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 2isa_1_B DATA FIRST_RESID 3 DATA SEQUENCE SKKLTTAAGC PVAHNQNVQT AGKRGPQLLQ DVWFLEKLAH FDREVIPERR DATA SEQUENCE XHAKGSGAYG TFTVTHDITK YTKAKIFSDI GKKTDMFARF STVAGERGAA DATA SEQUENCE DAERDIRGFS LKFYTEEGNW DLAGNNTPVF FLRDPLKFPD LNHAVKRDPR DATA SEQUENCE TNMRSAKNNW DFWTSLPEAL HQVTIVMSDR GIPATYRHMH GFGSHTFSFI DATA SEQUENCE NSDNERYWVK FHFVSQQGIK NLSDAEAGEL VGNDRESHQR DLLDSIDNQD DATA SEQUENCE FPKWTLKVQI MPEADAATVP YNPFDLTKVW PHKDYPLIEV GEFELNRNPQ DATA SEQUENCE NYFAEVEQAA FNPANVVPGI SFSPDKMLQG RLFAYGDAQR YRLGVNHQHI DATA SEQUENCE PVNAPRCPVH SYHRDGAMRV DGNFGSTLGY EPNDQGQWAE QPDFSEPPLN DATA SEQUENCE LDGAAAHWDH REDEDYFSQP GDLFGLMTAE KQAILFDNTA RNLNGVPKEI DATA SEQUENCE QLRHVTHCYK ADPAYGEGIG KLLGFDISEY NS 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.586 174.600 -0.023 0.000 1.055 3 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 3 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 4 K N -0.158 120.230 120.400 -0.020 0.000 3.349 4 K HA -0.209 4.110 4.320 -0.001 0.000 0.310 4 K C -0.456 176.125 176.600 -0.033 0.000 1.267 4 K CA 1.178 57.453 56.287 -0.020 0.000 0.920 4 K CB -1.074 31.418 32.500 -0.013 0.000 1.240 4 K HN 0.547 nan 8.250 nan 0.000 0.453 5 K N 1.045 121.418 120.400 -0.045 0.000 2.172 5 K HA 0.330 4.650 4.320 -0.001 0.000 0.276 5 K C -0.208 176.338 176.600 -0.090 0.000 1.013 5 K CA -0.826 55.420 56.287 -0.068 0.000 0.913 5 K CB 1.025 33.482 32.500 -0.071 0.000 1.055 5 K HN -0.005 nan 8.250 nan 0.000 0.461 6 L N 2.803 123.949 121.223 -0.129 0.000 2.331 6 L HA 0.264 4.603 4.340 -0.001 0.000 0.278 6 L C -0.118 176.589 176.870 -0.272 0.000 1.106 6 L CA 0.678 55.404 54.840 -0.191 0.000 0.824 6 L CB 0.904 42.825 42.059 -0.230 0.000 1.142 6 L HN 0.855 nan 8.230 nan 0.000 0.443 7 T N 0.264 114.658 114.554 -0.267 0.000 2.864 7 T HA 0.682 5.031 4.350 -0.001 0.000 0.289 7 T C 0.102 174.621 174.700 -0.301 0.000 1.082 7 T CA -0.129 61.808 62.100 -0.272 0.000 1.009 7 T CB 1.151 69.935 68.868 -0.140 0.000 1.234 7 T HN 0.774 nan 8.240 nan 0.000 0.526 8 T N -1.059 113.380 114.554 -0.192 0.000 2.788 8 T HA 0.551 4.900 4.350 -0.001 0.000 0.287 8 T C 1.869 176.588 174.700 0.032 0.000 1.007 8 T CA -0.253 61.856 62.100 0.016 0.000 1.005 8 T CB 0.272 69.193 68.868 0.089 0.000 1.012 8 T HN 1.071 nan 8.240 nan 0.000 0.530 9 A N 0.662 123.521 122.820 0.065 0.000 2.024 9 A HA 0.178 4.498 4.320 -0.001 0.000 0.220 9 A C 2.378 179.981 177.584 0.033 0.000 1.164 9 A CA 1.571 53.625 52.037 0.029 0.000 0.643 9 A CB -1.329 17.688 19.000 0.028 0.000 0.806 9 A HN 1.259 nan 8.150 nan 0.000 0.451 10 A N -2.038 120.805 122.820 0.039 0.000 2.307 10 A HA 0.441 4.760 4.320 -0.001 0.000 0.218 10 A C 1.673 179.261 177.584 0.006 0.000 1.228 10 A CA 1.057 53.110 52.037 0.027 0.000 0.857 10 A CB -0.826 18.195 19.000 0.036 0.000 0.897 10 A HN 1.852 nan 8.150 nan 0.000 0.495 11 G N -1.600 107.195 108.800 -0.008 0.000 2.141 11 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.242 11 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.242 11 G C 0.399 175.273 174.900 -0.044 0.000 0.982 11 G CA 0.166 45.249 45.100 -0.029 0.000 0.662 11 G HN 1.080 nan 8.290 nan 0.000 0.527 12 C N 2.268 121.543 119.300 -0.043 0.000 2.585 12 C HA 0.601 5.061 4.460 -0.001 0.000 0.406 12 C C -1.221 173.702 174.990 -0.111 0.000 1.312 12 C CA -1.665 57.319 59.018 -0.056 0.000 1.924 12 C CB 0.122 27.845 27.740 -0.028 0.000 2.578 12 C HN 0.391 nan 8.230 nan 0.000 0.580 13 P HA 0.132 nan 4.420 nan 0.000 0.269 13 P C -0.925 176.241 177.300 -0.224 0.000 1.209 13 P CA 0.139 63.144 63.100 -0.159 0.000 0.776 13 P CB 0.326 31.953 31.700 -0.121 0.000 0.876 14 V N 2.924 122.636 119.914 -0.338 0.000 2.350 14 V HA 0.310 4.430 4.120 -0.001 0.000 0.276 14 V C 1.227 177.117 176.094 -0.339 0.000 1.028 14 V CA 0.167 62.188 62.300 -0.465 0.000 0.860 14 V CB 0.563 31.798 31.823 -0.979 0.000 0.990 14 V HN 0.682 nan 8.190 nan 0.000 0.453 15 A N 3.834 126.493 122.820 -0.269 0.000 1.935 15 A HA 0.095 4.415 4.320 -0.001 0.000 0.214 15 A C 0.862 178.136 177.584 -0.517 0.000 1.178 15 A CA 0.809 52.626 52.037 -0.368 0.000 0.640 15 A CB 0.032 18.810 19.000 -0.371 0.000 0.825 15 A HN 0.790 nan 8.150 nan 0.000 0.447 16 H N -0.682 118.358 119.070 -0.051 0.000 2.860 16 H HA 0.271 4.826 4.556 -0.001 0.000 0.312 16 H C -0.745 174.649 175.328 0.110 0.000 0.995 16 H CA -0.348 55.717 56.048 0.029 0.000 1.311 16 H CB 1.057 30.857 29.762 0.063 0.000 1.478 16 H HN 0.388 nan 8.280 nan 0.000 0.508 17 N N 1.247 120.057 118.700 0.182 0.000 2.200 17 N HA -0.025 4.714 4.740 -0.001 0.000 0.224 17 N C 0.691 176.327 175.510 0.210 0.000 1.179 17 N CA 0.132 53.348 53.050 0.276 0.000 0.877 17 N CB 0.704 39.311 38.487 0.200 0.000 1.072 17 N HN 0.380 nan 8.380 nan 0.000 0.519 18 Q N -0.825 119.076 119.800 0.169 0.000 2.422 18 Q HA 0.339 4.678 4.340 -0.001 0.000 0.255 18 Q C -0.551 175.505 176.000 0.093 0.000 0.864 18 Q CA 0.520 56.390 55.803 0.112 0.000 0.968 18 Q CB 0.580 29.369 28.738 0.084 0.000 1.130 18 Q HN 0.220 nan 8.270 nan 0.000 0.556 19 N N 0.984 119.748 118.700 0.108 0.000 2.352 19 N HA 0.282 5.021 4.740 -0.001 0.000 0.291 19 N C -0.342 175.185 175.510 0.029 0.000 1.040 19 N CA -0.215 52.863 53.050 0.047 0.000 0.864 19 N CB 3.290 41.790 38.487 0.022 0.000 1.440 19 N HN -0.088 nan 8.380 nan 0.000 0.483 20 V N -0.159 119.742 119.914 -0.022 0.000 3.003 20 V HA 0.253 4.372 4.120 -0.001 0.000 0.305 20 V C 0.627 176.663 176.094 -0.096 0.000 1.078 20 V CA -0.568 61.691 62.300 -0.068 0.000 1.083 20 V CB 0.864 32.557 31.823 -0.216 0.000 1.039 20 V HN 0.626 nan 8.190 nan 0.000 0.481 21 Q N 1.693 121.437 119.800 -0.093 0.000 2.288 21 Q HA 0.486 4.826 4.340 -0.001 0.000 0.258 21 Q C -0.064 175.879 176.000 -0.094 0.000 0.957 21 Q CA -0.025 55.720 55.803 -0.096 0.000 0.919 21 Q CB 1.021 29.720 28.738 -0.064 0.000 1.185 21 Q HN 1.125 nan 8.270 nan 0.000 0.408 22 T N -0.761 113.743 114.554 -0.083 0.000 2.901 22 T HA 0.656 5.006 4.350 -0.001 0.000 0.293 22 T C -0.424 174.244 174.700 -0.054 0.000 1.084 22 T CA -0.876 61.181 62.100 -0.072 0.000 1.008 22 T CB 1.620 70.445 68.868 -0.072 0.000 1.170 22 T HN 0.521 nan 8.240 nan 0.000 0.509 23 A N 1.262 124.055 122.820 -0.045 0.000 2.981 23 A HA 0.657 4.976 4.320 -0.001 0.000 0.280 23 A C 1.264 178.829 177.584 -0.031 0.000 1.743 23 A CA 0.276 52.292 52.037 -0.034 0.000 1.430 23 A CB -1.749 17.234 19.000 -0.028 0.000 1.085 23 A HN 2.150 nan 8.150 nan 0.000 0.597 24 G N 0.682 109.463 108.800 -0.032 0.000 2.756 24 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.678 24 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.678 24 G C 0.581 175.463 174.900 -0.031 0.000 1.349 24 G CA 0.010 45.093 45.100 -0.028 0.000 0.847 24 G HN 0.530 nan 8.290 nan 0.000 0.548 25 K N -0.339 120.046 120.400 -0.026 0.000 2.044 25 K HA -0.092 4.228 4.320 -0.001 0.000 0.210 25 K C 1.981 178.565 176.600 -0.028 0.000 1.049 25 K CA 1.592 57.863 56.287 -0.026 0.000 0.927 25 K CB -0.109 32.379 32.500 -0.019 0.000 0.713 25 K HN 0.321 nan 8.250 nan 0.000 0.443 26 R N 0.150 120.635 120.500 -0.025 0.000 2.586 26 R HA 0.172 4.511 4.340 -0.001 0.000 0.336 26 R C 0.292 176.575 176.300 -0.028 0.000 1.060 26 R CA -0.066 56.019 56.100 -0.026 0.000 1.079 26 R CB 1.032 31.320 30.300 -0.020 0.000 1.317 26 R HN 0.104 nan 8.270 nan 0.000 0.568 27 G N 1.695 110.476 108.800 -0.032 0.000 2.502 27 G HA2 0.474 4.434 3.960 -0.001 0.000 0.305 27 G HA3 0.474 4.434 3.960 -0.001 0.000 0.305 27 G C -2.491 172.383 174.900 -0.043 0.000 1.190 27 G CA -0.970 44.110 45.100 -0.034 0.000 0.933 27 G HN -0.094 nan 8.290 nan 0.000 0.503 28 P HA 0.130 nan 4.420 nan 0.000 0.272 28 P C -0.230 177.029 177.300 -0.068 0.000 1.240 28 P CA -0.372 62.697 63.100 -0.052 0.000 0.791 28 P CB 0.508 32.184 31.700 -0.040 0.000 0.978 29 Q N 0.540 120.285 119.800 -0.093 0.000 2.327 29 Q HA 0.254 4.593 4.340 -0.001 0.000 0.254 29 Q C -0.880 175.067 176.000 -0.089 0.000 0.952 29 Q CA -0.282 55.446 55.803 -0.125 0.000 0.884 29 Q CB 0.185 28.796 28.738 -0.211 0.000 1.224 29 Q HN 0.340 nan 8.270 nan 0.000 0.422 30 L N 4.408 125.583 121.223 -0.079 0.000 2.312 30 L HA 0.103 4.442 4.340 -0.001 0.000 0.281 30 L C 1.048 177.907 176.870 -0.019 0.000 1.070 30 L CA -0.509 54.307 54.840 -0.040 0.000 0.805 30 L CB 0.882 42.924 42.059 -0.029 0.000 1.174 30 L HN 0.793 nan 8.230 nan 0.000 0.434 31 L N 3.069 124.296 121.223 0.006 0.000 2.079 31 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 31 L C 2.453 179.359 176.870 0.061 0.000 1.081 31 L CA 1.884 56.748 54.840 0.040 0.000 0.752 31 L CB -0.518 41.563 42.059 0.036 0.000 0.896 31 L HN 0.846 nan 8.230 nan 0.000 0.433 32 Q N -1.276 118.551 119.800 0.045 0.000 2.541 32 Q HA -0.146 4.194 4.340 -0.001 0.000 0.215 32 Q C 0.219 176.266 176.000 0.079 0.000 0.977 32 Q CA 0.610 56.447 55.803 0.056 0.000 0.934 32 Q CB -0.631 28.130 28.738 0.038 0.000 0.988 32 Q HN 0.396 nan 8.270 nan 0.000 0.521 33 D N 1.844 122.297 120.400 0.087 0.000 2.455 33 D HA 0.000 4.640 4.640 -0.001 0.000 0.234 33 D C 1.138 177.561 176.300 0.206 0.000 1.224 33 D CA -0.093 53.990 54.000 0.137 0.000 0.999 33 D CB 1.229 42.091 40.800 0.104 0.000 1.072 33 D HN 0.234 nan 8.370 nan 0.000 0.514 34 V N 2.547 122.576 119.914 0.192 0.000 2.951 34 V HA -0.011 4.108 4.120 -0.001 0.000 0.255 34 V C 2.102 178.334 176.094 0.229 0.000 1.088 34 V CA 0.333 62.742 62.300 0.180 0.000 1.109 34 V CB -0.848 31.060 31.823 0.142 0.000 0.724 34 V HN 0.596 nan 8.190 nan 0.000 0.471 35 W N 0.691 122.048 121.300 0.094 0.000 2.355 35 W HA -0.247 4.412 4.660 -0.000 0.000 0.309 35 W C 2.272 178.840 176.519 0.082 0.000 1.206 35 W CA 1.723 59.112 57.345 0.073 0.000 1.284 35 W CB -0.364 29.142 29.460 0.076 0.000 1.145 35 W HN 0.399 nan 8.180 nan 0.000 0.502 36 F N 1.758 121.628 119.950 -0.134 0.000 2.091 36 F HA -0.277 4.249 4.527 -0.001 0.000 0.299 36 F C 2.271 177.937 175.800 -0.224 0.000 1.103 36 F CA 2.485 60.334 58.000 -0.251 0.000 1.228 36 F CB -0.963 37.981 39.000 -0.094 0.000 0.984 36 F HN -0.212 nan 8.300 nan 0.000 0.477 37 L N 0.154 121.255 121.223 -0.202 0.000 2.017 37 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 37 L C 2.612 179.312 176.870 -0.283 0.000 1.073 37 L CA 2.070 56.758 54.840 -0.254 0.000 0.745 37 L CB -0.970 41.094 42.059 0.008 0.000 0.894 37 L HN 0.292 nan 8.230 nan 0.000 0.432 38 E N 0.650 120.735 120.200 -0.192 0.000 2.051 38 E HA -0.286 4.064 4.350 -0.001 0.000 0.192 38 E C 2.271 178.702 176.600 -0.281 0.000 0.991 38 E CA 1.380 57.711 56.400 -0.115 0.000 0.799 38 E CB 0.047 29.750 29.700 0.005 0.000 0.748 38 E HN 0.283 nan 8.360 nan 0.000 0.449 39 K N 0.129 120.099 120.400 -0.717 0.000 2.057 39 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 39 K C 2.182 178.521 176.600 -0.434 0.000 1.049 39 K CA 1.008 56.809 56.287 -0.809 0.000 0.931 39 K CB 0.017 31.724 32.500 -1.321 0.000 0.714 39 K HN 0.190 nan 8.250 nan 0.000 0.440 40 L N 0.488 121.386 121.223 -0.542 0.000 2.109 40 L HA -0.040 4.299 4.340 -0.001 0.000 0.207 40 L C 2.525 179.317 176.870 -0.129 0.000 1.086 40 L CA 1.555 56.179 54.840 -0.360 0.000 0.760 40 L CB -1.191 40.462 42.059 -0.678 0.000 0.910 40 L HN 0.271 nan 8.230 nan 0.000 0.437 41 A N -1.261 121.460 122.820 -0.165 0.000 1.930 41 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 41 A C 2.105 179.642 177.584 -0.078 0.000 1.175 41 A CA 1.095 53.072 52.037 -0.100 0.000 0.627 41 A CB -0.677 18.265 19.000 -0.097 0.000 0.815 41 A HN 0.444 nan 8.150 nan 0.000 0.443 42 H N -2.393 116.613 119.070 -0.105 0.000 2.357 42 H HA -0.116 4.440 4.556 -0.001 0.000 0.301 42 H C 2.003 177.299 175.328 -0.053 0.000 1.082 42 H CA 1.786 57.790 56.048 -0.074 0.000 1.342 42 H CB -0.311 29.412 29.762 -0.064 0.000 1.389 42 H HN 0.602 nan 8.280 nan 0.000 0.511 43 F N 2.589 122.507 119.950 -0.054 0.000 2.126 43 F HA -0.208 4.319 4.527 -0.001 0.000 0.299 43 F C 1.719 177.462 175.800 -0.096 0.000 1.096 43 F CA 1.445 59.390 58.000 -0.091 0.000 1.255 43 F CB -0.276 38.650 39.000 -0.124 0.000 0.997 43 F HN -0.019 nan 8.300 nan 0.000 0.479 44 D N 0.084 120.372 120.400 -0.186 0.000 2.351 44 D HA -0.096 4.544 4.640 -0.001 0.000 0.216 44 D C 1.582 177.729 176.300 -0.255 0.000 0.968 44 D CA 0.952 54.794 54.000 -0.264 0.000 0.899 44 D CB -0.225 40.509 40.800 -0.110 0.000 0.907 44 D HN 0.412 nan 8.370 nan 0.000 0.514 45 R N -0.119 120.245 120.500 -0.227 0.000 2.596 45 R HA 0.183 4.522 4.340 -0.001 0.000 0.369 45 R C 1.148 177.327 176.300 -0.201 0.000 1.042 45 R CA -0.096 55.888 56.100 -0.193 0.000 1.120 45 R CB 0.621 30.813 30.300 -0.180 0.000 1.353 45 R HN 0.112 nan 8.270 nan 0.000 0.564 46 E N 0.387 120.431 120.200 -0.259 0.000 2.150 46 E HA -0.052 4.298 4.350 -0.001 0.000 0.193 46 E C 0.192 176.622 176.600 -0.285 0.000 0.985 46 E CA 0.747 56.972 56.400 -0.291 0.000 0.814 46 E CB 0.363 29.878 29.700 -0.307 0.000 0.752 46 E HN -0.011 nan 8.360 nan 0.000 0.466 47 V N 3.094 122.890 119.914 -0.198 0.000 2.546 47 V HA 0.185 4.305 4.120 -0.001 0.000 0.284 47 V C 0.347 176.422 176.094 -0.031 0.000 1.050 47 V CA -0.328 61.916 62.300 -0.095 0.000 0.981 47 V CB 0.782 32.550 31.823 -0.091 0.000 0.990 47 V HN 0.122 nan 8.190 nan 0.000 0.474 48 I N 2.889 123.501 120.570 0.071 0.000 2.982 48 I HA 0.742 4.912 4.170 -0.001 0.000 0.312 48 I C -2.497 173.631 176.117 0.018 0.000 1.041 48 I CA -2.799 58.524 61.300 0.039 0.000 1.053 48 I CB 1.645 39.698 38.000 0.088 0.000 1.248 48 I HN 0.354 nan 8.210 nan 0.000 0.471 49 P HA 0.090 nan 4.420 nan 0.000 0.268 49 P C -0.926 176.390 177.300 0.026 0.000 1.205 49 P CA -0.083 63.016 63.100 -0.002 0.000 0.771 49 P CB 0.392 32.079 31.700 -0.022 0.000 0.858 50 E N 2.688 122.920 120.200 0.053 0.000 2.392 50 E HA 0.155 4.505 4.350 -0.001 0.000 0.256 50 E C -0.451 176.185 176.600 0.060 0.000 1.145 50 E CA -0.778 55.659 56.400 0.062 0.000 0.929 50 E CB 0.589 30.333 29.700 0.073 0.000 0.998 50 E HN 0.258 nan 8.360 nan 0.000 0.442 51 R N 1.002 121.538 120.500 0.060 0.000 2.640 51 R HA 0.029 4.368 4.340 -0.001 0.000 0.270 51 R C 0.484 176.831 176.300 0.077 0.000 1.024 51 R CA -0.283 55.852 56.100 0.059 0.000 1.085 51 R CB 0.297 30.643 30.300 0.076 0.000 0.963 51 R HN 0.468 nan 8.270 nan 0.000 0.426 55 A N 1.036 123.952 122.820 0.161 0.000 1.940 55 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 55 A C 1.455 179.126 177.584 0.144 0.000 1.176 55 A CA 1.418 53.534 52.037 0.131 0.000 0.631 55 A CB -0.058 19.001 19.000 0.100 0.000 0.814 55 A HN 0.131 nan 8.150 nan 0.000 0.446 56 K N -0.154 120.331 120.400 0.141 0.000 2.248 56 K HA 0.527 4.847 4.320 -0.001 0.000 0.281 56 K C -0.070 176.650 176.600 0.199 0.000 1.054 56 K CA 0.683 57.065 56.287 0.158 0.000 0.903 56 K CB 0.784 33.356 32.500 0.120 0.000 1.077 56 K HN 0.369 nan 8.250 nan 0.000 0.474 57 G N 0.827 109.775 108.800 0.246 0.000 2.559 57 G HA2 0.525 4.484 3.960 -0.001 0.000 0.291 57 G HA3 0.525 4.484 3.960 -0.001 0.000 0.291 57 G C -1.546 173.546 174.900 0.319 0.000 1.424 57 G CA -0.750 44.490 45.100 0.234 0.000 0.786 57 G HN 0.477 nan 8.290 nan 0.000 0.485 58 S N -1.570 114.245 115.700 0.192 0.000 2.540 58 S HA 0.875 5.344 4.470 -0.001 0.000 0.275 58 S C -0.065 174.508 174.600 -0.045 0.000 1.123 58 S CA -0.180 58.171 58.200 0.252 0.000 0.907 58 S CB 1.968 65.420 63.200 0.420 0.000 1.081 58 S HN 1.429 nan 8.310 nan 0.000 0.476 59 G N 0.356 109.123 108.800 -0.055 0.000 2.619 59 G HA2 0.879 4.839 3.960 -0.001 0.000 0.296 59 G HA3 0.879 4.839 3.960 -0.001 0.000 0.296 59 G C -1.432 173.285 174.900 -0.304 0.000 1.334 59 G CA -0.608 44.246 45.100 -0.410 0.000 0.934 59 G HN 1.046 nan 8.290 nan 0.000 0.476 60 A N -0.333 122.100 122.820 -0.646 0.000 2.608 60 A HA 0.736 5.056 4.320 -0.001 0.000 0.292 60 A C -1.915 175.412 177.584 -0.429 0.000 1.066 60 A CA -0.748 51.120 52.037 -0.283 0.000 0.676 60 A CB 0.753 19.727 19.000 -0.045 0.000 1.277 60 A HN 0.672 nan 8.150 nan 0.000 0.413 61 Y N 0.115 120.438 120.300 0.038 0.000 2.376 61 Y HA 0.649 5.198 4.550 -0.001 0.000 0.325 61 Y C 1.195 177.097 175.900 0.003 0.000 1.199 61 Y CA 1.038 59.185 58.100 0.078 0.000 1.206 61 Y CB 2.077 40.621 38.460 0.141 0.000 1.229 61 Y HN 1.095 nan 8.280 nan 0.000 0.480 62 G N -0.264 108.643 108.800 0.178 0.000 2.753 62 G HA2 0.601 4.560 3.960 -0.001 0.000 0.303 62 G HA3 0.601 4.560 3.960 -0.001 0.000 0.303 62 G C -1.537 173.471 174.900 0.180 0.000 1.242 62 G CA -0.884 44.303 45.100 0.145 0.000 0.810 62 G HN 0.393 nan 8.290 nan 0.000 0.515 63 T N 0.321 115.017 114.554 0.236 0.000 2.991 63 T HA 0.478 4.827 4.350 -0.001 0.000 0.303 63 T C -1.691 173.258 174.700 0.415 0.000 1.015 63 T CA -0.236 62.029 62.100 0.274 0.000 1.007 63 T CB 1.748 70.725 68.868 0.182 0.000 1.034 63 T HN 0.543 nan 8.240 nan 0.000 0.446 64 F N 2.799 122.955 119.950 0.343 0.000 2.408 64 F HA 0.635 5.162 4.527 -0.001 0.000 0.344 64 F C -0.161 175.831 175.800 0.320 0.000 1.112 64 F CA -0.159 58.104 58.000 