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 2zpa_1_A DATA FIRST_RESID 2 DATA SEQUENCE AELTALHTLT AQXKREGIRR LLVLSGEEGW CFEHTLKLRD ALPGDWLWIS DATA SEQUENCE PRPXXXXXXX XXXXQTLLGR EFRHAVFDAR HGFDAAAFAA LSGTLKAGSW DATA SEQUENCE LVLLLPVWEE WENQPDADSL RWSDCPDPIA TPHFVQHLKR VLTADNEAIL DATA SEQUENCE WRQNQPFSLA HFTPRTDWYP ATGAPQPEQQ QLLKQLXTXP PGVAAVTAAR DATA SEQUENCE GRGKSALAGQ LISRIAGRAI VTAPAKASTD VLAQFAGEKF RFIAPDALLA DATA SEQUENCE SDEQADWLVV DEAAAIPAPL LHQLVSRFPR TLLTTTVQGY EGTGRGFLLK DATA SEQUENCE FCARFPHLHR FELQQPIRWA QGCPLEKXVS EALVFDDENF THTPQGNIVI DATA SEQUENCE SAFEQTLWQS DPETPLKVYQ LLSGAHYRTS PLDLRRXXDA PGQHFLQAAG DATA SEQUENCE ENEIAGALWL VDEGGLSQQL SQAVWAGFRR PRGNLVAQSL AAHGNNPLAA DATA SEQUENCE TLRGRRVSRI AVHPARQREG TGRQLIAGAL QYTQDLDYLS VSFGYTGELW DATA SEQUENCE RFWQRCGFVL VRXGNHREAS SGCYTAXALL PXSDAGKQLA EREHYRLRRD DATA SEQUENCE AQALAQWNGE TLPVDPLNDA VLSDDDWLEL AGFAFAHRPL LTSLGCLLRL DATA SEQUENCE LQTSELALPA LRGRLQKNAS DAQLCTTLKL SGRKXLLVRQ REEAAQALFA DATA SEQUENCE LNDVRTERLR DRITQWQLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.591 177.584 0.011 0.000 1.274 2 A CA 0.000 52.048 52.037 0.019 0.000 0.836 2 A CB 0.000 19.015 19.000 0.025 0.000 0.831 3 E N 0.902 121.125 120.200 0.038 0.000 2.072 3 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 3 E C 1.833 178.489 176.600 0.092 0.000 0.985 3 E CA 1.399 57.823 56.400 0.040 0.000 0.801 3 E CB -0.183 29.606 29.700 0.148 0.000 0.750 3 E HN 0.574 nan 8.360 nan 0.000 0.452 4 L N 1.118 122.415 121.223 0.125 0.000 2.109 4 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 4 L C 2.629 179.566 176.870 0.112 0.000 1.086 4 L CA 1.415 56.328 54.840 0.121 0.000 0.760 4 L CB -0.755 41.356 42.059 0.087 0.000 0.910 4 L HN 0.255 nan 8.230 nan 0.000 0.437 5 T N -0.788 113.810 114.554 0.074 0.000 2.746 5 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 5 T C 1.965 176.724 174.700 0.098 0.000 1.039 5 T CA 1.103 63.245 62.100 0.069 0.000 1.142 5 T CB -0.350 68.534 68.868 0.025 0.000 0.866 5 T HN 0.375 nan 8.240 nan 0.000 0.444 6 A N 0.916 123.767 122.820 0.052 0.000 2.014 6 A HA 0.200 4.520 4.320 -0.000 0.000 0.218 6 A C 2.187 179.825 177.584 0.089 0.000 1.163 6 A CA 0.686 52.734 52.037 0.019 0.000 0.652 6 A CB -0.673 18.281 19.000 -0.077 0.000 0.808 6 A HN 0.357 nan 8.150 nan 0.000 0.449 7 L N -1.136 120.164 121.223 0.128 0.000 2.217 7 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 7 L C 2.174 179.204 176.870 0.267 0.000 1.107 7 L CA 2.084 57.039 54.840 0.192 0.000 0.783 7 L CB -0.790 41.330 42.059 0.102 0.000 0.919 7 L HN 0.669 nan 8.230 nan 0.000 0.442 8 H N -1.788 117.369 119.070 0.145 0.000 2.395 8 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 8 H C 1.970 177.388 175.328 0.150 0.000 1.070 8 H CA 1.979 58.120 56.048 0.156 0.000 1.356 8 H CB 0.232 30.058 29.762 0.107 0.000 1.401 8 H HN 0.206 nan 8.280 nan 0.000 0.524 9 T N 0.956 115.631 114.554 0.202 0.000 2.777 9 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 9 T C 1.943 176.695 174.700 0.087 0.000 1.040 9 T CA 1.161 63.335 62.100 0.124 0.000 1.141 9 T CB -0.375 68.553 68.868 0.100 0.000 0.868 9 T HN 0.193 nan 8.240 nan 0.000 0.444 10 L N 1.358 122.664 121.223 0.137 0.000 2.131 10 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 10 L C 2.367 179.301 176.870 0.106 0.000 1.092 10 L CA 1.767 56.703 54.840 0.160 0.000 0.759 10 L CB -1.233 41.005 42.059 0.298 0.000 0.903 10 L HN 0.185 nan 8.230 nan 0.000 0.435 11 T N -0.242 114.407 114.554 0.159 0.000 2.788 11 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 11 T C 1.919 176.605 174.700 -0.023 0.000 1.044 11 T CA 1.256 63.410 62.100 0.090 0.000 1.139 11 T CB -0.484 68.521 68.868 0.227 0.000 0.867 11 T HN 0.529 nan 8.240 nan 0.000 0.454 12 A N 1.111 123.910 122.820 -0.036 0.000 1.898 12 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 12 A C 1.585 179.152 177.584 -0.028 0.000 1.181 12 A CA 0.841 52.856 52.037 -0.037 0.000 0.620 12 A CB -0.542 18.444 19.000 -0.022 0.000 0.819 12 A HN 0.580 nan 8.150 nan 0.000 0.442 16 R N 1.571 122.037 120.500 -0.056 0.000 2.090 16 R HA 0.000 4.340 4.340 -0.000 0.000 0.228 16 R C 0.781 177.060 176.300 -0.034 0.000 1.110 16 R CA 1.933 58.004 56.100 -0.048 0.000 0.973 16 R CB 0.082 30.363 30.300 -0.032 0.000 0.869 16 R HN 0.286 nan 8.270 nan 0.000 0.440 17 E N -0.875 119.297 120.200 -0.047 0.000 2.435 17 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 17 E C 0.667 177.221 176.600 -0.075 0.000 1.029 17 E CA 0.473 56.854 56.400 -0.032 0.000 0.865 17 E CB 0.331 29.988 29.700 -0.071 0.000 0.833 17 E HN 0.622 nan 8.360 nan 0.000 0.510 18 G N 2.195 110.889 108.800 -0.176 0.000 2.160 18 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 18 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 18 G C 0.246 174.729 174.900 -0.696 0.000 1.022 18 G CA 0.667 45.373 45.100 -0.656 0.000 0.741 18 G HN 0.395 nan 8.290 nan 0.000 0.508 19 I N -3.713 116.605 120.570 -0.420 0.000 3.133 19 I HA 1.027 5.197 4.170 -0.000 0.000 0.311 19 I C 0.055 175.926 176.117 -0.411 0.000 1.072 19 I CA -1.966 59.103 61.300 -0.384 0.000 1.015 19 I CB 1.543 39.350 38.000 -0.322 0.000 1.233 19 I HN -0.068 nan 8.210 nan 0.000 0.473 20 R N 1.107 121.341 120.500 -0.443 0.000 2.892 20 R HA 0.760 5.100 4.340 -0.000 0.000 0.265 20 R C -1.064 174.944 176.300 -0.486 0.000 1.025 20 R CA -0.787 55.033 56.100 -0.467 0.000 0.982 20 R CB 1.813 31.839 30.300 -0.458 0.000 1.185 20 R HN 0.616 nan 8.270 nan 0.000 0.484 21 R N 0.130 120.313 120.500 -0.530 0.000 2.774 21 R HA 0.506 4.846 4.340 -0.000 0.000 0.272 21 R C -1.613 174.632 176.300 -0.091 0.000 1.000 21 R CA -1.027 54.804 56.100 -0.448 0.000 0.906 21 R CB 1.665 31.479 30.300 -0.811 0.000 1.227 21 R HN 0.397 nan 8.270 nan 0.000 0.468 22 L N 3.187 124.460 121.223 0.083 0.000 2.275 22 L HA 0.472 4.812 4.340 -0.000 0.000 0.288 22 L C -1.462 175.664 176.870 0.428 0.000 1.046 22 L CA -0.390 54.600 54.840 0.251 0.000 0.805 22 L CB 1.367 43.536 42.059 0.184 0.000 1.193 22 L HN 0.390 nan 8.230 nan 0.000 0.426 23 L N 7.160 128.635 121.223 0.420 0.000 2.319 23 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 23 L C -1.169 175.809 176.870 0.180 0.000 1.005 23 L CA -0.473 54.531 54.840 0.273 0.000 0.828 23 L CB 1.682 43.751 42.059 0.016 0.000 1.227 23 L HN 0.398 nan 8.230 nan 0.000 0.415 24 V N 6.197 126.218 119.914 0.179 0.000 2.427 24 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 24 V C -0.271 175.880 176.094 0.096 0.000 1.034 24 V CA -0.667 61.716 62.300 0.139 0.000 0.893 24 V CB 1.908 33.844 31.823 0.188 0.000 0.982 24 V HN 0.507 nan 8.190 nan 0.000 0.452 25 L N 4.396 125.629 121.223 0.017 0.000 2.318 25 L HA 0.530 4.870 4.340 -0.000 0.000 0.277 25 L C 0.022 176.925 176.870 0.054 0.000 1.008 25 L CA 0.399 55.219 54.840 -0.034 0.000 0.846 25 L CB 1.435 43.350 42.059 -0.240 0.000 1.220 25 L HN 0.691 nan 8.230 nan 0.000 0.423 26 S N 2.398 118.186 115.700 0.146 0.000 2.552 26 S HA 0.951 5.421 4.470 -0.000 0.000 0.314 26 S C -0.181 174.419 174.600 -0.001 0.000 1.099 26 S CA 0.211 58.459 58.200 0.079 0.000 1.070 26 S CB 0.934 64.246 63.200 0.187 0.000 0.998 26 S HN 0.964 nan 8.310 nan 0.000 0.474 27 G N 3.382 112.182 108.800 -0.001 0.000 2.317 27 G HA2 0.278 4.238 3.960 -0.000 0.000 0.293 27 G HA3 0.278 4.238 3.960 -0.000 0.000 0.293 27 G C -1.740 173.170 174.900 0.018 0.000 1.287 27 G CA -0.882 44.131 45.100 -0.145 0.000 0.850 27 G HN 0.647 nan 8.290 nan 0.000 0.515 28 E N 0.246 120.451 120.200 0.008 0.000 2.436 28 E HA 0.203 4.553 4.350 -0.000 0.000 0.262 28 E C 1.363 178.048 176.600 0.141 0.000 1.063 28 E CA 0.656 57.099 56.400 0.073 0.000 0.944 28 E CB 1.054 30.795 29.700 0.068 0.000 0.950 28 E HN 0.711 nan 8.360 nan 0.000 0.444 29 E N 2.297 122.558 120.200 0.102 0.000 2.049 29 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 29 E C 1.876 178.567 176.600 0.151 0.000 1.007 29 E CA 1.753 58.212 56.400 0.099 0.000 0.809 29 E CB -0.704 29.051 29.700 0.091 0.000 0.749 29 E HN 0.621 nan 8.360 nan 0.000 0.450 30 G N -0.021 108.868 108.800 0.148 0.000 2.446 30 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 30 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 30 G C 1.340 176.368 174.900 0.214 0.000 1.168 30 G CA 0.816 46.015 45.100 0.165 0.000 0.771 30 G HN 0.491 nan 8.290 nan 0.000 0.551 31 W N 0.759 122.076 121.300 0.028 0.000 2.333 31 W HA -0.177 4.483 4.660 0.000 0.000 0.316 31 W C 2.684 179.195 176.519 -0.014 0.000 1.215 31 W CA 1.767 59.116 57.345 0.007 0.000 1.278 31 W CB -0.731 28.685 29.460 -0.073 0.000 1.154 31 W HN 0.231 nan 8.180 nan 0.000 0.486 32 C N -0.148 119.220 119.300 0.115 0.000 2.398 32 C HA -0.260 4.200 4.460 -0.000 0.000 0.276 32 C C 2.591 177.497 174.990 -0.139 0.000 1.222 32 C CA 1.337 60.277 59.018 -0.130 0.000 1.746 32 C CB -1.975 25.779 27.740 0.024 0.000 2.039 32 C HN 0.477 nan 8.230 nan 0.000 0.470 33 F N 1.861 121.759 119.950 -0.086 0.000 2.134 33 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 33 F C 2.305 178.024 175.800 -0.135 0.000 1.097 33 F CA 2.128 60.105 58.000 -0.039 0.000 1.264 33 F CB -0.452 38.553 39.000 0.008 0.000 1.001 33 F HN 0.152 nan 8.300 nan 0.000 0.479 34 E N -0.667 119.408 120.200 -0.209 0.000 2.153 34 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 34 E C 2.137 178.383 176.600 -0.590 0.000 0.988 34 E CA 1.536 57.716 56.400 -0.365 0.000 0.811 34 E CB -0.466 29.086 29.700 -0.247 0.000 0.746 34 E HN 0.543 nan 8.360 nan 0.000 0.466 35 H N -1.346 117.275 119.070 -0.749 0.000 2.502 35 H HA -0.016 4.540 4.556 -0.000 0.000 0.283 35 H C 1.984 176.893 175.328 -0.699 0.000 1.015 35 H CA 1.604 57.137 56.048 -0.859 0.000 1.298 35 H CB 0.163 29.140 29.762 -1.308 0.000 1.411 35 H HN 0.360 nan 8.280 nan 0.000 0.556 36 T N -0.947 113.278 114.554 -0.548 0.000 2.942 36 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 36 T C 2.114 176.431 174.700 -0.639 0.000 1.062 36 T CA 0.300 62.072 62.100 -0.546 0.000 1.139 36 T CB -0.372 68.305 68.868 -0.318 0.000 0.883 36 T HN -0.014 nan 8.240 nan 0.000 0.468 37 L N 1.279 122.096 121.223 -0.677 0.000 2.027 37 L HA 0.142 4.481 4.340 -0.000 0.000 0.206 37 L C 2.658 179.253 176.870 -0.458 0.000 1.074 37 L CA 1.698 56.195 54.840 -0.571 0.000 0.745 37 L CB -0.554 41.174 42.059 -0.552 0.000 0.898 37 L HN 0.249 nan 8.230 nan 0.000 0.433 38 K N -0.967 119.157 120.400 -0.460 0.000 2.148 38 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 38 K C 2.075 178.482 176.600 -0.322 0.000 1.050 38 K CA 1.010 57.079 56.287 -0.363 0.000 0.942 38 K CB -0.218 32.037 32.500 -0.409 0.000 0.724 38 K HN 0.276 nan 8.250 nan 0.000 0.446 39 L N 1.081 122.052 121.223 -0.420 0.000 2.156 39 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 39 L C 2.693 179.287 176.870 -0.460 0.000 1.095 39 L CA 1.057 55.666 54.840 -0.385 0.000 0.770 39 L CB -0.309 41.472 42.059 -0.464 0.000 0.914 