 2.358 250 W HA 0.102 4.762 4.660 -0.000 0.000 0.303 250 W C 2.921 179.253 176.519 -0.313 0.000 1.208 250 W CA 0.871 57.946 57.345 -0.451 0.000 1.274 250 W CB -1.148 27.625 29.460 -1.144 0.000 1.138 250 W HN 0.330 nan 8.180 nan 0.000 0.515 251 A N 0.009 122.836 122.820 0.011 0.000 2.015 251 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 251 A C 1.821 179.455 177.584 0.085 0.000 1.163 251 A CA 2.236 54.354 52.037 0.135 0.000 0.646 251 A CB -0.958 18.133 19.000 0.152 0.000 0.806 251 A HN 0.264 nan 8.150 nan 0.000 0.448 252 T N -5.206 109.386 114.554 0.062 0.000 3.054 252 T HA 0.438 4.788 4.350 -0.000 0.000 0.255 252 T C 1.132 175.859 174.700 0.046 0.000 1.035 252 T CA 0.938 63.066 62.100 0.046 0.000 0.941 252 T CB 0.243 69.132 68.868 0.036 0.000 1.026 252 T HN 1.638 nan 8.240 nan 0.000 0.533 253 G N 2.255 111.096 108.800 0.068 0.000 2.149 253 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.235 253 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.235 253 G C -0.030 174.909 174.900 0.066 0.000 1.018 253 G CA -0.181 44.965 45.100 0.076 0.000 0.728 253 G HN 0.437 nan 8.290 nan 0.000 0.508 254 M N 0.733 120.368 119.600 0.058 0.000 2.146 254 M HA 0.529 5.009 4.480 -0.000 0.000 0.352 254 M C 0.663 177.008 176.300 0.075 0.000 1.343 254 M CA -0.514 54.810 55.300 0.040 0.000 1.115 254 M CB 0.499 33.096 32.600 -0.004 0.000 1.657 254 M HN 0.733 nan 8.290 nan 0.000 0.471 255 V N 0.411 120.365 119.914 0.068 0.000 3.078 255 V HA 0.686 4.806 4.120 -0.000 0.000 0.311 255 V C -0.355 175.775 176.094 0.061 0.000 1.138 255 V CA -1.134 61.216 62.300 0.084 0.000 1.007 255 V CB 2.333 34.206 31.823 0.083 0.000 1.045 255 V HN 0.622 nan 8.190 nan 0.000 0.432 256 D N 0.685 121.126 120.400 0.068 0.000 2.433 256 D HA 0.305 4.945 4.640 -0.000 0.000 0.255 256 D C -0.092 176.236 176.300 0.047 0.000 1.226 256 D CA -0.256 53.776 54.000 0.053 0.000 1.015 256 D CB 0.797 41.633 40.800 0.060 0.000 1.091 256 D HN 0.782 nan 8.370 nan 0.000 0.527 257 E N 0.676 120.898 120.200 0.037 0.000 2.104 257 E HA 0.238 4.588 4.350 -0.000 0.000 0.278 257 E C 0.035 176.652 176.600 0.029 0.000 1.127 257 E CA 0.272 56.690 56.400 0.029 0.000 0.897 257 E CB 0.730 30.441 29.700 0.019 0.000 1.043 257 E HN 0.105 nan 8.360 nan 0.000 0.410 258 R N 2.363 122.882 120.500 0.031 0.000 2.604 258 R HA 0.425 4.765 4.340 -0.000 0.000 0.270 258 R C -1.866 174.452 176.300 0.030 0.000 1.052 258 R CA -0.608 55.513 56.100 0.034 0.000 0.902 258 R CB 1.617 31.948 30.300 0.052 0.000 1.233 258 R HN 0.285 nan 8.270 nan 0.000 0.455 259 V N 2.374 122.302 119.914 0.023 0.000 2.588 259 V HA 0.470 4.590 4.120 -0.000 0.000 0.304 259 V C -0.492 175.627 176.094 0.042 0.000 1.042 259 V CA -0.611 61.704 62.300 0.025 0.000 0.877 259 V CB 2.246 34.069 31.823 -0.001 0.000 0.996 259 V HN 0.788 nan 8.190 nan 0.000 0.425 260 T N 4.221 118.815 114.554 0.066 0.000 2.770 260 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 260 T C -0.382 174.393 174.700 0.126 0.000 0.988 260 T CA -0.318 61.851 62.100 0.116 0.000 0.957 260 T CB 1.435 70.394 68.868 0.152 0.000 0.930 260 T HN 0.359 nan 8.240 nan 0.000 0.443 261 V N 5.385 125.390 119.914 0.151 0.000 2.435 261 V HA 0.593 4.713 4.120 -0.000 0.000 0.290 261 V C -0.273 176.000 176.094 0.298 0.000 1.030 261 V CA -0.746 61.676 62.300 0.203 0.000 0.881 261 V CB 1.187 33.099 31.823 0.149 0.000 0.983 261 V HN 0.767 nan 8.190 nan 0.000 0.445 262 I N 5.939 126.700 120.570 0.318 0.000 2.582 262 I HA 0.668 4.838 4.170 -0.000 0.000 0.292 262 I C -0.857 175.430 176.117 0.283 0.000 1.066 262 I CA -0.586 60.868 61.300 0.257 0.000 1.053 262 I CB 1.979 40.047 38.000 0.113 0.000 1.241 262 I HN 0.775 nan 8.210 nan 0.000 0.421 263 Y N 2.512 122.869 120.300 0.094 0.000 2.670 263 Y HA 0.799 5.349 4.550 -0.000 0.000 0.334 263 Y C -1.942 173.948 175.900 -0.016 0.000 1.185 263 Y CA -1.023 57.070 58.100 -0.011 0.000 1.053 263 Y CB 1.619 40.137 38.460 0.097 0.000 1.298 263 Y HN 0.428 nan 8.280 nan 0.000 0.459 264 D N -0.119 120.232 120.400 -0.081 0.000 2.552 264 D HA 0.633 5.273 4.640 -0.000 0.000 0.239 264 D C -1.570 174.703 176.300 -0.045 0.000 1.139 264 D CA -0.040 53.839 54.000 -0.203 0.000 0.914 264 D CB 2.895 43.571 40.800 -0.207 0.000 1.461 264 D HN 0.813 nan 8.370 nan 0.000 0.462 265 T N 0.777 115.222 114.554 -0.182 0.000 2.853 265 T HA 0.396 4.746 4.350 -0.000 0.000 0.311 265 T C 0.377 174.869 174.700 -0.347 0.000 1.307 265 T CA -0.294 61.715 62.100 -0.153 0.000 1.019 265 T CB 1.326 70.237 68.868 0.071 0.000 1.264 265 T HN 0.354 nan 8.240 nan 0.000 0.497 266 M N 0.669 120.083 119.600 -0.309 0.000 2.858 266 M HA 0.269 4.749 4.480 -0.000 0.000 0.255 266 M C 1.304 177.514 176.300 -0.149 0.000 1.336 266 M CA 0.694 55.801 55.300 -0.322 0.000 1.220 266 M CB 0.239 32.573 32.600 -0.442 0.000 1.252 266 M HN 0.710 nan 8.290 nan 0.000 0.538 267 H N -0.868 118.159 119.070 -0.072 0.000 2.652 267 H HA 0.307 4.863 4.556 -0.000 0.000 0.274 267 H C 1.136 176.428 175.328 -0.060 0.000 1.021 267 H CA 0.288 56.300 56.048 -0.059 0.000 1.187 267 H CB 0.797 30.532 29.762 -0.047 0.000 1.505 267 H HN 0.613 nan 8.280 nan 0.000 0.530 268 G N 0.022 108.847 108.800 0.041 0.000 2.218 268 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.216 268 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.216 268 G C 1.307 176.185 174.900 -0.036 0.000 0.994 268 G CA 0.454 45.547 45.100 -0.011 0.000 0.637 268 G HN 0.343 nan 8.290 nan 0.000 0.505 269 S N 0.357 116.060 115.700 0.006 0.000 2.368 269 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 