0.439 0.000 1.096 64 F CB 1.139 40.474 39.000 0.559 0.000 1.129 64 F HN 0.436 nan 8.300 nan 0.000 0.486 65 T N 5.905 120.127 114.554 -0.553 0.000 2.812 65 T HA 0.400 4.750 4.350 -0.001 0.000 0.282 65 T C -0.752 173.529 174.700 -0.700 0.000 0.990 65 T CA -0.603 61.244 62.100 -0.421 0.000 0.960 65 T CB 1.403 70.185 68.868 -0.144 0.000 0.948 65 T HN 0.388 nan 8.240 nan 0.000 0.438 66 V N 4.098 123.821 119.914 -0.318 0.000 2.572 66 V HA 0.188 4.307 4.120 -0.001 0.000 0.291 66 V C 1.663 177.710 176.094 -0.079 0.000 1.039 66 V CA 0.324 62.590 62.300 -0.057 0.000 1.055 66 V CB 0.640 32.573 31.823 0.183 0.000 0.969 66 V HN 1.180 nan 8.190 nan 0.000 0.482 67 T N 0.593 115.107 114.554 -0.067 0.000 2.978 67 T HA 0.240 4.589 4.350 -0.001 0.000 0.248 67 T C 0.423 174.801 174.700 -0.537 0.000 1.018 67 T CA 0.154 62.104 62.100 -0.251 0.000 1.026 67 T CB 0.112 68.860 68.868 -0.201 0.000 1.032 67 T HN 0.692 nan 8.240 nan 0.000 0.485 68 H N 0.079 119.172 119.070 0.038 0.000 2.928 68 H HA 0.646 5.202 4.556 -0.001 0.000 0.371 68 H C -1.668 173.680 175.328 0.034 0.000 1.186 68 H CA -0.954 55.112 56.048 0.030 0.000 1.134 68 H CB 1.508 31.283 29.762 0.021 0.000 1.824 68 H HN 0.001 nan 8.280 nan 0.000 0.554 69 D N 1.838 122.330 120.400 0.153 0.000 2.359 69 D HA 0.141 4.781 4.640 -0.001 0.000 0.230 69 D C 0.310 176.656 176.300 0.076 0.000 1.118 69 D CA -0.376 53.674 54.000 0.083 0.000 0.844 69 D CB 0.512 41.344 40.800 0.053 0.000 1.059 69 D HN 0.614 nan 8.370 nan 0.000 0.493 70 I N 0.822 121.417 120.570 0.043 0.000 3.936 70 I HA 0.171 4.341 4.170 -0.001 0.000 0.330 70 I C 1.395 177.504 176.117 -0.014 0.000 1.509 70 I CA -0.422 60.927 61.300 0.082 0.000 1.126 70 I CB 0.247 38.259 38.000 0.020 0.000 1.115 70 I HN 0.169 nan 8.210 nan 0.000 0.424 71 T N -2.067 112.455 114.554 -0.053 0.000 3.051 71 T HA -0.132 4.217 4.350 -0.001 0.000 0.269 71 T C 1.652 176.247 174.700 -0.175 0.000 1.127 71 T CA 1.206 63.252 62.100 -0.090 0.000 1.107 71 T CB -0.249 68.592 68.868 -0.046 0.000 0.898 71 T HN 0.559 nan 8.240 nan 0.000 0.517 72 K N -0.049 120.163 120.400 -0.313 0.000 2.209 72 K HA -0.110 4.209 4.320 -0.001 0.000 0.204 72 K C 1.161 177.388 176.600 -0.623 0.000 1.048 72 K CA 1.234 57.199 56.287 -0.537 0.000 0.940 72 K CB -0.132 31.862 32.500 -0.844 0.000 0.729 72 K HN 0.575 nan 8.250 nan 0.000 0.451 73 Y N -0.871 119.284 120.300 -0.241 0.000 2.535 73 Y HA 0.182 4.732 4.550 -0.001 0.000 0.266 73 Y C 0.844 176.624 175.900 -0.199 0.000 1.088 73 Y CA 0.061 57.954 58.100 -0.345 0.000 1.285 73 Y CB 0.843 39.043 38.460 -0.433 0.000 1.166 73 Y HN -0.128 nan 8.280 nan 0.000 0.525 74 T N 0.468 114.893 114.554 -0.216 0.000 2.933 74 T HA 0.282 4.631 4.350 -0.001 0.000 0.305 74 T C 0.045 174.647 174.700 -0.164 0.000 1.092 74 T CA -0.871 61.045 62.100 -0.307 0.000 1.008 74 T CB 1.240 69.551 68.868 -0.929 0.000 1.102 74 T HN 0.313 nan 8.240 nan 0.000 0.469 75 K N 2.569 122.909 120.400 -0.099 0.000 2.417 75 K HA 0.554 4.873 4.320 -0.001 0.000 0.196 75 K C 0.715 177.279 176.600 -0.061 0.000 1.023 75 K CA -0.360 55.892 56.287 -0.059 0.000 1.122 75 K CB 0.261 32.742 32.500 -0.031 0.000 0.850 75 K HN 0.490 nan 8.250 nan 0.000 0.521 76 A N 2.306 125.056 122.820 -0.117 0.000 2.548 76 A HA 0.032 4.351 4.320 -0.001 0.000 0.247 76 A C 0.821 178.304 177.584 -0.168 0.000 1.067 76 A CA -0.317 51.603 52.037 -0.195 0.000 0.757 76 A CB 0.367 19.137 19.000 -0.383 0.000 0.996 76 A HN 0.180 nan 8.150 nan 0.000 0.504 77 K N 2.549 122.869 120.400 -0.134 0.000 2.103 77 K HA -0.176 4.143 4.320 -0.001 0.000 0.207 77 K C 1.665 178.206 176.600 -0.100 0.000 1.048 77 K CA 1.591 57.834 56.287 -0.074 0.000 0.930 77 K CB -0.517 31.962 32.500 -0.035 0.000 0.716 77 K HN 0.871 nan 8.250 nan 0.000 0.444 78 I N 0.159 120.573 120.570 -0.260 0.000 2.399 78 I HA -0.255 3.914 4.170 -0.001 0.000 0.254 78 I C 0.718 176.753 176.117 -0.137 0.000 1.146 78 I CA 1.335 62.457 61.300 -0.297 0.000 1.412 78 I CB 0.087 37.722 38.000 -0.609 0.000 1.076 78 I HN -0.064 nan 8.210 nan 0.000 0.432 79 F N 0.043 120.011 119.950 0.030 0.000 2.653 79 F HA 0.163 4.689 4.527 -0.001 0.000 0.304 79 F C 2.448 178.267 175.800 0.031 0.000 1.092 79 F CA 0.280 58.318 58.000 0.063 0.000 1.279 79 F CB -0.795 38.185 39.000 -0.033 0.000 1.044 79 F HN 0.102 nan 8.300 nan 0.000 0.564 80 S N -1.541 114.249 115.700 0.150 0.000 2.428 80 S HA -0.010 4.460 4.470 -0.001 0.000 0.230 80 S C 0.320 174.964 174.600 0.074 0.000 1.014 80 S CA 0.657 58.907 58.200 0.082 0.000 0.957 80 S CB -0.050 63.174 63.200 0.040 0.000 0.784 80 S HN 0.184 nan 8.310 nan 0.000 0.499 81 D N 0.371 120.825 120.400 0.090 0.000 2.934 81 D HA 0.392 5.031 4.640 -0.001 0.000 0.230 81 D C -0.838 175.503 176.300 0.068 0.000 1.204 81 D CA -0.536 53.502 54.000 0.063 0.000 0.873 81 D CB 1.942 42.770 40.800 0.046 0.000 1.645 81 D HN 0.170 nan 8.370 nan 0.000 0.502 82 I N 1.168 121.760 120.570 0.037 0.000 2.775 82 I HA 0.064 4.234 4.170 -0.001 0.000 0.290 82 I C 1.685 177.803 176.117 0.002 0.000 1.203 82 I CA 1.182 62.485 61.300 0.006 0.000 1.433 82 I CB 0.313 38.294 38.000 -0.033 0.000 1.354 82 I HN 0.842 nan 8.210 nan 0.000 0.579 83 G N 4.537 113.330 108.800 -0.012 0.000 2.225 83 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.254 83 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.254 83 G C 0.538 175.451 174.900 0.022 0.000 0.988 83 G CA 0.142 45.238 45.100 -0.006 0.000 0.625 83 G HN 0.643 nan 8.290 nan 0.000 0.527 84 K N 1.413 121.843 120.400 0.051 0.000 2.472 84 K HA 0.314 4.634 4.320 -0.001 0.000 0.280 84 K C 0.178 176.842 176.600 0.108 0.000 1.028 84 K CA 0.341 56.678 56.287 0.083 0.000 1.045 84 K CB 0.130 32.694 32.500 0.107 0.000 0.902 84 K HN 0.303 nan 8.250 nan 0.000 0.478 85 K N 2.668 123.136 120.400 0.113 0.000 2.182 85 K HA 0.268 4.587 4.320 -0.001 0.000 0.262 85 K C -0.988 175.735 176.600 0.205 0.000 0.957 85 K CA -0.685 55.691 56.287 0.147 0.000 0.842 85 K CB 2.073 34.639 32.500 0.109 0.000 1.099 85 K HN 0.487 nan 8.250 nan 0.000 0.438 86 T N 1.837 116.575 114.554 0.308 0.000 2.881 86 T HA 0.179 4.529 4.350 -0.001 0.000 0.291 86 T C -0.880 174.034 174.700 0.357 0.000 0.990 86 T CA -0.891 61.410 62.100 0.335 0.000 0.976 86 T CB 1.164 70.267 68.868 0.392 0.000 0.970 86 T HN 0.398 nan 8.240 nan 0.000 0.438 87 D N 3.450 124.032 120.400 0.303 0.000 2.362 87 D HA 0.507 5.147 4.640 -0.001 0.000 0.242 87 D C 0.381 176.930 176.300 0.415 0.000 1.132 87 D CA 0.035 54.230 54.000 0.325 0.000 0.907 87 D CB 0.792 41.740 40.800 0.247 0.000 1.195 87 D HN 0.610 nan 8.370 nan 0.000 0.429 88 M N -0.410 119.391 119.600 0.335 0.000 2.773 88 M HA 0.602 5.081 4.480 -0.001 0.000 0.270 88 M C -1.928 174.420 176.300 0.079 0.000 1.238 88 M CA -1.048 54.237 55.300 -0.026 0.000 0.832 88 M CB 2.584 34.962 32.600 -0.369 0.000 1.672 88 M HN 0.214 nan 8.290 nan 0.000 0.480 89 F N 1.106 120.787 119.950 -0.447 0.000 2.569 89 F HA 0.905 5.432 4.527 -0.001 0.000 0.312 89 F C -1.803 173.636 175.800 -0.601 0.000 1.109 89 F CA -0.299 57.409 58.000 -0.486 0.000 0.919 89 F CB 2.082 40.796 39.000 -0.476 0.000 1.211 89 F HN 0.988 nan 8.300 nan 0.000 0.446 90 A N 5.887 127.809 122.820 -1.495 0.000 2.386 90 A HA 0.831 5.151 4.320 -0.001 0.000 0.311 90 A C -1.366 175.215 177.584 -1.671 0.000 1.068 90 A CA -0.866 50.277 52.037 -1.491 0.000 0.743 90 A CB 1.559 19.645 19.000 -1.523 0.000 1.258 90 A HN 0.871 nan 8.150 nan 0.000 0.429 91 R N 1.910 121.610 120.500 -1.333 0.000 2.480 91 R HA 0.650 4.989 4.340 -0.001 0.000 0.306 91 R C -1.818 173.814 176.300 -1.114 0.000 0.958 91 R CA -0.383 55.127 56.100 -0.984 0.000 0.861 91 R CB 0.897 30.981 30.300 -0.360 0.000 1.171 91 R HN 0.628 nan 8.270 nan 0.000 0.445 92 F N 1.818 121.345 119.950 -0.705 0.000 2.458 92 F HA 0.538 5.064 4.527 -0.001 0.000 0.330 92 F C 0.407 175.829 175.800 -0.630 0.000 1.082 92 F CA -0.490 56.995 58.000 -0.858 0.000 0.995 92 F CB 2.237 40.344 39.000 -1.488 0.000 1.170 92 F HN 0.574 nan 8.300 nan 0.000 0.478 93 S N -0.905 114.722 115.700 -0.121 0.000 2.588 93 S HA 0.604 5.073 4.470 -0.001 0.000 0.269 93 S C -0.592 174.158 174.600 0.250 0.000 1.157 93 S CA -0.935 57.348 58.200 0.139 0.000 0.824 93 S CB 1.309 64.629 63.200 0.200 0.000 1.126 93 S HN 0.727 nan 8.310 nan 0.000 0.464 94 T N -1.018 113.658 114.554 0.204 0.000 2.865 94 T HA 0.653 5.003 4.350 -0.001 0.000 0.302 94 T C 0.908 175.559 174.700 -0.081 0.000 1.078 94 T CA -0.022 62.137 62.100 0.099 0.000 0.942 94 T CB 0.149 69.057 68.868 0.067 0.000 1.387 94 T HN 0.662 nan 8.240 nan 0.000 0.557 95 V N -0.312 119.516 119.914 -0.143 0.000 2.950 95 V HA 0.339 4.458 4.120 -0.001 0.000 0.231 95 V C 2.785 178.813 176.094 -0.110 0.000 1.205 95 V CA 0.673 62.775 62.300 -0.330 0.000 1.239 95 V CB -0.940 30.758 31.823 -0.208 0.000 1.050 95 V HN 1.001 nan 8.190 nan 0.000 0.498 96 A N 0.658 123.454 122.820 -0.039 0.000 1.975 96 A HA 0.306 4.626 4.320 -0.001 0.000 0.215 96 A C 1.603 179.183 177.584 -0.008 0.000 1.170 96 A CA 1.014 53.036 52.037 -0.024 0.000 0.656 96 A CB -0.921 18.060 19.000 -0.033 0.000 0.821 96 A HN 0.574 nan 8.150 nan 0.000 0.449 97 G N 0.440 109.242 108.800 0.004 0.000 2.432 97 G HA2 0.390 4.349 3.960 -0.001 0.000 0.239 97 G HA3 0.390 4.349 3.960 -0.001 0.000 0.239 97 G C -0.194 174.725 174.900 0.032 0.000 1.291 97 G CA -0.216 44.894 45.100 0.017 0.000 0.863 97 G HN 0.451 nan 8.290 nan 0.000 0.560 98 E N 0.621 120.838 120.200 0.030 0.000 2.620 98 E HA 0.256 4.606 4.350 -0.001 0.000 0.255 98 E C 1.811 178.444 176.600 0.055 0.000 1.346 98 E CA -0.549 55.876 56.400 0.041 0.000 1.013 98 E CB 0.525 30.243 29.700 0.029 0.000 1.131 98 E HN 0.504 nan 8.360 nan 0.000 0.608 99 R N -0.124 120.413 120.500 0.063 0.000 2.227 99 R HA -0.244 4.095 4.340 -0.001 0.000 0.259 99 R C 1.390 177.726 176.300 0.059 0.000 1.139 99 R CA 2.019 58.162 56.100 0.072 0.000 0.969 99 R CB -0.506 29.839 30.300 0.074 0.000 0.903 99 R HN 0.627 nan 8.270 nan 0.000 0.452 100 G N -1.620 107.204 108.800 0.041 0.000 3.651 100 G HA2 0.441 4.400 3.960 -0.001 0.000 0.279 100 G HA3 0.441 4.400 3.960 -0.001 0.000 0.279 100 G C -0.215 174.701 174.900 0.028 0.000 1.024 100 G CA 0.174 45.292 45.100 0.030 0.000 0.813 100 G HN 0.420 nan 8.290 nan 0.000 0.518 101 A N 0.491 123.330 122.820 0.031 0.000 2.406 101 A HA 0.670 4.989 4.320 -0.001 0.000 0.243 101 A C 1.046 178.642 177.584 0.021 0.000 1.082 101 A CA 0.349 52.400 52.037 0.023 0.000 0.786 101 A CB 0.201 19.215 19.000 0.023 0.000 1.029 101 A HN 1.145 nan 8.150 nan 0.000 0.495 102 A N 0.899 123.726 122.820 0.011 0.000 2.511 102 A HA 0.285 4.604 4.320 -0.001 0.000 0.242 102 A C 0.746 178.316 177.584 -0.024 0.000 1.069 102 A CA 0.141 52.178 52.037 0.001 0.000 0.763 102 A CB -0.075 18.925 19.000 -0.000 0.000 1.001 102 A HN 0.811 nan 8.150 nan 0.000 0.498 103 D N 2.184 122.556 120.400 -0.047 0.000 2.144 103 D HA -0.070 4.570 4.640 -0.001 0.000 0.199 103 D C 1.421 177.502 176.300 -0.365 0.000 0.984 103 D CA 2.022 55.919 54.000 -0.171 0.000 0.834 103 D CB -0.071 40.637 40.800 -0.154 0.000 0.955 103 D HN 0.647 nan 8.370 nan 0.000 0.465 104 A N 1.142 123.835 122.820 -0.211 0.000 3.105 104 A HA 0.142 4.462 4.320 -0.001 0.000 0.272 104 A C 0.279 177.830 177.584 -0.054 0.000 1.466 104 A CA -0.173 51.774 52.037 -0.149 0.000 1.101 104 A CB -0.308 18.709 19.000 0.029 0.000 1.065 104 A HN 0.012 nan 8.150 nan 0.000 0.643 105 E N 0.084 120.249 120.200 -0.058 0.000 2.250 105 E HA 0.269 4.618 4.350 -0.001 0.000 0.265 105 E C -0.047 176.572 176.600 0.032 0.000 1.033 105 E CA -0.912 55.490 56.400 0.002 0.000 0.888 105 E CB 1.292 30.997 29.700 0.009 0.000 1.151 105 E HN 0.475 nan 8.360 nan 0.000 0.412 106 R N 1.912 122.451 120.500 0.065 0.000 2.351 106 R HA 0.052 4.392 4.340 -0.001 0.000 0.318 106 R C -1.078 175.292 176.300 0.117 0.000 1.055 106 R CA 0.576 56.736 56.100 0.101 0.000 0.968 106 R CB 0.147 30.523 30.300 0.127 0.000 0.974 106 R HN 0.383 nan 8.270 nan 0.000 0.439 107 D N 3.264 123.740 120.400 0.127 0.000 2.766 107 D HA 0.145 4.785 4.640 -0.001 0.000 0.244 107 D C -0.567 175.826 176.300 0.154 0.000 1.198 107 D CA -0.572 53.514 54.000 0.144 0.000 0.739 107 D CB 1.075 41.933 40.800 0.097 0.000 1.379 107 D HN 0.395 nan 8.370 nan 0.000 0.437 108 I N 1.827 122.505 120.570 0.180 0.000 2.872 108 I HA 0.008 4.177 4.170 -0.001 0.000 0.291 108 I C 0.703 176.937 176.117 0.195 0.000 1.216 108 I CA 0.238 61.650 61.300 0.186 0.000 1.424 108 I CB 0.287 38.429 38.000 0.236 0.000 1.351 108 I HN 0.033 nan 8.210 nan 0.000 0.592 109 R N 4.464 125.111 120.500 0.246 0.000 2.393 109 R HA 0.399 4.739 4.340 -0.001 0.000 0.310 109 R C -0.060 176.447 176.300 0.344 0.000 0.968 109 R CA -0.782 55.495 56.100 0.295 0.000 0.867 109 R CB 1.284 31.797 30.300 0.356 0.000 1.124 109 R HN 0.770 nan 8.270 nan 0.000 0.450 110 G N 1.215 110.243 108.800 0.381 0.000 2.483 110 G HA2 0.277 4.237 3.960 -0.001 0.000 0.248 110 G HA3 0.277 4.237 3.960 -0.001 0.000 0.248 110 G C -0.976 174.028 174.900 0.174 0.000 1.248 110 G CA -0.085 45.206 45.100 0.319 0.000 0.838 110 G HN 0.458 nan 8.290 nan 0.000 0.566 111 F N 1.941 121.823 119.950 -0.114 0.000 2.809 111 F HA 0.475 5.002 4.527 -0.001 0.000 0.369 111 F C 0.057 175.534 175.800 -0.538 0.000 1.225 111 F CA -0.859 57.022 58.000 -0.198 0.000 1.201 111 F CB 1.378 40.335 39.000 -0.073 0.000 1.527 111 F HN 0.399 nan 8.300 nan 0.000 0.565 112 S N 5.490 120.708 115.700 -0.804 0.000 2.456 112 S HA 0.788 5.257 4.470 -0.001 0.000 0.316 112 S C -0.871 172.909 174.600 -1.366 0.000 1.089 112 S CA -0.451 57.061 58.200 -1.146 0.000 1.101 112 S CB 0.589 62.827 63.200 -1.605 0.000 0.995 112 S HN 0.508 nan 8.310 nan 0.000 0.468 113 L N 4.544 125.148 121.223 -1.032 0.000 2.362 113 L HA 0.610 4.949 4.340 -0.001 0.000 0.275 113 L C -0.243 176.204 176.870 -0.705 0.000 0.998 113 L CA -0.742 53.487 54.840 -1.018 0.000 0.820 113 L CB 1.919 43.214 42.059 -1.274 0.000 1.270 113 L HN 0.475 nan 8.230 nan 0.000 0.415 114 K N 3.291 123.309 120.400 -0.636 0.000 2.394 114 K HA 0.520 4.839 4.320 -0.001 0.000 0.260 114 K C -1.624 174.431 176.600 -0.908 0.000 0.967 114 K CA -0.439 55.491 56.287 -0.596 0.000 0.855 114 K CB 0.951 33.156 32.500 -0.492 0.000 1.101 114 K HN 0.308 nan 8.250 nan 0.000 0.433 115 F N 3.945 123.592 119.950 -0.505 0.000 2.404 115 F HA 0.279 4.805 4.527 -0.001 0.000 0.354 115 F C -0.377 175.264 175.800 -0.264 0.000 1.122 115 F CA -0.763 57.031 58.000 -0.344 0.000 1.080 115 F CB 0.783 39.671 39.000 -0.187 0.000 1.131 115 F HN 0.426 nan 8.300 nan 0.000 0.471 116 Y N 1.763 122.148 120.300 0.142 0.000 2.570 116 Y HA 0.189 4.738 4.550 -0.001 0.000 0.336 116 Y C 1.128 177.088 175.900 0.101 0.000 1.284 116 Y CA -0.885 57.271 58.100 0.092 0.000 1.761 116 Y CB -0.742 37.753 38.460 0.058 0.000 1.724 116 Y HN 0.544 nan 8.280 nan 0.000 0.455 117 T N -2.463 112.206 114.554 0.192 0.000 2.847 117 T HA 0.109 4.459 4.350 -0.001 0.000 0.279 117 T C 1.161 175.911 174.700 0.083 0.000 0.984 117 T CA -0.548 61.621 62.100 0.115 0.000 0.988 117 T CB 1.135 70.023 68.868 0.034 0.000 1.040 117 T HN 0.718 nan 8.240 nan 0.000 0.528 118 E N -0.358 119.870 120.200 0.048 0.000 2.482 118 E HA -0.015 4.334 4.350 -0.001 0.000 0.196 118 E C 0.803 177.407 176.600 0.006 0.000 1.047 118 E CA 0.578 56.998 56.400 0.035 0.000 0.869 118 E CB -0.032 29.688 29.700 0.034 0.000 0.836 118 E HN 0.826 nan 8.360 nan 0.000 0.520 119 E N 0.660 120.848 120.200 -0.020 0.000 2.869 119 E HA 0.310 4.660 4.350 -0.001 0.000 0.207 119 E C -0.281 176.273 176.600 -0.076 0.000 0.986 119 E CA -0.081 56.272 56.400 -0.078 0.000 1.131 119 E CB 1.275 30.908 29.700 -0.112 0.000 1.098 119 E HN 0.363 nan 8.360 nan 0.000 0.459 120 G N 1.208 110.001 108.800 -0.011 0.000 2.484 120 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.685 120 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.685 120 G C -1.107 173.834 174.900 0.068 0.000 1.294 120 G CA -1.160 43.951 45.100 0.019 0.000 0.879 120 G HN 0.209 nan 8.290 nan 0.000 0.646 121 N N 0.048 118.794 118.700 0.075 0.000 2.452 121 N HA 0.301 5.041 4.740 -0.001 0.000 0.266 121 N C -0.467 175.114 175.510 0.119 0.000 1.175 121 N CA -0.166 52.919 53.050 0.057 0.000 0.945 121 N CB 0.817 39.295 38.487 -0.015 0.000 1.063 121 N HN 0.560 nan 8.380 nan 0.000 0.472 122 W N 4.566 125.831 121.300 -0.060 0.000 2.342 122 W HA 0.240 4.900 4.660 -0.001 0.000 0.310 122 W C -0.980 175.529 176.519 -0.016 0.000 1.128 122 W CA -1.017 56.297 57.345 -0.053 0.000 1.322 122 W CB 0.123 29.515 29.460 -0.113 0.000 1.251 122 W HN 0.407 nan 8.180 nan 0.000 0.439 123 D N 5.840 126.215 120.400 -0.042 0.000 2.232 123 D HA 0.224 4.863 4.640 -0.001 0.000 0.242 123 D C -1.011 175.057 176.300 -0.386 0.000 1.093 123 D CA -0.272 53.607 54.000 -0.202 0.000 0.845 123 D CB 1.822 42.599 40.800 -0.039 0.000 1.124 123 D HN 0.368 nan 8.370 nan 0.000 0.467 124 L N 2.432 123.309 121.223 -0.577 0.000 2.417 124 L HA 0.460 4.800 4.340 -0.001 0.000 0.259 124 L