39 L HN 0.221 nan 8.230 nan 0.000 0.439 40 R N 0.333 120.368 120.500 -0.776 0.000 2.073 40 R HA -0.145 4.195 4.340 -0.000 0.000 0.229 40 R C 1.603 177.790 176.300 -0.189 0.000 1.120 40 R CA 1.665 57.263 56.100 -0.836 0.000 0.967 40 R CB -0.660 29.008 30.300 -1.054 0.000 0.862 40 R HN 0.346 nan 8.270 nan 0.000 0.436 41 D N 0.972 121.268 120.400 -0.174 0.000 2.317 41 D HA -0.013 4.627 4.640 -0.000 0.000 0.211 41 D C 1.700 178.011 176.300 0.018 0.000 0.966 41 D CA 1.011 54.982 54.000 -0.050 0.000 0.876 41 D CB 0.053 40.803 40.800 -0.082 0.000 0.927 41 D HN 0.405 nan 8.370 nan 0.000 0.519 42 A N 0.108 122.934 122.820 0.011 0.000 1.935 42 A HA 0.166 4.486 4.320 -0.000 0.000 0.214 42 A C 0.703 178.433 177.584 0.243 0.000 1.178 42 A CA 0.425 52.512 52.037 0.085 0.000 0.640 42 A CB 0.010 19.038 19.000 0.047 0.000 0.825 42 A HN 0.181 nan 8.150 nan 0.000 0.447 43 L N 1.561 122.947 121.223 0.273 0.000 2.408 43 L HA 0.341 4.681 4.340 -0.000 0.000 0.257 43 L C -2.730 174.474 176.870 0.556 0.000 1.053 43 L CA -2.615 52.464 54.840 0.397 0.000 0.922 43 L CB 0.344 42.594 42.059 0.319 0.000 1.261 43 L HN 0.095 nan 8.230 nan 0.000 0.458 44 P HA 0.399 nan 4.420 nan 0.000 0.268 44 P C 0.123 177.682 177.300 0.431 0.000 1.205 44 P CA 0.425 63.771 63.100 0.411 0.000 0.771 44 P CB 2.221 34.075 31.700 0.257 0.000 0.858 45 G N 1.774 110.837 108.800 0.438 0.000 2.428 45 G HA2 0.084 4.044 3.960 -0.000 0.000 0.305 45 G HA3 0.084 4.044 3.960 -0.000 0.000 0.305 45 G C -0.160 174.900 174.900 0.266 0.000 1.260 45 G CA -0.385 44.847 45.100 0.221 0.000 0.853 45 G HN 0.331 nan 8.290 nan 0.000 0.480 46 D N -0.982 119.508 120.400 0.150 0.000 2.162 46 D HA -0.017 4.623 4.640 -0.000 0.000 0.203 46 D C 0.339 176.861 176.300 0.371 0.000 0.967 46 D CA 0.775 54.925 54.000 0.251 0.000 0.840 46 D CB 0.062 41.031 40.800 0.281 0.000 0.972 46 D HN 0.483 nan 8.370 nan 0.000 0.482 47 W N 1.289 122.727 121.300 0.230 0.000 6.544 47 W HA -0.198 4.462 4.660 0.000 0.000 0.423 47 W C 0.017 176.653 176.519 0.194 0.000 1.688 47 W CA -0.610 56.862 57.345 0.213 0.000 1.082 47 W CB -1.727 27.864 29.460 0.219 0.000 2.917 47 W HN 0.019 nan 8.180 nan 0.000 1.481 48 L N 1.141 122.478 121.223 0.191 0.000 2.490 48 L HA 0.272 4.612 4.340 -0.000 0.000 0.274 48 L C 0.092 177.057 176.870 0.159 0.000 1.201 48 L CA -0.071 54.781 54.840 0.020 0.000 0.869 48 L CB 0.148 41.877 42.059 -0.549 0.000 1.123 48 L HN 0.128 nan 8.230 nan 0.000 0.484 49 W N 6.453 127.743 121.300 -0.017 0.000 2.478 49 W HA 0.530 5.190 4.660 -0.000 0.000 0.318 49 W C -0.557 175.921 176.519 -0.068 0.000 1.062 49 W CA -0.437 56.907 57.345 -0.000 0.000 1.210 49 W CB 1.560 31.032 29.460 0.021 0.000 1.325 49 W HN 0.499 nan 8.180 nan 0.000 0.496 50 I N 3.623 124.197 120.570 0.007 0.000 2.466 50 I HA 0.745 4.915 4.170 -0.000 0.000 0.289 50 I C -0.627 175.335 176.117 -0.258 0.000 1.026 50 I CA -0.541 60.711 61.300 -0.081 0.000 1.078 50 I CB 1.263 39.223 38.000 -0.066 0.000 1.249 50 I HN 0.233 nan 8.210 nan 0.000 0.429 51 S N 4.997 120.609 115.700 -0.148 0.000 2.595 51 S HA 0.819 5.289 4.470 -0.000 0.000 0.281 51 S C -2.858 171.672 174.600 -0.115 0.000 1.117 51 S CA -1.214 56.878 58.200 -0.179 0.000 0.873 51 S CB 0.861 64.064 63.200 0.006 0.000 1.108 51 S HN 0.566 nan 8.310 nan 0.000 0.477 52 P HA 0.568 nan 4.420 nan 0.000 0.276 52 P C -0.420 176.884 177.300 0.007 0.000 1.230 52 P CA -0.244 62.841 63.100 -0.025 0.000 0.776 52 P CB 0.296 31.997 31.700 0.001 0.000 0.888 53 R N 1.420 121.931 120.500 0.019 0.000 2.825 53 R HA 0.261 4.601 4.340 -0.000 0.000 0.274 53 R C -2.306 174.009 176.300 0.025 0.000 1.026 53 R CA -0.967 55.144 56.100 0.019 0.000 0.867 53 R CB -0.006 30.302 30.300 0.013 0.000 1.268 53 R HN 0.393 nan 8.270 nan 0.000 0.491 67 T N 0.952 115.583 114.554 0.129 0.000 3.223 67 T HA 0.093 4.443 4.350 -0.000 0.000 0.259 67 T C 0.483 175.341 174.700 0.263 0.000 1.015 67 T CA -0.140 62.102 62.100 0.237 0.000 0.908 67 T CB -0.183 68.962 68.868 0.462 0.000 1.054 67 T HN 0.350 nan 8.240 nan 0.000 0.567 68 L N 1.179 122.516 121.223 0.191 0.000 2.650 68 L HA 0.434 4.774 4.340 -0.000 0.000 0.239 68 L C 0.313 177.270 176.870 0.144 0.000 1.412 68 L CA -0.268 54.687 54.840 0.192 0.000 1.219 68 L CB -2.507 39.659 42.059 0.178 0.000 1.534 68 L HN 0.130 nan 8.230 nan 0.000 0.430 69 L N -0.298 120.999 121.223 0.123 0.000 2.788 69 L HA 0.575 4.915 4.340 -0.000 0.000 0.151 69 L C 1.678 178.582 176.870 0.057 0.000 1.548 69 L CA 0.001 54.884 54.840 0.073 0.000 2.184 69 L CB -1.083 41.008 42.059 0.053 0.000 2.730 69 L HN 0.221 nan 8.230 nan 0.000 0.588 70 G N -0.718 108.093 108.800 0.018 0.000 3.327 70 G HA2 0.155 4.115 3.960 -0.000 0.000 0.240 70 G HA3 0.155 4.115 3.960 -0.000 0.000 0.240 70 G C 0.459 175.341 174.900 -0.031 0.000 1.222 70 G CA -0.403 44.701 45.100 0.006 0.000 0.871 70 G HN 0.266 nan 8.290 nan 0.000 0.525 71 R N 0.750 121.226 120.500 -0.040 0.000 2.490 71 R HA 0.388 4.728 4.340 -0.000 0.000 0.280 71 R C -0.326 175.809 176.300 -0.275 0.000 1.077 71 R CA 0.029 55.994 56.100 -0.225 0.000 1.065 71 R CB 0.731 30.853 30.300 -0.297 0.000 1.003 71 R HN 0.442 nan 8.270 nan 0.000 0.470 72 E N 2.169 122.085 120.200 -0.474 0.000 2.256 72 E HA 0.485 4.835 4.350 -0.000 0.000 0.267 72 E C -1.103 175.128 176.600 -0.615 0.000 0.892 72 E CA -0.693 55.525 56.400 -0.304 0.000 0.775 72 E CB 1.653 31.282 29.700 -0.118 0.000 1.207 72 E HN 0.235 nan 8.360 nan 0.000 0.420 73 F N 0.186 120.122 119.950 -0.024 0.000 2.599 73 F HA 0.461 4.988 4.527 0.000 0.000 0.311 73 F C -0.086 175.635 175.800 -0.132 0.000 1.076 73 F CA -1.118 56.852 58.000 -0.051 0.000 0.937 73 F CB 2.029 41.014 39.000 -0.026 0.000 1.282 73 F HN 0.291 nan 8.300 nan 0.000 0.460 74 R N 2.006 122.505 120.500 -0.003 0.000 2.215 74 R HA 0.444 4.784 4.340 -0.000 0.000 0.336 74 R C -1.289 174.766 176.300 -0.409 0.000 0.996 74 R CA -0.165 55.762 56.100 -0.288 0.000 0.847 74 R CB -0.073 30.034 30.300 -0.322 0.000 1.127 74 R HN 0.748 nan 8.270 nan 0.000 0.465 75 H N 0.079 118.933 119.070 -0.359 0.000 4.566 75 H HA -0.165 4.391 4.556 0.000 0.000 0.268 75 H C -1.438 173.546 175.328 -0.573 0.000 0.581 75 H CA 0.495 56.090 56.048 -0.755 0.000 0.726 75 H CB -0.970 27.784 29.762 -1.679 0.000 1.030 75 H HN 0.870 nan 8.280 nan 0.000 0.310 76 A N 1.919 124.562 122.820 -0.295 0.000 2.610 76 A HA 0.717 5.037 4.320 -0.000 0.000 0.291 76 A C -0.965 176.670 177.584 0.086 0.000 1.086 76 A CA -0.153 51.864 52.037 -0.033 0.000 0.677 76 A CB 2.035 20.986 19.000 -0.080 0.000 1.278 76 A HN 0.453 nan 8.150 nan 0.000 0.414 77 V N 0.778 120.672 119.914 -0.034 0.000 2.540 77 V HA 0.560 4.680 4.120 -0.000 0.000 0.302 77 V C -1.286 174.619 176.094 -0.316 0.000 1.035 77 V CA -0.243 61.875 62.300 -0.304 0.000 0.873 77 V CB 1.466 32.647 31.823 -1.069 0.000 0.992 77 V HN 0.793 nan 8.190 nan 0.000 0.428 78 F N 3.869 123.637 119.950 -0.303 0.000 2.375 78 F HA 0.499 5.026 4.527 -0.000 0.000 0.361 78 F C 0.055 175.689 175.800 -0.275 0.000 1.117 78 F CA -0.673 57.196 58.000 -0.218 0.000 1.037 78 F CB 1.142 40.122 39.000 -0.034 0.000 1.192 78 F HN 0.530 nan 8.300 nan 0.000 0.452 79 D N 5.242 125.277 120.400 -0.608 0.000 2.422 79 D HA 0.329 4.969 4.640 -0.000 0.000 0.227 79 D C -0.011 176.061 176.300 -0.382 0.000 1.190 79 D CA 0.159 53.912 54.000 -0.411 0.000 0.905 79 D CB 1.021 41.675 40.800 -0.243 0.000 1.034 79 D HN 0.587 nan 8.370 nan 0.000 0.507 80 A N 4.469 127.171 122.820 -0.196 0.000 2.713 80 A HA 0.191 4.511 4.320 -0.000 0.000 0.296 80 A C 1.641 179.179 177.584 -0.076 0.000 1.255 80 A CA -0.413 51.580 52.037 -0.073 0.000 0.955 80 A CB 0.037 19.064 19.000 0.046 0.000 1.149 80 A HN 0.508 nan 8.150 nan 0.000 0.538 81 R N -0.893 119.484 120.500 -0.205 0.000 2.189 81 R HA -0.008 4.332 4.340 -0.000 0.000 0.218 81 R C 0.447 176.467 176.300 -0.467 0.000 1.074 81 R CA 1.354 57.227 56.100 -0.377 0.000 0.991 81 R CB -0.057 29.926 30.300 -0.528 0.000 0.883 81 R HN 0.789 nan 8.270 nan 0.000 0.457 82 H N -1.926 117.174 119.070 0.050 0.000 3.230 82 H HA 0.340 4.896 4.556 -0.000 0.000 0.259 82 H C -0.051 175.337 175.328 0.101 0.000 1.195 82 H CA -0.199 55.890 56.048 0.068 0.000 1.112 82 H CB 1.849 31.633 29.762 0.037 0.000 1.638 82 H HN 0.185 nan 8.280 nan 0.000 0.624 83 G N 0.295 109.221 108.800 0.210 0.000 2.473 83 G HA2 0.298 4.258 3.960 -0.000 0.000 0.298 83 G HA3 0.298 4.258 3.960 -0.000 0.000 0.298 83 G C -2.239 172.849 174.900 0.312 0.000 1.575 83 G CA -0.756 44.493 45.100 0.247 0.000 0.846 83 G HN 0.035 nan 8.290 nan 0.000 0.585 84 F N 2.566 122.685 119.950 0.282 0.000 2.430 84 F HA 0.457 4.984 4.527 -0.000 0.000 0.362 84 F C -0.425 175.569 175.800 0.323 0.000 1.103 84 F CA -1.450 56.767 58.000 0.362 0.000 1.045 84 F CB 1.816 41.076 39.000 0.434 0.000 1.276 84 F HN 0.351 nan 8.300 nan 0.000 0.444 85 D N 4.847 125.533 120.400 0.476 0.000 2.453 85 D HA 0.268 4.908 4.640 -0.000 0.000 0.223 85 D C 1.073 177.665 176.300 0.487 0.000 1.183 85 D CA 0.275 54.537 54.000 0.437 0.000 0.933 85 D CB 1.367 42.358 40.800 0.318 0.000 1.038 85 D HN 0.641 nan 8.370 nan 0.000 0.513 86 A N 4.021 127.128 122.820 0.479 0.000 1.917 86 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 86 A C 2.152 179.941 177.584 0.341 0.000 1.182 86 A CA 1.962 54.268 52.037 0.449 0.000 0.633 86 A CB -0.536 18.559 19.000 0.157 0.000 0.819 86 A HN 0.616 nan 8.150 nan 0.000 0.448 87 A N -0.234 122.735 122.820 0.249 0.000 1.877 87 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 87 A C 2.542 180.144 177.584 0.031 0.000 1.186 87 A CA 2.236 54.375 52.037 0.171 0.000 0.620 87 A CB -1.108 17.997 19.000 0.176 0.000 0.822 87 A HN 1.127 nan 8.150 nan 0.000 0.443 88 A N -1.164 121.740 122.820 0.141 0.000 1.902 88 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 88 A C 2.047 179.708 177.584 0.129 0.000 1.181 88 A CA 1.683 53.810 52.037 0.150 0.000 0.623 88 A CB -0.761 18.421 19.000 0.304 0.000 0.818 88 A HN 0.675 nan 8.150 nan 0.000 0.443 89 F N 1.082 120.960 119.950 -0.120 0.000 2.046 89 F HA -0.157 4.370 4.527 0.000 0.000 0.297 89 F C 2.581 178.218 175.800 -0.271 0.000 1.123 89 F CA 1.493 59.112 58.000 -0.635 0.000 1.199 89 F CB -0.697 37.845 39.000 -0.763 0.000 0.972 89 F HN 0.251 nan 8.300 nan 0.000 0.474 90 A N 0.378 123.153 122.820 -0.075 0.000 1.908 90 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 90 A C 2.424 179.837 177.584 -0.285 0.000 1.181 90 A CA 2.162 54.158 52.037 -0.068 0.000 0.627 90 A CB -1.665 17.531 19.000 0.327 0.000 0.818 90 A HN 0.577 nan 8.150 nan 0.000 0.445 91 A N -0.492 121.955 122.820 -0.621 0.000 1.877 91 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 91 A C 2.150 179.599 177.584 -0.225 0.000 1.186 91 A CA 1.805 53.422 52.037 -0.699 0.000 0.620 91 A CB -0.700 17.870 19.000 -0.716 0.000 0.822 91 A HN 0.767 nan 8.150 nan 0.000 0.443 92 L N 1.044 122.141 121.223 -0.210 0.000 1.989 92 