269 S C 2.388 176.989 174.600 0.002 0.000 1.029 269 S CA 2.178 60.382 58.200 0.006 0.000 0.988 269 S CB -0.392 62.837 63.200 0.049 0.000 0.838 269 S HN 0.630 nan 8.310 nan 0.000 0.462 270 T N 1.860 116.425 114.554 0.019 0.000 2.788 270 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 270 T C 1.840 176.500 174.700 -0.066 0.000 1.044 270 T CA 1.185 63.328 62.100 0.071 0.000 1.139 270 T CB -0.201 68.704 68.868 0.062 0.000 0.867 270 T HN 0.346 nan 8.240 nan 0.000 0.454 271 R N 1.265 121.617 120.500 -0.246 0.000 2.096 271 R HA -0.139 4.201 4.340 -0.000 0.000 0.240 271 R C 2.273 178.286 176.300 -0.477 0.000 1.139 271 R CA 1.655 57.397 56.100 -0.597 0.000 0.952 271 R CB -0.104 30.000 30.300 -0.326 0.000 0.854 271 R HN 0.324 nan 8.270 nan 0.000 0.436 272 K N -0.181 120.036 120.400 -0.306 0.000 2.097 272 K HA -0.137 4.182 4.320 -0.000 0.000 0.206 272 K C 2.185 178.708 176.600 -0.129 0.000 1.049 272 K CA 1.994 58.141 56.287 -0.233 0.000 0.933 272 K CB -0.105 32.314 32.500 -0.135 0.000 0.717 272 K HN 0.269 nan 8.250 nan 0.000 0.442 273 M N 0.194 119.739 119.600 -0.091 0.000 2.132 273 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 273 M C 2.444 178.565 176.300 -0.298 0.000 1.065 273 M CA 1.500 56.730 55.300 -0.117 0.000 1.122 273 M CB -0.336 32.285 32.600 0.034 0.000 1.365 273 M HN 0.197 nan 8.290 nan 0.000 0.411 274 A N -0.186 122.500 122.820 -0.223 0.000 1.902 274 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 274 A C 1.840 179.365 177.584 -0.099 0.000 1.181 274 A CA 1.599 53.500 52.037 -0.227 0.000 0.623 274 A CB -1.306 17.598 19.000 -0.160 0.000 0.818 274 A HN 0.545 nan 8.150 nan 0.000 0.443 275 H N -0.874 118.070 119.070 -0.211 0.000 2.321 275 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 275 H C 2.576 177.844 175.328 -0.099 0.000 1.087 275 H CA 0.977 56.950 56.048 -0.125 0.000 1.319 275 H CB -0.021 29.685 29.762 -0.094 0.000 1.379 275 H HN 0.573 nan 8.280 nan 0.000 0.501 276 A N 1.185 124.022 122.820 0.029 0.000 1.933 276 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 276 A C 2.483 180.027 177.584 -0.067 0.000 1.175 276 A CA 1.012 53.069 52.037 0.033 0.000 0.628 276 A CB -0.661 18.363 19.000 0.040 0.000 0.814 276 A HN 0.269 nan 8.150 nan 0.000 0.444 277 I N -0.218 120.239 120.570 -0.189 0.000 2.127 277 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 277 I C 3.026 179.008 176.117 -0.224 0.000 1.075 277 I CA 1.209 62.351 61.300 -0.263 0.000 1.334 277 I CB -0.437 37.310 38.000 -0.422 0.000 1.040 277 I HN 0.372 nan 8.210 nan 0.000 0.405 278 A N 0.224 122.942 122.820 -0.169 0.000 1.917 278 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 278 A C 2.188 179.680 177.584 -0.153 0.000 1.182 278 A CA 2.247 54.199 52.037 -0.142 0.000 0.633 278 A CB -0.620 18.301 19.000 -0.132 0.000 0.819 278 A HN 0.426 nan 8.150 nan 0.000 0.448 279 E N -0.358 119.765 120.200 -0.129 0.000 2.072 279 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 279 E C 2.034 178.428 176.600 -0.343 0.000 0.985 279 E CA 1.373 57.722 56.400 -0.085 0.000 0.801 279 E CB -0.666 29.095 29.700 0.103 0.000 0.750 279 E HN 0.451 nan 8.360 nan 0.000 0.452 280 G N 0.144 108.506 108.800 -0.729 0.000 2.418 280 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 280 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 280 G C 1.678 176.192 174.900 -0.643 0.000 1.158 280 G CA 0.982 45.254 45.100 -1.380 0.000 0.771 280 G HN 0.423 nan 8.290 nan 0.000 0.545 281 A N 0.518 123.116 122.820 -0.369 0.000 1.898 281 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 281 A C 2.440 179.931 177.584 -0.155 0.000 1.181 281 A CA 1.674 53.585 52.037 -0.211 0.000 0.620 281 A CB -0.368 18.546 19.000 -0.144 0.000 0.819 281 A HN 0.363 nan 8.150 nan 0.000 0.442 282 M N 0.565 120.077 119.600 -0.146 0.000 2.149 282 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 282 M C 2.404 178.666 176.300 -0.063 0.000 1.064 282 M CA 1.832 57.081 55.300 -0.085 0.000 1.102 282 M CB -0.377 32.184 32.600 -0.065 0.000 1.369 282 M HN 0.671 nan 8.290 nan 0.000 0.408 283 S N -0.423 115.223 115.700 -0.089 0.000 2.447 283 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 283 S C 1.503 176.093 174.600 -0.017 0.000 1.006 283 S CA 0.858 59.050 58.200 -0.012 0.000 0.957 283 S CB -0.311 62.932 63.200 0.072 0.000 0.773 283 S HN 0.427 nan 8.310 nan 0.000 0.507 284 E N 0.897 121.064 120.200 -0.056 0.000 2.481 284 E HA 0.172 4.522 4.350 -0.000 0.000 0.195 284 E C 1.402 177.991 176.600 -0.019 0.000 1.047 284 E CA 0.595 56.974 56.400 -0.034 0.000 0.867 284 E CB -0.081 29.590 29.700 -0.049 0.000 0.858 284 E HN 0.751 nan 8.360 nan 0.000 0.513 285 G N 1.425 110.214 108.800 -0.019 0.000 2.141 285 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 285 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 285 G C 0.526 175.422 174.900 -0.007 0.000 0.982 285 G CA 0.443 45.538 45.100 -0.008 0.000 0.662 285 G HN 0.260 nan 8.290 nan 0.000 0.527 286 V N -1.864 118.041 119.914 -0.015 0.000 2.863 286 V HA 0.776 4.896 4.120 -0.000 0.000 0.307 286 V C 0.512 176.602 176.094 -0.008 0.000 1.061 286 V CA -0.670 61.626 62.300 -0.008 0.000 1.024 286 V CB 1.827 33.643 31.823 -0.011 0.000 1.049 286 V HN 0.220 nan 8.190 nan 0.000 0.471 287 D N 1.464 121.868 120.400 0.006 0.000 2.372 287 D HA 0.471 5.111 4.640 -0.000 0.000 0.243 287 D C -0.577 175.723 176.300 0.000 0.000 1.121 287 D CA 0.266 54.271 54.000 0.009 0.000 0.898 287 D CB 1.391 42.209 40.800 0.030 0.000 1.202 287 D HN 0.611 nan 8.370 nan 0.000 0.428 