C -0.528 176.089 176.870 -0.422 0.000 1.023 124 L CA -0.669 53.846 54.840 -0.541 0.000 0.901 124 L CB 1.156 42.722 42.059 -0.821 0.000 1.227 124 L HN 0.359 nan 8.230 nan 0.000 0.454 125 A N 3.906 126.539 122.820 -0.312 0.000 2.922 125 A HA 0.657 4.977 4.320 -0.001 0.000 0.298 125 A C 0.697 178.166 177.584 -0.191 0.000 1.588 125 A CA 0.238 52.061 52.037 -0.357 0.000 1.288 125 A CB -0.863 17.926 19.000 -0.352 0.000 1.130 125 A HN 0.743 nan 8.150 nan 0.000 0.557 126 G N 0.933 109.645 108.800 -0.147 0.000 2.537 126 G HA2 0.498 4.457 3.960 -0.001 0.000 0.297 126 G HA3 0.498 4.457 3.960 -0.001 0.000 0.297 126 G C -0.261 174.679 174.900 0.067 0.000 1.310 126 G CA -0.558 44.549 45.100 0.011 0.000 1.027 126 G HN 0.565 nan 8.290 nan 0.000 0.505 127 N N -0.891 117.898 118.700 0.147 0.000 2.577 127 N HA 0.190 4.930 4.740 -0.001 0.000 0.285 127 N C 0.395 176.084 175.510 0.299 0.000 1.309 127 N CA -0.742 52.450 53.050 0.238 0.000 0.798 127 N CB 1.411 40.030 38.487 0.220 0.000 1.463 127 N HN 0.532 nan 8.380 nan 0.000 0.518 128 N N -0.994 117.913 118.700 0.345 0.000 2.421 128 N HA -0.028 4.711 4.740 -0.001 0.000 0.201 128 N C -0.456 175.333 175.510 0.465 0.000 1.198 128 N CA 0.123 53.412 53.050 0.398 0.000 0.838 128 N CB -0.014 38.696 38.487 0.373 0.000 1.011 128 N HN 0.394 nan 8.380 nan 0.000 0.463 129 T N -0.080 114.666 114.554 0.320 0.000 2.912 129 T HA 0.360 4.709 4.350 -0.001 0.000 0.299 129 T C -2.439 171.953 174.700 -0.512 0.000 1.052 129 T CA -1.717 60.304 62.100 -0.132 0.000 0.996 129 T CB 2.198 70.986 68.868 -0.134 0.000 1.070 129 T HN -0.178 nan 8.240 nan 0.000 0.465 130 P HA 0.099 nan 4.420 nan 0.000 0.233 130 P C 0.544 177.546 177.300 -0.497 0.000 1.167 130 P CA 0.473 63.008 63.100 -0.943 0.000 0.770 130 P CB -0.064 31.034 31.700 -1.003 0.000 0.837 131 V N -4.889 114.757 119.914 -0.447 0.000 3.119 131 V HA 0.786 4.905 4.120 -0.001 0.000 0.311 131 V C -0.935 175.050 176.094 -0.182 0.000 1.259 131 V CA -1.177 60.914 62.300 -0.347 0.000 1.067 131 V CB 2.095 33.605 31.823 -0.523 0.000 1.123 131 V HN -0.094 nan 8.190 nan 0.000 0.463 132 F N -1.475 118.267 119.950 -0.347 0.000 2.745 132 F HA 0.651 5.178 4.527 -0.001 0.000 0.316 132 F C 0.310 175.943 175.800 -0.279 0.000 1.155 132 F CA -1.300 56.501 58.000 -0.332 0.000 0.937 132 F CB 1.630 40.553 39.000 -0.127 0.000 1.361 132 F HN 0.460 nan 8.300 nan 0.000 0.472 133 F N 1.427 120.939 119.950 -0.731 0.000 2.234 133 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 133 F C 0.459 176.169 175.800 -0.149 0.000 1.087 133 F CA 0.863 58.582 58.000 -0.469 0.000 1.340 133 F CB -0.205 38.464 39.000 -0.551 0.000 1.031 133 F HN -0.066 nan 8.300 nan 0.000 0.500 134 L N -0.724 120.647 121.223 0.246 0.000 2.333 134 L HA 0.459 4.799 4.340 -0.001 0.000 0.269 134 L C 0.899 177.873 176.870 0.173 0.000 1.010 134 L CA -0.833 54.158 54.840 0.252 0.000 0.818 134 L CB 2.079 44.393 42.059 0.425 0.000 1.306 134 L HN -0.205 nan 8.230 nan 0.000 0.430 135 R N -0.436 120.064 120.500 0.000 0.000 2.237 135 R HA 0.130 4.469 4.340 -0.001 0.000 0.195 135 R C -0.254 176.023 176.300 -0.038 0.000 0.956 135 R CA 0.302 56.338 56.100 -0.106 0.000 1.029 135 R CB 0.452 30.478 30.300 -0.456 0.000 0.972 135 R HN 0.587 nan 8.270 nan 0.000 0.493 136 D N -0.001 120.421 120.400 0.038 0.000 2.787 136 D HA 0.146 4.785 4.640 -0.001 0.000 0.246 136 D C -2.052 174.368 176.300 0.200 0.000 1.150 136 D CA -2.082 51.995 54.000 0.128 0.000 0.864 136 D CB 2.614 43.525 40.800 0.184 0.000 1.481 136 D HN -0.187 nan 8.370 nan 0.000 0.509 137 P HA -0.032 nan 4.420 nan 0.000 0.226 137 P C 1.812 179.249 177.300 0.228 0.000 1.153 137 P CA 0.280 63.503 63.100 0.204 0.000 0.777 137 P CB 0.634 32.408 31.700 0.124 0.000 0.794 138 L N -0.404 120.938 121.223 0.198 0.000 2.187 138 L HA -0.129 4.211 4.340 -0.001 0.000 0.213 138 L C 2.282 179.273 176.870 0.202 0.000 1.100 138 L CA 1.307 56.255 54.840 0.181 0.000 0.765 138 L CB -0.592 41.562 42.059 0.159 0.000 0.904 138 L HN -0.081 nan 8.230 nan 0.000 0.437 139 K N -0.857 119.698 120.400 0.257 0.000 2.459 139 K HA -0.059 4.260 4.320 -0.001 0.000 0.193 139 K C 1.762 178.532 176.600 0.284 0.000 1.030 139 K CA 0.555 57.023 56.287 0.300 0.000 1.026 139 K CB -0.191 32.529 32.500 0.365 0.000 0.809 139 K HN 0.184 nan 8.250 nan 0.000 0.504 140 F N 2.747 122.792 119.950 0.160 0.000 2.102 140 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 140 F C -0.926 174.857 175.800 -0.028 0.000 1.105 140 F CA 1.106 59.186 58.000 0.134 0.000 1.239 140 F CB -0.756 38.331 39.000 0.145 0.000 0.991 140 F HN 0.033 nan 8.300 nan 0.000 0.474 141 P HA -0.136 nan 4.420 nan 0.000 0.220 141 P C 1.024 177.927 177.300 -0.662 0.000 1.148 141 P CA 1.709 64.610 63.100 -0.330 0.000 0.803 141 P CB -0.087 31.479 31.700 -0.224 0.000 0.782 142 D N -0.695 119.454 120.400 -0.418 0.000 2.117 142 D HA -0.118 4.522 4.640 -0.001 0.000 0.198 142 D C 1.935 177.638 176.300 -0.995 0.000 0.982 142 D CA 0.906 54.575 54.000 -0.550 0.000 0.828 142 D CB -0.509 40.167 40.800 -0.207 0.000 0.967 142 D HN 0.095 nan 8.370 nan 0.000 0.464 143 L N 1.967 122.681 121.223 -0.848 0.000 1.989 143 L HA -0.184 4.155 4.340 -0.001 0.000 0.211 143 L C 1.903 178.388 176.870 -0.641 0.000 1.071 143 L CA 1.644 56.004 54.840 -0.799 0.000 0.749 143 L CB -0.833 41.036 42.059 -0.317 0.000 0.890 143 L HN -0.054 nan 8.230 nan 0.000 0.431 144 N N -0.326 118.015 118.700 -0.599 0.000 2.037 144 N HA -0.313 4.426 4.740 -0.001 0.000 0.196 144 N C 1.908 177.292 175.510 -0.210 0.000 1.034 144 N CA 2.558 55.389 53.050 -0.366 0.000 0.861 144 N CB -0.395 37.928 38.487 -0.273 0.000 1.039 144 N HN 0.710 nan 8.380 nan 0.000 0.427 145 H N -0.633 118.236 119.070 -0.335 0.000 2.491 145 H HA 0.070 4.626 4.556 -0.001 0.000 0.290 145 H C 1.898 177.024 175.328 -0.336 0.000 1.050 145 H CA 0.665 56.545 56.048 -0.280 0.000 1.309 145 H CB 0.163 29.788 29.762 -0.227 0.000 1.392 145 H HN 0.408 nan 8.280 nan 0.000 0.554 146 A N 0.918 123.502 122.820 -0.393 0.000 1.975 146 A HA -0.049 4.270 4.320 -0.001 0.000 0.215 146 A C 2.367 179.692 177.584 -0.433 0.000 1.170 146 A CA 1.163 52.925 52.037 -0.458 0.000 0.656 146 A CB -0.359 18.203 19.000 -0.729 0.000 0.821 146 A HN 0.321 nan 8.150 nan 0.000 0.449 147 V N -3.262 116.402 119.914 -0.417 0.000 3.590 147 V HA 0.246 4.366 4.120 -0.001 0.000 0.265 147 V C 0.802 176.761 176.094 -0.225 0.000 1.239 147 V CA 0.571 62.648 62.300 -0.371 0.000 1.117 147 V CB -0.457 31.159 31.823 -0.345 0.000 0.818 147 V HN 0.340 nan 8.190 nan 0.000 0.451 148 K N 0.399 120.693 120.400 -0.177 0.000 2.443 148 K HA 0.544 4.863 4.320 -0.001 0.000 0.284 148 K C -0.205 176.331 176.600 -0.106 0.000 0.992 148 K CA -1.095 55.125 56.287 -0.112 0.000 1.292 148 K CB 0.550 33.006 32.500 -0.073 0.000 1.705 148 K HN 0.145 nan 8.250 nan 0.000 0.778 149 R N 1.664 122.115 120.500 -0.082 0.000 2.340 149 R HA 0.061 4.401 4.340 -0.001 0.000 0.300 149 R C -0.682 175.563 176.300 -0.091 0.000 1.069 149 R CA -0.216 55.838 56.100 -0.077 0.000 0.984 149 R CB 0.496 30.761 30.300 -0.058 0.000 1.003 149 R HN 0.509 nan 8.270 nan 0.000 0.459 150 D N 3.151 123.501 120.400 -0.084 0.000 2.443 150 D HA -0.001 4.639 4.640 -0.001 0.000 0.239 150 D C -1.396 174.854 176.300 -0.083 0.000 1.136 150 D CA -1.295 52.654 54.000 -0.084 0.000 0.879 150 D CB 1.009 41.769 40.800 -0.066 0.000 1.195 150 D HN 0.195 nan 8.370 nan 0.000 0.443 151 P HA -0.167 nan 4.420 nan 0.000 0.216 151 P C 0.976 178.237 177.300 -0.065 0.000 1.150 151 P CA 1.231 64.276 63.100 -0.092 0.000 0.843 151 P CB 0.147 31.789 31.700 -0.096 0.000 0.787 152 R N -0.818 119.650 120.500 -0.053 0.000 2.087 152 R HA -0.016 4.323 4.340 -0.001 0.000 0.213 152 R C 2.127 178.406 176.300 -0.035 0.000 1.137 152 R CA 1.703 57.779 56.100 -0.040 0.000 1.022 152 R CB -0.764 29.516 30.300 -0.034 0.000 0.920 152 R HN 0.152 nan 8.270 nan 0.000 0.451 153 T N -1.639 112.893 114.554 -0.036 0.000 3.023 153 T HA -0.053 4.297 4.350 -0.001 0.000 0.266 153 T C 0.830 175.511 174.700 -0.031 0.000 1.093 153 T CA 0.972 63.053 62.100 -0.030 0.000 1.129 153 T CB -0.337 68.513 68.868 -0.029 0.000 0.899 153 T HN 0.494 nan 8.240 nan 0.000 0.491 154 N N 0.284 118.960 118.700 -0.039 0.000 2.714 154 N HA -0.156 4.583 4.740 -0.001 0.000 0.250 154 N C -0.620 174.869 175.510 -0.035 0.000 1.117 154 N CA 0.972 53.999 53.050 -0.038 0.000 0.719 154 N CB -1.663 36.806 38.487 -0.030 0.000 1.081 154 N HN 0.715 nan 8.380 nan 0.000 0.557 155 M N -0.189 119.388 119.600 -0.038 0.000 2.644 155 M HA 0.418 4.898 4.480 -0.001 0.000 0.304 155 M C 0.316 176.588 176.300 -0.048 0.000 1.215 155 M CA -0.833 54.446 55.300 -0.035 0.000 0.871 155 M CB 1.979 34.564 32.600 -0.025 0.000 1.740 155 M HN -0.106 nan 8.290 nan 0.000 0.464 156 R N 0.788 121.258 120.500 -0.050 0.000 2.734 156 R HA 0.260 4.600 4.340 -0.001 0.000 0.266 156 R C -0.196 176.066 176.300 -0.064 0.000 1.044 156 R CA 0.038 56.096 56.100 -0.071 0.000 1.128 156 R CB 0.588 30.846 30.300 -0.071 0.000 1.010 156 R HN 0.639 nan 8.270 nan 0.000 0.461 157 S N 0.455 116.102 115.700 -0.087 0.000 2.659 157 S HA 0.376 4.846 4.470 -0.001 0.000 0.312 157 S C 0.653 175.214 174.600 -0.065 0.000 1.114 157 S CA -0.334 57.828 58.200 -0.064 0.000 1.063 157 S CB 1.731 64.891 63.200 -0.068 0.000 0.996 157 S HN 0.667 nan 8.310 nan 0.000 0.478 158 A N 5.547 128.368 122.820 0.000 0.000 1.933 158 A HA -0.029 4.291 4.320 -0.001 0.000 0.218 158 A C 2.169 179.828 177.584 0.124 0.000 1.175 158 A CA 1.291 53.385 52.037 0.095 0.000 0.628 158 A CB -0.535 18.548 19.000 0.139 0.000 0.814 158 A HN 0.779 nan 8.150 nan 0.000 0.444 159 K N 0.446 120.881 120.400 0.058 0.000 2.002 159 K HA -0.184 4.136 4.320 -0.001 0.000 0.209 159 K C 1.709 178.321 176.600 0.020 0.000 1.048 159 K CA 2.010 58.330 56.287 0.055 0.000 0.930 159 K CB -0.615 31.900 32.500 0.026 0.000 0.714 159 K HN 0.678 nan 8.250 nan 0.000 0.438 160 N N 0.793 119.468 118.700 -0.042 0.000 2.069 160 N HA -0.186 4.554 4.740 -0.001 0.000 0.191 160 N C 1.830 177.238 175.510 -0.170 0.000 1.031 160 N CA 1.096 54.093 53.050 -0.088 0.000 0.852 160 N CB -0.197 38.216 38.487 -0.123 0.000 1.018 160 N HN 0.253 nan 8.380 nan 0.000 0.423 161 N N 0.367 118.882 118.700 -0.308 0.000 2.058 161 N HA -0.145 4.595 4.740 -0.001 0.000 0.191 161 N C 1.292 176.345 175.510 -0.762 0.000 1.037 161 N CA 1.352 53.980 53.050 -0.704 0.000 0.848 161 N CB -0.228 37.721 38.487 -0.897 0.000 1.021 161 N HN 0.335 nan 8.380 nan 0.000 0.422 162 W N 0.974 122.082 121.300 -0.319 0.000 2.476 162 W HA 0.013 4.672 4.660 -0.001 0.000 0.281 162 W C 2.166 178.681 176.519 -0.006 0.000 1.230 162 W CA 0.334 57.609 57.345 -0.117 0.000 1.287 162 W CB -0.399 29.027 29.460 -0.058 0.000 1.108 162 W HN 0.138 nan 8.180 nan 0.000 0.567 163 D N 0.028 120.530 120.400 0.171 0.000 2.104 163 D HA -0.277 4.363 4.640 -0.001 0.000 0.194 163 D C 1.864 178.249 176.300 0.142 0.000 0.994 163 D CA 1.445 55.529 54.000 0.139 0.000 0.830 163 D CB -0.525 40.331 40.800 0.093 0.000 0.959 163 D HN 0.087 nan 8.370 nan 0.000 0.452 164 F N -0.210 119.702 119.950 -0.064 0.000 2.084 164 F HA -0.100 4.426 4.527 -0.001 0.000 0.296 164 F C 1.904 177.739 175.800 0.059 0.000 1.111 164 F CA 1.399 59.360 58.000 -0.064 0.000 1.224 164 F CB -0.486 38.393 39.000 -0.201 0.000 0.991 164 F HN 0.034 nan 8.300 nan 0.000 0.471 165 W N 1.002 122.218 121.300 -0.140 0.000 2.363 165 W HA -0.149 4.510 4.660 -0.000 0.000 0.296 165 W C 2.854 179.336 176.519 -0.062 0.000 1.212 165 W CA 2.332 59.532 57.345 -0.241 0.000 1.260 165 W CB -1.892 27.357 29.460 -0.352 0.000 1.131 165 W HN 0.191 nan 8.180 nan 0.000 0.530 166 T N -3.724 111.028 114.554 0.329 0.000 3.072 166 T HA -0.029 4.321 4.350 -0.001 0.000 0.266 166 T C 1.630 176.476 174.700 0.243 0.000 1.127 166 T CA 1.302 63.623 62.100 0.367 0.000 1.107 166 T CB -0.375 68.694 68.868 0.336 0.000 0.910 166 T HN -0.099 nan 8.240 nan 0.000 0.513 167 S N 0.896 116.638 115.700 0.070 0.000 2.527 167 S HA 0.343 4.812 4.470 -0.001 0.000 0.222 167 S C 0.540 175.083 174.600 -0.095 0.000 0.985 167 S CA 0.066 58.263 58.200 -0.005 0.000 0.921 167 S CB -0.192 62.978 63.200 -0.050 0.000 0.772 167 S HN 0.499 nan 8.310 nan 0.000 0.529 168 L N 2.538 123.665 121.223 -0.160 0.000 2.408 168 L HA 0.297 4.636 4.340 -0.001 0.000 0.257 168 L C -1.952 174.734 176.870 -0.307 0.000 1.053 168 L CA -1.838 52.856 54.840 -0.244 0.000 0.922 168 L CB 1.464 43.333 42.059 -0.316 0.000 1.261 168 L HN -0.079 nan 8.230 nan 0.000 0.458 169 P HA -0.228 nan 4.420 nan 0.000 0.217 169 P C 1.205 178.123 177.300 -0.638 0.000 1.148 169 P CA 1.249 63.844 63.100 -0.842 0.000 0.828 169 P CB 0.199 31.152 31.700 -1.245 0.000 0.783 170 E N 0.882 120.756 120.200 -0.544 0.000 2.209 170 E HA -0.167 4.182 4.350 -0.001 0.000 0.196 170 E C 1.790 178.350 176.600 -0.067 0.000 0.993 170 E CA 1.541 57.877 56.400 -0.106 0.000 0.819 170 E CB -1.268 28.467 29.700 0.059 0.000 0.745 170 E HN 0.190 nan 8.360 nan 0.000 0.477 171 A N 1.197 123.953 122.820 -0.105 0.000 2.216 171 A HA -0.018 4.301 4.320 -0.001 0.000 0.214 171 A C 2.134 179.690 177.584 -0.047 0.000 1.160 171 A CA 0.814 52.814 52.037 -0.062 0.000 0.725 171 A CB -0.616 18.314 19.000 -0.117 0.000 0.784 171 A HN 0.271 nan 8.150 nan 0.000 0.472 172 L N -0.779 120.448 121.223 0.006 0.000 2.046 172 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 172 L C 2.213 179.181 176.870 0.163 0.000 1.077 172 L CA 2.577 57.496 54.840 0.131 0.000 0.747 172 L CB -0.789 41.390 42.059 0.200 0.000 0.896 172 L HN 0.654 nan 8.230 nan 0.000 0.432 173 H N -1.690 117.380 119.070 -0.000 0.000 2.289 173 H HA -0.255 4.300 4.556 -0.001 0.000 0.296 173 H C 2.184 177.444 175.328 -0.114 0.000 1.091 173 H CA 1.562 57.594 56.048 -0.028 0.000 1.274 173 H CB 0.303 30.028 29.762 -0.061 0.000 1.364 173 H HN 0.366 nan 8.280 nan 0.000 0.490 174 Q N 0.347 120.046 119.800 -0.167 0.000 2.172 174 Q HA -0.070 4.270 4.340 -0.001 0.000 0.200 174 Q C 2.319 178.103 176.000 -0.361 0.000 0.964 174 Q CA 1.190 56.706 55.803 -0.479 0.000 0.855 174 Q CB -0.178 27.917 28.738 -1.072 0.000 0.918 174 Q HN 0.349 nan 8.270 nan 0.000 0.444 175 V N 0.118 119.899 119.914 -0.223 0.000 2.343 175 V HA -0.291 3.829 4.120 -0.001 0.000 0.247 175 V C 2.078 178.212 176.094 0.066 0.000 1.051 175 V CA 2.216 64.382 62.300 -0.223 0.000 1.036 175 V CB -0.978 30.659 31.823 -0.311 0.000 0.654 175 V HN 0.455 nan 8.190 nan 0.000 0.451 176 T N 0.316 114.979 114.554 0.182 0.000 2.684 176 T HA -0.172 4.178 4.350 -0.001 0.000 0.267 176 T C 1.804 176.584 174.700 0.133 0.000 1.036 176 T CA 1.952 64.204 62.100 0.254 0.000 1.148 176 T CB -0.303 68.731 68.868 0.277 0.000 0.863 176 T HN 0.364 nan 8.240 nan 0.000 0.436 177 I N 0.353 120.955 120.570 0.053 0.000 2.252 177 I HA -0.105 4.064 4.170 -0.001 0.000 0.245 177 I C 2.530 178.664 176.117 0.028 0.000 1.102 177 I CA 0.802 62.107 61.300 0.009 0.000 1.385 177 I CB -0.326 37.626 38.000 -0.080 0.000 1.064 177 I HN 0.077 nan 8.210 nan 0.000 0.414 178 V N 0.667 120.589 119.914 0.014 0.000 2.667 178 V HA -0.182 3.938 4.120 -0.001 0.000 0.252 178 V C 2.220 178.401 176.094 0.145 0.000 1.065 178 V CA 1.375 63.724 62.300 0.081 0.000 1.083 178 V CB -0.073 31.820 31.823 0.115 0.000 0.692 178 V HN 0.322 nan 8.190 nan 0.000 0.468 179 M N 0.180 119.885 119.600 0.175 0.000 2.558 179 M HA 0.109 4.589 4.480 -0.001 0.000 0.255 179 M C 1.394 177.795 176.300 0.168 0.000 1.113 179 M CA 0.694 56.133 55.300 0.232 0.000 1.097 179 M CB -0.985 31.824 32.600 0.348 0.000 1.426 179 M HN 0.607 nan 8.290 nan 0.000 0.488 180 S N 1.279 117.050 115.700 0.118 0.000 2.633 180 S HA 0.028 4.497 4.470 -0.001 0.000 0.257 180 S C 1.108 175.743 174.600 0.058 0.000 1.265 180 S CA 0.033 58.272 58.200 0.065 0.000 0.980 180 S CB 0.557 63.779 63.200 0.036 0.000 1.017 180 S HN 0.420 nan 8.310 nan 0.000 0.577 181 D N 0.114 120.531 120.400 0.028 0.000 2.263 181 D HA -0.175 4.464 4.640 -0.001 0.000 0.208 181 D C 1.451 177.778 176.300 0.044 0.000 0.971 181 D CA 1.018 55.035 54.000 0.029 0.000 0.867 181 D CB -0.438 40.364 40.800 0.004 0.000 0.929 181 D HN 0.626 nan 8.370 nan 0.000 0.492 182 R N 0.034 120.564 120.500 0.049 0.000 2.319 182 R HA 0.197 4.536 4.340 -0.001 0.000 0.204 182 R C 2.109 178.461 176.300 0.087 0.000 0.954 182 R CA 0.457 56.597 56.100 0.065 0.000 1.066 182 R CB -0.053 30.287 30.300 0.067 0.000 0.991 182 R HN 0.285 nan 8.270 nan 0.000 0.486 183 G N 0.959 109.812 108.800 0.088 0.000 2.471 183 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.219 183 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.219 183 G C 0.739 175.703 174.900 0.107 0.000 1.125 183 G CA 0.343 45.506 45.100 0.105 0.000 0.775 183 G HN 0.174 nan 8.290 nan 0.000 0.548 184 I N 1.512 122.140 120.570 0.096 0.000 2.623 184 I HA 0.250 4.419 4.170 -0.001 0.000 0.275 184 I C -2.621 173.564 176.117 0.114 0.000 1.108 184 I CA -2.122 59.236 61.300 0.097 0.000 1.120 184 I CB 2.410 40.458 38.000 0.080 