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 92 L C 2.794 179.547 176.870 -0.196 0.000 1.071 92 L CA 3.052 57.802 54.840 -0.151 0.000 0.749 92 L CB -0.901 41.086 42.059 -0.121 0.000 0.890 92 L HN 0.545 nan 8.230 nan 0.000 0.431 93 S N -0.841 114.646 115.700 -0.356 0.000 2.374 93 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 93 S C 2.006 176.430 174.600 -0.294 0.000 1.037 93 S CA 1.072 59.044 58.200 -0.381 0.000 1.024 93 S CB -1.820 61.084 63.200 -0.493 0.000 0.861 93 S HN 0.528 nan 8.310 nan 0.000 0.456 94 G N -0.427 108.298 108.800 -0.126 0.000 2.776 94 G HA2 0.112 4.072 3.960 -0.000 0.000 0.209 94 G HA3 0.112 4.072 3.960 -0.000 0.000 0.209 94 G C 1.079 176.086 174.900 0.178 0.000 1.145 94 G CA 0.845 45.974 45.100 0.048 0.000 0.791 94 G HN 0.558 nan 8.290 nan 0.000 0.530 95 T N 0.108 114.714 114.554 0.087 0.000 3.044 95 T HA 0.304 4.654 4.350 -0.000 0.000 0.260 95 T C 0.177 174.970 174.700 0.154 0.000 1.019 95 T CA -0.427 61.779 62.100 0.177 0.000 0.921 95 T CB -0.051 68.960 68.868 0.238 0.000 1.053 95 T HN -0.087 nan 8.240 nan 0.000 0.533 96 L N 3.219 124.454 121.223 0.020 0.000 2.319 96 L HA 0.412 4.752 4.340 -0.000 0.000 0.280 96 L C 0.502 177.347 176.870 -0.041 0.000 1.099 96 L CA -0.127 54.694 54.840 -0.033 0.000 0.828 96 L CB 0.828 42.797 42.059 -0.150 0.000 1.150 96 L HN 0.044 nan 8.230 nan 0.000 0.442 97 K N 1.899 122.273 120.400 -0.042 0.000 2.336 97 K HA 0.362 4.682 4.320 -0.000 0.000 0.262 97 K C 0.213 176.738 176.600 -0.124 0.000 0.992 97 K CA -0.345 55.916 56.287 -0.044 0.000 0.927 97 K CB 0.322 32.780 32.500 -0.069 0.000 0.956 97 K HN 0.744 nan 8.250 nan 0.000 0.495 98 A N 0.913 123.663 122.820 -0.117 0.000 2.531 98 A HA 0.340 4.660 4.320 -0.000 0.000 0.236 98 A C 1.264 178.715 177.584 -0.222 0.000 1.062 98 A CA 0.743 52.636 52.037 -0.240 0.000 0.760 98 A CB -0.697 18.089 19.000 -0.357 0.000 0.995 98 A HN 0.922 nan 8.150 nan 0.000 0.501 99 G N 1.377 110.011 108.800 -0.276 0.000 2.176 99 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.253 99 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.253 99 G C 0.537 175.283 174.900 -0.257 0.000 0.979 99 G CA 0.436 45.384 45.100 -0.253 0.000 0.641 99 G HN 1.157 nan 8.290 nan 0.000 0.530 100 S N -0.541 114.983 115.700 -0.293 0.000 2.592 100 S HA 0.580 5.050 4.470 -0.000 0.000 0.271 100 S C -0.208 174.318 174.600 -0.124 0.000 1.326 100 S CA -0.104 57.978 58.200 -0.197 0.000 1.024 100 S CB 0.774 63.839 63.200 -0.225 0.000 0.921 100 S HN 0.347 nan 8.310 nan 0.000 0.527 101 W N 1.733 123.117 121.300 0.140 0.000 2.570 101 W HA 0.536 5.196 4.660 0.000 0.000 0.337 101 W C -0.521 175.933 176.519 -0.108 0.000 1.067 101 W CA -0.633 56.681 57.345 -0.050 0.000 1.229 101 W CB 0.906 30.286 29.460 -0.133 0.000 1.355 101 W HN 0.250 nan 8.180 nan 0.000 0.555 102 L N 5.059 126.414 121.223 0.220 0.000 2.295 102 L HA 0.470 4.810 4.340 -0.000 0.000 0.281 102 L C -1.028 175.961 176.870 0.199 0.000 1.018 102 L CA -0.682 54.219 54.840 0.102 0.000 0.841 102 L CB 0.664 42.709 42.059 -0.023 0.000 1.218 102 L HN 0.154 nan 8.230 nan 0.000 0.424 103 V N 6.551 126.574 119.914 0.182 0.000 2.353 103 V HA 0.172 4.292 4.120 -0.000 0.000 0.264 103 V C 0.207 176.351 176.094 0.083 0.000 1.049 103 V CA -0.529 61.858 62.300 0.146 0.000 0.896 103 V CB 1.339 33.267 31.823 0.174 0.000 1.025 103 V HN 0.565 nan 8.190 nan 0.000 0.475 104 L N 7.712 129.008 121.223 0.121 0.000 2.260 104 L HA 0.502 4.842 4.340 -0.000 0.000 0.289 104 L C -0.344 176.531 176.870 0.008 0.000 1.057 104 L CA 0.271 55.189 54.840 0.129 0.000 0.811 104 L CB 0.751 42.929 42.059 0.198 0.000 1.184 104 L HN 0.467 nan 8.230 nan 0.000 0.429 105 L N 6.702 127.893 121.223 -0.054 0.000 2.289 105 L HA 0.533 4.873 4.340 -0.000 0.000 0.285 105 L C -0.440 176.344 176.870 -0.144 0.000 1.049 105 L CA -0.399 54.371 54.840 -0.116 0.000 0.804 105 L CB 1.040 43.002 42.059 -0.162 0.000 1.195 105 L HN 0.587 nan 8.230 nan 0.000 0.428 106 L N 3.931 125.031 121.223 -0.205 0.000 2.303 106 L HA 0.660 5.000 4.340 -0.000 0.000 0.256 106 L C -2.334 174.353 176.870 -0.306 0.000 1.034 106 L CA -1.869 52.736 54.840 -0.392 0.000 0.832 106 L CB 2.713 44.286 42.059 -0.808 0.000 1.403 106 L HN 0.372 nan 8.230 nan 0.000 0.419 107 P HA 0.124 nan 4.420 nan 0.000 0.289 107 P C -0.599 176.652 177.300 -0.081 0.000 1.299 107 P CA -0.389 62.624 63.100 -0.144 0.000 0.766 107 P CB 0.651 32.323 31.700 -0.047 0.000 1.226 108 V N 1.576 121.494 119.914 0.007 0.000 2.557 108 V HA -0.134 3.986 4.120 -0.000 0.000 0.301 108 V C 1.985 178.173 176.094 0.157 0.000 1.026 108 V CA 0.299 62.631 62.300 0.052 0.000 1.137 108 V CB -0.644 31.206 31.823 0.045 0.000 0.917 108 V HN 0.702 nan 8.190 nan 0.000 0.484 109 W N 3.480 124.768 121.300 -0.019 0.000 2.305 109 W HA -0.216 4.444 4.660 -0.000 0.000 0.308 109 W C 1.632 178.242 176.519 0.151 0.000 1.226 109 W CA 2.213 59.612 57.345 0.089 0.000 1.253 109 W CB 0.131 29.621 29.460 0.051 0.000 1.146 109 W HN 0.725 nan 8.180 nan 0.000 0.507 110 E N -0.259 120.129 120.200 0.313 0.000 2.482 110 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 110 E C 1.299 177.966 176.600 0.112 0.000 1.047 110 E CA 0.927 57.439 56.400 0.187 0.000 0.869 110 E CB -0.251 29.544 29.700 0.158 0.000 0.836 110 E HN 0.445 nan 8.360 nan 0.000 0.520 111 E N -1.348 118.929 120.200 0.128 0.000 2.562 111 E HA -0.002 4.348 4.350 -0.000 0.000 0.214 111 E C 0.758 177.455 176.600 0.162 0.000 0.979 111 E CA -0.373 56.093 56.400 0.109 0.000 1.002 111 E CB 0.048 29.804 29.700 0.094 0.000 1.048 111 E HN 0.209 nan 8.360 nan 0.000 0.488 112 W N 2.933 124.187 121.300 -0.077 0.000 2.333 112 W HA -0.161 4.499 4.660 -0.000 0.000 0.316 112 W C 1.522 177.980 176.519 -0.102 0.000 1.215 112 W CA 1.668 58.949 57.345 -0.107 0.000 1.278 112 W CB -0.350 28.966 29.460 -0.239 0.000 1.154 112 W HN 0.046 nan 8.180 nan 0.000 0.486 113 E N -0.733 119.412 120.200 -0.091 0.000 2.130 113 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 113 E C 1.537 178.080 176.600 -0.096 0.000 0.998 113 E CA 1.652 57.922 56.400 -0.217 0.000 0.806 113 E CB -0.508 29.058 29.700 -0.223 0.000 0.738 113 E HN 0.501 nan 8.360 nan 0.000 0.459 114 N N -0.037 118.653 118.700 -0.017 0.000 2.236 114 N HA -0.013 4.727 4.740 -0.000 0.000 0.196 114 N C 0.022 175.556 175.510 0.041 0.000 1.114 114 N CA -0.251 52.800 53.050 0.000 0.000 0.859 114 N CB 0.482 38.971 38.487 0.002 0.000 0.982 114 N HN 0.042 nan 8.380 nan 0.000 0.493 115 Q N 2.192 122.045 119.800 0.089 0.000 2.288 115 Q HA 0.217 4.557 4.340 -0.000 0.000 0.258 115 Q C -2.494 173.578 176.000 0.121 0.000 0.957 115 Q CA -1.946 53.929 55.803 0.120 0.000 0.919 115 Q CB 0.831 29.675 28.738 0.177 0.000 1.185 115 Q HN -0.060 nan 8.270 nan 0.000 0.408 116 P HA -0.098 nan 4.420 nan 0.000 0.265 116 P C -1.217 176.152 177.300 0.114 0.000 1.187 116 P CA 0.296 63.439 63.100 0.071 0.000 0.766 116 P CB 0.467 32.190 31.700 0.038 0.000 0.820 117 D N 2.077 122.537 120.400 0.100 0.000 2.392 117 D HA 0.253 4.893 4.640 -0.000 0.000 0.228 117 D C 0.963 177.305 176.300 0.069 0.000 1.074 117 D CA -0.422 53.666 54.000 0.146 0.000 0.838 117 D CB 1.335 42.256 40.800 0.203 0.000 1.067 117 D HN 0.249 nan 8.370 nan 0.000 0.511 118 A N 4.128 127.002 122.820 0.090 0.000 1.940 118 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 118 A C 1.793 179.381 177.584 0.008 0.000 1.176 118 A CA 1.802 53.862 52.037 0.038 0.000 0.631 118 A CB -0.317 18.720 19.000 0.061 0.000 0.814 118 A HN 0.757 nan 8.150 nan 0.000 0.446 119 D N 0.641 121.085 120.400 0.072 0.000 2.218 119 D HA -0.177 4.463 4.640 -0.000 0.000 0.204 119 D C 1.922 178.153 176.300 -0.115 0.000 0.976 119 D CA 1.802 55.850 54.000 0.081 0.000 0.853 119 D CB -0.417 40.533 40.800 0.251 0.000 0.939 119 D HN 0.509 nan 8.370 nan 0.000 0.481 120 S N 0.436 115.975 115.700 -0.268 0.000 2.423 120 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 120 S C 2.175 176.157 174.600 -1.029 0.000 1.028 120 S CA 0.517 58.116 58.200 -1.002 0.000 1.000 120 S CB -0.628 62.167 63.200 -0.676 0.000 0.797 120 S HN 0.224 nan 8.310 nan 0.000 0.487 121 L N 2.020 122.961 121.223 -0.470 0.000 2.079 121 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 121 L C 2.766 179.479 176.870 -0.262 0.000 1.081 121 L CA 1.775 56.432 54.840 -0.305 0.000 0.752 121 L CB -1.295 40.675 42.059 -0.149 0.000 0.896 121 L HN 0.495 nan 8.230 nan 0.000 0.433 122 R N -0.883 119.485 120.500 -0.220 0.000 2.241 122 R HA -0.162 4.178 4.340 -0.000 0.000 0.224 122 R C 1.420 177.771 176.300 0.084 0.000 1.101 122 R CA 1.358 57.446 56.100 -0.019 0.000 0.995 122 R CB -0.142 30.235 30.300 0.129 0.000 0.870 122 R HN 0.637 nan 8.270 nan 0.000 0.463 123 W N -1.582 119.746 121.300 0.047 0.000 1.807 123 W HA 0.239 4.899 4.660 -0.000 0.000 0.251 123 W C 0.686 177.237 176.519 0.053 0.000 0.848 123 W CA 0.268 57.644 57.345 0.051 0.000 1.157 123 W CB -0.556 28.935 29.460 0.051 0.000 0.992 123 W HN -0.014 nan 8.180 nan 0.000 0.506 124 S N -0.018 115.555 115.700 -0.212 0.000 2.503 124 S HA -0.004 4.466 4.470 -0.000 0.000 0.217 124 S C 0.655 175.261 174.600 0.009 0.000 0.999 124 S CA 0.892 59.037 58.200 -0.092 0.000 0.914 124 S CB -0.429 62.530 63.200 -0.401 0.000 0.782 124 S HN 0.106 nan 8.310 nan 0.000 0.520 125 D N 0.223 120.617 120.400 -0.009 0.000 2.945 125 D HA -0.125 4.515 4.640 -0.000 0.000 0.225 125 D C -0.622 175.678 176.300 -0.000 0.000 1.158 125 D CA 0.793 54.804 54.000 0.019 0.000 0.805 125 D CB -2.102 38.735 40.800 0.061 0.000 1.098 125 D HN 0.466 nan 8.370 nan 0.000 0.426 126 C N 0.235 119.509 119.300 -0.044 0.000 2.470 126 C HA 0.417 4.877 4.460 -0.000 0.000 0.341 126 C C -0.293 174.670 174.990 -0.046 0.000 1.190 126 C CA -1.126 57.868 59.018 -0.040 0.000 1.904 126 C CB 1.568 29.270 27.740 -0.064 0.000 2.354 126 C HN 0.162 nan 8.230 nan 0.000 0.509 127 P HA 0.025 nan 4.420 nan 0.000 0.222 127 P C -0.181 177.097 177.300 -0.037 0.000 1.153 127 P CA 1.474 64.560 63.100 -0.023 0.000 0.798 127 P CB 0.469 32.165 31.700 -0.007 0.000 0.796 128 D N -0.406 119.966 120.400 -0.046 0.000 2.523 128 D HA 0.351 4.991 4.640 -0.000 0.000 0.236 128 D C -2.762 173.493 176.300 -0.075 0.000 1.094 128 D CA -1.778 52.191 54.000 -0.051 0.000 0.942 128 D CB 1.723 42.502 40.800 -0.034 0.000 1.447 128 D HN -0.138 nan 8.370 nan 0.000 0.479 129 P HA 0.098 nan 4.420 nan 0.000 0.266 129 P C -0.559 176.701 177.300 -0.067 0.000 1.195 129 P CA 0.273 63.324 63.100 -0.082 0.000 0.768 129 P CB 0.411 32.086 31.700 -0.042 0.000 0.838 130 I N -1.109 119.409 120.570 -0.087 0.000 2.846 130 I HA 0.830 5.000 4.170 -0.000 0.000 0.307 130 I C -0.376 175.738 176.117 -0.005 0.000 1.053 130 I CA -1.660 59.612 61.300 -0.047 0.000 1.050 130 I CB 2.274 40.239 38.000 -0.058 0.000 1.239 130 I HN 0.198 nan 8.210 nan 0.000 0.439 131 A N 2.369 125.195 122.820 0.010 0.000 2.332 131 A HA 0.602 4.922 4.320 -0.000 0.000 0.258 131 A C 0.430 