288 V N 4.302 124.209 119.914 -0.012 0.000 2.760 288 V HA 0.537 4.657 4.120 -0.000 0.000 0.309 288 V C -0.347 175.724 176.094 -0.038 0.000 1.077 288 V CA -0.952 61.333 62.300 -0.025 0.000 0.910 288 V CB 2.012 33.804 31.823 -0.053 0.000 1.008 288 V HN 0.504 nan 8.190 nan 0.000 0.424 289 R N 2.846 123.325 120.500 -0.035 0.000 2.599 289 R HA 0.787 5.127 4.340 -0.000 0.000 0.295 289 R C -1.490 174.722 176.300 -0.147 0.000 0.963 289 R CA -0.727 55.298 56.100 -0.125 0.000 0.883 289 R CB 2.311 32.574 30.300 -0.061 0.000 1.171 289 R HN 0.440 nan 8.270 nan 0.000 0.450 290 V N 3.763 123.510 119.914 -0.279 0.000 2.444 290 V HA 0.423 4.543 4.120 -0.000 0.000 0.294 290 V C -1.203 174.741 176.094 -0.250 0.000 1.022 290 V CA -0.772 61.455 62.300 -0.121 0.000 0.850 290 V CB 1.223 33.017 31.823 -0.048 0.000 0.992 290 V HN 0.575 nan 8.190 nan 0.000 0.426 291 Y N 2.531 122.901 120.300 0.116 0.000 2.446 291 Y HA 0.583 5.133 4.550 -0.000 0.000 0.345 291 Y C 0.163 176.000 175.900 -0.106 0.000 0.984 291 Y CA -0.611 57.506 58.100 0.029 0.000 1.058 291 Y CB 1.937 40.400 38.460 0.004 0.000 1.220 291 Y HN 0.657 nan 8.280 nan 0.000 0.455 292 C N 5.516 124.803 119.300 -0.021 0.000 2.281 292 C HA 0.414 4.874 4.460 -0.000 0.000 0.325 292 C C 1.424 176.317 174.990 -0.162 0.000 1.282 292 C CA -0.604 58.195 59.018 -0.365 0.000 1.640 292 C CB -1.042 26.537 27.740 -0.268 0.000 2.288 292 C HN 1.059 nan 8.230 nan 0.000 0.507 293 L N 3.033 124.135 121.223 -0.201 0.000 2.191 293 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 293 L C 2.226 179.086 176.870 -0.018 0.000 1.103 293 L CA 1.321 56.114 54.840 -0.079 0.000 0.769 293 L CB -0.655 41.372 42.059 -0.053 0.000 0.908 293 L HN 0.865 nan 8.230 nan 0.000 0.438 294 H N 0.086 119.088 119.070 -0.114 0.000 2.457 294 H HA -0.106 4.450 4.556 -0.000 0.000 0.294 294 H C 1.943 177.252 175.328 -0.032 0.000 1.064 294 H CA 1.394 57.408 56.048 -0.057 0.000 1.330 294 H CB 0.419 30.135 29.762 -0.076 0.000 1.395 294 H HN 0.264 nan 8.280 nan 0.000 0.541 295 E N -0.693 119.500 120.200 -0.012 0.000 2.421 295 E HA 0.084 4.434 4.350 -0.000 0.000 0.209 295 E C -0.333 176.263 176.600 -0.007 0.000 0.871 295 E CA 0.080 56.471 56.400 -0.016 0.000 1.064 295 E CB 0.855 30.584 29.700 0.048 0.000 1.075 295 E HN 0.426 nan 8.360 nan 0.000 0.513 296 D N 1.593 121.997 120.400 0.007 0.000 2.185 296 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 296 D C -0.661 175.608 176.300 -0.053 0.000 1.027 296 D CA -0.401 53.615 54.000 0.028 0.000 0.861 296 D CB 1.913 42.808 40.800 0.159 0.000 1.202 296 D HN -0.159 nan 8.370 nan 0.000 0.453 297 D N 0.025 120.382 120.400 -0.073 0.000 2.345 297 D HA 0.030 4.670 4.640 -0.000 0.000 0.247 297 D C 1.667 177.866 176.300 -0.169 0.000 1.108 297 D CA -0.328 53.603 54.000 -0.115 0.000 0.894 297 D CB 0.988 41.728 40.800 -0.100 0.000 1.203 297 D HN 0.322 nan 8.370 nan 0.000 0.430 298 R N 1.332 121.719 120.500 -0.188 0.000 2.139 298 R HA -0.190 4.149 4.340 -0.000 0.000 0.243 298 R C 1.591 177.814 176.300 -0.128 0.000 1.145 298 R CA 1.831 57.816 56.100 -0.190 0.000 0.976 298 R CB -0.693 29.404 30.300 -0.339 0.000 0.866 298 R HN 0.407 nan 8.270 nan 0.000 0.449 299 S N 0.397 115.993 115.700 -0.172 0.000 2.406 299 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 299 S C 1.687 176.169 174.600 -0.196 0.000 1.020 299 S CA 0.668 58.769 58.200 -0.164 0.000 0.965 299 S CB 0.065 63.061 63.200 -0.340 0.000 0.798 299 S HN 0.328 nan 8.310 nan 0.000 0.488 300 E N 1.458 121.534 120.200 -0.206 0.000 2.152 300 E HA 0.097 4.447 4.350 -0.000 0.000 0.192 300 E C 2.061 178.454 176.600 -0.346 0.000 0.983 300 E CA 0.692 56.974 56.400 -0.197 0.000 0.818 300 E CB -0.362 29.268 29.700 -0.116 0.000 0.758 300 E HN 0.617 nan 8.360 nan 0.000 0.467 301 I N 1.139 121.416 120.570 -0.488 0.000 2.142 301 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 301 I C 2.601 178.587 176.117 -0.220 0.000 1.078 301 I CA 1.241 62.182 61.300 -0.598 0.000 1.343 301 I CB -0.555 37.178 38.000 -0.445 0.000 1.046 301 I HN -0.000 nan 8.210 nan 0.000 0.405 302 V N -0.855 119.036 119.914 -0.038 0.000 2.759 302 V HA -0.219 3.901 4.120 -0.000 0.000 0.256 302 V C 2.397 178.565 176.094 0.122 0.000 1.080 302 V CA 1.652 64.035 62.300 0.139 0.000 1.101 302 V CB -0.872 31.153 31.823 0.338 0.000 0.698 302 V HN 0.417 nan 8.190 nan 0.000 0.477 303 K N 0.309 120.719 120.400 0.017 0.000 2.026 303 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 303 K C 1.887 178.495 176.600 0.013 0.000 1.048 303 K CA 2.166 58.451 56.287 -0.003 0.000 0.929 303 K CB -0.309 32.172 32.500 -0.032 0.000 0.713 303 K HN 0.509 nan 8.250 nan 0.000 0.439 304 D N 0.755 121.173 120.400 0.029 0.000 2.183 304 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 304 D C 1.971 178.289 176.300 0.029 0.000 0.969 304 D CA 0.786 54.837 54.000 0.086 0.000 0.842 304 D CB -0.057 40.882 40.800 0.231 0.000 0.957 304 D HN 0.288 nan 8.370 nan 0.000 0.484 305 I N 0.566 121.105 120.570 -0.052 0.000 2.208 305 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 305 I C 2.367 178.331 176.117 -0.255 0.000 1.097 305 I CA 0.517 61.692 61.300 -0.209 0.000 1.363 305 I CB -0.198 37.544 38.000 -0.430 0.000 1.051 305 I HN 0.031 nan 8.210 nan 0.000 0.413 306 L N 0.914 122.084 121.223 -0.088 0.000 2.089 306 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 306 L C 2.040 178.951 176.870 0.067 0.000 1.079 306 L CA 1.999 56.899 54.840 0.100 0.000 0.758 306 L CB -0.558 41.549 42.059 0.080 0.000 0.891 306 L HN 0.223 nan 8.230 nan 0.000 0.433 307 E