0.000 1.249 184 I HN -0.186 nan 8.210 nan 0.000 0.500 185 P HA 0.029 nan 4.420 nan 0.000 0.266 185 P C 0.757 178.164 177.300 0.179 0.000 1.195 185 P CA 0.144 63.343 63.100 0.165 0.000 0.768 185 P CB 1.139 32.971 31.700 0.221 0.000 0.838 186 A N 2.923 125.774 122.820 0.052 0.000 1.933 186 A HA 0.003 4.322 4.320 -0.001 0.000 0.218 186 A C 1.043 178.455 177.584 -0.286 0.000 1.175 186 A CA 2.197 54.195 52.037 -0.064 0.000 0.628 186 A CB -0.957 17.952 19.000 -0.152 0.000 0.814 186 A HN 0.648 nan 8.150 nan 0.000 0.444 187 T N -6.889 107.546 114.554 -0.198 0.000 2.816 187 T HA 0.502 4.852 4.350 -0.001 0.000 0.299 187 T C 0.355 175.015 174.700 -0.066 0.000 1.230 187 T CA -0.442 61.412 62.100 -0.410 0.000 1.007 187 T CB 0.359 69.168 68.868 -0.099 0.000 1.289 187 T HN 0.047 nan 8.240 nan 0.000 0.508 188 Y N 0.694 120.992 120.300 -0.004 0.000 2.333 188 Y HA 0.089 4.639 4.550 -0.001 0.000 0.290 188 Y C 2.747 178.538 175.900 -0.181 0.000 1.144 188 Y CA 0.863 58.861 58.100 -0.169 0.000 1.228 188 Y CB -0.606 37.630 38.460 -0.375 0.000 0.985 188 Y HN 0.557 nan 8.280 nan 0.000 0.542 189 R N -0.905 119.620 120.500 0.043 0.000 2.235 189 R HA -0.056 4.283 4.340 -0.001 0.000 0.213 189 R C 0.307 176.388 176.300 -0.365 0.000 1.059 189 R CA 0.873 56.886 56.100 -0.146 0.000 0.997 189 R CB -0.177 29.934 30.300 -0.315 0.000 0.884 189 R HN 0.427 nan 8.270 nan 0.000 0.462 190 H N 0.183 119.264 119.070 0.019 0.000 2.490 190 H HA 0.229 4.785 4.556 -0.001 0.000 0.285 190 H C 0.116 175.456 175.328 0.019 0.000 1.127 190 H CA -0.038 55.997 56.048 -0.022 0.000 0.993 190 H CB 0.149 29.878 29.762 -0.054 0.000 1.653 190 H HN 0.179 nan 8.280 nan 0.000 0.557 191 M N -1.305 118.415 119.600 0.201 0.000 2.631 191 M HA 0.457 4.936 4.480 -0.001 0.000 0.288 191 M C -1.218 175.309 176.300 0.378 0.000 1.260 191 M CA -1.044 54.377 55.300 0.202 0.000 0.842 191 M CB 2.747 35.521 32.600 0.290 0.000 1.743 191 M HN -0.163 nan 8.290 nan 0.000 0.461 192 H N 0.070 119.336 119.070 0.327 0.000 2.508 192 H HA 0.771 5.326 4.556 -0.001 0.000 0.358 192 H C -0.148 175.037 175.328 -0.238 0.000 1.212 192 H CA -0.267 55.862 56.048 0.134 0.000 1.356 192 H CB 1.555 31.309 29.762 -0.013 0.000 1.525 192 H HN 0.930 nan 8.280 nan 0.000 0.578 193 G N -0.004 108.298 108.800 -0.830 0.000 2.481 193 G HA2 0.575 4.535 3.960 -0.001 0.000 0.315 193 G HA3 0.575 4.535 3.960 -0.001 0.000 0.315 193 G C -1.599 172.674 174.900 -1.046 0.000 1.231 193 G CA -0.497 43.675 45.100 -1.547 0.000 0.968 193 G HN 0.334 nan 8.290 nan 0.000 0.482 194 F N -0.601 119.222 119.950 -0.211 0.000 2.608 194 F HA 0.460 4.987 4.527 -0.001 0.000 0.309 194 F C 1.153 176.965 175.800 0.021 0.000 1.103 194 F CA -0.448 57.497 58.000 -0.093 0.000 0.954 194 F CB 2.442 41.337 39.000 -0.176 0.000 1.267 194 F HN 0.628 nan 8.300 nan 0.000 0.444 195 G N 0.339 109.329 108.800 0.316 0.000 2.471 195 G HA2 0.085 4.044 3.960 -0.001 0.000 0.219 195 G HA3 0.085 4.044 3.960 -0.001 0.000 0.219 195 G C 0.950 176.036 174.900 0.311 0.000 1.125 195 G CA 1.020 46.379 45.100 0.432 0.000 0.775 195 G HN 0.754 nan 8.290 nan 0.000 0.548 196 S N -1.014 114.748 115.700 0.103 0.000 1.577 196 S HA -0.241 4.229 4.470 -0.001 0.000 0.240 196 S C 0.837 175.298 174.600 -0.230 0.000 0.755 196 S CA 1.358 59.467 58.200 -0.152 0.000 1.398 196 S CB -1.292 61.751 63.200 -0.262 0.000 1.552 196 S HN 0.713 nan 8.310 nan 0.000 0.510 197 H N 2.359 121.377 119.070 -0.087 0.000 2.690 197 H HA 0.271 4.827 4.556 -0.001 0.000 0.365 197 H C 0.472 175.618 175.328 -0.304 0.000 1.142 197 H CA 0.818 56.694 56.048 -0.286 0.000 1.417 197 H CB 0.055 29.450 29.762 -0.611 0.000 1.446 197 H HN 0.362 nan 8.280 nan 0.000 0.599 198 T N 3.665 118.142 114.554 -0.127 0.000 2.853 198 T HA 0.125 4.475 4.350 -0.001 0.000 0.298 198 T C 0.289 174.966 174.700 -0.038 0.000 0.978 198 T CA 0.346 62.418 62.100 -0.047 0.000 1.152 198 T CB -0.212 68.758 68.868 0.170 0.000 0.914 198 T HN 0.241 nan 8.240 nan 0.000 0.539 199 F N 0.738 120.827 119.950 0.233 0.000 2.695 199 F HA 0.661 5.188 4.527 -0.001 0.000 0.392 199 F C 0.919 176.953 175.800 0.389 0.000 1.209 199 F CA -0.869 57.332 58.000 0.334 0.000 1.138 199 F CB 1.085 40.331 39.000 0.410 0.000 1.557 199 F HN 0.522 nan 8.300 nan 0.000 0.496 200 S N -0.396 115.613 115.700 0.515 0.000 2.569 200 S HA 0.704 5.173 4.470 -0.001 0.000 0.280 200 S C -1.603 173.146 174.600 0.249 0.000 1.111 200 S CA -0.716 57.663 58.200 0.297 0.000 0.887 200 S CB 1.899 65.188 63.200 0.148 0.000 1.095 200 S HN 0.222 nan 8.310 nan 0.000 0.476 201 F N 1.226 121.248 119.950 0.121 0.000 2.480 201 F HA 0.631 5.158 4.527 -0.001 0.000 0.329 201 F C -0.264 175.589 175.800 0.088 0.000 1.091 201 F CA -2.005 56.060 58.000 0.109 0.000 0.972 201 F CB 1.582 40.662 39.000 0.134 0.000 1.150 201 F HN 0.440 nan 8.300 nan 0.000 0.467 202 I N 4.026 124.737 120.570 0.234 0.000 2.418 202 I HA 0.206 4.376 4.170 -0.001 0.000 0.287 202 I C -0.237 175.927 176.117 0.078 0.000 1.008 202 I CA -0.900 60.470 61.300 0.117 0.000 1.104 202 I CB 1.300 39.327 38.000 0.044 0.000 1.264 202 I HN 0.529 nan 8.210 nan 0.000 0.438 203 N N 3.230 121.987 118.700 0.094 0.000 2.448 203 N HA 0.191 4.931 4.740 -0.001 0.000 0.274 203 N C 0.684 176.193 175.510 -0.001 0.000 1.239 203 N CA -0.538 52.534 53.050 0.037 0.000 0.982 203 N CB 0.402 38.928 38.487 0.065 0.000 1.199 203 N HN 0.325 nan 8.380 nan 0.000 0.576 204 S N -1.277 114.408 115.700 -0.025 0.000 2.419 204 S HA -0.103 4.367 4.470 -0.001 0.000 0.235 204 S C 0.100 174.677 174.600 -0.039 0.000 1.019 204 S CA 1.052 59.228 58.200 -0.040 0.000 0.982 204 S CB -0.430 62.742 63.200 -0.046 0.000 0.789 204 S HN 0.559 nan 8.310 nan 0.000 0.490 205 D N 0.932 121.317 120.400 -0.025 0.000 2.358 205 D HA 0.169 4.809 4.640 -0.001 0.000 0.224 205 D C 0.215 176.498 176.300 -0.028 0.000 1.123 205 D CA -0.030 53.954 54.000 -0.027 0.000 0.833 205 D CB -0.213 40.575 40.800 -0.022 0.000 0.946 205 D HN 0.094 nan 8.370 nan 0.000 0.505 206 N N 1.418 120.103 118.700 -0.025 0.000 2.693 206 N HA -0.200 4.540 4.740 -0.001 0.000 0.249 206 N C -0.684 174.801 175.510 -0.041 0.000 1.119 206 N CA 0.683 53.716 53.050 -0.027 0.000 0.717 206 N CB -0.879 37.588 38.487 -0.034 0.000 1.071 206 N HN 0.490 nan 8.380 nan 0.000 0.555 207 E N 0.135 120.315 120.200 -0.034 0.000 2.343 207 E HA 0.223 4.573 4.350 -0.001 0.000 0.269 207 E C 0.558 177.088 176.600 -0.117 0.000 1.047 207 E CA -0.509 55.832 56.400 -0.099 0.000 0.874 207 E CB 1.431 31.067 29.700 -0.107 0.000 1.033 207 E HN 0.165 nan 8.360 nan 0.000 0.409 208 R N 2.526 122.860 120.500 -0.278 0.000 2.460 208 R HA 0.311 4.651 4.340 -0.001 0.000 0.303 208 R C -1.480 174.500 176.300 -0.534 0.000 0.968 208 R CA -0.407 55.498 56.100 -0.324 0.000 0.889 208 R CB 0.614 30.659 30.300 -0.426 0.000 1.123 208 R HN 0.520 nan 8.270 nan 0.000 0.455 209 Y N 2.461 122.634 120.300 -0.211 0.000 2.425 209 Y HA 0.326 4.876 4.550 -0.001 0.000 0.344 209 Y C -0.724 175.042 175.900 -0.223 0.000 0.969 209 Y CA -0.621 57.377 58.100 -0.169 0.000 1.052 209 Y CB 1.334 39.853 38.460 0.098 0.000 1.215 209 Y HN 0.548 nan 8.280 nan 0.000 0.451 210 W N 2.725 124.165 121.300 0.233 0.000 2.218 210 W HA 0.579 5.239 4.660 -0.001 0.000 0.326 210 W C -0.510 176.141 176.519 0.219 0.000 1.276 210 W CA -0.601 56.895 57.345 0.251 0.000 1.210 210 W CB 0.957 30.588 29.460 0.285 0.000 1.143 210 W HN 0.242 nan 8.180 nan 0.000 0.563 211 V N 3.894 123.992 119.914 0.307 0.000 2.888 211 V HA 0.483 4.603 4.120 -0.001 0.000 0.309 211 V C -1.013 174.820 176.094 -0.435 0.000 1.114 211 V CA -1.189 60.965 62.300 -0.243 0.000 0.940 211 V CB 1.998 33.214 31.823 -1.011 0.000 1.021 211 V HN 0.417 nan 8.190 nan 0.000 0.426 212 K N 5.019 125.067 120.400 -0.587 0.000 2.270 212 K HA 0.555 4.874 4.320 -0.001 0.000 0.255 212 K C -1.518 174.816 176.600 -0.443 0.000 0.936 212 K CA -0.237 55.743 56.287 -0.512 0.000 0.809 212 K CB 2.109 34.284 32.500 -0.542 0.000 1.131 212 K HN 0.533 nan 8.250 nan 0.000 0.427 213 F N 2.200 122.127 119.950 -0.037 0.000 2.420 213 F HA 0.333 4.859 4.527 -0.001 0.000 0.342 213 F C 0.868 176.526 175.800 -0.236 0.000 1.113 213 F CA -0.431 57.518 58.000 -0.085 0.000 1.059 213 F CB 1.074 40.071 39.000 -0.005 0.000 1.128 213 F HN 0.269 nan 8.300 nan 0.000 0.475 214 H N 3.378 122.318 119.070 -0.217 0.000 2.600 214 H HA 0.398 4.953 4.556 -0.001 0.000 0.357 214 H C -1.446 173.517 175.328 -0.610 0.000 1.106 214 H CA -0.783 55.071 56.048 -0.324 0.000 1.193 214 H CB 2.170 31.835 29.762 -0.163 0.000 1.594 214 H HN 0.433 nan 8.280 nan 0.000 0.526 215 F N 1.808 121.601 119.950 -0.261 0.000 2.445 215 F HA 0.224 4.750 4.527 -0.001 0.000 0.348 215 F C 0.029 175.820 175.800 -0.016 0.000 1.125 215 F CA -0.816 57.141 58.000 -0.071 0.000 0.983 215 F CB 1.478 40.393 39.000 -0.141 0.000 1.198 215 F HN 0.151 nan 8.300 nan 0.000 0.436 216 V N 2.574 122.607 119.914 0.198 0.000 2.383 216 V HA 0.225 4.345 4.120 -0.001 0.000 0.275 216 V C 0.384 176.608 176.094 0.217 0.000 1.036 216 V CA -0.692 61.627 62.300 0.030 0.000 0.889 216 V CB 1.359 33.120 31.823 -0.104 0.000 0.985 216 V HN 0.780 nan 8.190 nan 0.000 0.459 217 S N 3.814 119.726 115.700 0.353 0.000 2.525 217 S HA 0.055 4.525 4.470 -0.001 0.000 0.285 217 S C 0.989 175.469 174.600 -0.201 0.000 1.283 217 S CA -0.094 57.969 58.200 -0.228 0.000 1.072 217 S CB 0.539 63.681 63.200 -0.097 0.000 0.867 217 S HN 0.802 nan 8.310 nan 0.000 0.492 218 Q N 2.811 122.375 119.800 -0.394 0.000 2.451 218 Q HA 0.022 4.362 4.340 -0.001 0.000 0.206 218 Q C 1.103 176.974 176.000 -0.215 0.000 0.947 218 Q CA 0.484 56.153 55.803 -0.223 0.000 0.937 218 Q CB 0.145 28.763 28.738 -0.200 0.000 1.025 218 Q HN 0.707 nan 8.270 nan 0.000 0.511 219 Q N -0.492 119.116 119.800 -0.321 0.000 2.408 219 Q HA 0.185 4.524 4.340 -0.001 0.000 0.205 219 Q C 0.441 176.408 176.000 -0.056 0.000 0.919 219 Q CA 0.561 56.210 55.803 -0.255 0.000 0.932 219 Q CB 1.056 29.448 28.738 -0.577 0.000 1.058 219 Q HN 0.355 nan 8.270 nan 0.000 0.517 220 G N 0.336 109.114 108.800 -0.038 0.000 2.746 220 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.685 220 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.685 220 G C -0.905 174.035 174.900 0.067 0.000 1.350 220 G CA -0.866 44.263 45.100 0.049 0.000 0.837 220 G HN 0.055 nan 8.290 nan 0.000 0.564 221 I N 1.107 121.688 120.570 0.018 0.000 2.342 221 I HA 0.458 4.627 4.170 -0.001 0.000 0.291 221 I C 0.642 176.765 176.117 0.010 0.000 1.010 221 I CA 0.026 61.313 61.300 -0.022 0.000 1.308 221 I CB 1.090 39.041 38.000 -0.081 0.000 1.400 221 I HN 0.493 nan 8.210 nan 0.000 0.488 222 K N 5.979 126.385 120.400 0.010 0.000 2.513 222 K HA 0.501 4.821 4.320 -0.001 0.000 0.251 222 K C -1.000 175.575 176.600 -0.042 0.000 0.939 222 K CA -0.855 55.383 56.287 -0.082 0.000 0.793 222 K CB 2.642 34.955 32.500 -0.312 0.000 1.241 222 K HN 0.465 nan 8.250 nan 0.000 0.431 223 N N 2.158 120.836 118.700 -0.035 0.000 2.469 223 N HA 0.564 5.304 4.740 -0.001 0.000 0.286 223 N C -1.024 174.483 175.510 -0.005 0.000 1.275 223 N CA -0.700 52.351 53.050 0.002 0.000 0.790 223 N CB 1.636 40.134 38.487 0.018 0.000 1.446 223 N HN 0.291 nan 8.380 nan 0.000 0.501 224 L N 0.686 121.923 121.223 0.023 0.000 2.365 224 L HA 0.421 4.760 4.340 -0.001 0.000 0.273 224 L C 0.820 177.708 176.870 0.031 0.000 1.000 224 L CA -0.832 54.021 54.840 0.022 0.000 0.819 224 L CB 1.826 43.908 42.059 0.038 0.000 1.284 224 L HN 0.619 nan 8.230 nan 0.000 0.418 225 S N -0.229 115.485 115.700 0.023 0.000 2.608 225 S HA 0.078 4.548 4.470 -0.001 0.000 0.261 225 S C 0.570 175.193 174.600 0.038 0.000 1.314 225 S CA -0.529 57.689 58.200 0.030 0.000 0.992 225 S CB 1.022 64.234 63.200 0.022 0.000 0.935 225 S HN 0.626 nan 8.310 nan 0.000 0.564 226 D N 1.393 121.820 120.400 0.046 0.000 2.123 226 D HA -0.076 4.564 4.640 -0.001 0.000 0.196 226 D C 2.223 178.545 176.300 0.038 0.000 0.992 226 D CA 1.896 55.925 54.000 0.049 0.000 0.833 226 D CB -0.892 39.942 40.800 0.058 0.000 0.954 226 D HN 0.707 nan 8.370 nan 0.000 0.455 227 A N 0.919 123.759 122.820 0.032 0.000 1.877 227 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 227 A C 2.104 179.701 177.584 0.021 0.000 1.186 227 A CA 1.595 53.647 52.037 0.025 0.000 0.620 227 A CB -0.554 18.458 19.000 0.021 0.000 0.822 227 A HN 0.214 nan 8.150 nan 0.000 0.443 228 E N -0.276 119.936 120.200 0.020 0.000 2.077 228 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 228 E C 2.324 178.938 176.600 0.023 0.000 0.989 228 E CA 0.994 57.403 56.400 0.016 0.000 0.800 228 E CB -0.300 29.406 29.700 0.010 0.000 0.746 228 E HN 0.614 nan 8.360 nan 0.000 0.452 229 A N 1.123 123.962 122.820 0.031 0.000 1.902 229 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 229 A C 2.434 180.038 177.584 0.032 0.000 1.181 229 A CA 1.706 53.767 52.037 0.039 0.000 0.623 229 A CB -1.138 17.889 19.000 0.045 0.000 0.818 229 A HN 0.366 nan 8.150 nan 0.000 0.443 230 G N -0.671 108.147 108.800 0.029 0.000 2.422 230 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 230 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 230 G C 1.490 176.403 174.900 0.021 0.000 1.146 230 G CA 1.056 46.171 45.100 0.025 0.000 0.769 230 G HN 0.653 nan 8.290 nan 0.000 0.547 231 E N -0.295 119.916 120.200 0.020 0.000 2.077 231 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 231 E C 2.408 179.019 176.600 0.017 0.000 0.989 231 E CA 0.865 57.275 56.400 0.016 0.000 0.800 231 E CB -0.160 29.548 29.700 0.013 0.000 0.746 231 E HN 0.317 nan 8.360 nan 0.000 0.452 232 L N 0.578 121.813 121.223 0.021 0.000 2.017 232 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 232 L C 2.290 179.177 176.870 0.028 0.000 1.073 232 L CA 1.368 56.223 54.840 0.025 0.000 0.745 232 L CB -0.569 41.511 42.059 0.035 0.000 0.894 232 L HN 0.010 nan 8.230 nan 0.000 0.432 233 V N 0.251 120.181 119.914 0.028 0.000 2.343 233 V HA -0.226 3.894 4.120 -0.001 0.000 0.247 233 V C 2.652 178.758 176.094 0.020 0.000 1.051 233 V CA 1.770 64.085 62.300 0.023 0.000 1.036 233 V CB -1.687 30.147 31.823 0.020 0.000 0.654 233 V HN 0.645 nan 8.190 nan 0.000 0.451 234 G N -0.260 108.551 108.800 0.018 0.000 2.475 234 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.220 234 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.220 234 G C 1.384 176.293 174.900 0.015 0.000 1.125 234 G CA 1.402 46.511 45.100 0.016 0.000 0.755 234 G HN 0.646 nan 8.290 nan 0.000 0.565 235 N N -0.760 117.950 118.700 0.017 0.000 2.368 235 N HA 0.106 4.845 4.740 -0.001 0.000 0.176 235 N C -0.452 175.070 175.510 0.019 0.000 1.021 235 N CA 0.579 53.639 53.050 0.016 0.000 0.888 235 N CB 0.418 38.914 38.487 0.015 0.000 0.995 235 N HN 0.150 nan 8.380 nan 0.000 0.437 236 D N -0.917 119.497 120.400 0.023 0.000 2.419 236 D HA 0.222 4.861 4.640 -0.001 0.000 0.219 236 D C -0.317 176.002 176.300 0.031 0.000 1.349 236 D CA -0.378 53.639 54.000 0.027 0.000 0.964 236 D CB 0.804 41.623 40.800 0.030 0.000 1.463 236 D HN -0.261 nan 8.370 nan 0.000 0.573 237 R N 1.175 121.691 120.500 0.027 0.000 2.276 237 R HA 0.124 4.464 4.340 -0.001 0.000 0.203 237 R C 0.614 176.934 176.300 0.033 0.000 1.017 237 R CA 0.784 56.898 56.100 0.025 0.000 1.010 237 R CB 0.321 30.633 30.300 0.020 0.000 0.900 237 R HN 0.318 nan 8.270 nan 0.000 0.469 238 E N -0.919 119.306 120.200 0.042 0.000 2.585 238 E HA 0.086 4.435 4.350 -0.001 0.000 0.206 238 E C 0.781 177.430 176.600 0.081 0.000 1.007 238 E CA 0.190 56.624 56.400 0.056 0.000 1.028 238 E CB 0.597 30.320 29.700 0.039 0.000 1.087 238 E HN 0.217 nan 8.360 nan 0.000 0.455 239 S N 0.165 115.924 115.700 0.099 0.000 2.383 239 S HA -0.204 4.266 4.470 -0.001 0.000 0.229 239 S C 1.696 176.355 174.600 0.098 0.000 1.030 239 S CA 1.031 59.297 58.200 0.109 0.000 1.002 239 S CB -0.560 62.728 63.200 0.145 0.000 0.829 239 S HN 0.475 nan 8.310 nan 0.000 0.467 240 H N 0.333 119.338 119.070 -0.110 0.000 2.448 240 H HA 0.071 4.627 4.556 -0.001 0.000 0.292 240 H C 2.483 177.800 175.328 -0.019 0.000 1.035 240 H CA 1.234 57.135 56.048 -0.245 0.000 1.349 240 H CB -0.046 29.269 29.762 -0.745 0.000 1.425 240 H HN 0.478 nan 8.280 nan 0.000 0.539 241 Q N 2.051 121.983 119.800 0.219 0.000 2.050 241 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 241 Q C 2.325 178.425 176.000 0.166 0.000 0.980 241 Q CA 1.435 57.383 55.803 0.241 0.000 0.840 241 Q CB -0.149 28.698 28.738 0.182 0.000 0.898 241 Q HN 0.224 nan 8.270 nan 0.000 0.424 242 R N -0.180 120.385 120.500 0.109 0.000 2.091 242 R HA -0.190 4.149 4.340 -0.001 0.000 0.238 242 R C 1.860 178.204 176.300 0.073 0.000 1.136 242 R CA 1.961 58.109 56.100 0.080 0.000 0.959 242 R CB -0.480 29.852 30.300 0.053 0.000 0.856 242 R HN 0.548 nan 8.270 nan 0.000 0.437 243 D N -0.298 120.129 120.400 0.046 0.000 2.097 243 D HA -0.195 4.444 4.640 -0.001 0.000 0.195 243 D C 1.911 178.264 176.300 0.089 0.000 0.989 243 D CA 1.052 55.069 54.000 0.029 0.000 0.827 243 D CB -0.018 40.746 40.800 -0.060 0.000 0.966 