178.032 177.584 0.030 0.000 1.087 131 A CA 0.195 52.246 52.037 0.024 0.000 0.802 131 A CB 0.169 19.167 19.000 -0.003 0.000 1.042 131 A HN 0.931 nan 8.150 nan 0.000 0.489 132 T N -1.030 113.545 114.554 0.034 0.000 3.542 132 T HA 0.449 4.799 4.350 -0.000 0.000 0.276 132 T C -1.975 172.673 174.700 -0.086 0.000 1.412 132 T CA -0.942 61.181 62.100 0.039 0.000 1.664 132 T CB 1.105 70.079 68.868 0.177 0.000 0.863 132 T HN 0.428 nan 8.240 nan 0.000 0.661 133 P HA -0.157 nan 4.420 nan 0.000 0.217 133 P C 1.165 178.301 177.300 -0.274 0.000 1.150 133 P CA 1.225 64.155 63.100 -0.283 0.000 0.832 133 P CB 0.050 31.574 31.700 -0.292 0.000 0.787 134 H N -1.181 117.799 119.070 -0.150 0.000 2.352 134 H HA -0.105 4.451 4.556 0.000 0.000 0.299 134 H C 1.990 177.152 175.328 -0.277 0.000 1.097 134 H CA 1.010 56.939 56.048 -0.198 0.000 1.311 134 H CB -1.276 28.321 29.762 -0.275 0.000 1.377 134 H HN 0.116 nan 8.280 nan 0.000 0.504 135 F N 1.379 121.125 119.950 -0.340 0.000 2.102 135 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 135 F C 2.363 177.871 175.800 -0.488 0.000 1.105 135 F CA 0.865 58.606 58.000 -0.433 0.000 1.239 135 F CB -0.709 38.038 39.000 -0.422 0.000 0.991 135 F HN -0.127 nan 8.300 nan 0.000 0.474 136 V N 0.533 120.035 119.914 -0.686 0.000 2.295 136 V HA -0.352 3.768 4.120 -0.000 0.000 0.246 136 V C 2.376 177.930 176.094 -0.901 0.000 1.049 136 V CA 2.285 63.869 62.300 -1.193 0.000 1.024 136 V CB -0.966 30.064 31.823 -1.321 0.000 0.648 136 V HN 0.381 nan 8.190 nan 0.000 0.447 137 Q N -0.605 118.878 119.800 -0.528 0.000 2.045 137 Q HA -0.319 4.021 4.340 -0.000 0.000 0.206 137 Q C 2.255 178.080 176.000 -0.293 0.000 0.991 137 Q CA 2.486 58.093 55.803 -0.327 0.000 0.851 137 Q CB -0.412 28.249 28.738 -0.128 0.000 0.911 137 Q HN 0.825 nan 8.270 nan 0.000 0.418 138 H N 0.021 118.867 119.070 -0.372 0.000 2.319 138 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 138 H C 1.735 176.824 175.328 -0.397 0.000 1.092 138 H CA 1.465 57.316 56.048 -0.328 0.000 1.302 138 H CB -0.135 29.417 29.762 -0.349 0.000 1.373 138 H HN 0.115 nan 8.280 nan 0.000 0.497 139 L N 1.025 121.849 121.223 -0.665 0.000 2.042 139 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 139 L C 2.259 178.891 176.870 -0.398 0.000 1.076 139 L CA 1.798 56.246 54.840 -0.654 0.000 0.749 139 L CB -0.673 40.862 42.059 -0.873 0.000 0.893 139 L HN 0.278 nan 8.230 nan 0.000 0.432 140 K N -1.100 119.045 120.400 -0.426 0.000 2.097 140 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 140 K C 2.134 178.692 176.600 -0.070 0.000 1.049 140 K CA 1.189 57.369 56.287 -0.177 0.000 0.933 140 K CB -0.108 32.232 32.500 -0.266 0.000 0.717 140 K HN 0.335 nan 8.250 nan 0.000 0.442 141 R N 0.337 120.733 120.500 -0.173 0.000 2.075 141 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 141 R C 2.322 178.544 176.300 -0.130 0.000 1.126 141 R CA 1.005 57.031 56.100 -0.124 0.000 0.963 141 R CB -0.512 29.703 30.300 -0.142 0.000 0.858 141 R HN -0.009 nan 8.270 nan 0.000 0.435 142 V N 1.279 121.046 119.914 -0.245 0.000 2.407 142 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 142 V C 2.049 178.111 176.094 -0.053 0.000 1.055 142 V CA 1.395 63.583 62.300 -0.185 0.000 1.049 142 V CB -0.265 31.389 31.823 -0.281 0.000 0.662 142 V HN 0.187 nan 8.190 nan 0.000 0.455 143 L N 0.399 121.621 121.223 -0.002 0.000 2.127 143 L HA 0.030 4.370 4.340 -0.000 0.000 0.203 143 L C 2.241 179.193 176.870 0.137 0.000 1.080 143 L CA 2.396 57.303 54.840 0.111 0.000 0.768 143 L CB -0.654 41.550 42.059 0.242 0.000 0.924 143 L HN 0.583 nan 8.230 nan 0.000 0.444 144 T N -4.396 110.232 114.554 0.124 0.000 3.243 144 T HA 0.382 4.732 4.350 -0.000 0.000 0.264 144 T C 1.104 175.843 174.700 0.065 0.000 1.000 144 T CA 0.291 62.459 62.100 0.113 0.000 0.901 144 T CB 0.162 69.120 68.868 0.150 0.000 1.083 144 T HN 0.125 nan 8.240 nan 0.000 0.559 145 A N 1.525 124.370 122.820 0.042 0.000 2.195 145 A HA 0.458 4.778 4.320 -0.000 0.000 0.210 145 A C 0.781 178.388 177.584 0.037 0.000 1.165 145 A CA 0.385 52.438 52.037 0.027 0.000 0.806 145 A CB -0.030 18.972 19.000 0.004 0.000 0.847 145 A HN 0.742 nan 8.150 nan 0.000 0.482 146 D N -2.460 117.973 120.400 0.054 0.000 2.921 146 D HA 0.127 4.767 4.640 -0.000 0.000 0.329 146 D C -0.377 175.982 176.300 0.098 0.000 1.293 146 D CA -0.036 54.005 54.000 0.068 0.000 0.964 146 D CB -0.261 40.579 40.800 0.066 0.000 1.435 146 D HN -0.037 nan 8.370 nan 0.000 0.548 147 N N -0.839 117.944 118.700 0.137 0.000 2.177 147 N HA 0.030 4.770 4.740 -0.000 0.000 0.218 147 N C 0.376 176.084 175.510 0.331 0.000 1.182 147 N CA -0.066 53.104 53.050 0.201 0.000 0.882 147 N CB 0.275 38.863 38.487 0.169 0.000 1.052 147 N HN 0.276 nan 8.380 nan 0.000 0.519 148 E N 1.114 121.440 120.200 0.210 0.000 2.160 148 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 148 E C 0.375 177.018 176.600 0.072 0.000 0.991 148 E CA 0.649 57.097 56.400 0.079 0.000 0.810 148 E CB -0.158 29.533 29.700 -0.016 0.000 0.742 148 E HN 0.553 nan 8.360 nan 0.000 0.466 149 A N 1.417 124.327 122.820 0.150 0.000 2.301 149 A HA 0.418 4.738 4.320 -0.000 0.000 0.312 149 A C -0.118 177.628 177.584 0.271 0.000 1.182 149 A CA -0.557 51.595 52.037 0.192 0.000 0.826 149 A CB 0.500 19.603 19.000 0.171 0.000 1.134 149 A HN -0.036 nan 8.150 nan 0.000 0.501 150 I N 3.870 124.647 120.570 0.346 0.000 2.337 150 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 150 I C -0.427 175.858 176.117 0.279 0.000 1.046 150 I CA -0.517 61.001 61.300 0.362 0.000 1.324 150 I CB 0.434 38.699 38.000 0.441 0.000 1.409 150 I HN 0.311 nan 8.210 nan 0.000 0.494 151 L N 6.576 127.935 121.223 0.227 0.000 2.255 151 L HA 0.248 4.588 4.340 -0.000 0.000 0.289 151 L C -0.475 176.489 176.870 0.156 0.000 1.046 151 L CA -0.221 54.703 54.840 0.140 0.000 0.816 151 L CB 0.781 42.840 42.059 0.001 0.000 1.197 151 L HN 0.606 nan 8.230 nan 0.000 0.427 152 W N 6.088 127.327 121.300 -0.103 0.000 2.299 152 W HA 0.427 5.087 4.660 -0.000 0.000 0.319 152 W C -0.240 176.231 176.519 -0.080 0.000 1.008 152 W CA -1.080 56.116 57.345 -0.247 0.000 1.384 152 W CB 0.830 29.974 29.460 -0.526 0.000 1.220 152 W HN 0.516 nan 8.180 nan 0.000 0.402 153 R N 2.952 123.588 120.500 0.227 0.000 2.532 153 R HA 0.263 4.603 4.340 -0.000 0.000 0.295 153 R C 0.005 176.121 176.300 -0.307 0.000 0.968 153 R CA -0.961 55.091 56.100 -0.079 0.000 0.916 153 R CB 2.334 32.494 30.300 -0.233 0.000 1.124 153 R HN 0.427 nan 8.270 nan 0.000 0.463 154 Q N 2.181 121.397 119.800 -0.974 0.000 2.330 154 Q HA -0.074 4.266 4.340 -0.000 0.000 0.279 154 Q C -0.405 175.272 176.000 -0.539 0.000 1.024 154 Q CA 0.271 55.271 55.803 -1.338 0.000 0.900 154 Q CB 0.376 28.063 28.738 -1.752 0.000 1.221 154 Q HN 0.530 nan 8.270 nan 0.000 0.396 155 N N 2.060 120.564 118.700 -0.328 0.000 2.735 155 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 155 N C -1.419 174.041 175.510 -0.082 0.000 1.083 155 N CA 1.021 53.987 53.050 -0.140 0.000 0.703 155 N CB -0.718 37.678 38.487 -0.153 0.000 1.005 155 N HN 0.550 nan 8.380 nan 0.000 0.550 156 Q N 0.043 119.816 119.800 -0.043 0.000 2.397 156 Q HA 0.551 4.891 4.340 -0.000 0.000 0.275 156 Q C -2.291 173.743 176.000 0.055 0.000 1.090 156 Q CA -1.427 54.362 55.803 -0.022 0.000 0.809 156 Q CB 1.804 30.498 28.738 -0.074 0.000 1.362 156 Q HN 0.015 nan 8.270 nan 0.000 0.431 157 P HA 0.127 nan 4.420 nan 0.000 0.268 157 P C -1.191 176.171 177.300 0.104 0.000 1.205 157 P CA -0.027 63.107 63.100 0.056 0.000 0.771 157 P CB 0.327 32.029 31.700 0.004 0.000 0.858 158 F N 2.016 121.906 119.950 -0.101 0.000 2.518 158 F HA 0.490 5.017 4.527 -0.000 0.000 0.323 158 F C -0.831 174.834 175.800 -0.225 0.000 1.129 158 F CA -0.750 57.108 58.000 -0.236 0.000 0.920 158 F CB 1.830 40.543 39.000 -0.478 0.000 1.160 158 F HN 0.316 nan 8.300 nan 0.000 0.440 159 S N 8.093 123.253 115.700 -0.901 0.000 2.750 159 S HA 0.369 4.839 4.470 -0.000 0.000 0.276 159 S C -1.288 172.854 174.600 -0.763 0.000 1.165 159 S CA -0.790 56.955 58.200 -0.757 0.000 1.047 159 S CB 0.564 63.563 63.200 -0.335 0.000 1.056 159 S HN 0.883 nan 8.310 nan 0.000 0.481 160 L N 5.062 125.777 121.223 -0.846 0.000 2.559 160 L HA 0.346 4.686 4.340 -0.000 0.000 0.274 160 L C 0.771 177.507 176.870 -0.223 0.000 1.205 160 L CA 0.246 54.812 54.840 -0.456 0.000 0.907 160 L CB 0.277 42.142 42.059 -0.323 0.000 1.153 160 L HN 0.929 nan 8.230 nan 0.000 0.490 161 A N 4.804 127.508 122.820 -0.194 0.000 2.280 161 A HA 0.413 4.733 4.320 -0.000 0.000 0.268 161 A C -0.901 176.515 177.584 -0.279 0.000 1.111 161 A CA -0.285 51.633 52.037 -0.199 0.000 0.814 161 A CB 0.228 18.989 19.000 -0.398 0.000 1.093 161 A HN 0.842 nan 8.150 nan 0.000 0.498 162 H N -0.637 118.056 119.070 -0.627 0.000 2.539 162 H HA 0.533 5.089 4.556 -0.000 0.000 0.332 162 H C -1.416 173.595 175.328 -0.528 0.000 1.031 162 H CA -0.956 54.807 56.048 -0.475 0.000 1.206 162 H CB 0.558 30.187 29.762 -0.222 0.000 1.446 162 H HN 0.406 nan 8.280 nan 0.000 0.496 163 F N 0.872 120.879 119.950 0.094 0.000 2.408 163 F HA 0.294 4.821 4.527 -0.000 0.000 0.344 163 F C 0.904 176.728 175.800 0.039 0.000 1.112 163 F CA -0.913 57.117 58.000 0.051 0.000 1.096 163 F CB 0.978 39.991 39.000 0.021 0.000 1.129 163 F HN 0.322 nan 8.300 nan 0.000 0.486 164 T N 5.257 119.927 114.554 0.193 0.000 2.871 164 T HA 0.102 4.452 4.350 -0.000 0.000 0.296 164 T C -1.966 172.806 174.700 0.120 0.000 0.998 164 T CA -0.843 61.329 62.100 0.120 0.000 1.162 164 T CB -0.109 68.812 68.868 0.088 0.000 0.947 164 T HN 0.331 nan 8.240 nan 0.000 0.536 165 P HA 0.228 nan 4.420 nan 0.000 0.272 165 P C -0.458 176.874 177.300 0.053 0.000 1.240 165 P CA -0.591 62.551 63.100 0.070 0.000 0.791 165 P CB 0.814 32.550 31.700 0.060 0.000 0.978 166 R N -1.062 119.461 120.500 0.039 0.000 2.854 166 R HA 0.550 4.890 4.340 -0.000 0.000 0.271 166 R C -0.045 176.284 176.300 0.048 0.000 0.994 166 R CA -0.919 55.204 56.100 0.039 0.000 0.945 166 R CB 0.277 30.590 30.300 0.022 0.000 1.194 166 R HN 0.469 nan 8.270 nan 0.000 0.476 167 T N -0.075 114.518 114.554 0.064 0.000 2.934 167 T HA -0.061 4.288 4.350 -0.000 0.000 0.321 167 T C -0.076 174.680 174.700 0.094 0.000 1.080 167 T CA 0.048 62.197 62.100 0.082 0.000 1.132 167 T CB 0.097 69.022 68.868 0.095 0.000 1.039 167 T HN 0.570 nan 8.240 nan 0.000 0.543 168 D N 2.160 122.616 120.400 0.093 0.000 2.472 168 D HA 0.299 4.939 4.640 -0.000 0.000 0.237 168 D C -0.715 175.624 176.300 0.065 0.000 1.141 168 D CA 0.527 54.551 54.000 0.041 0.000 0.875 168 D CB 0.247 41.093 40.800 0.076 0.000 1.192 168 D HN 0.707 nan 8.370 nan 0.000 0.450 169 W N 2.822 123.932 121.300 -0.317 0.000 2.761 169 W HA 0.519 5.179 4.660 0.000 0.000 0.340 169 W C -1.641 174.555 176.519 -0.539 0.000 1.072 169 W CA -0.695 56.507 57.345 -0.238 0.000 1.215 169 W CB 0.858 30.240 29.460 -0.130 0.000 1.420 169 W HN 0.263 nan 8.180 nan 0.000 0.519 170 Y N 5.550 