N -0.629 119.605 120.200 0.057 0.000 2.444 307 E HA 0.203 4.553 4.350 -0.000 0.000 0.191 307 E C 0.033 176.681 176.600 0.079 0.000 1.041 307 E CA 0.058 56.522 56.400 0.107 0.000 0.883 307 E CB 0.154 29.934 29.700 0.133 0.000 1.024 307 E HN 0.371 nan 8.360 nan 0.000 0.470 308 S N -0.699 115.025 115.700 0.041 0.000 2.482 308 S HA 0.449 4.919 4.470 -0.000 0.000 0.303 308 S C 1.002 175.621 174.600 0.030 0.000 1.091 308 S CA -0.565 57.657 58.200 0.036 0.000 1.057 308 S CB 1.941 65.158 63.200 0.029 0.000 1.031 308 S HN 0.252 nan 8.310 nan 0.000 0.485 309 G N 0.898 109.722 108.800 0.039 0.000 2.712 309 G HA2 0.466 4.426 3.960 -0.000 0.000 0.212 309 G HA3 0.466 4.426 3.960 -0.000 0.000 0.212 309 G C 0.215 175.148 174.900 0.056 0.000 1.142 309 G CA 0.447 45.571 45.100 0.040 0.000 0.789 309 G HN 0.959 nan 8.290 nan 0.000 0.535 310 A N -0.376 122.481 122.820 0.062 0.000 2.594 310 A HA 0.697 5.017 4.320 -0.000 0.000 0.295 310 A C -1.057 176.570 177.584 0.070 0.000 1.071 310 A CA -0.745 51.340 52.037 0.080 0.000 0.685 310 A CB 1.160 20.193 19.000 0.055 0.000 1.285 310 A HN 0.689 nan 8.150 nan 0.000 0.405 311 I N -1.497 119.114 120.570 0.069 0.000 2.892 311 I HA 0.970 5.140 4.170 -0.000 0.000 0.306 311 I C -0.196 175.948 176.117 0.045 0.000 1.078 311 I CA -1.138 60.178 61.300 0.028 0.000 1.032 311 I CB 2.379 40.335 38.000 -0.074 0.000 1.229 311 I HN 0.941 nan 8.210 nan 0.000 0.435 312 A N 4.526 127.404 122.820 0.096 0.000 2.355 312 A HA 0.830 5.150 4.320 -0.000 0.000 0.317 312 A C -1.407 176.339 177.584 0.270 0.000 1.094 312 A CA -0.536 51.629 52.037 0.212 0.000 0.764 312 A CB 1.535 20.666 19.000 0.219 0.000 1.230 312 A HN 0.772 nan 8.150 nan 0.000 0.448 313 L N 2.338 123.682 121.223 0.202 0.000 2.372 313 L HA 0.808 5.147 4.340 -0.000 0.000 0.274 313 L C 0.041 176.645 176.870 -0.443 0.000 0.988 313 L CA 0.097 54.916 54.840 -0.034 0.000 0.833 313 L CB 1.707 43.706 42.059 -0.101 0.000 1.236 313 L HN 0.851 nan 8.230 nan 0.000 0.410 314 G N 3.361 111.622 108.800 -0.899 0.000 2.524 314 G HA2 0.905 4.865 3.960 -0.000 0.000 0.310 314 G HA3 0.905 4.865 3.960 -0.000 0.000 0.310 314 G C -1.692 172.869 174.900 -0.567 0.000 1.279 314 G CA -0.165 43.993 45.100 -1.570 0.000 0.974 314 G HN 1.060 nan 8.290 nan 0.000 0.484 315 A N 2.307 124.901 122.820 -0.376 0.000 2.605 315 A HA 0.902 5.222 4.320 -0.000 0.000 0.294 315 A C -3.091 174.443 177.584 -0.083 0.000 1.062 315 A CA -1.134 50.818 52.037 -0.142 0.000 0.682 315 A CB 1.939 20.908 19.000 -0.052 0.000 1.278 315 A HN 0.569 nan 8.150 nan 0.000 0.410 316 P HA 0.372 nan 4.420 nan 0.000 0.274 316 P C -0.276 177.026 177.300 0.004 0.000 1.246 316 P CA 0.157 63.242 63.100 -0.025 0.000 0.795 316 P CB 0.585 32.254 31.700 -0.053 0.000 1.006 317 T N 2.131 116.674 114.554 -0.017 0.000 2.806 317 T HA 0.502 4.852 4.350 -0.000 0.000 0.290 317 T C 0.226 174.893 174.700 -0.055 0.000 0.966 317 T CA -0.181 61.906 62.100 -0.021 0.000 1.060 317 T CB 0.019 68.872 68.868 -0.024 0.000 0.927 317 T HN 0.365 nan 8.240 nan 0.000 0.485 318 I N 3.072 123.602 120.570 -0.066 0.000 2.478 318 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 318 I C -0.971 175.076 176.117 -0.117 0.000 1.042 318 I CA -1.058 60.127 61.300 -0.191 0.000 1.067 318 I CB 0.859 38.744 38.000 -0.192 0.000 1.233 318 I HN 0.683 nan 8.210 nan 0.000 0.431 319 Y N 6.963 127.268 120.300 0.008 0.000 2.981 319 Y HA -0.264 4.286 4.550 -0.000 0.000 0.204 319 Y C 0.879 176.779 175.900 -0.001 0.000 1.265 319 Y CA 1.284 59.386 58.100 0.003 0.000 0.941 319 Y CB -1.998 36.461 38.460 -0.003 0.000 1.254 319 Y HN 0.867 nan 8.280 nan 0.000 0.469 320 D N -2.434 118.030 120.400 0.107 0.000 2.946 320 D HA -0.193 4.447 4.640 -0.000 0.000 0.202 320 D C 0.176 176.500 176.300 0.039 0.000 1.068 320 D CA 1.604 55.643 54.000 0.064 0.000 1.011 320 D CB -0.310 40.531 40.800 0.068 0.000 1.105 320 D HN 0.596 nan 8.370 nan 0.000 0.425 321 E N -0.022 120.198 120.200 0.034 0.000 2.263 321 E HA 0.502 4.852 4.350 -0.000 0.000 0.264 321 E C -2.424 174.178 176.600 0.005 0.000 0.923 321 E CA -1.838 54.572 56.400 0.016 0.000 0.802 321 E CB 1.368 31.076 29.700 0.014 0.000 1.228 321 E HN -0.049 nan 8.360 nan 0.000 0.417 322 P HA -0.011 nan 4.420 nan 0.000 0.269 322 P C -0.270 177.048 177.300 0.030 0.000 1.215 322 P CA -0.111 62.998 63.100 0.014 0.000 0.780 322 P CB 0.098 31.800 31.700 0.003 0.000 0.898 323 Y N 5.301 125.567 120.300 -0.056 0.000 2.969 323 Y HA -0.101 4.449 4.550 -0.000 0.000 0.339 323 Y C -0.866 175.014 175.900 -0.033 0.000 1.272 323 Y CA -0.538 57.532 58.100 -0.050 0.000 1.577 323 Y CB -0.145 38.281 38.460 -0.056 0.000 1.234 323 Y HN 0.426 nan 8.280 nan 0.000 0.590 324 P HA -0.211 nan 4.420 nan 0.000 0.222 324 P C 1.368 178.602 177.300 -0.110 0.000 1.147 324 P CA 1.949 64.900 63.100 -0.248 0.000 0.790 324 P CB -0.069 31.442 31.700 -0.316 0.000 0.780 325 S N 0.485 116.173 115.700 -0.021 0.000 2.400 325 S HA -0.150 4.320 4.470 -0.000 0.000 0.232 325 S C 2.043 176.673 174.600 0.050 0.000 1.025 325 S CA 1.583 59.833 58.200 0.083 0.000 0.993 325 S CB -1.970 61.374 63.200 0.241 0.000 0.808 325 S HN 0.185 nan 8.310 nan 0.000 0.478 326 V N 0.360 120.309 119.914 0.057 0.000 2.809 326 V HA 0.222 4.342 4.120 -0.000 0.000 0.256 326 V C 2.298 178.397 176.094 0.008 0.000 1.080 326 V CA 1.491 63.803 62.300 0.019 0.000 1.102 326 V CB -1.625 30.202 31.823 0.006 0.000 0.705 326 V HN 0.472 nan 8.190 nan 0.000 0.475 327 G N 0.146 108.946 108.800 0.000 0.000 2.422 327 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 327 