243 D HN 0.172 nan 8.370 nan 0.000 0.456 244 L N 0.090 121.403 121.223 0.151 0.000 2.027 244 L HA -0.006 4.334 4.340 -0.001 0.000 0.206 244 L C 2.173 179.163 176.870 0.201 0.000 1.074 244 L CA 1.431 56.404 54.840 0.221 0.000 0.745 244 L CB -0.987 41.281 42.059 0.348 0.000 0.898 244 L HN 0.284 nan 8.230 nan 0.000 0.433 245 L N -0.390 120.945 121.223 0.187 0.000 1.989 245 L HA -0.240 4.099 4.340 -0.001 0.000 0.211 245 L C 2.057 179.014 176.870 0.144 0.000 1.071 245 L CA 2.163 57.105 54.840 0.170 0.000 0.749 245 L CB -0.851 41.301 42.059 0.154 0.000 0.890 245 L HN 0.318 nan 8.230 nan 0.000 0.431 246 D N -0.992 119.476 120.400 0.113 0.000 2.144 246 D HA -0.135 4.505 4.640 -0.001 0.000 0.200 246 D C 2.337 178.687 176.300 0.084 0.000 0.978 246 D CA 1.405 55.457 54.000 0.086 0.000 0.833 246 D CB -0.163 40.674 40.800 0.061 0.000 0.961 246 D HN 0.332 nan 8.370 nan 0.000 0.470 247 S N 0.318 116.074 115.700 0.094 0.000 2.359 247 S HA -0.108 4.362 4.470 -0.001 0.000 0.224 247 S C 2.170 176.837 174.600 0.112 0.000 1.035 247 S CA 0.631 58.880 58.200 0.082 0.000 1.018 247 S CB -0.169 63.088 63.200 0.095 0.000 0.876 247 S HN 0.260 nan 8.310 nan 0.000 0.448 248 I N 1.473 122.168 120.570 0.209 0.000 2.252 248 I HA -0.169 4.000 4.170 -0.001 0.000 0.245 248 I C 1.952 178.246 176.117 0.296 0.000 1.102 248 I CA 1.084 62.597 61.300 0.355 0.000 1.385 248 I CB -0.381 37.831 38.000 0.353 0.000 1.064 248 I HN 0.154 nan 8.210 nan 0.000 0.414 249 D N 0.873 121.387 120.400 0.190 0.000 2.182 249 D HA -0.166 4.473 4.640 -0.001 0.000 0.201 249 D C 1.471 177.819 176.300 0.079 0.000 0.986 249 D CA 1.261 55.346 54.000 0.141 0.000 0.847 249 D CB -0.479 40.388 40.800 0.111 0.000 0.942 249 D HN 0.447 nan 8.370 nan 0.000 0.467 250 N N 0.365 119.086 118.700 0.035 0.000 2.383 250 N HA 0.011 4.750 4.740 -0.001 0.000 0.192 250 N C -0.210 175.218 175.510 -0.137 0.000 1.141 250 N CA -0.060 52.973 53.050 -0.029 0.000 0.851 250 N CB 0.271 38.744 38.487 -0.024 0.000 0.976 250 N HN 0.066 nan 8.380 nan 0.000 0.465 251 Q N 0.008 119.670 119.800 -0.230 0.000 2.494 251 Q HA -0.204 4.136 4.340 -0.001 0.000 0.266 251 Q C -0.965 174.461 176.000 -0.957 0.000 1.053 251 Q CA 0.570 55.898 55.803 -0.791 0.000 1.029 251 Q CB -1.493 26.954 28.738 -0.484 0.000 1.423 251 Q HN 0.357 nan 8.270 nan 0.000 0.516 252 D N 0.282 120.388 120.400 -0.490 0.000 2.639 252 D HA 0.224 4.863 4.640 -0.001 0.000 0.233 252 D C -0.638 175.597 176.300 -0.108 0.000 1.161 252 D CA -0.245 53.589 54.000 -0.278 0.000 1.003 252 D CB -0.411 40.318 40.800 -0.118 0.000 1.034 252 D HN 0.114 nan 8.370 nan 0.000 0.514 253 F N 3.242 123.213 119.950 0.036 0.000 2.502 253 F HA 0.222 4.748 4.527 -0.001 0.000 0.371 253 F C -1.238 174.573 175.800 0.019 0.000 1.083 253 F CA -1.947 56.090 58.000 0.061 0.000 1.174 253 F CB 0.473 39.524 39.000 0.085 0.000 1.096 253 F HN 0.155 nan 8.300 nan 0.000 0.545 254 P HA 0.186 nan 4.420 nan 0.000 0.275 254 P C -1.121 176.156 177.300 -0.038 0.000 1.228 254 P CA -0.373 62.707 63.100 -0.033 0.000 0.786 254 P CB 1.261 32.969 31.700 0.013 0.000 0.927 255 K N 1.719 121.890 120.400 -0.382 0.000 2.426 255 K HA 0.548 4.867 4.320 -0.001 0.000 0.251 255 K C -1.002 175.267 176.600 -0.553 0.000 0.941 255 K CA -0.488 55.647 56.287 -0.253 0.000 0.808 255 K CB 2.346 34.781 32.500 -0.108 0.000 1.265 255 K HN 0.521 nan 8.250 nan 0.000 0.432 256 W N 0.931 121.992 121.300 -0.399 0.000 3.022 256 W HA 0.240 4.900 4.660 -0.001 0.000 0.335 256 W C -0.740 175.755 176.519 -0.040 0.000 1.133 256 W CA -0.637 56.572 57.345 -0.228 0.000 1.219 256 W CB 2.528 31.814 29.460 -0.290 0.000 1.409 256 W HN 0.408 nan 8.180 nan 0.000 0.507 257 T N 3.668 118.382 114.554 0.266 0.000 2.744 257 T HA 0.203 4.552 4.350 -0.001 0.000 0.291 257 T C -0.272 174.599 174.700 0.285 0.000 0.957 257 T CA -0.508 61.741 62.100 0.249 0.000 1.002 257 T CB 0.911 69.853 68.868 0.124 0.000 0.919 257 T HN 0.193 nan 8.240 nan 0.000 0.468 258 L N 4.928 126.375 121.223 0.374 0.000 2.361 258 L HA 0.381 4.721 4.340 -0.001 0.000 0.278 258 L C -0.184 176.714 176.870 0.046 0.000 1.113 258 L CA 0.464 55.382 54.840 0.130 0.000 0.849 258 L CB -0.219 42.062 42.059 0.370 0.000 1.155 258 L HN 0.497 nan 8.230 nan 0.000 0.452 259 K N 4.866 125.219 120.400 -0.079 0.000 2.375 259 K HA 0.759 5.079 4.320 -0.001 0.000 0.249 259 K C -1.320 175.228 176.600 -0.086 0.000 0.942 259 K CA -0.988 55.249 56.287 -0.083 0.000 0.806 259 K CB 2.545 34.965 32.500 -0.132 0.000 1.227 259 K HN 0.491 nan 8.250 nan 0.000 0.430 260 V N -1.291 118.555 119.914 -0.113 0.000 2.769 260 V HA 0.471 4.591 4.120 -0.001 0.000 0.312 260 V C -0.897 175.098 176.094 -0.165 0.000 1.061 260 V CA -1.031 61.185 62.300 -0.139 0.000 0.931 260 V CB 1.739 33.456 31.823 -0.177 0.000 1.010 260 V HN 0.714 nan 8.190 nan 0.000 0.433 261 Q N 2.757 122.482 119.800 -0.125 0.000 2.256 261 Q HA 0.726 5.066 4.340 -0.001 0.000 0.257 261 Q C -1.178 174.846 176.000 0.040 0.000 0.936 261 Q CA -0.474 55.332 55.803 0.005 0.000 0.903 261 Q CB 2.622 31.467 28.738 0.178 0.000 1.263 261 Q HN 0.773 nan 8.270 nan 0.000 0.440 262 I N 2.849 123.445 120.570 0.043 0.000 2.439 262 I HA 0.363 4.533 4.170 -0.001 0.000 0.285 262 I C -0.827 175.296 176.117 0.009 0.000 1.021 262 I CA -0.434 60.842 61.300 -0.040 0.000 1.091 262 I CB 1.624 39.395 38.000 -0.383 0.000 1.242 262 I HN 0.489 nan 8.210 nan 0.000 0.439 263 M N 9.019 128.600 119.600 -0.030 0.000 2.125 263 M HA 0.540 5.020 4.480 -0.001 0.000 0.321 263 M C -2.679 173.679 176.300 0.096 0.000 0.983 263 M CA -1.629 53.516 55.300 -0.258 0.000 0.934 263 M CB 1.990 34.005 32.600 -0.975 0.000 1.542 263 M HN 0.112 nan 8.290 nan 0.000 0.424 264 P HA 0.012 nan 4.420 nan 0.000 0.267 264 P C -0.021 177.276 177.300 -0.005 0.000 1.200 264 P CA 0.244 63.393 63.100 0.081 0.000 0.772 264 P CB 0.475 32.241 31.700 0.110 0.000 0.855 265 E N 2.121 122.216 120.200 -0.175 0.000 2.147 265 E HA -0.294 4.056 4.350 -0.001 0.000 0.199 265 E C 1.780 178.454 176.600 0.124 0.000 1.005 265 E CA 1.655 58.012 56.400 -0.072 0.000 0.810 265 E CB -0.232 29.340 29.700 -0.213 0.000 0.736 265 E HN 0.518 nan 8.360 nan 0.000 0.460 266 A N 1.131 123.970 122.820 0.032 0.000 1.930 266 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 266 A C 1.603 179.207 177.584 0.033 0.000 1.175 266 A CA 1.676 53.734 52.037 0.035 0.000 0.627 266 A CB -0.281 18.723 19.000 0.006 0.000 0.815 266 A HN 0.163 nan 8.150 nan 0.000 0.443 267 D N 0.304 120.722 120.400 0.030 0.000 2.218 267 D HA -0.024 4.616 4.640 -0.001 0.000 0.204 267 D C 2.054 178.290 176.300 -0.106 0.000 0.976 267 D CA 1.209 55.197 54.000 -0.020 0.000 0.853 267 D CB -0.337 40.475 40.800 0.020 0.000 0.939 267 D HN 0.447 nan 8.370 nan 0.000 0.481 268 A N 0.674 123.457 122.820 -0.062 0.000 2.024 268 A HA -0.063 4.257 4.320 -0.001 0.000 0.220 268 A C 2.195 179.692 177.584 -0.144 0.000 1.164 268 A CA 1.920 53.849 52.037 -0.181 0.000 0.643 268 A CB -0.459 18.522 19.000 -0.032 0.000 0.806 268 A HN 0.252 nan 8.150 nan 0.000 0.451 269 A N -1.060 121.727 122.820 -0.056 0.000 2.178 269 A HA 0.178 4.497 4.320 -0.001 0.000 0.211 269 A C 2.090 179.620 177.584 -0.091 0.000 1.157 269 A CA 1.722 53.727 52.037 -0.054 0.000 0.780 269 A CB -0.513 18.481 19.000 -0.011 0.000 0.828 269 A HN 0.689 nan 8.150 nan 0.000 0.476 270 T N -2.569 111.916 114.554 -0.116 0.000 2.990 270 T HA 0.250 4.600 4.350 -0.001 0.000 0.249 270 T C 0.661 175.246 174.700 -0.191 0.000 1.039 270 T CA 0.468 62.496 62.100 -0.120 0.000 1.036 270 T CB -1.160 67.660 68.868 -0.080 0.000 0.994 270 T HN 0.538 nan 8.240 nan 0.000 0.489 271 V N 1.531 121.263 119.914 -0.303 0.000 2.872 271 V HA 0.333 4.453 4.120 -0.001 0.000 0.307 271 V C -1.116 174.659 176.094 -0.532 0.000 1.072 271 V CA -1.366 60.612 62.300 -0.537 0.000 1.148 271 V CB 0.313 31.565 31.823 -0.952 0.000 0.954 271 V HN 0.142 nan 8.190 nan 0.000 0.490 272 P HA 0.140 nan 4.420 nan 0.000 0.249 272 P C -0.380 176.840 177.300 -0.133 0.000 1.229 272 P CA 0.519 63.486 63.100 -0.222 0.000 0.788 272 P CB -0.285 31.376 31.700 -0.065 0.000 1.072 273 Y N -2.031 118.240 120.300 -0.048 0.000 2.429 273 Y HA 0.590 5.140 4.550 -0.001 0.000 0.342 273 Y C 0.235 176.086 175.900 -0.081 0.000 1.004 273 Y CA -2.553 55.524 58.100 -0.039 0.000 1.075 273 Y CB -0.039 38.425 38.460 0.008 0.000 1.214 273 Y HN -0.342 nan 8.280 nan 0.000 0.455 274 N N 4.842 123.577 118.700 0.059 0.000 2.417 274 N HA 0.028 4.768 4.740 -0.001 0.000 0.272 274 N C -1.810 173.703 175.510 0.005 0.000 1.304 274 N CA -1.718 51.327 53.050 -0.008 0.000 0.906 274 N CB 0.716 39.233 38.487 0.050 0.000 1.135 274 N HN 0.536 nan 8.380 nan 0.000 0.483 275 P HA 0.028 nan 4.420 nan 0.000 0.245 275 P C -0.086 177.047 177.300 -0.280 0.000 1.212 275 P CA 0.714 63.669 63.100 -0.241 0.000 0.774 275 P CB -0.024 31.187 31.700 -0.816 0.000 0.999 276 F N -0.801 119.181 119.950 0.054 0.000 2.654 276 F HA 0.264 4.791 4.527 -0.001 0.000 0.303 276 F C 0.691 176.495 175.800 0.007 0.000 1.099 276 F CA -1.079 56.902 58.000 -0.032 0.000 1.270 276 F CB -0.204 38.706 39.000 -0.150 0.000 1.024 276 F HN -0.178 nan 8.300 nan 0.000 0.548 277 D N 1.537 122.023 120.400 0.142 0.000 2.339 277 D HA 0.064 4.703 4.640 -0.001 0.000 0.241 277 D C 1.186 177.526 176.300 0.067 0.000 1.183 277 D CA -0.019 54.043 54.000 0.104 0.000 0.859 277 D CB 1.160 42.017 40.800 0.095 0.000 1.067 277 D HN 0.136 nan 8.370 nan 0.000 0.484 278 L N 4.163 125.423 121.223 0.060 0.000 2.265 278 L HA -0.091 4.249 4.340 -0.001 0.000 0.215 278 L C 2.090 178.949 176.870 -0.018 0.000 1.117 278 L CA 1.822 56.666 54.840 0.006 0.000 0.782 278 L CB -0.696 41.390 42.059 0.044 0.000 0.914 278 L HN 0.591 nan 8.230 nan 0.000 0.441 279 T N -4.030 110.538 114.554 0.024 0.000 3.148 279 T HA 0.070 4.419 4.350 -0.001 0.000 0.253 279 T C 0.722 175.485 174.700 0.105 0.000 1.134 279 T CA 0.070 62.187 62.100 0.028 0.000 1.051 279 T CB -0.270 68.634 68.868 0.060 0.000 0.959 279 T HN 0.235 nan 8.240 nan 0.000 0.525 280 K N 1.063 121.500 120.400 0.062 0.000 2.385 280 K HA 0.633 4.952 4.320 -0.001 0.000 0.248 280 K C -0.481 176.121 176.600 0.004 0.000 0.955 280 K CA -1.078 55.271 56.287 0.104 0.000 0.816 280 K CB 2.851 35.410 32.500 0.100 0.000 1.250 280 K HN 0.115 nan 8.250 nan 0.000 0.434 281 V N -1.803 118.126 119.914 0.025 0.000 3.109 281 V HA 0.544 4.664 4.120 -0.001 0.000 0.317 281 V C -0.898 175.209 176.094 0.023 0.000 1.074 281 V CA -0.882 61.392 62.300 -0.043 0.000 1.033 281 V CB 0.789 32.611 31.823 -0.002 0.000 1.111 281 V HN 0.599 nan 8.190 nan 0.000 0.458 282 W N 0.799 122.041 121.300 -0.096 0.000 2.331 282 W HA 0.555 5.215 4.660 -0.001 0.000 0.306 282 W C -2.475 174.039 176.519 -0.009 0.000 1.162 282 W CA -2.957 54.303 57.345 -0.142 0.000 1.232 282 W CB -0.267 29.239 29.460 0.076 0.000 1.235 282 W HN 0.426 nan 8.180 nan 0.000 0.479 283 P HA -0.075 nan 4.420 nan 0.000 0.262 283 P C 0.769 178.245 177.300 0.292 0.000 1.182 283 P CA 0.588 63.761 63.100 0.122 0.000 0.761 283 P CB 0.643 32.352 31.700 0.014 0.000 0.795 284 H N 2.144 121.255 119.070 0.068 0.000 2.457 284 H HA -0.140 4.416 4.556 -0.001 0.000 0.297 284 H C 1.799 177.134 175.328 0.011 0.000 1.092 284 H CA 1.366 57.442 56.048 0.048 0.000 1.309 284 H CB -0.223 29.547 29.762 0.013 0.000 1.382 284 H HN 0.438 nan 8.280 nan 0.000 0.535 285 K N 0.159 120.634 120.400 0.126 0.000 2.113 285 K HA -0.168 4.151 4.320 -0.001 0.000 0.208 285 K C 0.910 177.486 176.600 -0.040 0.000 1.047 285 K CA 1.939 58.247 56.287 0.035 0.000 0.928 285 K CB 0.223 32.740 32.500 0.028 0.000 0.716 285 K HN 0.254 nan 8.250 nan 0.000 0.446 286 D N -1.603 118.758 120.400 -0.065 0.000 2.338 286 D HA -0.001 4.638 4.640 -0.001 0.000 0.224 286 D C -0.272 175.614 176.300 -0.690 0.000 0.967 286 D CA 0.851 54.639 54.000 -0.355 0.000 0.896 286 D CB 0.356 40.985 40.800 -0.285 0.000 1.028 286 D HN 0.116 nan 8.370 nan 0.000 0.493 287 Y N 1.220 121.567 120.300 0.078 0.000 2.594 287 Y HA 0.315 4.864 4.550 -0.001 0.000 0.338 287 Y C -2.261 173.614 175.900 -0.042 0.000 1.019 287 Y CA -2.401 55.730 58.100 0.052 0.000 1.306 287 Y CB 1.742 40.301 38.460 0.165 0.000 1.094 287 Y HN -0.154 nan 8.280 nan 0.000 0.534 288 P HA 0.094 nan 4.420 nan 0.000 0.274 288 P C -0.514 176.659 177.300 -0.211 0.000 1.237 288 P CA -0.423 62.594 63.100 -0.137 0.000 0.793 288 P CB 1.497 33.146 31.700 -0.084 0.000 0.977 289 L N 2.041 123.056 121.223 -0.345 0.000 2.416 289 L HA 0.192 4.532 4.340 -0.001 0.000 0.272 289 L C 0.627 177.374 176.870 -0.205 0.000 1.161 289 L CA 0.397 55.033 54.840 -0.339 0.000 0.845 289 L CB -0.609 41.208 42.059 -0.404 0.000 1.119 289 L HN 0.256 nan 8.230 nan 0.000 0.464 290 I N 2.795 123.257 120.570 -0.180 0.000 2.382 290 I HA 0.242 4.411 4.170 -0.001 0.000 0.286 290 I C 0.249 176.293 176.117 -0.123 0.000 1.002 290 I CA -0.623 60.592 61.300 -0.142 0.000 1.135 290 I CB 1.516 39.435 38.000 -0.135 0.000 1.288 290 I HN 0.578 nan 8.210 nan 0.000 0.448 291 E N 4.641 124.758 120.200 -0.139 0.000 2.384 291 E HA 0.166 4.516 4.350 -0.001 0.000 0.266 291 E C -0.158 176.441 176.600 -0.002 0.000 1.012 291 E CA -0.056 56.287 56.400 -0.095 0.000 0.901 291 E CB 1.175 30.767 29.700 -0.179 0.000 0.967 291 E HN 0.497 nan 8.360 nan 0.000 0.435 292 V N 3.060 123.036 119.914 0.104 0.000 2.996 292 V HA 0.413 4.532 4.120 -0.001 0.000 0.235 292 V C 0.753 177.015 176.094 0.280 0.000 1.205 292 V CA 0.614 63.004 62.300 0.149 0.000 1.225 292 V CB 0.736 32.570 31.823 0.019 0.000 0.995 292 V HN 0.818 nan 8.190 nan 0.000 0.484 293 G N 0.287 109.280 108.800 0.322 0.000 2.427 293 G HA2 0.576 4.535 3.960 -0.001 0.000 0.306 293 G HA3 0.576 4.535 3.960 -0.001 0.000 0.306 293 G C -1.950 173.081 174.900 0.220 0.000 1.280 293 G CA -0.093 45.097 45.100 0.149 0.000 0.837 293 G HN 0.379 nan 8.290 nan 0.000 0.482 294 E N -1.461 118.754 120.200 0.025 0.000 2.408 294 E HA 0.732 5.082 4.350 -0.001 0.000 0.275 294 E C -1.416 175.409 176.600 0.375 0.000 0.935 294 E CA -1.114 55.435 56.400 0.249 0.000 0.775 294 E CB 2.584 32.364 29.700 0.135 0.000 1.277 294 E HN 0.892 nan 8.360 nan 0.000 0.455 295 F N -0.681 119.577 119.950 0.512 0.000 2.546 295 F HA 0.675 5.201 4.527 -0.001 0.000 0.320 295 F C -0.831 175.205 175.800 0.392 0.000 1.076 295 F CA -0.965 57.320 58.000 0.474 0.000 0.928 295 F CB 1.657 41.019 39.000 0.603 0.000 1.189 295 F HN 0.614 nan 8.300 nan 0.000 0.465 296 E N 3.380 123.874 120.200 0.490 0.000 2.256 296 E HA 0.650 5.000 4.350 -0.001 0.000 0.267 296 E C -1.837 175.006 176.600 0.405 0.000 0.892 296 E CA -1.029 55.594 56.400 0.373 0.000 0.775 296 E CB 2.502 32.340 29.700 0.230 0.000 1.207 296 E HN 0.806 nan 8.360 nan 0.000 0.420 297 L N 3.112 124.565 121.223 0.383 0.000 2.272 297 L HA 0.370 4.709 4.340 -0.001 0.000 0.289 297 L C -0.196 176.703 176.870 0.048 0.000 1.032 297 L CA -0.632 54.355 54.840 0.245 0.000 0.810 297 L CB 0.639 42.892 42.059 0.323 0.000 1.205 297 L HN 0.737 nan 8.230 nan 0.000 0.422 298 N N 1.296 119.892 118.700 -0.173 0.000 2.082 298 N HA 0.139 4.879 4.740 -0.001 0.000 0.228 298 N C -0.176 175.133 175.510 -0.335 0.000 1.341 298 N CA -0.577 52.013 53.050 -0.767 0.000 0.873 298 N CB 0.694 38.479 38.487 -1.171 0.000 1.137 298 N HN 0.380 nan 8.380 nan 0.000 0.505 299 R N -0.030 120.465 120.500 -0.009 0.000 2.533 299 R HA 0.382 4.721 4.340 -0.001 0.000 0.288 299 R C -1.354 175.085 176.300 0.232 0.000 1.039 299 R CA -0.436 55.736 56.100 0.120 0.000 0.909 299 R CB 1.220 31.594 30.300 0.123 0.000 1.195 299 R HN 0.168 nan 8.270 nan 0.000 0.438 300 N N 3.191 122.023 118.700 0.219 0.000 2.520 300 N HA 0.227 4.967 4.740 -0.001 0.000 0.273 300 N C -2.322 173.357 175.510 0.281 0.000 1.155 300 N CA -1.358 51.834 53.050 0.236 0.000 0.967 300 N CB 0.758 39.367 38.487 0.203 0.000 1.092 300 N HN 0.190 nan 8.380 nan 0.000 0.457 301 P HA -0.029 nan 4.420 nan 0.000 0.267 301 P C 0.349 177.785 177.300 0.226 0.000 1.200 301 P CA -0.149 63.157 63.100 0.345 0.000 0.772 301 P CB 0.684 32.555 31.700 0.285 0.000 0.855 302 Q N 1.206 121.111 119.800 0.175 0.000 2.079 302 Q HA -0.072 4.268 4.340 -0.001 0.000 0.200 302 Q C 0.463 176.547 176.000 0.140 0.000 0.974 302 Q CA 1.535 57.413 55.803 0.126 0.000 0.840 302 Q CB -0.116 28.669 28.738 0.077 0.000 0.898 302 Q HN 0.517 nan 8.270 nan 0.000 0.430 303 N N -0.908 117.881 118.700 0.149 0.000 2.461 303 N HA 0.012 4.752 4.740 -0.001 0.000 0.284 303 N C -0.302 175.327 175.510 0.199 0.000 1.049 303 N CA -0.081 53.075 53.050 0.176 0.000 0.889 303 N CB 1.079 39.657 38.487 0.152 0.000 1.365 303 N HN -0.039 nan 8.380 nan 0.000 0.499 304 Y N 4.768 125.150 120.300 0.137 0.000 2.145 304 Y HA -0.178 4.372 4.550 -0.001 0.000 0.286 304 Y C 1.761 177.730 175.900 0.114 0.000 1.145 304 Y CA 1.683 59.859 58.100 0.128 0.000 1.148 304 Y CB -0.214 38.327 38.460 0.136 0.000 0.981 304 Y HN 0.654 nan 8.280 nan 0.000 0.507 305 F N 0.572 120.666 119.950 0.240 0.000 2.069 305 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 