125.313 120.300 -0.895 0.000 2.425 170 Y HA 0.442 4.992 4.550 0.000 0.000 0.344 170 Y C -1.645 173.350 175.900 -1.508 0.000 0.969 170 Y CA -2.350 55.230 58.100 -0.868 0.000 1.052 170 Y CB 1.460 39.662 38.460 -0.429 0.000 1.215 170 Y HN 0.210 nan 8.280 nan 0.000 0.451 171 P HA 0.204 nan 4.420 nan 0.000 0.271 171 P C -0.788 176.325 177.300 -0.311 0.000 1.233 171 P CA -0.291 62.437 63.100 -0.621 0.000 0.789 171 P CB 0.954 32.584 31.700 -0.116 0.000 0.951 172 A N 0.928 123.661 122.820 -0.146 0.000 2.354 172 A HA 0.362 4.682 4.320 -0.000 0.000 0.269 172 A C 1.544 179.106 177.584 -0.036 0.000 1.109 172 A CA 0.205 52.195 52.037 -0.079 0.000 0.800 172 A CB -0.168 18.819 19.000 -0.023 0.000 1.045 172 A HN 0.684 nan 8.150 nan 0.000 0.489 173 T N -0.377 114.155 114.554 -0.036 0.000 2.901 173 T HA 0.384 4.734 4.350 -0.000 0.000 0.252 173 T C 1.235 175.935 174.700 -0.001 0.000 1.035 173 T CA 1.658 63.743 62.100 -0.026 0.000 1.142 173 T CB -0.008 68.837 68.868 -0.039 0.000 0.869 173 T HN 1.956 nan 8.240 nan 0.000 0.442 174 G N 0.629 109.450 108.800 0.035 0.000 3.655 174 G HA2 0.310 4.270 3.960 -0.000 0.000 0.219 174 G HA3 0.310 4.270 3.960 -0.000 0.000 0.219 174 G C 0.299 175.276 174.900 0.128 0.000 0.933 174 G CA 0.037 45.194 45.100 0.094 0.000 0.856 174 G HN 0.881 nan 8.290 nan 0.000 0.523 175 A N 2.199 125.045 122.820 0.043 0.000 2.425 175 A HA 0.643 4.963 4.320 -0.000 0.000 0.249 175 A C -1.715 175.874 177.584 0.008 0.000 1.084 175 A CA -0.738 51.310 52.037 0.019 0.000 0.781 175 A CB -0.133 18.857 19.000 -0.017 0.000 1.019 175 A HN 0.164 nan 8.150 nan 0.000 0.490 176 P HA 0.015 nan 4.420 nan 0.000 0.265 176 P C -0.387 176.873 177.300 -0.068 0.000 1.193 176 P CA 0.104 63.167 63.100 -0.062 0.000 0.765 176 P CB 0.454 32.103 31.700 -0.084 0.000 0.823 177 Q N 4.358 124.109 119.800 -0.082 0.000 2.535 177 Q HA 0.048 4.388 4.340 -0.000 0.000 0.228 177 Q C -1.073 174.884 176.000 -0.073 0.000 1.062 177 Q CA -1.283 54.474 55.803 -0.076 0.000 0.967 177 Q CB -0.413 28.278 28.738 -0.079 0.000 1.273 177 Q HN 0.375 nan 8.270 nan 0.000 0.554 178 P HA -0.230 nan 4.420 nan 0.000 0.214 178 P C 0.662 177.928 177.300 -0.057 0.000 1.169 178 P CA 1.681 64.749 63.100 -0.053 0.000 0.908 178 P CB 0.208 31.884 31.700 -0.040 0.000 0.791 179 E N -0.464 119.704 120.200 -0.055 0.000 2.160 179 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 179 E C 2.403 178.952 176.600 -0.084 0.000 0.991 179 E CA 1.027 57.394 56.400 -0.056 0.000 0.810 179 E CB -0.198 29.475 29.700 -0.046 0.000 0.742 179 E HN 0.456 nan 8.360 nan 0.000 0.466 180 Q N 0.098 119.838 119.800 -0.100 0.000 2.020 180 Q HA -0.210 4.130 4.340 -0.000 0.000 0.198 180 Q C 2.222 178.144 176.000 -0.129 0.000 0.974 180 Q CA 1.177 56.902 55.803 -0.130 0.000 0.829 180 Q CB -0.158 28.490 28.738 -0.150 0.000 0.894 180 Q HN 0.091 nan 8.270 nan 0.000 0.433 181 Q N 1.177 120.914 119.800 -0.105 0.000 2.112 181 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 181 Q C 1.986 177.926 176.000 -0.100 0.000 0.987 181 Q CA 1.977 57.722 55.803 -0.095 0.000 0.858 181 Q CB -0.141 28.553 28.738 -0.073 0.000 0.905 181 Q HN 0.217 nan 8.270 nan 0.000 0.420 182 Q N -0.660 119.084 119.800 -0.094 0.000 2.079 182 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 182 Q C 1.753 177.666 176.000 -0.145 0.000 0.974 182 Q CA 1.336 57.083 55.803 -0.093 0.000 0.840 182 Q CB -0.449 28.250 28.738 -0.064 0.000 0.898 182 Q HN 0.471 nan 8.270 nan 0.000 0.430 183 L N -0.304 120.810 121.223 -0.183 0.000 2.141 183 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 183 L C 1.969 178.653 176.870 -0.310 0.000 1.094 183 L CA 0.975 55.629 54.840 -0.311 0.000 0.763 183 L CB -0.669 41.223 42.059 -0.279 0.000 0.908 183 L HN 0.300 nan 8.230 nan 0.000 0.437 184 L N -0.729 120.363 121.223 -0.218 0.000 2.083 184 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 184 L C 2.423 179.193 176.870 -0.167 0.000 1.083 184 L CA 1.700 56.422 54.840 -0.197 0.000 0.752 184 L CB -0.646 41.318 42.059 -0.159 0.000 0.899 184 L HN 0.208 nan 8.230 nan 0.000 0.433 185 K N -1.326 118.990 120.400 -0.140 0.000 2.057 185 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 185 K C 2.079 178.621 176.600 -0.097 0.000 1.050 185 K CA 1.294 57.522 56.287 -0.099 0.000 0.935 185 K CB -0.009 32.446 32.500 -0.076 0.000 0.715 185 K HN 0.390 nan 8.250 nan 0.000 0.439 186 Q N 0.143 119.853 119.800 -0.150 0.000 2.119 186 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 186 Q C 0.437 176.367 176.000 -0.116 0.000 0.972 186 Q CA 0.502 56.221 55.803 -0.139 0.000 0.847 186 Q CB 0.068 28.667 28.738 -0.231 0.000 0.903 186 Q HN 0.068 nan 8.270 nan 0.000 0.433 192 P HA 0.375 nan 4.420 nan 0.000 0.264 192 P C 0.272 177.559 177.300 -0.023 0.000 1.183 192 P CA 1.029 64.078 63.100 -0.084 0.000 0.763 192 P CB 0.375 32.034 31.700 -0.068 0.000 0.807 193 G N 0.494 109.263 108.800 -0.051 0.000 2.404 193 G HA2 0.340 4.300 3.960 -0.000 0.000 0.253 193 G HA3 0.340 4.300 3.960 -0.000 0.000 0.253 193 G C -1.870 173.035 174.900 0.009 0.000 1.253 193 G CA -0.479 44.646 45.100 0.042 0.000 0.917 193 G HN 0.461 nan 8.290 nan 0.000 0.480 194 V N 0.397 120.357 119.914 0.077 0.000 2.656 194 V HA 0.837 4.957 4.120 -0.000 0.000 0.307 194 V C 0.205 176.381 176.094 0.136 0.000 1.051 194 V CA -0.063 62.249 62.300 0.020 0.000 0.893 194 V CB 1.248 33.007 31.823 -0.106 0.000 0.999 194 V HN 1.847 nan 8.190 nan 0.000 0.426 195 A N 3.140 126.059 122.820 0.164 0.000 2.371 195 A HA 0.982 5.302 4.320 -0.000 0.000 0.311 195 A C -0.367 177.325 177.584 0.179 0.000 1.068 195 A CA -0.369 51.846 52.037 0.296 0.000 0.744 195 A CB 1.762 21.076 19.000 0.522 0.000 1.239 195 A HN 1.499 nan 8.150 nan 0.000 0.435 196 A N 1.673 124.587 122.820 0.158 0.000 2.319 196 A HA 0.645 4.965 4.320 -0.000 0.000 0.310 196 A C -0.954 176.742 177.584 0.187 0.000 1.152 196 A CA -0.418 51.687 52.037 0.114 0.000 0.783 196 A CB 1.053 20.080 19.000 0.045 0.000 1.184 196 A HN 1.115 nan 8.150 nan 0.000 0.474 197 V N 2.621 122.631 119.914 0.161 0.000 2.328 197 V HA 0.515 4.635 4.120 -0.000 0.000 0.278 197 V C 0.494 176.632 176.094 0.072 0.000 1.021 197 V CA -0.171 62.218 62.300 0.147 0.000 0.838 197 V CB 1.264 33.143 31.823 0.094 0.000 0.999 197 V HN 0.938 nan 8.190 nan 0.000 0.447 198 T N 3.948 118.541 114.554 0.065 0.000 2.895 198 T HA 0.881 5.231 4.350 -0.000 0.000 0.283 198 T C -0.423 174.283 174.700 0.010 0.000 1.014 198 T CA 0.306 62.421 62.100 0.025 0.000 1.037 198 T CB 1.446 70.329 68.868 0.023 0.000 1.006 198 T HN 1.228 nan 8.240 nan 0.000 0.468 199 A N 1.861 124.671 122.820 -0.016 0.000 2.569 199 A HA 0.730 5.050 4.320 -0.000 0.000 0.292 199 A C -0.447 177.113 177.584 -0.039 0.000 1.032 199 A CA -0.391 51.633 52.037 -0.021 0.000 0.669 199 A CB 0.142 19.127 19.000 -0.025 0.000 1.290 199 A HN 1.360 nan 8.150 nan 0.000 0.422 200 A N 0.661 123.467 122.820 -0.024 0.000 2.448 200 A HA 0.576 4.896 4.320 -0.000 0.000 0.239 200 A C 0.810 178.372 177.584 -0.037 0.000 1.080 200 A CA 0.517 52.540 52.037 -0.024 0.000 0.779 200 A CB 0.004 19.022 19.000 0.030 0.000 1.026 200 A HN 1.315 nan 8.150 nan 0.000 0.499 201 R N 0.296 120.769 120.500 -0.045 0.000 2.679 201 R HA 0.341 4.681 4.340 -0.000 0.000 0.268 201 R C 1.069 177.374 176.300 0.008 0.000 1.044 201 R CA 1.191 57.267 56.100 -0.039 0.000 1.105 201 R CB -0.090 30.174 30.300 -0.059 0.000 0.989 201 R HN 1.922 nan 8.270 nan 0.000 0.447 202 G N 2.794 111.571 108.800 -0.038 0.000 2.147 202 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 202 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 202 G C 0.367 175.120 174.900 -0.245 0.000 1.005 202 G CA 0.426 45.442 45.100 -0.141 0.000 0.713 202 G HN 0.604 nan 8.290 nan 0.000 0.515 203 R N -0.156 120.248 120.500 -0.159 0.000 2.393 203 R HA 0.473 4.813 4.340 -0.000 0.000 0.244 203 R C 1.855 178.062 176.300 -0.155 0.000 0.920 203 R CA 0.960 56.966 56.100 -0.157 0.000 1.076 203 R CB 0.123 30.363 30.300 -0.099 0.000 1.119 203 R HN 1.441 nan 8.270 nan 0.000 0.524 204 G N 0.775 109.476 108.800 -0.166 0.000 2.149 204 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.235 204 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.235 204 G C 0.727 175.508 174.900 -0.198 0.000 1.018 204 G CA 0.550 45.529 45.100 -0.202 0.000 0.728 204 G HN 0.359 nan 8.290 nan 0.000 0.508 205 K N 0.174 120.488 120.400 -0.142 0.000 2.025 205 K HA -0.011 4.309 4.320 -0.000 0.000 0.207 205 K C 2.644 179.169 176.600 -0.126 0.000 1.049 205 K CA 1.593 57.812 56.287 -0.115 0.000 0.933 205 K CB -0.250 32.206 32.500 -0.073 0.000 0.714 205 K HN 0.322 nan 8.250 nan 0.000 0.438 206 S N 1.056 116.686 115.700 -0.116 0.000 2.382 206 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 206 S C 2.125 176.624 174.600 -0.168 0.000 1.027 206 S CA 1.195 59.341 58.200 -0.091 0.000 0.991 206 S CB -0.188 62.985 63.200 -0.046 0.000 0.823 206 S HN 0.419 nan 8.310 nan 0.000 0.469 207 A N 1.443 124.056 122.820 -0.345 0.000 1.898 207 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 207 A C 2.094 179.335 177.584 -0.572 0.000 1.181 207 A CA 1.161 52.720 52.037 -0.798 0.000 0.620 207 A CB -0.674 17.524 19.000 -1.337 0.000 0.819 207 A HN 0.420 nan 8.150 nan 0.000 0.442 208 L N -0.031 120.965 121.223 -0.378 0.000 2.042 208 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 208 L C 2.558 179.303 176.870 -0.208 0.000 1.076 208 L CA 2.330 57.009 54.840 -0.268 0.000 0.749 208 L CB -0.735 41.201 42.059 -0.204 0.000 0.893 208 L HN 0.325 nan 8.230 nan 0.000 0.432 209 A N -0.612 122.112 122.820 -0.159 0.000 1.930 209 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 209 A C 2.325 179.857 177.584 -0.087 0.000 1.175 209 A CA 1.377 53.347 52.037 -0.112 0.000 0.627 209 A CB -1.502 17.472 19.000 -0.044 0.000 0.815 209 A HN 0.535 nan 8.150 nan 0.000 0.443 210 G N -0.866 107.905 108.800 -0.050 0.000 2.408 210 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 210 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 210 G C 1.567 176.488 174.900 0.034 0.000 1.150 210 G CA 0.877 46.007 45.100 0.051 0.000 0.776 210 G HN 0.634 nan 8.290 nan 0.000 0.542 211 Q N -0.409 119.369 119.800 -0.037 0.000 2.167 211 Q HA 0.052 4.392 4.340 -0.000 0.000 0.202 211 Q C 2.419 178.357 176.000 -0.102 0.000 0.970 211 Q CA 0.582 56.366 55.803 -0.032 0.000 0.855 211 Q CB -0.239 28.438 28.738 -0.102 0.000 0.911 211 Q HN 0.411 nan 8.270 nan 0.000 0.438 212 L N 0.957 122.074 121.223 -0.176 0.000 1.988 212 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 212 L C 2.043 178.744 176.870 -0.282 0.000 1.071 212 L CA 1.729 56.397 54.840 -0.287 0.000 0.744 212 L CB -0.607 41.206 42.059 -0.409 0.000 0.893 212 L HN 0.282 nan 8.230 nan 0.000 0.433 213 I N -0.078 120.365 120.570 -0.211 0.000 2.423 213 I HA -0.284 3.885 4.170 -0.000 0.000 0.254 213 I C 2.779 178.848 176.117 -0.079 0.000 1.151 213 I CA 1.365 62.578 