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 327 G C 1.382 176.289 174.900 0.012 0.000 1.140 327 G CA 0.892 45.992 45.100 0.001 0.000 0.775 327 G HN 0.586 nan 8.290 nan 0.000 0.545 328 D N 0.551 120.953 120.400 0.004 0.000 2.077 328 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 328 D C 2.480 178.802 176.300 0.036 0.000 0.986 328 D CA 0.872 54.873 54.000 0.002 0.000 0.829 328 D CB -0.265 40.516 40.800 -0.031 0.000 0.983 328 D HN 0.155 nan 8.370 nan 0.000 0.453 329 L N 0.942 122.182 121.223 0.028 0.000 2.043 329 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 329 L C 2.546 179.485 176.870 0.115 0.000 1.075 329 L CA 1.418 56.300 54.840 0.070 0.000 0.752 329 L CB -0.660 41.412 42.059 0.022 0.000 0.891 329 L HN 0.129 nan 8.230 nan 0.000 0.432 330 L N -1.564 119.699 121.223 0.067 0.000 2.093 330 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 330 L C 2.572 179.499 176.870 0.095 0.000 1.085 330 L CA 1.668 56.548 54.840 0.067 0.000 0.755 330 L CB -0.422 41.657 42.059 0.033 0.000 0.904 330 L HN 0.425 nan 8.230 nan 0.000 0.435 331 M N -1.567 118.089 119.600 0.094 0.000 2.175 331 M HA -0.256 4.224 4.480 -0.000 0.000 0.264 331 M C 2.365 178.750 176.300 0.142 0.000 1.063 331 M CA 1.712 57.069 55.300 0.094 0.000 1.119 331 M CB -0.153 32.491 32.600 0.074 0.000 1.377 331 M HN 0.146 nan 8.290 nan 0.000 0.415 332 Y N 1.062 121.375 120.300 0.022 0.000 2.181 332 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 332 Y C 1.819 177.755 175.900 0.059 0.000 1.146 332 Y CA 1.746 59.861 58.100 0.026 0.000 1.164 332 Y CB -0.402 38.070 38.460 0.021 0.000 0.982 332 Y HN 0.201 nan 8.280 nan 0.000 0.515 333 L N -0.626 120.693 121.223 0.159 0.000 2.131 333 L HA -0.216 4.123 4.340 -0.000 0.000 0.210 333 L C 2.547 179.491 176.870 0.124 0.000 1.092 333 L CA 1.222 56.174 54.840 0.187 0.000 0.759 333 L CB -0.468 41.778 42.059 0.310 0.000 0.903 333 L HN 0.099 nan 8.230 nan 0.000 0.435 334 R N -0.170 120.384 120.500 0.089 0.000 2.148 334 R HA -0.100 4.240 4.340 -0.000 0.000 0.227 334 R C 2.289 178.580 176.300 -0.015 0.000 1.103 334 R CA 1.126 57.258 56.100 0.053 0.000 0.983 334 R CB -0.389 29.941 30.300 0.049 0.000 0.874 334 R HN 0.435 nan 8.270 nan 0.000 0.451 335 G N 0.617 109.379 108.800 -0.062 0.000 2.394 335 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 335 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 335 G C 1.387 176.160 174.900 -0.211 0.000 1.176 335 G CA 0.133 45.153 45.100 -0.134 0.000 0.786 335 G HN 0.131 nan 8.290 nan 0.000 0.533 336 L N -0.448 120.593 121.223 -0.304 0.000 2.217 336 L HA 0.121 4.461 4.340 -0.000 0.000 0.211 336 L C 0.761 177.374 176.870 -0.428 0.000 1.107 336 L CA 0.474 55.045 54.840 -0.449 0.000 0.783 336 L CB -0.273 41.400 42.059 -0.644 0.000 0.919 336 L HN 0.180 nan 8.230 nan 0.000 0.442 337 K N -0.502 119.753 120.400 -0.241 0.000 3.619 337 K HA -0.232 4.088 4.320 -0.000 0.000 0.275 337 K C 0.369 176.842 176.600 -0.210 0.000 0.993 337 K CA 0.044 56.235 56.287 -0.160 0.000 0.787 337 K CB -1.855 30.565 32.500 -0.132 0.000 1.431 337 K HN 0.052 nan 8.250 nan 0.000 0.451 338 F N 1.301 121.156 119.950 -0.158 0.000 2.307 338 F HA -0.200 4.327 4.527 -0.000 0.000 0.301 338 F C 2.305 177.977 175.800 -0.214 0.000 1.076 338 F CA 1.702 59.583 58.000 -0.199 0.000 1.383 338 F CB -0.184 38.636 39.000 -0.299 0.000 1.055 338 F HN 0.491 nan 8.300 nan 0.000 0.526 339 N N 0.654 119.304 118.700 -0.083 0.000 2.520 339 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 339 N C 1.451 176.930 175.510 -0.052 0.000 1.068 339 N CA 0.615 53.613 53.050 -0.087 0.000 0.911 339 N CB -0.449 37.980 38.487 -0.095 0.000 0.961 339 N HN 0.271 nan 8.380 nan 0.000 0.446 340 R N 0.383 120.848 120.500 -0.058 0.000 2.189 340 R HA -0.030 4.310 4.340 -0.000 0.000 0.223 340 R C 1.869 178.159 176.300 -0.017 0.000 1.092 340 R CA 1.613 57.682 56.100 -0.051 0.000 0.989 340 R CB -0.441 29.809 30.300 -0.085 0.000 0.876 340 R HN 0.638 nan 8.270 nan 0.000 0.457 341 T N -2.524 112.038 114.554 0.014 0.000 3.044 341 T HA 0.196 4.546 4.350 -0.000 0.000 0.237 341 T C 0.632 175.357 174.700 0.041 0.000 1.001 341 T CA -0.040 62.093 62.100 0.055 0.000 1.160 341 T CB 0.254 69.198 68.868 0.126 0.000 0.889 341 T HN 0.070 nan 8.240 nan 0.000 0.442 342 L N 1.075 122.316 121.223 0.030 0.000 2.611 342 L HA 0.519 4.859 4.340 -0.000 0.000 0.260 342 L C -1.390 175.449 176.870 -0.052 0.000 0.924 342 L CA -0.356 54.485 54.840 0.002 0.000 0.901 342 L CB 1.981 44.054 42.059 0.023 0.000 1.369 342 L HN 0.081 nan 8.230 nan 0.000 0.415 343 T N 4.470 118.988 114.554 -0.059 0.000 2.775 343 T HA 0.380 4.730 4.350 -0.000 0.000 0.287 343 T C 0.342 175.000 174.700 -0.071 0.000 0.909 343 T CA -0.116 61.925 62.100 -0.099 0.000 1.081 343 T CB -0.410 68.429 68.868 -0.049 0.000 0.891 343 T HN 0.498 nan 8.240 nan 0.000 0.544 344 R N 2.530 122.950 120.500 -0.134 0.000 2.531 344 R HA 0.321 4.661 4.340 -0.000 0.000 0.273 344 R C 0.532 176.920 176.300 0.147 0.000 1.070 344 R CA -0.824 55.282 56.100 0.012 0.000 1.112 344 R CB 0.597 30.919 30.300 0.037 0.000 1.049 344 R HN 0.319 nan 8.270 nan 0.000 0.508 345 K N 1.032 121.515 120.400 0.138 0.000 2.219 345 K HA 0.408 4.728 4.320 -0.000 0.000 0.258 345 K C -0.379 176.332 176.600 0.186 0.000 1.008 345 K CA -0.207 56.164 56.287 0.141 0.000 0.928 345 K CB 1.321 33.871 32.500 0.083 0.000 0.983 345 K HN 0.690 nan 8.250 nan 0.000 0.484 346 A N 1.687 124.593 122.820 0.142 0.000 2.486 346 A HA 0.572 4.892 4.320 -0.000 0.000 0.300 346 A C -1.621 176.005 177.584 