305 F C 2.312 178.102 175.800 -0.017 0.000 1.113 305 F CA 2.079 60.152 58.000 0.123 0.000 1.214 305 F CB -0.854 38.218 39.000 0.120 0.000 0.978 305 F HN 0.061 nan 8.300 nan 0.000 0.474 306 A N -0.626 122.220 122.820 0.044 0.000 1.968 306 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 306 A C 2.001 179.454 177.584 -0.219 0.000 1.169 306 A CA 1.751 53.749 52.037 -0.065 0.000 0.638 306 A CB -0.539 18.523 19.000 0.103 0.000 0.812 306 A HN 0.598 nan 8.150 nan 0.000 0.446 307 E N -1.387 118.683 120.200 -0.217 0.000 2.330 307 E HA 0.097 4.447 4.350 -0.001 0.000 0.200 307 E C 1.554 177.870 176.600 -0.473 0.000 0.922 307 E CA 0.618 56.830 56.400 -0.313 0.000 0.935 307 E CB 0.443 30.056 29.700 -0.145 0.000 0.917 307 E HN 0.363 nan 8.360 nan 0.000 0.491 308 V N 0.616 120.257 119.914 -0.455 0.000 2.627 308 V HA -0.060 4.060 4.120 -0.001 0.000 0.239 308 V C 2.112 177.915 176.094 -0.485 0.000 1.077 308 V CA 1.077 63.099 62.300 -0.464 0.000 1.103 308 V CB -0.039 31.294 31.823 -0.816 0.000 0.802 308 V HN 0.043 nan 8.190 nan 0.000 0.482 309 E N 1.038 120.876 120.200 -0.604 0.000 2.085 309 E HA -0.237 4.112 4.350 -0.001 0.000 0.194 309 E C 2.124 178.477 176.600 -0.411 0.000 0.994 309 E CA 1.686 57.858 56.400 -0.380 0.000 0.801 309 E CB -0.225 29.323 29.700 -0.254 0.000 0.743 309 E HN 0.622 nan 8.360 nan 0.000 0.453 310 Q N -0.272 119.194 119.800 -0.555 0.000 2.444 310 Q HA 0.223 4.563 4.340 -0.001 0.000 0.206 310 Q C -0.014 175.773 176.000 -0.355 0.000 0.948 310 Q CA 0.223 55.752 55.803 -0.458 0.000 0.946 310 Q CB 0.305 28.751 28.738 -0.487 0.000 1.027 310 Q HN 0.240 nan 8.270 nan 0.000 0.513 311 A N 1.158 123.753 122.820 -0.376 0.000 2.540 311 A HA 0.396 4.716 4.320 -0.001 0.000 0.239 311 A C -0.113 177.256 177.584 -0.359 0.000 1.061 311 A CA 0.354 52.129 52.037 -0.437 0.000 0.758 311 A CB 0.168 18.927 19.000 -0.401 0.000 0.991 311 A HN 0.274 nan 8.150 nan 0.000 0.502 312 A N 2.530 125.083 122.820 -0.445 0.000 2.332 312 A HA 0.693 5.012 4.320 -0.001 0.000 0.300 312 A C -0.949 176.409 177.584 -0.377 0.000 1.153 312 A CA -0.439 51.436 52.037 -0.271 0.000 0.764 312 A CB 0.441 19.351 19.000 -0.150 0.000 1.174 312 A HN 0.667 nan 8.150 nan 0.000 0.467 313 F N 1.936 121.836 119.950 -0.082 0.000 2.388 313 F HA 0.399 4.926 4.527 -0.001 0.000 0.358 313 F C 0.603 176.339 175.800 -0.107 0.000 1.122 313 F CA -0.366 57.554 58.000 -0.132 0.000 1.056 313 F CB 1.701 40.574 39.000 -0.210 0.000 1.155 313 F HN 0.681 nan 8.300 nan 0.000 0.461 314 N N 5.091 123.810 118.700 0.031 0.000 2.446 314 N HA 0.300 5.040 4.740 -0.001 0.000 0.265 314 N C -2.187 173.265 175.510 -0.096 0.000 0.975 314 N CA -2.018 51.009 53.050 -0.038 0.000 0.928 314 N CB 1.961 40.475 38.487 0.045 0.000 1.160 314 N HN 0.160 nan 8.380 nan 0.000 0.495 315 P HA -0.141 nan 4.420 nan 0.000 0.218 315 P C 0.695 178.089 177.300 0.156 0.000 1.146 315 P CA 0.959 64.003 63.100 -0.092 0.000 0.813 315 P CB 0.212 31.756 31.700 -0.259 0.000 0.778 316 A N -1.139 121.736 122.820 0.091 0.000 2.168 316 A HA -0.082 4.237 4.320 -0.001 0.000 0.215 316 A C 1.027 178.802 177.584 0.318 0.000 1.152 316 A CA 0.532 52.708 52.037 0.232 0.000 0.716 316 A CB -1.300 17.743 19.000 0.073 0.000 0.794 316 A HN 0.265 nan 8.150 nan 0.000 0.465 317 N N 0.203 119.026 118.700 0.205 0.000 2.739 317 N HA 0.334 5.073 4.740 -0.001 0.000 0.266 317 N C -0.758 174.896 175.510 0.240 0.000 1.168 317 N CA -0.287 52.867 53.050 0.172 0.000 1.055 317 N CB 0.722 39.267 38.487 0.096 0.000 1.393 317 N HN 0.150 nan 8.380 nan 0.000 0.514 318 V N 1.506 121.540 119.914 0.200 0.000 3.093 318 V HA 0.538 4.658 4.120 -0.001 0.000 0.320 318 V C -0.040 176.030 176.094 -0.039 0.000 1.093 318 V CA -0.664 61.689 62.300 0.088 0.000 1.016 318 V CB 2.097 33.897 31.823 -0.038 0.000 1.096 318 V HN 0.201 nan 8.190 nan 0.000 0.452 319 V N 0.722 120.518 119.914 -0.197 0.000 3.001 319 V HA 0.708 4.828 4.120 -0.001 0.000 0.314 319 V C -2.838 173.145 176.094 -0.184 0.000 1.099 319 V CA -2.921 59.267 62.300 -0.187 0.000 0.989 319 V CB 1.471 33.165 31.823 -0.215 0.000 1.040 319 V HN 0.707 nan 8.190 nan 0.000 0.434 320 P HA 0.298 nan 4.420 nan 0.000 0.261 320 P C 0.994 178.266 177.300 -0.047 0.000 1.173 320 P CA 2.064 65.159 63.100 -0.008 0.000 0.760 320 P CB 0.575 32.376 31.700 0.168 0.000 0.783 321 G N 2.404 111.189 108.800 -0.025 0.000 2.232 321 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.226 321 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.226 321 G C -0.014 174.898 174.900 0.020 0.000 0.996 321 G CA -0.276 44.801 45.100 -0.038 0.000 0.626 321 G HN 0.501 nan 8.290 nan 0.000 0.509 322 I N 0.880 121.419 120.570 -0.052 0.000 2.533 322 I HA 0.704 4.874 4.170 -0.001 0.000 0.290 322 I C 0.055 176.104 176.117 -0.113 0.000 1.056 322 I CA -0.616 60.682 61.300 -0.002 0.000 1.057 322 I CB 2.100 39.929 38.000 -0.286 0.000 1.240 322 I HN 0.168 nan 8.210 nan 0.000 0.423 323 S N 3.968 119.639 115.700 -0.048 0.000 2.880 323 S HA 0.721 5.191 4.470 -0.001 0.000 0.308 323 S C -0.894 173.659 174.600 -0.079 0.000 1.195 323 S CA -0.411 57.589 58.200 -0.333 0.000 0.866 323 S CB 0.993 64.052 63.200 -0.234 0.000 1.254 323 S HN 0.306 nan 8.310 nan 0.000 0.571 324 F N 1.743 121.885 119.950 0.321 0.000 2.363 324 F HA 0.787 5.313 4.527 -0.001 0.000 0.332 324 F C 1.004 177.002 175.800 0.329 0.000 1.039 324 F CA -0.214 57.970 58.000 0.306 0.000 1.127 324 F CB 0.196 39.289 39.000 0.156 0.000 1.701 324 F HN 0.655 nan 8.300 nan 0.000 0.532 325 S N -1.002 114.908 115.700 0.350 0.000 2.638 325 S HA 0.499 4.969 4.470 -0.001 0.000 0.274 325 S C -2.767 171.727 174.600 -0.178 0.000 1.157 325 S CA -1.173 57.094 58.200 0.111 0.000 0.826 325 S CB 1.725 64.929 63.200 0.006 0.000 1.139 325 S HN 0.287 nan 8.310 nan 0.000 0.474 326 P HA 0.160 nan 4.420 nan 0.000 0.258 326 P C -0.374 176.717 177.300 -0.348 0.000 1.403 326 P CA 0.065 62.885 63.100 -0.466 0.000 0.826 326 P CB -0.713 30.617 31.700 -0.617 0.000 1.414 327 D N 1.376 121.641 120.400 -0.225 0.000 2.426 327 D HA -0.059 4.581 4.640 -0.001 0.000 0.261 327 D C 1.123 177.385 176.300 -0.063 0.000 1.245 327 D CA 0.351 54.331 54.000 -0.033 0.000 0.917 327 D CB 0.740 41.556 40.800 0.026 0.000 1.123 327 D HN 0.021 nan 8.370 nan 0.000 0.508 328 K N 3.509 123.904 120.400 -0.008 0.000 2.113 328 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 328 K C 1.935 178.540 176.600 0.009 0.000 1.047 328 K CA 1.027 57.317 56.287 0.006 0.000 0.928 328 K CB 0.001 32.535 32.500 0.057 0.000 0.716 328 K HN 0.542 nan 8.250 nan 0.000 0.446 329 M N 0.318 119.946 119.600 0.048 0.000 2.099 329 M HA -0.122 4.358 4.480 -0.001 0.000 0.262 329 M C 2.334 178.594 176.300 -0.067 0.000 1.067 329 M CA 1.100 56.451 55.300 0.086 0.000 1.124 329 M CB -0.831 31.905 32.600 0.228 0.000 1.353 329 M HN 0.149 nan 8.290 nan 0.000 0.410 330 L N 1.119 122.127 121.223 -0.357 0.000 2.042 330 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 330 L C 2.506 179.165 176.870 -0.351 0.000 1.076 330 L CA 1.865 56.275 54.840 -0.716 0.000 0.749 330 L CB -0.806 40.693 42.059 -0.933 0.000 0.893 330 L HN 0.295 nan 8.230 nan 0.000 0.432 331 Q N -0.219 119.444 119.800 -0.229 0.000 2.061 331 Q HA -0.160 4.180 4.340 -0.001 0.000 0.204 331 Q C 2.169 178.107 176.000 -0.104 0.000 0.984 331 Q CA 1.762 57.462 55.803 -0.170 0.000 0.846 331 Q CB -1.022 27.651 28.738 -0.107 0.000 0.902 331 Q HN 0.673 nan 8.270 nan 0.000 0.421 332 G N 1.098 109.870 108.800 -0.045 0.000 2.442 332 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.219 332 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.219 332 G C 1.511 176.440 174.900 0.048 0.000 1.141 332 G CA 0.634 45.752 45.100 0.030 0.000 0.763 332 G HN 0.299 nan 8.290 nan 0.000 0.554 333 R N -0.118 120.372 120.500 -0.017 0.000 2.152 333 R HA 0.116 4.455 4.340 -0.001 0.000 0.232 333 R C 2.437 178.760 176.300 0.038 0.000 1.117 333 R CA 0.478 56.617 56.100 0.065 0.000 0.981 333 R CB -0.372 29.919 30.300 -0.014 0.000 0.870 333 R HN 0.346 nan 8.270 nan 0.000 0.451 334 L N -0.243 120.929 121.223 -0.085 0.000 2.265 334 L HA -0.155 4.185 4.340 -0.001 0.000 0.215 334 L C 2.125 179.011 176.870 0.026 0.000 1.117 334 L CA 0.924 55.685 54.840 -0.132 0.000 0.782 334 L CB -0.337 41.525 42.059 -0.329 0.000 0.914 334 L HN 0.166 nan 8.230 nan 0.000 0.441 335 F N 0.763 120.684 119.950 -0.048 0.000 2.188 335 F HA 0.088 4.615 4.527 -0.001 0.000 0.289 335 F C 2.435 178.244 175.800 0.015 0.000 1.082 335 F CA 0.906 58.894 58.000 -0.020 0.000 1.282 335 F CB -0.398 38.585 39.000 -0.028 0.000 1.060 335 F HN -0.088 nan 8.300 nan 0.000 0.493 336 A N -0.568 122.061 122.820 -0.318 0.000 1.972 336 A HA -0.150 4.170 4.320 -0.001 0.000 0.219 336 A C 1.977 179.309 177.584 -0.420 0.000 1.169 336 A CA 1.618 53.333 52.037 -0.536 0.000 0.635 336 A CB -1.399 17.425 19.000 -0.294 0.000 0.810 336 A HN 0.558 nan 8.150 nan 0.000 0.446 337 Y N -0.191 119.937 120.300 -0.287 0.000 2.176 337 Y HA 0.051 4.601 4.550 -0.001 0.000 0.291 337 Y C 2.828 178.619 175.900 -0.182 0.000 1.122 337 Y CA 0.852 58.836 58.100 -0.194 0.000 1.128 337 Y CB -1.057 37.329 38.460 -0.124 0.000 1.005 337 Y HN 0.296 nan 8.280 nan 0.000 0.509 338 G N -0.400 108.402 108.800 0.003 0.000 2.469 338 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.219 338 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.219 338 G C 1.300 176.139 174.900 -0.103 0.000 1.150 338 G CA 1.494 46.584 45.100 -0.017 0.000 0.763 338 G HN 0.412 nan 8.290 nan 0.000 0.561 339 D N 0.750 120.989 120.400 -0.268 0.000 2.092 339 D HA -0.040 4.600 4.640 -0.001 0.000 0.193 339 D C 2.742 178.926 176.300 -0.193 0.000 0.994 339 D CA 1.797 55.606 54.000 -0.318 0.000 0.828 339 D CB -0.437 39.898 40.800 -0.776 0.000 0.963 339 D HN 0.243 nan 8.370 nan 0.000 0.450 340 A N -0.301 122.381 122.820 -0.231 0.000 1.933 340 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 340 A C 2.194 179.730 177.584 -0.080 0.000 1.175 340 A CA 1.798 53.754 52.037 -0.134 0.000 0.628 340 A CB -0.685 18.190 19.000 -0.209 0.000 0.814 340 A HN 0.375 nan 8.150 nan 0.000 0.444 341 Q N -0.904 118.800 119.800 -0.161 0.000 2.123 341 Q HA -0.056 4.284 4.340 -0.001 0.000 0.199 341 Q C 2.331 178.098 176.000 -0.388 0.000 0.966 341 Q CA 1.146 56.756 55.803 -0.322 0.000 0.845 341 Q CB -0.105 28.384 28.738 -0.415 0.000 0.907 341 Q HN 0.609 nan 8.270 nan 0.000 0.439 342 R N -0.496 119.908 120.500 -0.159 0.000 2.091 342 R HA -0.202 4.138 4.340 -0.001 0.000 0.238 342 R C 2.111 178.405 176.300 -0.010 0.000 1.136 342 R CA 1.634 57.722 56.100 -0.021 0.000 0.959 342 R CB -0.369 29.957 30.300 0.043 0.000 0.856 342 R HN 0.313 nan 8.270 nan 0.000 0.437 343 Y N 1.367 121.606 120.300 -0.102 0.000 2.133 343 Y HA -0.211 4.338 4.550 -0.001 0.000 0.287 343 Y C 2.508 178.358 175.900 -0.083 0.000 1.134 343 Y CA 1.677 59.732 58.100 -0.076 0.000 1.133 343 Y CB -0.196 38.222 38.460 -0.071 0.000 0.987 343 Y HN -0.145 nan 8.280 nan 0.000 0.502 344 R N -0.238 120.143 120.500 -0.197 0.000 2.115 344 R HA -0.042 4.298 4.340 -0.001 0.000 0.230 344 R C 1.323 177.468 176.300 -0.259 0.000 1.111 344 R CA 1.942 57.881 56.100 -0.268 0.000 0.976 344 R CB -0.147 30.083 30.300 -0.117 0.000 0.870 344 R HN 0.515 nan 8.270 nan 0.000 0.445 345 L N -1.164 119.911 121.223 -0.246 0.000 2.878 345 L HA 0.410 4.750 4.340 -0.001 0.000 0.253 345 L C 0.304 177.122 176.870 -0.086 0.000 1.135 345 L CA 0.058 54.782 54.840 -0.193 0.000 0.943 345 L CB 1.392 43.277 42.059 -0.290 0.000 1.307 345 L HN 0.399 nan 8.230 nan 0.000 0.545 346 G N -0.027 108.729 108.800 -0.074 0.000 2.650 346 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.686 346 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.686 346 G C 0.109 175.073 174.900 0.106 0.000 1.205 346 G CA -0.344 44.757 45.100 0.001 0.000 0.781 346 G HN -0.255 nan 8.290 nan 0.000 0.648 347 V N 0.825 120.775 119.914 0.061 0.000 2.469 347 V HA -0.105 4.014 4.120 -0.001 0.000 0.251 347 V C 1.831 177.903 176.094 -0.037 0.000 1.064 347 V CA 2.495 64.823 62.300 0.046 0.000 1.066 347 V CB -0.280 31.542 31.823 -0.002 0.000 0.667 347 V HN 0.674 nan 8.190 nan 0.000 0.461 348 N N -0.052 118.618 118.700 -0.050 0.000 2.327 348 N HA 0.044 4.784 4.740 -0.001 0.000 0.231 348 N C 1.163 176.523 175.510 -0.250 0.000 1.130 348 N CA 0.680 53.614 53.050 -0.192 0.000 0.845 348 N CB -0.214 38.263 38.487 -0.016 0.000 1.073 348 N HN 0.901 nan 8.380 nan 0.000 0.496 349 H N -0.823 118.149 119.070 -0.162 0.000 2.518 349 H HA -0.005 4.550 4.556 -0.001 0.000 0.289 349 H C 1.273 176.497 175.328 -0.173 0.000 1.051 349 H CA 1.042 57.002 56.048 -0.146 0.000 1.280 349 H CB -0.046 29.633 29.762 -0.138 0.000 1.380 349 H HN 0.161 nan 8.280 nan 0.000 0.566 350 Q N 0.029 119.460 119.800 -0.615 0.000 2.482 350 Q HA -0.031 4.309 4.340 -0.001 0.000 0.209 350 Q C 0.817 176.673 176.000 -0.240 0.000 0.961 350 Q CA 0.190 55.751 55.803 -0.403 0.000 0.945 350 Q CB 0.232 28.720 28.738 -0.418 0.000 1.012 350 Q HN 0.739 nan 8.270 nan 0.000 0.515 351 H N -0.562 118.442 119.070 -0.109 0.000 2.548 351 H HA 0.124 4.680 4.556 -0.001 0.000 0.265 351 H C 0.271 175.557 175.328 -0.071 0.000 0.969 351 H CA 0.102 56.102 56.048 -0.079 0.000 1.155 351 H CB 0.104 29.822 29.762 -0.074 0.000 1.394 351 H HN 0.188 nan 8.280 nan 0.000 0.570 352 I N 3.092 123.669 120.570 0.011 0.000 2.587 352 I HA -0.033 4.137 4.170 -0.001 0.000 0.284 352 I C -1.096 174.985 176.117 -0.060 0.000 1.134 352 I CA -1.345 59.937 61.300 -0.030 0.000 1.410 352 I CB 0.954 38.915 38.000 -0.065 0.000 1.392 352 I HN -0.099 nan 8.210 nan 0.000 0.545 353 P HA -0.258 nan 4.420 nan 0.000 0.217 353 P C 1.774 179.012 177.300 -0.103 0.000 1.158 353 P CA 1.154 64.206 63.100 -0.080 0.000 0.887 353 P CB 0.178 31.829 31.700 -0.082 0.000 0.792 354 V N -0.290 119.535 119.914 -0.147 0.000 2.407 354 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 354 V C 1.648 177.662 176.094 -0.133 0.000 1.055 354 V CA 2.114 64.290 62.300 -0.205 0.000 1.049 354 V CB -0.988 30.517 31.823 -0.529 0.000 0.662 354 V HN 0.112 nan 8.190 nan 0.000 0.455 355 N N 0.566 119.176 118.700 -0.151 0.000 2.463 355 N HA 0.154 4.894 4.740 -0.001 0.000 0.181 355 N C 0.630 176.125 175.510 -0.025 0.000 1.078 355 N CA 0.792 53.769 53.050 -0.122 0.000 0.902 355 N CB -0.208 38.200 38.487 -0.131 0.000 0.970 355 N HN 0.543 nan 8.380 nan 0.000 0.451 356 A N 2.359 125.180 122.820 0.001 0.000 2.440 356 A HA 0.374 4.694 4.320 -0.001 0.000 0.251 356 A C -2.201 175.432 177.584 0.082 0.000 1.089 356 A CA -0.931 51.120 52.037 0.023 0.000 0.779 356 A CB 0.007 19.005 19.000 -0.002 0.000 1.022 356 A HN -0.028 nan 8.150 nan 0.000 0.492 357 P HA 0.352 nan 4.420 nan 0.000 0.275 357 P C 0.089 177.425 177.300 0.062 0.000 1.228 357 P CA -0.263 62.913 63.100 0.125 0.000 0.786 357 P CB 0.722 32.478 31.700 0.094 0.000 0.927 358 R N 0.545 121.081 120.500 0.061 0.000 2.265 358 R HA 0.104 4.444 4.340 -0.001 0.000 0.194 358 R C 0.672 176.985 176.300 0.022 0.000 0.931 358 R CA 0.365 56.461 56.100 -0.008 0.000 1.032 358 R CB -1.166 29.093 30.300 -0.069 0.000 0.980 358 R HN 0.651 nan 8.270 nan 0.000 0.497 359 C N -0.112 119.218 119.300 0.050 0.000 2.633 359 C HA 0.487 4.947 4.460 -0.001 0.000 0.345 359 C C -1.895 173.118 174.990 0.039 0.000 1.384 359 C CA -2.249 56.793 59.018 0.040 0.000 2.418 359 C CB 0.049 27.813 27.740 0.040 0.000 2.425 359 C HN 0.148 nan 8.230 nan 0.000 0.705 360 P HA 0.297 nan 4.420 nan 0.000 0.264 360 P C -0.616 176.729 177.300 0.074 0.000 1.193 360 P CA 0.387 63.513 63.100 0.042 0.000 0.763 360 P CB 0.353 32.066 31.700 0.021 0.000 0.810 361 V N 4.564 124.553 119.914 0.125 0.000 2.577 361 V HA 0.377 4.497 4.120 -0.001 0.000 0.303 361 V C -1.240 175.058 176.094 0.340 0.000 1.042 361 V CA -0.356 62.056 62.300 0.186 0.000 0.872 361 V CB 1.504 33.423 31.823 0.161 0.000 0.998 361 V HN 0.639 nan 8.190 nan 0.000 0.423 362 H N 4.797 123.992 119.070 0.208 0.000 2.699 362 H HA 0.260 4.816 4.556 -0.001 0.000 0.256 362 H C 0.480 175.977 175.328 0.282 0.000 1.376 362 H CA 0.475 56.709 56.048 0.310 0.000 1.549 362 H CB 1.453 31.330 29.762 0.191 0.000 1.686 362 H HN 0.791 nan 8.280 nan 0.000 0.550 363 S N 2.431 118.263 115.700 0.220 0.000 2.556 363 S HA -0.065 4.405 4.470 -0.001 0.000 0.216 363 S C 1.084 175.396 174.600 -0.479 0.000 0.970 363 S CA 0.395 58.572 58.200 -0.038 0.000 0.912 363 S CB -0.126 63.130 63.200 0.093 0.000 0.790 363 S HN 0.800 nan 8.310 nan 0.000 0.504 364 Y N 1.737 121.460 120.300 -0.962 0.000 2.786 364 Y HA -0.353 4.196 4.550 -0.001 0.000 0.482 364 Y C 0.187 175.532 175.900 -0.925 0.000 1.231 364 Y CA 1.656 58.738 58.100 -1.697 0.000 2.675 364 Y CB -1.996 35.632 38.460 -1.386 0.000 0.944 364 Y HN 0.559 nan 8.280 nan 0.000 0.535 365 H N 4.024 122.951 119.070 -0.239 0.000 3.001 365 H HA 0.368 4.924 4.556 -0.001 0.000 0.334 365 H C 0.298 175.553 175.328 -0.121 0.000 1.034 365 H CA 0.905 56.850 56.048 -0.170 0.000 1.420 