61.300 -0.145 0.000 1.421 213 I CB -0.341 37.638 38.000 -0.034 0.000 1.079 213 I HN 0.329 nan 8.210 nan 0.000 0.431 214 S N 0.682 116.351 115.700 -0.051 0.000 2.406 214 S HA -0.053 4.417 4.470 -0.000 0.000 0.228 214 S C 1.989 176.564 174.600 -0.043 0.000 1.020 214 S CA 1.059 59.246 58.200 -0.021 0.000 0.965 214 S CB -0.043 63.164 63.200 0.011 0.000 0.798 214 S HN 0.400 nan 8.310 nan 0.000 0.488 215 R N 0.565 121.018 120.500 -0.079 0.000 2.362 215 R HA 0.334 4.674 4.340 -0.000 0.000 0.227 215 R C 0.540 176.791 176.300 -0.083 0.000 0.905 215 R CA -0.003 56.051 56.100 -0.076 0.000 1.067 215 R CB 0.034 30.285 30.300 -0.083 0.000 1.078 215 R HN 0.536 nan 8.270 nan 0.000 0.516 216 I N -2.824 117.679 120.570 -0.111 0.000 2.612 216 I HA 0.379 4.549 4.170 -0.000 0.000 0.295 216 I C 1.114 177.220 176.117 -0.019 0.000 1.011 216 I CA -0.438 60.815 61.300 -0.079 0.000 1.326 216 I CB 1.459 39.374 38.000 -0.142 0.000 1.427 216 I HN -0.189 nan 8.210 nan 0.000 0.537 217 A N 3.969 126.799 122.820 0.017 0.000 2.066 217 A HA 0.267 4.587 4.320 -0.000 0.000 0.218 217 A C 1.263 178.873 177.584 0.043 0.000 1.157 217 A CA 0.986 53.039 52.037 0.027 0.000 0.670 217 A CB -0.953 18.066 19.000 0.032 0.000 0.804 217 A HN 0.963 nan 8.150 nan 0.000 0.453 218 G N -1.216 107.627 108.800 0.071 0.000 2.531 218 G HA2 0.498 4.458 3.960 -0.000 0.000 0.313 218 G HA3 0.498 4.458 3.960 -0.000 0.000 0.313 218 G C -0.253 174.697 174.900 0.083 0.000 1.238 218 G CA -0.750 44.405 45.100 0.092 0.000 0.994 218 G HN 0.280 nan 8.290 nan 0.000 0.493 219 R N -1.299 119.257 120.500 0.092 0.000 2.637 219 R HA 0.629 4.969 4.340 -0.000 0.000 0.269 219 R C -0.016 176.342 176.300 0.097 0.000 1.089 219 R CA 0.562 56.707 56.100 0.075 0.000 1.177 219 R CB 1.050 31.392 30.300 0.069 0.000 1.091 219 R HN 0.754 nan 8.270 nan 0.000 0.540 220 A N 2.438 125.286 122.820 0.048 0.000 2.520 220 A HA 0.570 4.890 4.320 -0.000 0.000 0.298 220 A C -1.250 176.299 177.584 -0.058 0.000 1.051 220 A CA -0.635 51.419 52.037 0.028 0.000 0.690 220 A CB 1.058 20.068 19.000 0.017 0.000 1.281 220 A HN 0.596 nan 8.150 nan 0.000 0.402 221 I N 2.243 122.723 120.570 -0.151 0.000 2.378 221 I HA 0.501 4.671 4.170 -0.000 0.000 0.291 221 I C -0.137 175.823 176.117 -0.262 0.000 0.992 221 I CA -0.948 60.216 61.300 -0.227 0.000 1.154 221 I CB 1.885 39.727 38.000 -0.264 0.000 1.315 221 I HN 0.551 nan 8.210 nan 0.000 0.448 222 V N 5.115 124.872 119.914 -0.261 0.000 2.630 222 V HA 0.741 4.861 4.120 -0.000 0.000 0.305 222 V C -0.499 175.337 176.094 -0.430 0.000 1.046 222 V CA 0.212 62.396 62.300 -0.193 0.000 0.934 222 V CB 1.978 33.825 31.823 0.040 0.000 1.003 222 V HN 0.828 nan 8.190 nan 0.000 0.451 223 T N 3.466 117.819 114.554 -0.334 0.000 2.841 223 T HA 0.893 5.243 4.350 -0.000 0.000 0.296 223 T C -0.913 173.763 174.700 -0.040 0.000 1.166 223 T CA 0.113 61.891 62.100 -0.536 0.000 1.007 223 T CB 1.639 70.295 68.868 -0.354 0.000 1.253 223 T HN 2.114 nan 8.240 nan 0.000 0.511 224 A N 2.800 125.698 122.820 0.130 0.000 2.590 224 A HA 0.704 5.024 4.320 -0.000 0.000 0.296 224 A C -2.497 175.239 177.584 0.253 0.000 1.050 224 A CA -0.972 51.226 52.037 0.268 0.000 0.697 224 A CB 0.691 19.931 19.000 0.401 0.000 1.277 224 A HN 0.531 nan 8.150 nan 0.000 0.411 225 P HA -0.101 nan 4.420 nan 0.000 0.205 225 P C 0.883 178.265 177.300 0.137 0.000 1.164 225 P CA 2.361 65.535 63.100 0.122 0.000 0.938 225 P CB 0.109 31.861 31.700 0.087 0.000 0.777 226 A N -0.728 122.160 122.820 0.112 0.000 2.269 226 A HA 0.386 4.706 4.320 -0.000 0.000 0.327 226 A C 0.330 177.969 177.584 0.092 0.000 1.112 226 A CA -0.713 51.378 52.037 0.090 0.000 0.865 226 A CB 0.426 19.464 19.000 0.064 0.000 1.227 226 A HN 0.077 nan 8.150 nan 0.000 0.498 227 K N 1.476 121.885 120.400 0.015 0.000 2.278 227 K HA 0.385 4.705 4.320 -0.000 0.000 0.237 227 K C 0.355 176.935 176.600 -0.033 0.000 1.229 227 K CA -0.052 56.182 56.287 -0.090 0.000 1.155 227 K CB -0.629 31.652 32.500 -0.365 0.000 1.590 227 K HN 0.782 nan 8.250 nan 0.000 0.290 228 A N 1.960 124.797 122.820 0.028 0.000 2.586 228 A HA -0.059 4.261 4.320 -0.000 0.000 0.231 228 A C 0.408 177.998 177.584 0.010 0.000 1.055 228 A CA 0.412 52.464 52.037 0.025 0.000 0.756 228 A CB 0.120 19.139 19.000 0.030 0.000 0.988 228 A HN 0.761 nan 8.150 nan 0.000 0.509 229 S N 1.475 117.180 115.700 0.009 0.000 3.897 229 S HA -0.071 4.399 4.470 -0.000 0.000 0.466 229 S C 1.003 175.600 174.600 -0.005 0.000 1.095 229 S CA 0.961 59.159 58.200 -0.003 0.000 1.179 229 S CB -0.273 62.935 63.200 0.013 0.000 0.777 229 S HN 1.108 nan 8.310 nan 0.000 0.521 230 T N 3.296 117.833 114.554 -0.029 0.000 3.054 230 T HA 0.130 4.480 4.350 -0.000 0.000 0.255 230 T C 1.081 175.706 174.700 -0.125 0.000 1.035 230 T CA 0.236 62.339 62.100 0.004 0.000 0.941 230 T CB -0.135 68.786 68.868 0.089 0.000 1.026 230 T HN 0.703 nan 8.240 nan 0.000 0.533 231 D N 1.101 121.429 120.400 -0.119 0.000 2.092 231 D HA -0.097 4.543 4.640 -0.000 0.000 0.193 231 D C 2.122 178.345 176.300 -0.129 0.000 0.994 231 D CA 1.120 55.026 54.000 -0.156 0.000 0.828 231 D CB -0.203 40.545 40.800 -0.088 0.000 0.963 231 D HN 0.280 nan 8.370 nan 0.000 0.450 232 V N 1.605 121.499 119.914 -0.033 0.000 2.392 232 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 232 V C 2.612 178.783 176.094 0.129 0.000 1.059 232 V CA 1.052 63.396 62.300 0.074 0.000 1.051 232 V CB -0.462 31.417 31.823 0.094 0.000 0.658 232 V HN 0.185 nan 8.190 nan 0.000 0.455 233 L N -0.055 121.177 121.223 0.015 0.000 2.017 233 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 233 L C 2.567 179.381 176.870 -0.093 0.000 1.073 233 L CA 1.784 56.638 54.840 0.024 0.000 0.745 233 L CB -0.488 41.610 42.059 0.064 0.000 0.894 233 L HN 0.340 nan 8.230 nan 0.000 0.432 234 A N -0.827 121.703 122.820 -0.483 0.000 1.902 234 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 234 A C 2.209 179.582 177.584 -0.352 0.000 1.181 234 A CA 1.847 53.339 52.037 -0.907 0.000 0.623 234 A CB -0.696 17.442 19.000 -1.436 0.000 0.818 234 A HN 0.643 nan 8.150 nan 0.000 0.443 235 Q N -1.358 118.300 119.800 -0.237 0.000 2.061 235 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 235 Q C 1.591 177.423 176.000 -0.280 0.000 0.984 235 Q CA 2.076 57.731 55.803 -0.247 0.000 0.846 235 Q CB -0.230 28.339 28.738 -0.281 0.000 0.902 235 Q HN 0.649 nan 8.270 nan 0.000 0.421 236 F N -0.441 119.442 119.950 -0.112 0.000 2.615 236 F HA 0.127 4.654 4.527 -0.000 0.000 0.297 236 F C 2.144 177.908 175.800 -0.060 0.000 1.124 236 F CA 0.691 58.643 58.000 -0.080 0.000 1.451 236 F CB -0.118 38.835 39.000 -0.078 0.000 1.103 236 F HN 0.167 nan 8.300 nan 0.000 0.569 237 A N -0.047 122.833 122.820 0.099 0.000 2.021 237 A HA 0.423 4.743 4.320 -0.000 0.000 0.216 237 A C 1.981 179.608 177.584 0.072 0.000 1.163 237 A CA 0.995 53.096 52.037 0.106 0.000 0.676 237 A CB -1.075 18.054 19.000 0.215 0.000 0.818 237 A HN 0.468 nan 8.150 nan 0.000 0.453 238 G N 0.483 109.292 108.800 0.015 0.000 2.550 238 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.277 238 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.277 238 G C 0.770 175.708 174.900 0.063 0.000 1.190 238 G CA 0.738 45.840 45.100 0.004 0.000 0.971 238 G HN 0.926 nan 8.290 nan 0.000 0.559 239 E N 0.500 120.730 120.200 0.051 0.000 2.268 239 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 239 E C 1.911 178.567 176.600 0.093 0.000 0.995 239 E CA 1.288 57.728 56.400 0.067 0.000 0.836 239 E CB -0.131 29.591 29.700 0.037 0.000 0.763 239 E HN 0.552 nan 8.360 nan 0.000 0.491 240 K N 0.448 120.904 120.400 0.092 0.000 2.551 240 K HA 0.034 4.354 4.320 -0.000 0.000 0.192 240 K C -0.177 176.506 176.600 0.137 0.000 1.027 240 K CA -0.183 56.156 56.287 0.087 0.000 1.059 240 K CB -0.170 32.365 32.500 0.058 0.000 0.831 240 K HN 0.084 nan 8.250 nan 0.000 0.508 241 F N 1.902 121.866 119.950 0.023 0.000 2.467 241 F HA 0.156 4.683 4.527 -0.000 0.000 0.362 241 F C -0.020 175.815 175.800 0.059 0.000 1.090 241 F CA -0.538 57.487 58.000 0.042 0.000 1.202 241 F CB 0.458 39.485 39.000 0.045 0.000 1.113 241 F HN -0.223 nan 8.300 nan 0.000 0.541 242 R N 6.731 126.880 120.500 -0.585 0.000 2.518 242 R HA 0.362 4.702 4.340 -0.000 0.000 0.296 242 R C -2.179 173.791 176.300 -0.549 0.000 1.080 242 R CA -0.529 55.299 56.100 -0.454 0.000 0.922 242 R CB 0.606 30.792 30.300 -0.189 0.000 1.184 242 R HN 0.622 nan 8.270 nan 0.000 0.445 243 F N 5.787 125.343 119.950 -0.658 0.000 2.443 243 F HA 0.655 5.182 4.527 0.000 0.000 0.335 243 F C -0.990 174.705 175.800 -0.174 0.000 1.104 243 F CA -0.807 56.949 58.000 -0.407 0.000 1.013 243 F CB 1.016 39.827 39.000 -0.315 0.000 1.136 243 F HN 0.373 nan 8.300 nan 0.000 0.470 244 I N 5.514 125.635 120.570 -0.747 0.000 2.512 244 I HA 0.413 4.583 4.170 -0.000 0.000 0.287 244 I C -0.300 175.421 176.117 -0.660 0.000 1.069 244 I CA -1.091 59.967 61.300 -0.404 0.000 1.056 244 I CB 1.722 39.582 38.000 -0.233 0.000 1.229 244 I HN 0.789 nan 8.210 nan 0.000 0.429 245 A N 8.886 131.606 122.820 -0.166 0.000 2.520 245 A HA 0.255 4.575 4.320 -0.000 0.000 0.235 245 A C -1.284 176.242 177.584 -0.096 0.000 1.065 245 A CA -0.631 51.403 52.037 -0.005 0.000 0.764 245 A CB -0.323 18.786 19.000 0.182 0.000 1.002 245 A HN 0.630 nan 8.150 nan 0.000 0.502 246 P HA -0.233 nan 4.420 nan 0.000 0.215 246 P C 0.672 177.972 177.300 0.001 0.000 1.163 246 P CA 1.847 64.931 63.100 -0.028 0.000 0.894 246 P CB -0.023 31.686 31.700 0.016 0.000 0.791 247 D N -0.121 120.289 120.400 0.018 0.000 2.144 247 D HA -0.088 4.552 4.640 -0.000 0.000 0.199 247 D C 2.065 178.373 176.300 0.014 0.000 0.984 247 D CA 1.524 55.536 54.000 0.019 0.000 0.834 247 D CB -0.401 40.413 40.800 0.023 0.000 0.955 247 D HN 0.162 nan 8.370 nan 0.000 0.465 248 A N 0.677 123.505 122.820 0.014 0.000 2.066 248 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 248 A C 2.080 179.667 177.584 0.004 0.000 1.157 248 A CA 0.560 52.604 52.037 0.012 0.000 0.670 248 A CB -0.280 18.732 19.000 0.020 0.000 0.804 248 A HN 0.185 nan 8.150 nan 0.000 0.453 249 L N -0.920 120.300 121.223 -0.005 0.000 2.162 249 L HA 0.065 4.405 4.340 -0.000 0.000 0.205 249 L C 2.011 178.903 176.870 0.037 0.000 1.086 249 L CA 1.169 56.016 54.840 0.011 0.000 0.778 249 L CB -0.396 41.658 42.059 -0.008 0.000 0.928 249 L HN 0.294 nan 8.230 nan 0.000 0.446 250 L N 0.085 121.326 121.223 0.030 0.000 2.046 250 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 250 L C 2.452 179.328 176.870 0.010 0.000 1.077 250 L CA 2.186 57.043 54.840 0.027 0.000 0.747 250 L CB -1.378 40.696 42.059 0.026 0.000 0.896 250 L HN 0.403 nan 8.230 nan 0.000 0.432 251 A N -0.656 122.169 122.820 0.008 0.000 2.014 251 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 251 A C 1.582 179.166 177.584 -0.000 0.000 1.163 251 A CA 0.885 52.923 52.037 0.002 0.000 0.652 251 A CB -0.522 18.480 19.000 0.003 0.000 0.808 251 A HN 0.627 nan 