0.070 0.000 1.048 346 A CA -0.762 51.326 52.037 0.085 0.000 0.696 346 A CB 1.280 20.305 19.000 0.041 0.000 1.278 346 A HN 0.482 nan 8.150 nan 0.000 0.405 347 L N 3.004 124.272 121.223 0.075 0.000 2.333 347 L HA 0.771 5.111 4.340 -0.000 0.000 0.280 347 L C -0.438 176.535 176.870 0.172 0.000 1.004 347 L CA -0.530 54.376 54.840 0.110 0.000 0.820 347 L CB 1.767 43.885 42.059 0.097 0.000 1.247 347 L HN 0.887 nan 8.230 nan 0.000 0.416 348 V N 3.016 123.021 119.914 0.151 0.000 2.532 348 V HA 0.835 4.955 4.120 -0.000 0.000 0.295 348 V C -0.448 175.791 176.094 0.242 0.000 1.041 348 V CA -0.496 61.881 62.300 0.128 0.000 0.926 348 V CB 1.036 32.880 31.823 0.036 0.000 0.992 348 V HN 0.869 nan 8.190 nan 0.000 0.457 349 F N 0.621 120.582 119.950 0.018 0.000 2.741 349 F HA 1.058 5.585 4.527 -0.000 0.000 0.313 349 F C -0.185 175.630 175.800 0.025 0.000 1.153 349 F CA -0.187 57.824 58.000 0.019 0.000 0.931 349 F CB 1.407 40.417 39.000 0.016 0.000 1.335 349 F HN 1.220 nan 8.300 nan 0.000 0.460 350 G N 0.243 109.135 108.800 0.153 0.000 2.328 350 G HA2 0.447 4.407 3.960 -0.000 0.000 0.299 350 G HA3 0.447 4.407 3.960 -0.000 0.000 0.299 350 G C -2.196 172.751 174.900 0.077 0.000 1.435 350 G CA -0.423 44.699 45.100 0.036 0.000 0.865 350 G HN 0.933 nan 8.290 nan 0.000 0.601 351 S N -0.903 114.825 115.700 0.046 0.000 2.565 351 S HA 0.841 5.311 4.470 -0.000 0.000 0.290 351 S C 0.058 174.654 174.600 -0.007 0.000 1.150 351 S CA -0.028 58.193 58.200 0.035 0.000 1.058 351 S CB 0.827 64.055 63.200 0.047 0.000 1.032 351 S HN 1.391 nan 8.310 nan 0.000 0.510 352 M N 2.486 122.060 119.600 -0.043 0.000 2.618 352 M HA 0.726 5.206 4.480 -0.000 0.000 0.281 352 M C 0.168 176.290 176.300 -0.296 0.000 1.267 352 M CA -0.471 54.773 55.300 -0.093 0.000 0.845 352 M CB 0.937 33.515 32.600 -0.037 0.000 1.732 352 M HN 0.426 nan 8.290 nan 0.000 0.461 353 G N -1.334 107.266 108.800 -0.334 0.000 3.377 353 G HA2 0.585 4.545 3.960 -0.000 0.000 0.257 353 G HA3 0.585 4.545 3.960 -0.000 0.000 0.257 353 G C 0.214 175.007 174.900 -0.177 0.000 1.038 353 G CA 0.251 44.928 45.100 -0.705 0.000 0.809 353 G HN 1.205 nan 8.290 nan 0.000 0.526 354 G N 0.458 109.240 108.800 -0.030 0.000 3.431 354 G HA2 0.012 3.972 3.960 -0.000 0.000 0.152 354 G HA3 0.012 3.972 3.960 -0.000 0.000 0.152 354 G C 0.571 175.474 174.900 0.006 0.000 1.206 354 G CA 0.109 45.228 45.100 0.031 0.000 1.462 354 G HN 0.147 nan 8.290 nan 0.000 0.729 355 N N 0.778 119.485 118.700 0.011 0.000 2.457 355 N HA 0.329 5.069 4.740 -0.000 0.000 0.180 355 N C 1.223 176.736 175.510 0.005 0.000 1.050 355 N CA 0.646 53.701 53.050 0.008 0.000 0.906 355 N CB 0.497 38.997 38.487 0.021 0.000 0.968 355 N HN 0.967 nan 8.380 nan 0.000 0.445 356 G N -0.353 108.449 108.800 0.003 0.000 2.645 356 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.239 356 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.239 356 G C 0.493 175.398 174.900 0.008 0.000 1.331 356 G CA -0.204 44.898 45.100 0.002 0.000 0.890 356 G HN 0.580 nan 8.290 nan 0.000 0.572 357 G N -3.334 105.470 108.800 0.008 0.000 2.813 357 G HA2 0.347 4.307 3.960 -0.000 0.000 0.194 357 G HA3 0.347 4.307 3.960 -0.000 0.000 0.194 357 G C 1.556 176.460 174.900 0.006 0.000 1.010 357 G CA 1.355 46.461 45.100 0.011 0.000 0.771 357 G HN 2.281 nan 8.290 nan 0.000 0.485 358 A N 0.945 123.765 122.820 -0.000 0.000 1.898 358 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 358 A C 2.662 180.237 177.584 -0.015 0.000 1.181 358 A CA 3.280 55.312 52.037 -0.009 0.000 0.620 358 A CB -1.132 17.857 19.000 -0.017 0.000 0.819 358 A HN 1.343 nan 8.150 nan 0.000 0.442 359 T N -2.653 111.895 114.554 -0.009 0.000 2.821 359 T HA 0.036 4.386 4.350 -0.000 0.000 0.267 359 T C 1.922 176.626 174.700 0.007 0.000 1.046 359 T CA 1.600 63.698 62.100 -0.003 0.000 1.139 359 T CB -0.925 67.954 68.868 0.019 0.000 0.871 359 T HN 0.394 nan 8.240 nan 0.000 0.454 360 G N 1.232 110.038 108.800 0.011 0.000 2.421 360 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 360 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 360 G C 1.732 176.639 174.900 0.013 0.000 1.171 360 G CA 1.377 46.486 45.100 0.014 0.000 0.775 360 G HN 0.526 nan 8.290 nan 0.000 0.543 361 T N 1.254 115.813 114.554 0.008 0.000 2.737 361 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 361 T C 2.521 177.224 174.700 0.005 0.000 1.038 361 T CA 1.264 63.368 62.100 0.008 0.000 1.144 361 T CB -0.212 68.659 68.868 0.006 0.000 0.866 361 T HN 0.155 nan 8.240 nan 0.000 0.434 362 M N 0.648 120.245 119.600 -0.006 0.000 2.213 362 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 362 M C 2.375 178.671 176.300 -0.007 0.000 1.062 362 M CA 1.398 56.687 55.300 -0.018 0.000 1.105 362 M CB -0.288 32.286 32.600 -0.044 0.000 1.385 362 M HN 0.152 nan 8.290 nan 0.000 0.417 363 K N 0.973 121.377 120.400 0.007 0.000 2.062 363 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 363 K C 1.862 178.482 176.600 0.035 0.000 1.051 363 K CA 1.633 57.934 56.287 0.023 0.000 0.941 363 K CB -0.016 32.501 32.500 0.029 0.000 0.719 363 K HN 0.493 nan 8.250 nan 0.000 0.440 364 E N 0.888 121.106 120.200 0.030 0.000 2.106 364 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 364 E C 2.026 178.652 176.600 0.043 0.000 0.984 364 E CA 0.949 57.370 56.400 0.036 0.000 0.806 364 E CB -0.349 29.367 29.700 0.028 0.000 0.750 364 E HN 0.304 nan 8.360 nan 0.000 0.458 365 L N 0.563 121.807 121.223 0.035 0.000 2.141 365 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 365 L C 2.696 179.606 176.870 0.066 0.000 