365 H CB 0.289 30.047 29.762 -0.006 0.000 1.405 365 H HN 0.244 nan 8.280 nan 0.000 0.593 366 R N 2.164 122.633 120.500 -0.052 0.000 2.778 366 R HA 0.210 4.549 4.340 -0.001 0.000 0.277 366 R C 0.361 176.677 176.300 0.027 0.000 0.977 366 R CA -0.726 55.370 56.100 -0.006 0.000 0.950 366 R CB 1.175 31.419 30.300 -0.092 0.000 1.165 366 R HN 0.718 nan 8.270 nan 0.000 0.474 367 D N -0.065 120.359 120.400 0.039 0.000 3.624 367 D HA -0.207 4.433 4.640 -0.001 0.000 0.176 367 D C 0.424 176.743 176.300 0.032 0.000 1.162 367 D CA 1.981 55.998 54.000 0.028 0.000 1.089 367 D CB -1.134 39.676 40.800 0.017 0.000 0.579 367 D HN 0.872 nan 8.370 nan 0.000 0.658 368 G N -0.767 108.046 108.800 0.022 0.000 2.787 368 G HA2 0.379 4.338 3.960 -0.001 0.000 0.685 368 G HA3 0.379 4.338 3.960 -0.001 0.000 0.685 368 G C 0.075 174.987 174.900 0.020 0.000 1.437 368 G CA 0.545 45.656 45.100 0.019 0.000 0.872 368 G HN 1.502 nan 8.290 nan 0.000 0.566 369 A N 1.521 124.350 122.820 0.015 0.000 2.498 369 A HA 0.599 4.919 4.320 -0.001 0.000 0.239 369 A C 1.461 179.058 177.584 0.021 0.000 1.068 369 A CA 1.268 53.313 52.037 0.012 0.000 0.766 369 A CB 0.003 19.006 19.000 0.004 0.000 1.003 369 A HN 2.157 nan 8.150 nan 0.000 0.497 370 M N 0.357 119.967 119.600 0.017 0.000 2.350 370 M HA -0.137 4.342 4.480 -0.001 0.000 0.190 370 M C 0.120 176.442 176.300 0.037 0.000 0.710 370 M CA 0.656 55.969 55.300 0.022 0.000 0.495 370 M CB -1.571 31.044 32.600 0.024 0.000 1.136 370 M HN 0.841 nan 8.290 nan 0.000 0.901 371 R N 1.114 121.628 120.500 0.023 0.000 2.220 371 R HA 0.419 4.758 4.340 -0.001 0.000 0.340 371 R C 0.951 177.230 176.300 -0.035 0.000 1.076 371 R CA 0.208 56.317 56.100 0.014 0.000 0.920 371 R CB 0.386 30.691 30.300 0.008 0.000 1.062 371 R HN 0.358 nan 8.270 nan 0.000 0.469 372 V N 0.389 120.260 119.914 -0.073 0.000 3.477 372 V HA 0.211 4.331 4.120 -0.001 0.000 0.297 372 V C 0.762 176.747 176.094 -0.182 0.000 1.433 372 V CA 0.606 62.847 62.300 -0.099 0.000 1.052 372 V CB 0.607 32.395 31.823 -0.059 0.000 0.895 372 V HN 0.689 nan 8.190 nan 0.000 0.438 373 D N 0.999 121.209 120.400 -0.317 0.000 2.349 373 D HA 0.234 4.873 4.640 -0.001 0.000 0.215 373 D C 1.667 177.785 176.300 -0.305 0.000 1.016 373 D CA 1.095 54.850 54.000 -0.408 0.000 0.870 373 D CB 0.649 40.984 40.800 -0.776 0.000 0.917 373 D HN 0.903 nan 8.370 nan 0.000 0.524 374 G N 1.276 109.939 108.800 -0.227 0.000 2.213 374 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.226 374 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.226 374 G C 0.603 175.407 174.900 -0.160 0.000 0.992 374 G CA 0.191 45.194 45.100 -0.162 0.000 0.632 374 G HN 0.458 nan 8.290 nan 0.000 0.511 375 N N -1.098 117.443 118.700 -0.266 0.000 2.747 375 N HA -0.216 4.523 4.740 -0.001 0.000 0.249 375 N C 0.723 176.227 175.510 -0.010 0.000 1.107 375 N CA 1.786 54.732 53.050 -0.173 0.000 0.707 375 N CB -1.823 36.644 38.487 -0.034 0.000 1.054 375 N HN 1.470 nan 8.380 nan 0.000 0.555 376 F N -3.367 116.612 119.950 0.049 0.000 3.034 376 F HA -0.230 4.296 4.527 -0.001 0.000 0.286 376 F C 1.791 177.628 175.800 0.061 0.000 0.804 376 F CA 1.619 59.673 58.000 0.091 0.000 1.161 376 F CB -1.713 37.405 39.000 0.196 0.000 1.317 376 F HN 0.532 nan 8.300 nan 0.000 0.453 377 G N 0.231 109.102 108.800 0.119 0.000 2.672 377 G HA2 -0.435 3.524 3.960 -0.001 0.000 0.324 377 G HA3 -0.435 3.524 3.960 -0.001 0.000 0.324 377 G C 0.943 175.907 174.900 0.106 0.000 1.286 377 G CA 0.854 46.005 45.100 0.084 0.000 1.004 377 G HN 0.711 nan 8.290 nan 0.000 0.548 378 S N 1.019 116.771 115.700 0.087 0.000 2.593 378 S HA 0.272 4.741 4.470 -0.001 0.000 0.217 378 S C 0.989 175.644 174.600 0.092 0.000 0.966 378 S CA 0.946 59.193 58.200 0.079 0.000 0.914 378 S CB 0.102 63.334 63.200 0.054 0.000 0.776 378 S HN 0.827 nan 8.310 nan 0.000 0.523 379 T N 4.899 119.523 114.554 0.117 0.000 2.866 379 T HA 0.141 4.491 4.350 -0.001 0.000 0.293 379 T C 0.415 175.196 174.700 0.135 0.000 1.005 379 T CA -0.295 61.859 62.100 0.090 0.000 1.162 379 T CB -0.214 68.709 68.868 0.091 0.000 0.968 379 T HN 0.259 nan 8.240 nan 0.000 0.530 380 L N 1.708 122.984 121.223 0.088 0.000 2.499 380 L HA 0.490 4.829 4.340 -0.001 0.000 0.281 380 L C 1.215 178.237 176.870 0.253 0.000 1.234 380 L CA 0.056 54.979 54.840 0.138 0.000 0.839 380 L CB -0.080 42.000 42.059 0.036 0.000 1.104 380 L HN 0.587 nan 8.230 nan 0.000 0.500 381 G N 0.542 109.490 108.800 0.247 0.000 3.453 381 G HA2 0.236 4.195 3.960 -0.001 0.000 0.263 381 G HA3 0.236 4.195 3.960 -0.001 0.000 0.263 381 G C -0.250 174.762 174.900 0.188 0.000 1.060 381 G CA 0.151 45.323 45.100 0.121 0.000 0.793 381 G HN 0.801 nan 8.290 nan 0.000 0.532 382 Y N -1.416 119.028 120.300 0.241 0.000 2.524 382 Y HA 0.845 5.394 4.550 -0.001 0.000 0.344 382 Y C -0.709 175.364 175.900 0.289 0.000 1.012 382 Y CA -2.237 56.000 58.100 0.229 0.000 1.068 382 Y CB 1.863 40.405 38.460 0.137 0.000 1.249 382 Y HN -0.119 nan 8.280 nan 0.000 0.468 383 E N 3.384 123.744 120.200 0.267 0.000 2.304 383 E HA 0.358 4.708 4.350 -0.001 0.000 0.277 383 E C -2.857 173.835 176.600 0.153 0.000 0.898 383 E CA -1.887 54.611 56.400 0.163 0.000 0.764 383 E CB 2.147 31.934 29.700 0.145 0.000 1.216 383 E HN 0.833 nan 8.360 nan 0.000 0.419 384 P HA 0.278 nan 4.420 nan 0.000 0.271 384 P C -0.858 176.548 177.300 0.177 0.000 1.218 384 P CA -0.161 63.015 63.100 0.127 0.000 0.780 384 P CB 0.680 32.441 31.700 0.103 0.000 0.901 385 N N -0.743 117.994 118.700 0.063 0.000 2.732 385 N HA 0.253 4.992 4.740 -0.001 0.000 0.259 385 N C -0.443 175.079 175.510 0.019 0.000 1.402 385 N CA -0.793 52.266 53.050 0.015 0.000 0.829 385 N CB 0.545 38.782 38.487 -0.417 0.000 1.495 385 N HN 0.283 nan 8.380 nan 0.000 0.511 386 D N -1.395 119.029 120.400 0.041 0.000 2.358 386 D HA 0.024 4.664 4.640 -0.001 0.000 0.224 386 D C 0.020 176.313 176.300 -0.012 0.000 1.123 386 D CA 0.360 54.376 54.000 0.028 0.000 0.833 386 D CB -0.027 40.807 40.800 0.057 0.000 0.946 386 D HN 0.650 nan 8.370 nan 0.000 0.505 387 Q N -0.447 119.319 119.800 -0.057 0.000 2.194 387 Q HA 0.267 4.607 4.340 -0.001 0.000 0.214 387 Q C 0.894 176.831 176.000 -0.105 0.000 0.838 387 Q CA 0.153 55.907 55.803 -0.082 0.000 0.972 387 Q CB 1.006 29.677 28.738 -0.112 0.000 1.131 387 Q HN 0.398 nan 8.270 nan 0.000 0.498 388 G N 1.920 110.668 108.800 -0.088 0.000 2.187 388 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.261 388 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.261 388 G C 0.137 174.956 174.900 -0.135 0.000 1.000 388 G CA 0.503 45.552 45.100 -0.086 0.000 0.718 388 G HN 0.276 nan 8.290 nan 0.000 0.519 389 Q N -1.054 118.621 119.800 -0.208 0.000 2.259 389 Q HA 0.464 4.803 4.340 -0.001 0.000 0.246 389 Q C 0.667 176.503 176.000 -0.273 0.000 0.920 389 Q CA -0.195 55.359 55.803 -0.415 0.000 0.895 389 Q CB 0.071 28.439 28.738 -0.617 0.000 1.220 389 Q HN 0.678 nan 8.270 nan 0.000 0.439 390 W N 0.762 122.073 121.300 0.018 0.000 5.563 390 W HA -0.221 4.439 4.660 -0.001 0.000 0.396 390 W C -0.145 176.361 176.519 -0.022 0.000 1.519 390 W CA -0.008 57.332 57.345 -0.009 0.000 0.953 390 W CB -2.004 27.432 29.460 -0.040 0.000 2.691 390 W HN 0.656 nan 8.180 nan 0.000 1.444 391 A N 1.432 124.322 122.820 0.116 0.000 2.451 391 A HA 0.382 4.701 4.320 -0.001 0.000 0.266 391 A C 0.974 178.607 177.584 0.082 0.000 1.119 391 A CA 0.145 52.224 52.037 0.069 0.000 0.786 391 A CB 0.181 19.194 19.000 0.022 0.000 1.061 391 A HN 0.465 nan 8.150 nan 0.000 0.503 392 E N 2.699 122.939 120.200 0.066 0.000 2.428 392 E HA 0.120 4.469 4.350 -0.001 0.000 0.257 392 E C -0.733 175.915 176.600 0.080 0.000 1.197 392 E CA -0.138 56.299 56.400 0.062 0.000 0.974 392 E CB 0.393 30.118 29.700 0.041 0.000 0.976 392 E HN 0.652 nan 8.360 nan 0.000 0.463 393 Q N 0.894 120.760 119.800 0.110 0.000 2.907 393 Q HA 0.177 4.516 4.340 -0.001 0.000 0.262 393 Q C -1.933 174.180 176.000 0.188 0.000 0.997 393 Q CA -1.692 54.220 55.803 0.182 0.000 0.797 393 Q CB 1.530 30.439 28.738 0.286 0.000 1.228 393 Q HN 0.529 nan 8.270 nan 0.000 0.466 394 P HA -0.141 nan 4.420 nan 0.000 0.226 394 P C 0.241 177.553 177.300 0.021 0.000 1.153 394 P CA 0.852 63.987 63.100 0.059 0.000 0.777 394 P CB 0.482 32.198 31.700 0.028 0.000 0.794 395 D N -0.369 120.011 120.400 -0.033 0.000 2.221 395 D HA -0.132 4.508 4.640 -0.001 0.000 0.204 395 D C 1.141 177.261 176.300 -0.300 0.000 0.982 395 D CA 1.008 54.883 54.000 -0.208 0.000 0.857 395 D CB -0.705 39.878 40.800 -0.362 0.000 0.934 395 D HN 0.287 nan 8.370 nan 0.000 0.475 396 F N 0.199 120.143 119.950 -0.010 0.000 2.732 396 F HA 0.155 4.682 4.527 -0.001 0.000 0.303 396 F C 1.221 177.013 175.800 -0.014 0.000 1.110 396 F CA -0.246 57.745 58.000 -0.015 0.000 1.355 396 F CB 0.050 39.042 39.000 -0.013 0.000 1.081 396 F HN -0.322 nan 8.300 nan 0.000 0.565 397 S N 1.349 117.111 115.700 0.102 0.000 2.546 397 S HA 0.018 4.488 4.470 -0.001 0.000 0.290 397 S C 0.333 174.959 174.600 0.043 0.000 1.290 397 S CA -0.347 57.892 58.200 0.066 0.000 1.069 397 S CB 0.201 63.422 63.200 0.035 0.000 0.846 397 S HN 0.297 nan 8.310 nan 0.000 0.495 398 E N 4.600 124.825 120.200 0.042 0.000 2.319 398 E HA 0.336 4.685 4.350 -0.001 0.000 0.268 398 E C -2.078 174.528 176.600 0.011 0.000 1.050 398 E CA -1.920 54.493 56.400 0.022 0.000 0.878 398 E CB 0.307 30.020 29.700 0.022 0.000 1.066 398 E HN 0.540 nan 8.360 nan 0.000 0.406 399 P HA 0.172 nan 4.420 nan 0.000 0.272 399 P C -2.488 174.812 177.300 -0.001 0.000 1.223 399 P CA -1.149 61.943 63.100 -0.012 0.000 0.784 399 P CB -0.380 31.300 31.700 -0.034 0.000 0.923 400 P HA 0.177 nan 4.420 nan 0.000 0.270 400 P C -0.705 176.606 177.300 0.018 0.000 1.223 400 P CA -0.140 62.970 63.100 0.016 0.000 0.785 400 P CB 0.245 31.952 31.700 0.012 0.000 0.923 401 L N 2.282 123.528 121.223 0.038 0.000 2.305 401 L HA 0.326 4.665 4.340 -0.001 0.000 0.284 401 L C -0.158 176.740 176.870 0.047 0.000 1.013 401 L CA -0.305 54.569 54.840 0.056 0.000 0.819 401 L CB 0.243 42.359 42.059 0.096 0.000 1.227 401 L HN 0.284 nan 8.230 nan 0.000 0.417 402 N N 4.077 122.803 118.700 0.044 0.000 2.454 402 N HA 0.292 5.032 4.740 -0.001 0.000 0.254 402 N C -1.083 174.445 175.510 0.029 0.000 1.228 402 N CA -0.244 52.826 53.050 0.032 0.000 0.900 402 N CB 0.522 39.027 38.487 0.030 0.000 1.089 402 N HN 0.307 nan 8.380 nan 0.000 0.449 403 L N 1.320 122.551 121.223 0.015 0.000 2.354 403 L HA 0.480 4.820 4.340 -0.001 0.000 0.264 403 L C -0.728 176.137 176.870 -0.008 0.000 1.008 403 L CA -0.402 54.439 54.840 0.001 0.000 0.819 403 L CB 1.987 44.050 42.059 0.007 0.000 1.339 403 L HN 0.570 nan 8.230 nan 0.000 0.420 404 D N 0.528 120.910 120.400 -0.031 0.000 2.977 404 D HA 0.648 5.288 4.640 -0.001 0.000 0.220 404 D C -0.491 175.768 176.300 -0.069 0.000 1.267 404 D CA 0.614 54.590 54.000 -0.040 0.000 0.884 404 D CB 1.762 42.532 40.800 -0.050 0.000 1.667 404 D HN 0.873 nan 8.370 nan 0.000 0.536 405 G N 1.214 110.001 108.800 -0.021 0.000 2.570 405 G HA2 0.503 4.462 3.960 -0.001 0.000 0.686 405 G HA3 0.503 4.462 3.960 -0.001 0.000 0.686 405 G C -0.329 174.664 174.900 0.155 0.000 1.257 405 G CA -0.394 44.716 45.100 0.018 0.000 0.846 405 G HN 0.833 nan 8.290 nan 0.000 0.627 406 A N 0.102 123.121 122.820 0.332 0.000 2.366 406 A HA 0.879 5.199 4.320 -0.001 0.000 0.249 406 A C 1.175 178.967 177.584 0.347 0.000 1.084 406 A CA 1.012 53.226 52.037 0.295 0.000 0.794 406 A CB 0.397 19.546 19.000 0.249 0.000 1.034 406 A HN 2.584 nan 8.150 nan 0.000 0.491 407 A N 0.376 123.297 122.820 0.168 0.000 2.444 407 A HA 0.566 4.885 4.320 -0.001 0.000 0.273 407 A C 0.451 178.031 177.584 -0.007 0.000 1.136 407 A CA 0.617 52.715 52.037 0.101 0.000 0.799 407 A CB -0.834 18.184 19.000 0.030 0.000 1.081 407 A HN 2.357 nan 8.150 nan 0.000 0.509 408 A N 2.685 125.444 122.820 -0.102 0.000 2.599 408 A HA 0.638 4.958 4.320 -0.001 0.000 0.290 408 A C -0.707 176.629 177.584 -0.414 0.000 1.101 408 A CA -0.744 51.045 52.037 -0.414 0.000 0.674 408 A CB 0.601 19.022 19.000 -0.965 0.000 1.277 408 A HN 0.812 nan 8.150 nan 0.000 0.419 409 H N 0.567 119.461 119.070 -0.295 0.000 3.014 409 H HA 0.153 4.708 4.556 -0.001 0.000 0.266 409 H C -1.112 174.131 175.328 -0.141 0.000 1.455 409 H CA 0.230 56.203 56.048 -0.125 0.000 1.402 409 H CB -0.009 29.706 29.762 -0.078 0.000 1.626 409 H HN 0.538 nan 8.280 nan 0.000 0.520 410 W N 2.099 123.453 121.300 0.091 0.000 2.253 410 W HA -0.011 4.649 4.660 -0.001 0.000 0.322 410 W C 0.814 177.385 176.519 0.086 0.000 1.342 410 W CA -0.383 57.006 57.345 0.074 0.000 1.218 410 W CB 0.357 29.846 29.460 0.049 0.000 1.205 410 W HN 0.442 nan 8.180 nan 0.000 0.551 411 D N 2.804 123.372 120.400 0.280 0.000 2.346 411 D HA -0.063 4.577 4.640 -0.001 0.000 0.260 411 D C 1.318 177.701 176.300 0.138 0.000 1.252 411 D CA 0.084 54.164 54.000 0.133 0.000 0.895 411 D CB 0.454 41.293 40.800 0.064 0.000 1.097 411 D HN 0.538 nan 8.370 nan 0.000 0.489 412 H N 3.092 122.263 119.070 0.169 0.000 2.491 412 H HA 0.039 4.594 4.556 -0.001 0.000 0.290 412 H C 1.122 176.526 175.328 0.127 0.000 1.050 412 H CA 1.041 57.176 56.048 0.144 0.000 1.309 412 H CB -0.015 29.834 29.762 0.146 0.000 1.392 412 H HN 0.298 nan 8.280 nan 0.000 0.554 413 R N 0.665 121.073 120.500 -0.154 0.000 2.339 413 R HA -0.037 4.303 4.340 -0.001 0.000 0.199 413 R C 1.626 177.947 176.300 0.036 0.000 1.018 413 R CA 0.633 56.742 56.100 0.015 0.000 1.036 413 R CB -0.075 30.212 30.300 -0.022 0.000 0.899 413 R HN 0.590 nan 8.270 nan 0.000 0.473 414 E N 1.417 121.645 120.200 0.047 0.000 2.160 414 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 414 E C 0.054 176.653 176.600 -0.000 0.000 0.991 414 E CA 0.802 57.227 56.400 0.042 0.000 0.810 414 E CB 0.126 29.869 29.700 0.073 0.000 0.742 414 E HN 0.088 nan 8.360 nan 0.000 0.466 415 D N 0.700 121.095 120.400 -0.008 0.000 2.380 415 D HA 0.022 4.662 4.640 -0.001 0.000 0.230 415 D C -0.244 175.868 176.300 -0.313 0.000 1.154 415 D CA 0.098 54.042 54.000 -0.092 0.000 0.859 415 D CB 0.849 41.628 40.800 -0.034 0.000 1.045 415 D HN 0.063 nan 8.370 nan 0.000 0.495 416 E N 2.036 122.008 120.200 -0.379 0.000 2.444 416 E HA -0.021 4.328 4.350 -0.001 0.000 0.191 416 E C -0.252 175.866 176.600 -0.803 0.000 1.041 416 E CA -0.169 55.803 56.400 -0.714 0.000 0.883 416 E CB 0.488 30.043 29.700 -0.242 0.000 1.024 416 E HN 0.326 nan 8.360 nan 0.000 0.470 417 D N 0.161 120.237 120.400 -0.540 0.000 2.508 417 D HA -0.035 4.604 4.640 -0.001 0.000 0.224 417 D C -0.118 175.929 176.300 -0.422 0.000 1.171 417 D CA -0.014 53.788 54.000 -0.330 0.000 1.006 417 D CB -0.100 40.618 40.800 -0.138 0.000 1.073 417 D HN 0.092 nan 8.370 nan 0.000 0.513 418 Y N 1.302 121.319 120.300 -0.472 0.000 2.497 418 Y HA 0.163 4.713 4.550 -0.001 0.000 0.265 418 Y C 1.073 176.569 175.900 -0.674 0.000 1.111 418 Y CA -0.010 57.640 58.100 -0.750 0.000 1.288 418 Y CB 0.060 37.720 38.460 -1.333 0.000 1.082 418 Y HN 0.261 nan 8.280 nan 0.000 0.536 419 F N -2.055 117.962 119.950 0.111 0.000 2.740 419 F HA 0.108 4.635 4.527 -0.001 0.000 0.304 419 F C 2.333 178.143 175.800 0.018 0.000 1.098 419 F CA 0.283 58.324 58.000 0.068 0.000 1.258 419 F CB -0.695 38.357 39.000 0.086 0.000 1.061 419 F HN -0.082 nan 8.300 nan 0.000 0.598 420 S N 0.486 116.269 115.700 0.138 0.000 2.356 420 S HA -0.238 4.232 4.470 -0.001 0.000 0.223 420 S C 1.826 176.425 174.600 -0.002 0.000 1.032 420 S CA 1.405 59.650 58.200 0.075 0.000 1.005 420 S CB -0.740 62.492 63.200 0.053 0.000 0.867 420 S HN 0.477 nan 8.310 nan 0.000 0.449 421 Q N 1.486 121.228 119.800 -0.096 0.000 2.050 421 Q HA -0.005 4.334 4.340 -0.001 0.000 0.202 421 Q C -0.301 175.464 176.000 -0.391 0.000 0.980 421 Q CA 1.569 57.216 55.803 -0.261 0.000 0.840 421 Q CB -1.431 27.095 28.738 -0.353 0.000 0.898 421 Q HN 0.506 nan 8.270 nan 0.000 0.424 422 P HA -0.167 nan 4.420 nan 0.000 0.216 422 P C 1.275 178.623 177.300 0.079 0.000 1.150 422 P CA 1.924 64.963 63.100 -0.101 0.000 0.843 422 P CB -0.382 31.384 31.700 0.110 0.000 0.787 423 G N -0.250 108.614 108.800 0.107 0.000 2.418 423 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.217 423 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.217 423 G C 1.226 176.205 174.900 0.131 0.000 1.158 423 G CA 0.839 46.035 45.100 0.161 0.000 0.771 423 G HN 0.169 nan 8.290 nan 0.000 0.545 424 D N 0.225 120.651 120.400 0.044 0.000 2.104 424 D HA -0.116 4.523 4.640 -0.001 0.000 0.194 424 D C 2.383 178.689 176.300 0.010 0.000 0.994 424 D CA 0.717 54.726 54.000 0.016 0.000 0.830 424 D CB -0.398 40.389 40.800 -0.022 0.000 0.959 424 D HN 0.250 nan 8.370 nan 0.000 0.452 425 L N -0.012 121.214 121.223 0.006 0.000 2.017 425 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 425 L C 2.177 179.050 176.870 0.006 0.000 1.073 425 L CA 1.356 56.203 54.840 0.012 0.000 0.745 425 L CB -0.762 41.327 42.059 0.050 0.000 0.894 425 L HN -0.049 nan 8.230 nan 0.000 0.432 426 F N 0.560 120.438 119.950 -0.121 0.000 2.091 426 F HA -0.159 4.367 