8.150 nan 0.000 0.449 252 S N -0.605 115.097 115.700 0.005 0.000 2.655 252 S HA 0.289 4.759 4.470 -0.000 0.000 0.265 252 S C -0.030 174.568 174.600 -0.005 0.000 1.240 252 S CA -0.068 58.135 58.200 0.004 0.000 0.986 252 S CB 0.735 63.943 63.200 0.013 0.000 0.985 252 S HN 0.283 nan 8.310 nan 0.000 0.562 253 D N -0.050 120.346 120.400 -0.007 0.000 2.440 253 D HA 0.163 4.803 4.640 -0.000 0.000 0.216 253 D C -0.422 175.868 176.300 -0.017 0.000 1.150 253 D CA -0.088 53.898 54.000 -0.023 0.000 0.832 253 D CB 0.203 40.990 40.800 -0.023 0.000 0.992 253 D HN 0.522 nan 8.370 nan 0.000 0.502 254 E N 1.322 121.531 120.200 0.014 0.000 2.413 254 E HA 0.144 4.494 4.350 -0.000 0.000 0.263 254 E C 0.323 176.967 176.600 0.074 0.000 1.015 254 E CA 0.442 56.870 56.400 0.048 0.000 0.916 254 E CB 1.094 30.834 29.700 0.067 0.000 0.947 254 E HN 0.220 nan 8.360 nan 0.000 0.440 255 Q N -0.466 119.393 119.800 0.098 0.000 2.484 255 Q HA 0.812 5.152 4.340 -0.000 0.000 0.285 255 Q C -1.223 174.940 176.000 0.271 0.000 1.097 255 Q CA -0.974 54.914 55.803 0.143 0.000 0.802 255 Q CB 2.532 31.266 28.738 -0.007 0.000 1.444 255 Q HN 0.630 nan 8.270 nan 0.000 0.429 256 A N 0.159 123.231 122.820 0.421 0.000 2.599 256 A HA 0.338 4.658 4.320 -0.000 0.000 0.290 256 A C -0.721 177.048 177.584 0.308 0.000 1.101 256 A CA -0.554 51.663 52.037 0.299 0.000 0.674 256 A CB 1.044 20.163 19.000 0.198 0.000 1.277 256 A HN 0.791 nan 8.150 nan 0.000 0.419 257 D N -0.903 119.634 120.400 0.227 0.000 2.149 257 D HA -0.003 4.637 4.640 -0.000 0.000 0.201 257 D C -0.559 175.840 176.300 0.165 0.000 0.972 257 D CA 1.655 55.780 54.000 0.209 0.000 0.835 257 D CB 0.216 41.184 40.800 0.280 0.000 0.966 257 D HN 0.479 nan 8.370 nan 0.000 0.476 258 W N 0.310 121.620 121.300 0.016 0.000 2.819 258 W HA 0.422 5.082 4.660 -0.000 0.000 0.337 258 W C -0.828 175.512 176.519 -0.297 0.000 1.077 258 W CA -0.824 56.480 57.345 -0.068 0.000 1.226 258 W CB 1.254 30.678 29.460 -0.059 0.000 1.419 258 W HN -0.299 nan 8.180 nan 0.000 0.502 259 L N 3.855 124.981 121.223 -0.161 0.000 2.305 259 L HA 0.759 5.099 4.340 -0.000 0.000 0.284 259 L C -1.269 175.544 176.870 -0.094 0.000 1.013 259 L CA -0.801 53.738 54.840 -0.503 0.000 0.819 259 L CB 1.175 42.815 42.059 -0.698 0.000 1.227 259 L HN 0.173 nan 8.230 nan 0.000 0.417 260 V N 6.208 126.065 119.914 -0.095 0.000 2.378 260 V HA 0.493 4.613 4.120 -0.000 0.000 0.288 260 V C -0.564 175.517 176.094 -0.021 0.000 1.016 260 V CA -0.576 61.727 62.300 0.004 0.000 0.840 260 V CB 1.755 33.590 31.823 0.019 0.000 0.994 260 V HN 0.528 nan 8.190 nan 0.000 0.431 261 V N 4.968 124.885 119.914 0.005 0.000 2.326 261 V HA 0.422 4.542 4.120 -0.000 0.000 0.281 261 V C -0.489 175.632 176.094 0.045 0.000 1.015 261 V CA -0.795 61.515 62.300 0.018 0.000 0.823 261 V CB 1.665 33.495 31.823 0.012 0.000 1.009 261 V HN 0.962 nan 8.190 nan 0.000 0.436 262 D N 4.037 124.478 120.400 0.068 0.000 2.175 262 D HA 0.322 4.962 4.640 -0.000 0.000 0.248 262 D C 0.166 176.492 176.300 0.044 0.000 1.047 262 D CA -0.479 53.552 54.000 0.051 0.000 0.883 262 D CB 1.576 42.407 40.800 0.051 0.000 1.180 262 D HN 0.420 nan 8.370 nan 0.000 0.438 263 E N 0.413 120.617 120.200 0.006 0.000 2.358 263 E HA -0.182 4.168 4.350 -0.000 0.000 0.246 263 E C 0.802 177.396 176.600 -0.010 0.000 1.127 263 E CA 0.784 57.171 56.400 -0.022 0.000 0.726 263 E CB -1.938 27.758 29.700 -0.007 0.000 1.272 263 E HN 0.688 nan 8.360 nan 0.000 0.390 264 A N 0.144 122.963 122.820 -0.002 0.000 2.019 264 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 264 A C 2.380 179.950 177.584 -0.022 0.000 1.164 264 A CA 1.849 53.925 52.037 0.065 0.000 0.644 264 A CB -0.165 18.935 19.000 0.166 0.000 0.805 264 A HN 0.537 nan 8.150 nan 0.000 0.449 265 A N -0.212 122.416 122.820 -0.321 0.000 2.019 265 A HA 0.209 4.529 4.320 -0.000 0.000 0.219 265 A C 2.204 179.714 177.584 -0.123 0.000 1.164 265 A CA 1.628 53.337 52.037 -0.546 0.000 0.644 265 A CB -0.662 18.047 19.000 -0.484 0.000 0.805 265 A HN 1.061 nan 8.150 nan 0.000 0.449 266 A N -1.028 121.766 122.820 -0.043 0.000 2.238 266 A HA 0.431 4.751 4.320 -0.000 0.000 0.208 266 A C 0.635 178.241 177.584 0.037 0.000 1.177 266 A CA 0.040 52.098 52.037 0.035 0.000 0.804 266 A CB -0.371 18.659 19.000 0.049 0.000 0.823 266 A HN 0.430 nan 8.150 nan 0.000 0.482 267 I N 1.505 122.117 120.570 0.069 0.000 2.412 267 I HA 0.272 4.442 4.170 -0.000 0.000 0.296 267 I C -2.203 173.990 176.117 0.126 0.000 0.987 267 I CA -2.702 58.653 61.300 0.093 0.000 1.180 267 I CB 1.903 39.971 38.000 0.115 0.000 1.340 267 I HN -0.005 nan 8.210 nan 0.000 0.455 268 P HA -0.063 nan 4.420 nan 0.000 0.260 268 P C 0.413 177.802 177.300 0.148 0.000 1.185 268 P CA 0.171 63.324 63.100 0.087 0.000 0.763 268 P CB 0.861 32.581 31.700 0.033 0.000 0.776 269 A N 7.953 130.894 122.820 0.201 0.000 1.903 269 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 269 A C -0.184 177.548 177.584 0.247 0.000 1.191 269 A CA 1.848 54.019 52.037 0.223 0.000 0.638 269 A CB -2.342 16.799 19.000 0.236 0.000 0.823 269 A HN 0.467 nan 8.150 nan 0.000 0.451 270 P HA -0.147 nan 4.420 nan 0.000 0.216 270 P C 1.650 179.020 177.300 0.116 0.000 1.150 270 P CA 1.192 64.366 63.100 0.123 0.000 0.837 270 P CB -0.151 31.578 31.700 0.049 0.000 0.786 271 L N -0.692 120.588 121.223 0.096 0.000 2.056 271 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 271 L C 2.423 179.356 176.870 0.104 0.000 1.078 271 L CA 1.480 56.369 54.840 0.082 0.000 0.749 271 L CB -1.734 40.363 42.059 0.064 0.000 0.901 271 L HN -0.161 nan 8.230 nan 0.000 0.433 272 L N -0.681 120.612 121.223 0.118 0.000 2.017 272 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 272 L C 2.409 179.357 176.870 0.131 0.000 1.073 272 L CA 1.949 56.862 54.840 0.121 0.000 0.745 272 L CB -0.925 41.226 42.059 0.154 0.000 0.894 272 L HN 0.423 nan 8.230 nan 0.000 0.432 273 H N -1.489 117.654 119.070 0.122 0.000 2.421 273 H HA -0.160 4.396 4.556 -0.000 0.000 0.298 273 H C 2.233 177.598 175.328 0.061 0.000 1.087 273 H CA 1.705 57.784 56.048 0.053 0.000 1.330 273 H CB 0.144 29.811 29.762 -0.159 0.000 1.388 273 H HN 0.500 nan 8.280 nan 0.000 0.526 274 Q N 0.319 120.216 119.800 0.161 0.000 2.049 274 Q HA -0.081 4.259 4.340 -0.000 0.000 0.198 274 Q C 2.085 178.142 176.000 0.094 0.000 0.971 274 Q CA 0.778 56.637 55.803 0.094 0.000 0.833 274 Q CB 0.100 28.876 28.738 0.063 0.000 0.896 274 Q HN 0.455 nan 8.270 nan 0.000 0.434 275 L N -0.188 121.111 121.223 0.126 0.000 2.012 275 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 275 L C 2.397 179.422 176.870 0.258 0.000 1.073 275 L CA 0.951 55.900 54.840 0.182 0.000 0.748 275 L CB -0.507 41.665 42.059 0.189 0.000 0.891 275 L HN 0.167 nan 8.230 nan 0.000 0.431 276 V N 0.105 120.155 119.914 0.226 0.000 2.332 276 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 276 V C 2.599 178.794 176.094 0.168 0.000 1.055 276 V CA 2.110 64.546 62.300 0.226 0.000 1.038 276 V CB -0.592 31.357 31.823 0.209 0.000 0.651 276 V HN 0.667 nan 8.190 nan 0.000 0.450 277 S N -0.320 115.444 115.700 0.107 0.000 2.547 277 S HA -0.105 4.365 4.470 -0.000 0.000 0.235 277 S C 1.821 176.389 174.600 -0.054 0.000 0.980 277 S CA 0.820 59.041 58.200 0.035 0.000 0.941 277 S CB -0.413 62.802 63.200 0.026 0.000 0.763 277 S HN 0.618 nan 8.310 nan 0.000 0.532 278 R N -0.599 119.822 120.500 -0.131 0.000 2.254 278 R HA 0.314 4.654 4.340 -0.000 0.000 0.195 278 R C -0.770 175.135 176.300 -0.659 0.000 0.957 278 R CA 0.268 56.114 56.100 -0.424 0.000 1.024 278 R CB 0.161 30.081 30.300 -0.633 0.000 0.952 278 R HN 0.425 nan 8.270 nan 0.000 0.484 279 F N 0.545 120.472 119.950 -0.038 0.000 2.495 279 F HA 0.314 4.841 4.527 -0.000 0.000 0.327 279 F C -1.339 174.393 175.800 -0.114 0.000 1.103 279 F CA -2.822 55.138 58.000 -0.068 0.000 0.949 279 F CB 1.493 40.456 39.000 -0.062 0.000 1.142 279 F HN -0.237 nan 8.300 nan 0.000 0.457 280 P HA -0.129 nan 4.420 nan 0.000 0.216 280 P C -0.156 177.015 177.300 -0.215 0.000 1.150 280 P CA 1.375 64.420 63.100 -0.091 0.000 0.837 280 P CB 0.478 32.120 31.700 -0.097 0.000 0.786 281 R N -1.362 118.906 120.500 -0.387 0.000 2.673 281 R HA 0.596 4.936 4.340 -0.000 0.000 0.281 281 R C -0.772 175.194 176.300 -0.557 0.000 0.991 281 R CA -0.369 55.274 56.100 -0.762 0.000 0.896 281 R CB 2.243 31.465 30.300 -1.797 0.000 1.201 281 R HN -0.180 nan 8.270 nan 0.000 0.457 282 T N 2.644 117.002 114.554 -0.327 0.000 2.886 282 T HA 0.367 4.717 4.350 -0.000 0.000 0.292 282 T C -1.508 173.277 174.700 0.141 0.000 1.012 282 T CA -0.622 61.457 62.100 -0.036 0.000 0.982 282 T CB 1.604 70.447 68.868 -0.042 0.000 1.018 282 T HN 0.240 nan 8.240 nan 0.000 0.451 283 L N 4.282 125.666 121.223 0.269 0.000 2.305 283 L HA 0.721 5.061 4.340 -0.000 0.000 0.284 283 L C -1.751 175.176 176.870 0.096 0.000 1.013 283 L CA -0.713 54.276 54.840 0.248 0.000 0.819 283 L CB 0.749 42.960 42.059 0.253 0.000 1.227 283 L HN 0.406 nan 8.230 nan 0.000 0.417 284 L N 4.566 125.826 121.223 0.061 0.000 2.322 284 L HA 0.737 5.077 4.340 -0.000 0.000 0.281 284 L C 0.264 177.167 176.870 0.055 0.000 1.014 284 L CA -0.082 54.777 54.840 0.033 0.000 0.815 284 L CB 1.773 43.822 42.059 -0.017 0.000 1.247 284 L HN 0.834 nan 8.230 nan 0.000 0.421 285 T N -0.838 113.739 114.554 0.038 0.000 2.924 285 T HA 0.853 5.203 4.350 -0.000 0.000 0.291 285 T C -0.387 174.310 174.700 -0.006 0.000 1.045 285 T CA -0.691 61.422 62.100 0.020 0.000 1.015 285 T CB 2.086 70.955 68.868 0.003 0.000 1.103 285 T HN 0.611 nan 8.240 nan 0.000 0.496 286 T N 0.812 115.350 114.554 -0.027 0.000 3.291 286 T HA 0.524 4.874 4.350 -0.000 0.000 0.344 286 T C -0.497 174.157 174.700 -0.077 0.000 1.293 286 T CA -0.220 61.839 62.100 -0.068 0.000 1.108 286 T CB 1.349 70.158 68.868 -0.099 0.000 1.231 286 T HN 1.279 nan 8.240 nan 0.000 0.474 287 T N 1.431 115.922 114.554 -0.106 0.000 2.889 287 T HA 0.624 4.974 4.350 -0.000 0.000 0.291 287 T C 0.079 174.697 174.700 -0.137 0.000 0.995 287 T CA -0.617 61.412 62.100 -0.119 0.000 1.092 287 T CB 1.276 70.053 68.868 -0.152 0.000 0.954 287 T HN 0.752 nan 8.240 nan 0.000 0.506 288 V N 4.625 124.468 119.914 -0.119 0.000 2.394 288 V HA 0.510 4.630 4.120 -0.000 0.000 0.282 288 V C 0.195 176.198 176.094 -0.152 0.000 1.031 288 V CA 0.107 62.334 62.300 -0.122 0.000 0.881 288 V CB 0.315 32.091 31.823 -0.079 0.000 0.982 288 V HN 1.408 nan 8.190 nan 0.000 0.451 289 Q N 4.684 124.374 119.800 -0.182 0.000 0.711 289 Q HA 0.051 4.391 4.340 -0.000 0.000 0.342 289 Q C 0.355 176.087 176.000 -0.447 0.000 1.068 289 Q CA 2.649 58.315 55.803 -0.228 0.000 0.397 289 Q CB -1.322 27.354 28.738 -0.104 0.000 5.352 289 Q HN 2.692 nan 8.270 nan 0.000 0.379 290 G N -1.623 106.621 108.800 -0.927 0.000 2.750 290 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.228 290 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.228 290 G C -0.712 173.701 174.900 -0.811 