1.094 365 L CA 0.698 55.564 54.840 0.043 0.000 0.763 365 L CB -0.386 41.689 42.059 0.027 0.000 0.908 365 L HN 0.220 nan 8.230 nan 0.000 0.437 366 L N -0.146 121.110 121.223 0.055 0.000 2.056 366 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 366 L C 2.847 179.841 176.870 0.206 0.000 1.078 366 L CA 1.072 55.965 54.840 0.089 0.000 0.749 366 L CB -0.505 41.546 42.059 -0.012 0.000 0.901 366 L HN 0.221 nan 8.230 nan 0.000 0.433 367 A N -0.485 122.419 122.820 0.140 0.000 2.019 367 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 367 A C 2.091 179.744 177.584 0.114 0.000 1.164 367 A CA 1.480 53.596 52.037 0.131 0.000 0.644 367 A CB -0.355 18.697 19.000 0.087 0.000 0.805 367 A HN 0.453 nan 8.150 nan 0.000 0.449 368 E N -0.596 119.666 120.200 0.102 0.000 2.216 368 E HA 0.032 4.382 4.350 -0.000 0.000 0.192 368 E C 1.815 178.477 176.600 0.102 0.000 0.988 368 E CA 0.626 57.075 56.400 0.082 0.000 0.834 368 E CB -0.113 29.625 29.700 0.063 0.000 0.772 368 E HN 0.603 nan 8.360 nan 0.000 0.479 369 A N 0.189 123.111 122.820 0.170 0.000 2.251 369 A HA 0.291 4.611 4.320 -0.000 0.000 0.209 369 A C 1.414 179.121 177.584 0.206 0.000 1.187 369 A CA 0.682 52.855 52.037 0.226 0.000 0.823 369 A CB -0.095 19.107 19.000 0.337 0.000 0.846 369 A HN 0.271 nan 8.150 nan 0.000 0.486 370 G N -1.534 107.349 108.800 0.139 0.000 2.165 370 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.226 370 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.226 370 G C -0.215 174.580 174.900 -0.175 0.000 1.035 370 G CA -0.041 45.048 45.100 -0.018 0.000 0.744 370 G HN 0.314 nan 8.290 nan 0.000 0.501 371 F N 0.096 120.080 119.950 0.056 0.000 2.470 371 F HA 0.554 5.081 4.527 -0.000 0.000 0.329 371 F C 0.417 176.238 175.800 0.036 0.000 1.072 371 F CA -0.984 57.042 58.000 0.044 0.000 0.989 371 F CB 1.579 40.601 39.000 0.036 0.000 1.193 371 F HN 0.017 nan 8.300 nan 0.000 0.481 372 D N 2.257 122.773 120.400 0.194 0.000 2.411 372 D HA 0.182 4.822 4.640 -0.000 0.000 0.225 372 D C -0.761 175.619 176.300 0.133 0.000 1.156 372 D CA -0.171 53.904 54.000 0.125 0.000 0.874 372 D CB 0.766 41.614 40.800 0.079 0.000 1.034 372 D HN 0.169 nan 8.370 nan 0.000 0.502 373 V N 4.803 124.787 119.914 0.116 0.000 2.381 373 V HA 0.223 4.343 4.120 -0.000 0.000 0.257 373 V C 1.693 177.829 176.094 0.070 0.000 1.057 373 V CA 0.078 62.432 62.300 0.091 0.000 1.013 373 V CB 0.009 31.877 31.823 0.075 0.000 1.069 373 V HN 0.691 nan 8.190 nan 0.000 0.484 374 A N 4.392 127.252 122.820 0.067 0.000 1.930 374 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 374 A C 1.139 178.751 177.584 0.047 0.000 1.175 374 A CA 1.502 53.570 52.037 0.053 0.000 0.627 374 A CB -0.215 18.814 19.000 0.049 0.000 0.815 374 A HN 1.098 nan 8.150 nan 0.000 0.443 375 C N -4.337 114.994 119.300 0.052 0.000 3.233 375 C HA 0.744 5.204 4.460 -0.000 0.000 0.358 375 C C -0.989 174.039 174.990 0.063 0.000 1.461 375 C CA -0.877 58.171 59.018 0.050 0.000 1.180 375 C CB 1.044 28.809 27.740 0.042 0.000 1.604 375 C HN 0.532 nan 8.230 nan 0.000 0.437 376 E N 0.123 120.361 120.200 0.063 0.000 2.308 376 E HA 0.562 4.912 4.350 -0.000 0.000 0.275 376 E C -1.554 175.096 176.600 0.083 0.000 0.890 376 E CA -0.093 56.354 56.400 0.078 0.000 0.754 376 E CB 1.659 31.395 29.700 0.059 0.000 1.207 376 E HN 0.665 nan 8.360 nan 0.000 0.426 377 E N 3.222 123.494 120.200 0.122 0.000 2.235 377 E HA 0.226 4.576 4.350 -0.000 0.000 0.252 377 E C -1.317 175.363 176.600 0.134 0.000 0.886 377 E CA -0.334 56.135 56.400 0.114 0.000 0.767 377 E CB 1.748 31.508 29.700 0.099 0.000 1.205 377 E HN 0.522 nan 8.360 nan 0.000 0.421 378 E N 1.966 122.222 120.200 0.092 0.000 2.199 378 E HA 0.556 4.906 4.350 -0.000 0.000 0.269 378 E C -1.252 175.396 176.600 0.079 0.000 0.899 378 E CA -0.799 55.651 56.400 0.083 0.000 0.772 378 E CB 1.718 31.453 29.700 0.057 0.000 1.155 378 E HN 0.094 nan 8.360 nan 0.000 0.408 379 V N 3.942 123.907 119.914 0.086 0.000 2.789 379 V HA 0.184 4.304 4.120 -0.000 0.000 0.311 379 V C -1.216 174.945 176.094 0.112 0.000 1.073 379 V CA -0.887 61.472 62.300 0.098 0.000 0.921 379 V CB 1.702 33.579 31.823 0.091 0.000 1.009 379 V HN 0.682 nan 8.190 nan 0.000 0.426 380 Y N 5.755 126.042 120.300 -0.022 0.000 2.486 380 Y HA 0.484 5.034 4.550 -0.000 0.000 0.348 380 Y C 0.372 176.284 175.900 0.020 0.000 1.000 380 Y CA -0.177 57.870 58.100 -0.088 0.000 1.253 380 Y CB -0.477 37.941 38.460 -0.070 0.000 1.140 380 Y HN 0.702 nan 8.280 nan 0.000 0.526 381 Y N 1.237 121.373 120.300 -0.273 0.000 2.864 381 Y HA -0.395 4.155 4.550 -0.000 0.000 0.468 381 Y C 0.426 176.261 175.900 -0.108 0.000 1.175 381 Y CA 0.653 58.596 58.100 -0.261 0.000 2.601 381 Y CB -1.824 36.358 38.460 -0.465 0.000 1.207 381 Y HN 0.286 nan 8.280 nan 0.000 0.627 382 V N 5.010 124.989 119.914 0.109 0.000 2.470 382 V HA 0.184 4.304 4.120 -0.000 0.000 0.276 382 V C -1.832 174.293 176.094 0.051 0.000 1.040 382 V CA -1.164 61.163 62.300 0.045 0.000 1.008 382 V CB 0.557 32.378 31.823 -0.003 0.000 0.990 382 V HN 0.322 nan 8.190 nan 0.000 0.477 383 P HA 0.124 nan 4.420 nan 0.000 0.268 383 P C 0.209 177.527 177.300 0.031 0.000 1.204 383 P CA -0.024 63.102 63.100 0.044 0.000 0.768 383 P CB 0.450 32.169 31.700 0.031 0.000 0.842 384 T N -0.635 113.942 114.554 0.038 0.000 2.766 384 T HA 0.197 4.547 4.350 -0.000 0.000 0.295 384 T C 1.885 176.593 174.700 0.013 0.000 1.024 384 T CA 0.129 62.244 62.100 0.025 0.000 1.018 384 T CB 0.035 68.921 68.868 0.031 0.000 1.002 384 T HN 0.451 nan 8.240 nan 0.000 0.532 385 G N 0.220 109.022 108.800 