4.527 -0.001 0.000 0.299 426 F C 2.191 177.926 175.800 -0.108 0.000 1.103 426 F CA 1.921 59.809 58.000 -0.187 0.000 1.228 426 F CB -1.027 37.828 39.000 -0.243 0.000 0.984 426 F HN 0.142 nan 8.300 nan 0.000 0.477 427 G N 0.256 109.024 108.800 -0.053 0.000 2.479 427 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.220 427 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.220 427 G C 1.586 176.382 174.900 -0.174 0.000 1.115 427 G CA 1.064 46.090 45.100 -0.123 0.000 0.757 427 G HN 0.467 nan 8.290 nan 0.000 0.560 428 L N -0.248 120.886 121.223 -0.149 0.000 2.529 428 L HA 0.315 4.655 4.340 -0.001 0.000 0.223 428 L C 1.336 178.113 176.870 -0.156 0.000 1.113 428 L CA -0.271 54.495 54.840 -0.123 0.000 0.861 428 L CB -0.121 41.891 42.059 -0.079 0.000 1.012 428 L HN 0.188 nan 8.230 nan 0.000 0.461 429 M N 0.570 120.028 119.600 -0.237 0.000 2.243 429 M HA 0.099 4.579 4.480 -0.001 0.000 0.341 429 M C 0.902 177.050 176.300 -0.255 0.000 1.130 429 M CA 0.016 55.167 55.300 -0.248 0.000 1.162 429 M CB 0.916 33.312 32.600 -0.339 0.000 1.497 429 M HN 0.123 nan 8.290 nan 0.000 0.456 430 T N -0.257 114.186 114.554 -0.186 0.000 2.766 430 T HA 0.308 4.657 4.350 -0.001 0.000 0.295 430 T C 1.188 175.773 174.700 -0.192 0.000 1.024 430 T CA -0.325 61.682 62.100 -0.156 0.000 1.018 430 T CB 0.811 69.616 68.868 -0.105 0.000 1.002 430 T HN 0.712 nan 8.240 nan 0.000 0.532 431 A N 0.237 122.973 122.820 -0.140 0.000 1.940 431 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 431 A C 2.275 179.785 177.584 -0.122 0.000 1.176 431 A CA 2.011 53.977 52.037 -0.119 0.000 0.631 431 A CB -1.143 17.825 19.000 -0.053 0.000 0.814 431 A HN 1.037 nan 8.150 nan 0.000 0.446 432 E N 0.314 120.453 120.200 -0.102 0.000 2.072 432 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 432 E C 1.862 178.386 176.600 -0.126 0.000 0.985 432 E CA 1.835 58.182 56.400 -0.088 0.000 0.801 432 E CB -0.234 29.430 29.700 -0.061 0.000 0.750 432 E HN 0.598 nan 8.360 nan 0.000 0.452 433 K N -0.186 120.123 120.400 -0.151 0.000 2.217 433 K HA -0.057 4.262 4.320 -0.001 0.000 0.202 433 K C 2.380 178.825 176.600 -0.259 0.000 1.051 433 K CA 1.187 57.376 56.287 -0.163 0.000 0.952 433 K CB -0.018 32.398 32.500 -0.140 0.000 0.736 433 K HN 0.247 nan 8.250 nan 0.000 0.453 434 Q N 0.254 119.827 119.800 -0.378 0.000 2.079 434 Q HA -0.097 4.243 4.340 -0.001 0.000 0.200 434 Q C 2.215 177.622 176.000 -0.988 0.000 0.974 434 Q CA 1.375 56.783 55.803 -0.658 0.000 0.840 434 Q CB -0.135 28.215 28.738 -0.648 0.000 0.898 434 Q HN 0.319 nan 8.270 nan 0.000 0.430 435 A N 0.924 123.431 122.820 -0.522 0.000 1.933 435 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 435 A C 2.027 179.530 177.584 -0.135 0.000 1.175 435 A CA 1.050 52.941 52.037 -0.243 0.000 0.628 435 A CB -0.581 18.399 19.000 -0.033 0.000 0.814 435 A HN 0.289 nan 8.150 nan 0.000 0.444 436 I N -0.536 119.951 120.570 -0.138 0.000 2.226 436 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 436 I C 2.496 178.602 176.117 -0.018 0.000 1.100 436 I CA 1.057 62.328 61.300 -0.050 0.000 1.374 436 I CB -0.255 37.718 38.000 -0.044 0.000 1.057 436 I HN 0.365 nan 8.210 nan 0.000 0.413 437 L N 0.420 121.586 121.223 -0.095 0.000 2.012 437 L HA -0.261 4.079 4.340 -0.001 0.000 0.210 437 L C 2.624 179.615 176.870 0.201 0.000 1.073 437 L CA 1.996 56.846 54.840 0.018 0.000 0.748 437 L CB -0.380 41.638 42.059 -0.068 0.000 0.891 437 L HN 0.184 nan 8.230 nan 0.000 0.431 438 F N 0.018 120.069 119.950 0.168 0.000 2.102 438 F HA -0.301 4.226 4.527 -0.001 0.000 0.298 438 F C 2.395 178.253 175.800 0.097 0.000 1.105 438 F CA 1.067 59.157 58.000 0.150 0.000 1.239 438 F CB -0.361 38.714 39.000 0.124 0.000 0.991 438 F HN 0.257 nan 8.300 nan 0.000 0.474 439 D N 0.333 120.884 120.400 0.252 0.000 2.097 439 D HA -0.163 4.476 4.640 -0.001 0.000 0.197 439 D C 1.619 178.000 176.300 0.133 0.000 0.984 439 D CA 1.669 55.761 54.000 0.153 0.000 0.826 439 D CB -0.359 40.505 40.800 0.106 0.000 0.973 439 D HN 0.211 nan 8.370 nan 0.000 0.460 440 N N -1.088 117.700 118.700 0.146 0.000 2.069 440 N HA -0.140 4.600 4.740 -0.001 0.000 0.191 440 N C 1.605 177.231 175.510 0.194 0.000 1.031 440 N CA 1.637 54.782 53.050 0.159 0.000 0.852 440 N CB -0.086 38.501 38.487 0.167 0.000 1.018 440 N HN 0.159 nan 8.380 nan 0.000 0.423 441 T N 0.762 115.456 114.554 0.233 0.000 2.674 441 T HA -0.106 4.244 4.350 -0.001 0.000 0.265 441 T C 2.126 176.853 174.700 0.046 0.000 1.039 441 T CA 1.258 63.490 62.100 0.220 0.000 1.150 441 T CB -0.441 68.622 68.868 0.325 0.000 0.864 441 T HN 0.329 nan 8.240 nan 0.000 0.427 442 A N 1.727 124.575 122.820 0.047 0.000 1.908 442 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 442 A C 2.391 179.945 177.584 -0.049 0.000 1.181 442 A CA 1.550 53.560 52.037 -0.046 0.000 0.627 442 A CB -0.510 18.467 19.000 -0.039 0.000 0.818 442 A HN 0.409 nan 8.150 nan 0.000 0.445 443 R N -0.727 119.781 120.500 0.013 0.000 2.115 443 R HA -0.028 4.311 4.340 -0.001 0.000 0.226 443 R C 2.043 178.362 176.300 0.033 0.000 1.100 443 R CA 0.972 57.084 56.100 0.020 0.000 0.980 443 R CB -0.342 29.985 30.300 0.045 0.000 0.875 443 R HN 0.591 nan 8.270 nan 0.000 0.445 444 N N 0.857 119.604 118.700 0.078 0.000 2.223 444 N HA -0.127 4.612 4.740 -0.001 0.000 0.185 444 N C 1.327 176.826 175.510 -0.019 0.000 1.016 444 N CA 0.950 54.097 53.050 0.162 0.000 0.863 444 N CB 0.117 38.853 38.487 0.415 0.000 0.983 444 N HN 0.206 nan 8.380 nan 0.000 0.429 445 L N 0.539 121.610 121.223 -0.254 0.000 2.591 445 L HA 0.066 4.406 4.340 -0.001 0.000 0.228 445 L C 0.855 177.615 176.870 -0.184 0.000 1.133 445 L CA -0.174 54.416 54.840 -0.417 0.000 0.880 445 L CB -0.342 41.415 42.059 -0.502 0.000 1.033 445 L HN 0.113 nan 8.230 nan 0.000 0.450 446 N N 0.974 119.618 118.700 -0.093 0.000 2.440 446 N HA -0.032 4.708 4.740 -0.001 0.000 0.265 446 N C 1.118 176.611 175.510 -0.029 0.000 1.239 446 N CA 1.029 54.049 53.050 -0.050 0.000 0.909 446 N CB 0.665 39.138 38.487 -0.023 0.000 1.066 446 N HN 0.323 nan 8.380 nan 0.000 0.474 447 G N 2.176 110.961 108.800 -0.024 0.000 2.179 447 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.260 447 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.260 447 G C 0.099 174.997 174.900 -0.004 0.000 0.977 447 G CA 0.256 45.352 45.100 -0.008 0.000 0.641 447 G HN 0.552 nan 8.290 nan 0.000 0.533 448 V N 2.470 122.372 119.914 -0.020 0.000 2.555 448 V HA 0.370 4.490 4.120 -0.001 0.000 0.286 448 V C -1.250 174.847 176.094 0.004 0.000 1.044 448 V CA -1.210 61.085 62.300 -0.009 0.000 1.026 448 V CB 1.141 32.928 31.823 -0.059 0.000 0.981 448 V HN 0.134 nan 8.190 nan 0.000 0.480 449 P HA -0.008 nan 4.420 nan 0.000 0.263 449 P C 0.740 178.051 177.300 0.019 0.000 1.175 449 P CA 0.110 63.221 63.100 0.017 0.000 0.761 449 P CB 0.522 32.231 31.700 0.015 0.000 0.794 450 K N 3.848 124.261 120.400 0.022 0.000 2.113 450 K HA -0.237 4.082 4.320 -0.001 0.000 0.208 450 K C 1.758 178.323 176.600 -0.058 0.000 1.047 450 K CA 1.629 57.927 56.287 0.019 0.000 0.928 450 K CB -0.086 32.416 32.500 0.003 0.000 0.716 450 K HN 0.513 nan 8.250 nan 0.000 0.446 451 E N 1.006 121.173 120.200 -0.054 0.000 2.153 451 E HA -0.217 4.132 4.350 -0.001 0.000 0.194 451 E C 1.935 178.511 176.600 -0.040 0.000 0.988 451 E CA 1.416 57.775 56.400 -0.068 0.000 0.811 451 E CB -0.405 29.267 29.700 -0.046 0.000 0.746 451 E HN 0.516 nan 8.360 nan 0.000 0.466 452 I N 1.087 121.658 120.570 0.002 0.000 2.286 452 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 452 I C 2.879 179.023 176.117 0.045 0.000 1.104 452 I CA 1.099 62.426 61.300 0.045 0.000 1.397 452 I CB -0.339 37.712 38.000 0.084 0.000 1.072 452 I HN 0.050 nan 8.210 nan 0.000 0.417 453 Q N 0.256 120.069 119.800 0.022 0.000 2.077 453 Q HA -0.254 4.085 4.340 -0.001 0.000 0.206 453 Q C 2.293 178.330 176.000 0.062 0.000 0.989 453 Q CA 1.496 57.326 55.803 0.045 0.000 0.853 453 Q CB -0.240 28.599 28.738 0.168 0.000 0.907 453 Q HN 0.331 nan 8.270 nan 0.000 0.418 454 L N 0.824 122.011 121.223 -0.060 0.000 2.083 454 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 454 L C 2.273 179.057 176.870 -0.143 0.000 1.083 454 L CA 1.628 56.360 54.840 -0.180 0.000 0.752 454 L CB -0.703 41.169 42.059 -0.312 0.000 0.899 454 L HN 0.158 nan 8.230 nan 0.000 0.433 455 R N -1.338 119.091 120.500 -0.118 0.000 2.103 455 R HA -0.242 4.098 4.340 -0.001 0.000 0.242 455 R C 2.215 178.336 176.300 -0.299 0.000 1.142 455 R CA 1.719 57.698 56.100 -0.203 0.000 0.960 455 R CB -0.763 29.489 30.300 -0.081 0.000 0.858 455 R HN 0.464 nan 8.270 nan 0.000 0.439 456 H N 0.507 119.497 119.070 -0.134 0.000 2.326 456 H HA -0.030 4.526 4.556 -0.001 0.000 0.301 456 H C 1.973 177.220 175.328 -0.134 0.000 1.081 456 H CA 1.576 57.611 56.048 -0.022 0.000 1.334 456 H CB -0.126 29.683 29.762 0.078 0.000 1.385 456 H HN -0.112 nan 8.280 nan 0.000 0.504 457 V N -0.013 119.753 119.914 -0.247 0.000 2.407 457 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 457 V C 2.380 178.253 176.094 -0.368 0.000 1.055 457 V CA 2.172 64.219 62.300 -0.422 0.000 1.049 457 V CB -0.900 30.662 31.823 -0.435 0.000 0.662 457 V HN 0.542 nan 8.190 nan 0.000 0.455 458 T N -1.002 113.402 114.554 -0.250 0.000 2.684 458 T HA -0.224 4.125 4.350 -0.001 0.000 0.267 458 T C 1.846 176.429 174.700 -0.195 0.000 1.036 458 T CA 1.869 63.867 62.100 -0.170 0.000 1.148 458 T CB -0.406 68.339 68.868 -0.206 0.000 0.863 458 T HN 0.523 nan 8.240 nan 0.000 0.436 459 H N 0.470 119.413 119.070 -0.212 0.000 2.319 459 H HA -0.031 4.525 4.556 -0.001 0.000 0.299 459 H C 2.748 177.852 175.328 -0.373 0.000 1.092 459 H CA 0.769 56.665 56.048 -0.253 0.000 1.302 459 H CB -1.140 28.669 29.762 0.078 0.000 1.373 459 H HN 0.389 nan 8.280 nan 0.000 0.497 460 C N 0.353 119.400 119.300 -0.422 0.000 2.413 460 C HA -0.176 4.284 4.460 -0.001 0.000 0.277 460 C C 2.669 177.373 174.990 -0.477 0.000 1.265 460 C CA 0.716 59.247 59.018 -0.812 0.000 1.752 460 C CB -1.347 25.554 27.740 -1.399 0.000 1.998 460 C HN 0.538 nan 8.230 nan 0.000 0.489 461 Y N 1.846 121.908 120.300 -0.396 0.000 2.224 461 Y HA -0.171 4.379 4.550 -0.001 0.000 0.289 461 Y C 2.401 178.191 175.900 -0.184 0.000 1.146 461 Y CA 1.680 59.657 58.100 -0.204 0.000 1.182 461 Y CB -0.281 38.155 38.460 -0.041 0.000 0.983 461 Y HN 0.281 nan 8.280 nan 0.000 0.524 462 K N -0.288 120.012 120.400 -0.166 0.000 2.097 462 K HA -0.171 4.149 4.320 -0.001 0.000 0.206 462 K C 2.328 178.822 176.600 -0.176 0.000 1.049 462 K CA 1.040 57.142 56.287 -0.308 0.000 0.933 462 K CB -0.355 31.604 32.500 -0.901 0.000 0.717 462 K HN 0.384 nan 8.250 nan 0.000 0.442 463 A N 1.098 123.859 122.820 -0.098 0.000 1.877 463 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 463 A C 0.840 178.440 177.584 0.026 0.000 1.186 463 A CA 1.415 53.507 52.037 0.092 0.000 0.620 463 A CB 0.039 19.169 19.000 0.217 0.000 0.822 463 A HN 0.333 nan 8.150 nan 0.000 0.443 464 D N -3.642 116.701 120.400 -0.094 0.000 2.871 464 D HA 0.248 4.888 4.640 -0.001 0.000 0.209 464 D C -2.623 173.472 176.300 -0.341 0.000 1.292 464 D CA -1.202 52.719 54.000 -0.132 0.000 0.869 464 D CB 1.410 42.233 40.800 0.039 0.000 1.663 464 D HN -0.203 nan 8.370 nan 0.000 0.557 465 P HA -0.158 nan 4.420 nan 0.000 0.216 465 P C 1.029 178.176 177.300 -0.254 0.000 1.154 465 P CA 1.918 64.486 63.100 -0.886 0.000 0.865 465 P CB 0.287 31.656 31.700 -0.552 0.000 0.789 466 A N -2.238 120.550 122.820 -0.053 0.000 2.014 466 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 466 A C 2.191 179.813 177.584 0.064 0.000 1.163 466 A CA 0.907 53.023 52.037 0.133 0.000 0.652 466 A CB -1.585 17.633 19.000 0.364 0.000 0.808 466 A HN 0.107 nan 8.150 nan 0.000 0.449 467 Y N 0.972 120.944 120.300 -0.546 0.000 2.109 467 Y HA -0.051 4.498 4.550 -0.001 0.000 0.285 467 Y C 2.458 178.107 175.900 -0.419 0.000 1.131 467 Y CA 1.203 58.808 58.100 -0.824 0.000 1.121 467 Y CB -1.165 36.502 38.460 -1.323 0.000 0.987 467 Y HN 0.226 nan 8.280 nan 0.000 0.495 468 G N -0.289 108.344 108.800 -0.279 0.000 2.440 468 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.218 468 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.218 468 G C 1.656 176.386 174.900 -0.282 0.000 1.154 468 G CA 0.946 45.877 45.100 -0.282 0.000 0.767 468 G HN 0.531 nan 8.290 nan 0.000 0.552 469 E N 0.126 120.316 120.200 -0.017 0.000 2.106 469 E HA -0.010 4.340 4.350 -0.001 0.000 0.192 469 E C 2.678 179.109 176.600 -0.282 0.000 0.984 469 E CA 0.866 57.279 56.400 0.022 0.000 0.806 469 E CB -0.499 29.294 29.700 0.155 0.000 0.750 469 E HN 0.314 nan 8.360 nan 0.000 0.458 470 G N 1.141 109.558 108.800 -0.638 0.000 2.469 470 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.219 470 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.219 470 G C 1.540 175.877 174.900 -0.938 0.000 1.150 470 G CA 1.140 45.374 45.100 -1.443 0.000 0.763 470 G HN 0.261 nan 8.290 nan 0.000 0.561 471 I N 0.941 121.140 120.570 -0.619 0.000 2.333 471 I HA 0.044 4.214 4.170 -0.001 0.000 0.246 471 I C 3.108 179.014 176.117 -0.351 0.000 1.106 471 I CA 0.761 61.876 61.300 -0.308 0.000 1.411 471 I CB -0.534 37.352 38.000 -0.191 0.000 1.082 471 I HN 0.213 nan 8.210 nan 0.000 0.420 472 G N 1.234 109.779 108.800 -0.426 0.000 2.476 472 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.218 472 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.218 472 G C 1.722 176.493 174.900 -0.214 0.000 1.164 472 G CA 0.882 45.772 45.100 -0.351 0.000 0.768 472 G HN 0.299 nan 8.290 nan 0.000 0.560 473 K N -0.192 120.115 120.400 -0.154 0.000 2.032 473 K HA 0.016 4.335 4.320 -0.001 0.000 0.209 473 K C 2.523 179.032 176.600 -0.152 0.000 1.048 473 K CA 1.087 57.310 56.287 -0.107 0.000 0.927 473 K CB -0.336 32.114 32.500 -0.084 0.000 0.712 473 K HN 0.277 nan 8.250 nan 0.000 0.441 474 L N 0.706 121.822 121.223 -0.178 0.000 2.191 474 L HA -0.153 4.186 4.340 -0.001 0.000 0.212 474 L C 2.011 178.734 176.870 -0.244 0.000 1.103 474 L CA 0.873 55.622 54.840 -0.153 0.000 0.769 474 L CB -0.246 41.758 42.059 -0.091 0.000 0.908 474 L HN 0.199 nan 8.230 nan 0.000 0.438 475 L N -0.648 120.315 121.223 -0.433 0.000 2.558 475 L HA 0.164 4.504 4.340 -0.001 0.000 0.225 475 L C 1.336 177.792 176.870 -0.689 0.000 1.128 475 L CA 0.482 54.912 54.840 -0.683 0.000 0.868 475 L CB -0.248 41.096 42.059 -1.192 0.000 1.006 475 L HN 0.454 nan 8.230 nan 0.000 0.454 476 G N 0.227 108.775 108.800 -0.419 0.000 2.149 476 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.235 476 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.235 476 G C 0.086 175.004 174.900 0.030 0.000 1.018 476 G CA -0.417 44.585 45.100 -0.163 0.000 0.728 476 G HN 0.253 nan 8.290 nan 0.000 0.508 477 F N 0.520 120.484 119.950 0.024 0.000 2.385 477 F HA 0.405 4.931 4.527 -0.001 0.000 0.336 477 F C 0.614 176.475 175.800 0.102 0.000 1.100 477 F CA -1.351 56.694 58.000 0.076 0.000 1.116 477 F CB 0.931 40.020 39.000 0.149 0.000 1.166 477 F HN -0.086 nan 8.300 nan 0.000 0.511 478 D N 2.185 122.716 120.400 0.219 0.000 2.345 478 D HA 0.055 4.695 4.640 -0.001 0.000 0.247 478 D C 1.208 177.422 176.300 -0.143 0.000 1.108 478 D CA 0.081 54.107 54.000 0.044 0.000 0.894 478 D CB 1.420 42.202 40.800 -0.029 0.000 1.203 478 D HN 0.542 nan 8.370 nan 0.000 0.430 479 I N 1.970 122.373 120.570 -0.277 0.000 2.236 479 I HA -0.369 3.800 4.170 -0.001 0.000 0.249 479 I C 2.000 177.556 176.117 -0.936 0.000 1.102 479 I CA 1.728 62.553 61.300 -0.792 0.000 1.365 479 I CB 0.066 37.858 38.000 -0.348 0.000 1.051 479 I HN 0.379 nan 8.210 nan 0.000 0.420 480 S N -0.270 115.135 115.700 -0.490 0.000 2.469 480 S HA -0.191 4.278 4.470 -0.001 0.000 0.238 480 S C 1.619 175.990 174.600 -0.382 0.000 0.998 480 S CA 1.278 59.247 58.200 -0.386 0.000 0.957 480 S CB -0.592 62.473 63.200 -0.224 0.000 0.764 480 S HN 0.651 nan 8.310 nan 0.000 0.514 481 E N 0.200 120.159 120.200 -0.402 0.000 2.358 481 E HA -0.020 4.330 4.350 -0.001 0.000 0.195 481 E C 0.588 177.050 176.600 -0.229 0.000 1.010 481 E CA 0.889 57.129 56.400 -0.266 0.000 0.856 481 E CB -0.044 29.544 29.700 -0.188 0.000 0.795 481 E HN 1.065 nan 8.360 nan 0.000 0.504 482 Y N -2.436 117.699 120.300 -0.276 0.000 2.779 482 Y HA 0.372 4.921 4.550 -0.001 0.000 0.251 482 Y C 0.025 175.661 175.900 -0.440 0.000 1.145 482 Y CA -1.033 56.881 58.100 -0.310 0.000 1.201 482 Y CB -0.539 37.767 38.460 -0.257 0.000 1.281 482 Y HN -0.261 nan 8.280 nan 0.000 0.563 483 N N 2.530 120.880 118.700 -0.584 0.000 2.454 483 N HA 0.041 4.781 4.740 -0.001 0.000 0.260 483 N C 0.243 175.526 175.510 -0.377 0.000 1.218 483 N CA 1.429 54.078 53.050 -0.669 0.000 0.904 483 N CB 0.660 38.870 38.487 -0.462 0.000 1.065 483 N HN 0.530 nan 8.380 nan 0.000 0.462 484 S N 0.000 115.516 115.700 -0.307 0.000 2.498 484 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 484 S CA 0.000 58.249 58.200 0.082 0.000 1.107 484 S CB 0.000 63.236 63.200 0.060 0.000 0.593 484 S HN 0.000 nan 8.310 nan 0.000 0.517