0.003 0.000 2.505 385 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 385 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 385 G C 1.275 176.171 174.900 -0.007 0.000 1.145 385 G CA 0.924 46.019 45.100 -0.007 0.000 0.761 385 G HN 0.859 nan 8.290 nan 0.000 0.571 386 D N 0.321 120.721 120.400 -0.000 0.000 2.149 386 D HA -0.043 4.596 4.640 -0.000 0.000 0.201 386 D C 2.459 178.766 176.300 0.013 0.000 0.972 386 D CA 0.828 54.829 54.000 0.001 0.000 0.835 386 D CB -0.036 40.767 40.800 0.005 0.000 0.966 386 D HN 0.467 nan 8.370 nan 0.000 0.476 387 E N 0.069 120.283 120.200 0.022 0.000 2.150 387 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 387 E C 1.943 178.560 176.600 0.027 0.000 0.985 387 E CA 0.270 56.688 56.400 0.031 0.000 0.814 387 E CB 0.174 29.900 29.700 0.043 0.000 0.752 387 E HN 0.086 nan 8.360 nan 0.000 0.466 388 L N 1.367 122.602 121.223 0.020 0.000 2.109 388 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 388 L C 1.617 178.515 176.870 0.046 0.000 1.086 388 L CA 1.642 56.494 54.840 0.021 0.000 0.760 388 L CB -0.658 41.407 42.059 0.010 0.000 0.910 388 L HN 0.056 nan 8.230 nan 0.000 0.437 389 D N -0.346 120.067 120.400 0.023 0.000 2.149 389 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 389 D C 2.188 178.540 176.300 0.087 0.000 0.990 389 D CA 1.406 55.417 54.000 0.019 0.000 0.839 389 D CB 0.027 40.801 40.800 -0.044 0.000 0.948 389 D HN 0.309 nan 8.370 nan 0.000 0.460 390 A N 0.165 123.019 122.820 0.058 0.000 1.969 390 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 390 A C 2.470 180.086 177.584 0.053 0.000 1.169 390 A CA 1.005 53.077 52.037 0.058 0.000 0.635 390 A CB -0.724 18.299 19.000 0.039 0.000 0.810 390 A HN 0.335 nan 8.150 nan 0.000 0.445 391 C N -2.152 117.170 119.300 0.037 0.000 2.466 391 C HA 0.003 4.463 4.460 -0.000 0.000 0.278 391 C C 2.348 177.335 174.990 -0.005 0.000 1.288 391 C CA 0.689 59.690 59.018 -0.029 0.000 1.722 391 C CB -1.629 26.059 27.740 -0.086 0.000 2.017 391 C HN 0.715 nan 8.230 nan 0.000 0.488 392 F N 2.485 122.390 119.950 -0.075 0.000 2.065 392 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 392 F C 2.432 178.203 175.800 -0.049 0.000 1.112 392 F CA 2.389 60.353 58.000 -0.061 0.000 1.212 392 F CB -0.306 38.669 39.000 -0.042 0.000 0.975 392 F HN 0.135 nan 8.300 nan 0.000 0.476 393 E N 0.741 121.108 120.200 0.278 0.000 2.118 393 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 393 E C 2.044 178.650 176.600 0.011 0.000 0.992 393 E CA 1.463 57.960 56.400 0.161 0.000 0.804 393 E CB -0.566 29.221 29.700 0.146 0.000 0.741 393 E HN 0.460 nan 8.360 nan 0.000 0.458 394 A N -0.160 122.650 122.820 -0.017 0.000 1.929 394 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 394 A C 2.440 179.971 177.584 -0.090 0.000 1.176 394 A CA 1.536 53.548 52.037 -0.042 0.000 0.628 394 A CB -1.080 17.897 19.000 -0.038 0.000 0.816 394 A HN 0.394 nan 8.150 nan 0.000 0.444 395 G N -0.774 107.931 108.800 -0.159 0.000 2.402 395 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 395 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 395 G C 1.743 176.518 174.900 -0.209 0.000 1.162 395 G CA 0.851 45.833 45.100 -0.198 0.000 0.777 395 G HN 0.478 nan 8.290 nan 0.000 0.539 396 R N 0.500 120.832 120.500 -0.279 0.000 2.080 396 R HA -0.073 4.267 4.340 -0.000 0.000 0.236 396 R C 2.533 178.774 176.300 -0.099 0.000 1.137 396 R CA 1.734 57.697 56.100 -0.227 0.000 0.943 396 R CB -0.297 29.874 30.300 -0.216 0.000 0.846 396 R HN 0.262 nan 8.270 nan 0.000 0.431 397 K N 0.178 120.542 120.400 -0.060 0.000 2.063 397 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 397 K C 2.108 178.693 176.600 -0.024 0.000 1.048 397 K CA 1.221 57.492 56.287 -0.026 0.000 0.928 397 K CB -0.203 32.292 32.500 -0.007 0.000 0.713 397 K HN 0.071 nan 8.250 nan 0.000 0.442 398 L N 0.760 121.961 121.223 -0.036 0.000 2.017 398 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 398 L C 2.181 179.037 176.870 -0.023 0.000 1.073 398 L CA 1.861 56.688 54.840 -0.021 0.000 0.745 398 L CB -0.588 41.456 42.059 -0.026 0.000 0.894 398 L HN 0.136 nan 8.230 nan 0.000 0.432 399 A N -0.691 122.101 122.820 -0.047 0.000 1.877 399 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 399 A C 2.449 180.019 177.584 -0.025 0.000 1.186 399 A CA 1.895 53.907 52.037 -0.042 0.000 0.620 399 A CB -1.247 17.711 19.000 -0.070 0.000 0.822 399 A HN 0.539 nan 8.150 nan 0.000 0.443 400 A N -0.289 122.515 122.820 -0.026 0.000 1.908 400 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 400 A C 1.967 179.550 177.584 -0.002 0.000 1.181 400 A CA 2.315 54.345 52.037 -0.012 0.000 0.627 400 A CB -0.516 18.479 19.000 -0.009 0.000 0.818 400 A HN 0.561 nan 8.150 nan 0.000 0.445 401 E N 0.566 120.766 120.200 0.001 0.000 2.110 401 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 401 E C 1.507 178.114 176.600 0.012 0.000 0.988 401 E CA 1.626 58.031 56.400 0.009 0.000 0.804 401 E CB -0.505 29.203 29.700 0.013 0.000 0.745 401 E HN 0.781 nan 8.360 nan 0.000 0.458 402 I N -1.878 118.699 120.570 0.011 0.000 3.684 402 I HA 0.198 4.368 4.170 -0.000 0.000 0.304 402 I C 0.935 177.060 176.117 0.013 0.000 1.278 402 I CA 0.006 61.315 61.300 0.015 0.000 1.272 402 I CB -0.007 38.005 38.000 0.019 0.000 1.029 402 I HN -0.183 nan 8.210 nan 0.000 0.458 403 R N 0.000 120.505 120.500 0.008 0.000 2.786 403 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 403 R CA 0.000 56.105 56.100 0.008 0.000 0.921 403 R CB 0.000 30.302 30.300 0.004 0.000 0.687 403 R HN 0.000 nan 8.270 nan 0.000 0.535