0.000 1.367 290 G CA 0.326 44.434 45.100 -1.654 0.000 0.871 290 G HN 1.710 nan 8.290 nan 0.000 0.560 291 Y N -0.096 119.921 120.300 -0.471 0.000 2.442 291 Y HA 0.565 5.115 4.550 0.000 0.000 0.330 291 Y C 0.950 176.786 175.900 -0.106 0.000 1.129 291 Y CA 0.067 58.101 58.100 -0.111 0.000 1.365 291 Y CB 0.486 38.988 38.460 0.070 0.000 1.233 291 Y HN 0.964 nan 8.280 nan 0.000 0.529 292 E N 2.117 122.239 120.200 -0.130 0.000 2.222 292 E HA -0.214 4.136 4.350 -0.000 0.000 0.189 292 E C 0.180 176.593 176.600 -0.311 0.000 1.415 292 E CA 0.602 56.882 56.400 -0.200 0.000 0.689 292 E CB -1.242 28.380 29.700 -0.130 0.000 1.107 292 E HN 1.056 nan 8.360 nan 0.000 0.350 293 G N 0.134 108.754 108.800 -0.301 0.000 3.217 293 G HA2 0.785 4.745 3.960 -0.000 0.000 0.213 293 G HA3 0.785 4.745 3.960 -0.000 0.000 0.213 293 G C -0.259 174.471 174.900 -0.283 0.000 1.294 293 G CA 0.254 45.179 45.100 -0.292 0.000 0.987 293 G HN 0.212 nan 8.290 nan 0.000 0.584 294 T N -3.016 111.387 114.554 -0.252 0.000 2.906 294 T HA 0.641 4.991 4.350 -0.000 0.000 0.295 294 T C 0.304 174.886 174.700 -0.196 0.000 1.061 294 T CA 0.054 61.988 62.100 -0.277 0.000 1.000 294 T CB 1.521 70.230 68.868 -0.265 0.000 1.103 294 T HN 1.101 nan 8.240 nan 0.000 0.486 295 G N 0.779 109.474 108.800 -0.174 0.000 2.441 295 G HA2 0.292 4.252 3.960 -0.000 0.000 0.243 295 G HA3 0.292 4.252 3.960 -0.000 0.000 0.243 295 G C 0.668 175.443 174.900 -0.208 0.000 1.281 295 G CA -0.606 44.400 45.100 -0.156 0.000 0.854 295 G HN 0.986 nan 8.290 nan 0.000 0.560 296 R N 1.294 121.533 120.500 -0.435 0.000 2.081 296 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 296 R C 2.647 178.586 176.300 -0.601 0.000 1.131 296 R CA 1.714 57.519 56.100 -0.491 0.000 0.960 296 R CB -0.532 29.432 30.300 -0.559 0.000 0.856 296 R HN 0.628 nan 8.270 nan 0.000 0.436 297 G N 0.105 108.240 108.800 -1.108 0.000 2.418 297 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 297 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 297 G C 1.251 176.089 174.900 -0.102 0.000 1.158 297 G CA 0.628 45.419 45.100 -0.514 0.000 0.771 297 G HN 0.402 nan 8.290 nan 0.000 0.545 298 F N 0.672 120.521 119.950 -0.168 0.000 2.134 298 F HA -0.006 4.521 4.527 0.000 0.000 0.299 298 F C 2.360 178.161 175.800 0.001 0.000 1.097 298 F CA 0.813 58.790 58.000 -0.037 0.000 1.264 298 F CB -0.089 38.895 39.000 -0.028 0.000 1.001 298 F HN -0.004 nan 8.300 nan 0.000 0.479 299 L N -0.058 121.249 121.223 0.140 0.000 2.043 299 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 299 L C 2.428 179.344 176.870 0.076 0.000 1.075 299 L CA 1.542 56.449 54.840 0.112 0.000 0.752 299 L CB -1.524 40.559 42.059 0.040 0.000 0.891 299 L HN 0.247 nan 8.230 nan 0.000 0.432 300 L N 0.124 121.343 121.223 -0.007 0.000 2.013 300 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 300 L C 2.689 179.548 176.870 -0.019 0.000 1.073 300 L CA 1.940 56.777 54.840 -0.006 0.000 0.753 300 L CB -0.852 41.199 42.059 -0.013 0.000 0.890 300 L HN 0.329 nan 8.230 nan 0.000 0.432 301 K N -1.237 119.115 120.400 -0.080 0.000 2.097 301 K HA -0.240 4.080 4.320 -0.000 0.000 0.205 301 K C 2.354 178.885 176.600 -0.114 0.000 1.050 301 K CA 1.509 57.718 56.287 -0.132 0.000 0.938 301 K CB -0.427 31.942 32.500 -0.219 0.000 0.718 301 K HN 0.202 nan 8.250 nan 0.000 0.442 302 F N 1.927 121.703 119.950 -0.290 0.000 2.075 302 F HA -0.236 4.291 4.527 0.000 0.000 0.297 302 F C 2.248 178.097 175.800 0.081 0.000 1.113 302 F CA 1.675 59.587 58.000 -0.147 0.000 1.218 302 F CB -0.644 38.302 39.000 -0.091 0.000 0.984 302 F HN 0.098 nan 8.300 nan 0.000 0.472 303 C N 0.760 120.171 119.300 0.186 0.000 2.413 303 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 303 C C 3.136 178.158 174.990 0.052 0.000 1.265 303 C CA 1.053 60.153 59.018 0.135 0.000 1.752 303 C CB -1.948 25.861 27.740 0.115 0.000 1.998 303 C HN 0.644 nan 8.230 nan 0.000 0.489 304 A N 0.428 123.236 122.820 -0.019 0.000 2.076 304 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 304 A C 2.051 179.557 177.584 -0.129 0.000 1.160 304 A CA 1.433 53.427 52.037 -0.072 0.000 0.653 304 A CB -0.348 18.604 19.000 -0.080 0.000 0.801 304 A HN 0.534 nan 8.150 nan 0.000 0.455 305 R N -1.345 119.043 120.500 -0.187 0.000 2.316 305 R HA 0.102 4.442 4.340 -0.000 0.000 0.202 305 R C -0.766 175.275 176.300 -0.431 0.000 1.029 305 R CA 0.131 56.036 56.100 -0.326 0.000 1.018 305 R CB -0.668 29.421 30.300 -0.352 0.000 0.888 305 R HN 0.514 nan 8.270 nan 0.000 0.471 306 F N 2.879 122.770 119.950 -0.099 0.000 2.347 306 F HA 0.326 4.853 4.527 -0.000 0.000 0.366 306 F C -1.779 173.928 175.800 -0.155 0.000 1.107 306 F CA -2.914 55.028 58.000 -0.097 0.000 1.058 306 F CB 1.438 40.345 39.000 -0.156 0.000 1.236 306 F HN -0.169 nan 8.300 nan 0.000 0.456 307 P HA 0.028 nan 4.420 nan 0.000 0.271 307 P C -0.347 176.796 177.300 -0.262 0.000 1.220 307 P CA 0.333 63.264 63.100 -0.282 0.000 0.768 307 P CB 0.536 32.050 31.700 -0.311 0.000 0.848 308 H N -0.953 118.059 119.070 -0.096 0.000 2.903 308 H HA -0.126 4.430 4.556 -0.000 0.000 0.285 308 H C 0.269 175.375 175.328 -0.370 0.000 1.231 308 H CA 0.073 56.008 56.048 -0.189 0.000 1.135 308 H CB -1.759 27.922 29.762 -0.135 0.000 1.328 308 H HN 0.391 nan 8.280 nan 0.000 0.388 309 L N 2.161 123.260 121.223 -0.208 0.000 2.416 309 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 309 L C 0.414 177.055 176.870 -0.382 0.000 1.161 309 L CA 0.299 54.996 54.840 -0.238 0.000 0.845 309 L CB 0.132 42.139 42.059 -0.086 0.000 1.119 309 L HN 0.236 nan 8.230 nan 0.000 0.464 310 H N 5.006 124.008 119.070 -0.113 0.000 2.690 310 H HA 0.393 4.949 4.556 -0.000 0.000 0.289 310 H C -0.298 174.684 175.328 -0.578 0.000 1.089 310 H CA -0.458 55.396 56.048 -0.323 0.000 1.299 310 H CB 0.512 30.144 29.762 -0.215 0.000 1.405 310 H HN 0.398 nan 8.280 nan 0.000 0.463 311 R N 2.994 123.218 120.500 -0.460 0.000 2.357 311 R HA 0.331 4.671 4.340 -0.000 0.000 0.296 311 R C -0.988 174.962 176.300 -0.585 0.000 1.052 311 R CA -0.291 55.586 56.100 -0.371 0.000 0.988 311 R CB 0.672 30.877 30.300 -0.158 0.000 1.025 311 R HN 0.386 nan 8.270 nan 0.000 0.469 312 F N 0.306 120.288 119.950 0.053 0.000 2.603 312 F HA 0.401 4.928 4.527 -0.000 0.000 0.317 312 F C 0.219 176.030 175.800 0.018 0.000 1.066 312 F CA -0.892 57.129 58.000 0.036 0.000 0.941 312 F CB 1.952 40.971 39.000 0.032 0.000 1.291 312 F HN 0.354 nan 8.300 nan 0.000 0.472 313 E N 1.164 121.491 120.200 0.212 0.000 2.392 313 E HA 0.705 5.055 4.350 -0.000 0.000 0.269 313 E C -1.875 174.766 176.600 0.069 0.000 0.924 313 E CA -1.144 55.319 56.400 0.106 0.000 0.784 313 E CB 3.076 32.819 29.700 0.071 0.000 1.292 313 E HN 0.213 nan 8.360 nan 0.000 0.447 314 L N 1.764 123.004 121.223 0.029 0.000 2.409 314 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 314 L C -0.000 176.867 176.870 -0.005 0.000 0.980 314 L CA -0.123 54.714 54.840 -0.004 0.000 0.826 314 L CB 1.799 43.838 42.059 -0.034 0.000 1.268 314 L HN 0.570 nan 8.230 nan 0.000 0.407 315 Q N 1.168 120.965 119.800 -0.005 0.000 2.422 315 Q HA 0.201 4.541 4.340 -0.000 0.000 0.255 315 Q C 0.081 176.077 176.000 -0.008 0.000 0.864 315 Q CA 0.476 56.282 55.803 0.005 0.000 0.968 315 Q CB 0.510 29.261 28.738 0.022 0.000 1.130 315 Q HN 0.635 nan 8.270 nan 0.000 0.556 316 Q N 2.770 122.556 119.800 -0.022 0.000 2.293 316 Q HA 0.205 4.545 4.340 -0.000 0.000 0.263 316 Q C -2.225 173.712 176.000 -0.105 0.000 1.002 316 Q CA -2.179 53.604 55.803 -0.033 0.000 0.910 316 Q CB 0.931 29.660 28.738 -0.016 0.000 1.185 316 Q HN 0.141 nan 8.270 nan 0.000 0.401 317 P HA -0.033 nan 4.420 nan 0.000 0.271 317 P C -0.040 177.022 177.300 -0.397 0.000 1.216 317 P CA 0.071 62.905 63.100 -0.443 0.000 0.776 317 P CB 0.912 32.160 31.700 -0.752 0.000 0.881 318 I N 2.028 122.347 120.570 -0.419 0.000 3.035 318 I HA 0.102 4.272 4.170 -0.000 0.000 0.271 318 I C 1.608 177.695 176.117 -0.051 0.000 1.190 318 I CA 0.786 61.975 61.300 -0.185 0.000 1.472 318 I CB -0.149 37.763 38.000 -0.147 0.000 1.116 318 I HN 0.119 nan 8.210 nan 0.000 0.443 319 R N 0.060 120.390 120.500 -0.283 0.000 2.359 319 R HA 0.219 4.559 4.340 -0.000 0.000 0.231 319 R C -1.166 175.173 176.300 0.065 0.000 0.913 319 R CA 0.198 56.317 56.100 0.032 0.000 1.075 319 R CB 0.101 30.443 30.300 0.071 0.000 1.087 319 R HN 0.603 nan 8.270 nan 0.000 0.515 320 W N -2.583 118.626 121.300 -0.152 0.000 3.059 320 W HA 0.598 5.258 4.660 0.000 0.000 0.329 320 W C -1.616 174.607 176.519 -0.494 0.000 1.246 320 W CA -1.575 55.373 57.345 -0.662 0.000 1.190 320 W CB 0.136 29.325 29.460 -0.452 0.000 1.423 320 W HN -0.234 nan 8.180 nan 0.000 0.571 321 A N 1.666 124.188 122.820 -0.496 0.000 2.425 321 A HA 0.362 4.682 4.320 -0.000 0.000 0.249 321 A C 0.129 177.765 177.584 0.087 0.000 1.084 321 A CA -0.437 51.505 52.037 -0.158 0.000 0.781 321 A CB 0.501 19.385 19.000 -0.192 0.000 1.019 321 A HN 0.748 nan 8.150 nan 0.000 0.490 322 Q N 1.035 120.895 119.800 0.100 0.000 2.263 322 Q HA 0.391 4.731 4.340 -0.000 0.000 0.270 322 Q C 0.888 176.942 176.000 0.090 0.000 1.104 322 Q CA 1.121 56.989 55.803 0.108 0.000 0.909 322 Q CB -0.138 28.649 28.738 0.082 0.000 1.214 322 Q HN 1.399 nan 8.270 nan 0.000 0.400 323 G N 2.749 111.606 108.800 0.095 0.000 2.425 323 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.177 323 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.177 323 G C 0.041 174.935 174.900 -0.010 0.000 0.999 323 G CA -0.307 44.817 45.100 0.040 0.000 0.723 323 G HN 0.815 nan 8.290 nan 0.000 0.491 324 C N 4.006 123.298 119.300 -0.013 0.000 2.271 324 C HA 0.305 4.765 4.460 -0.000 0.000 0.397 324 C C 0.702 175.598 174.990 -0.156 0.000 1.533 324 C CA 0.188 59.117 59.018 -0.148 0.000 1.433 324 C CB 0.472 28.045 27.740 -0.279 0.000 2.511 324 C HN 0.420 nan 8.230 nan 0.000 0.610 325 P HA -0.107 nan 4.420 nan 0.000 0.226 325 P C 1.400 178.612 177.300 -0.146 0.000 1.153 325 P CA 0.851 63.864 63.100 -0.145 0.000 0.777 325 P CB 0.025 31.618 31.700 -0.178 0.000 0.794 326 L N 0.982 122.072 121.223 -0.223 0.000 2.044 326 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 326 L C 2.514 179.266 176.870 -0.197 0.000 1.075 326 L CA 1.901 56.610 54.840 -0.219 0.000 0.747 326 L CB -1.378 40.483 42.059 -0.329 0.000 0.903 326 L HN -0.130 nan 8.230 nan 0.000 0.435 327 E N 0.031 120.080 120.200 -0.251 0.000 2.110 327 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 327 E C 1.262 177.857 176.600 -0.008 0.000 0.988 327 E CA 0.616 56.934 56.400 -0.137 0.000 0.804 327 E CB -0.042 29.603 29.700 -0.092 0.000 0.745 327 E HN 0.473 nan 8.360 nan 0.000 0.458 331 S N 0.281 115.962 115.700 -0.032 0.000 2.382 331 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 331 S C 1.595 176.142 174.600 -0.089 0.000 1.027 331 S CA 2.463 60.636 58.200 -0.046 0.000 0.991 331 S CB -0.014 63.292 63.200 0.178 0.000 0.823 331 S HN 0.715 nan 8.310 nan 0.000 0.469 332 E N 0.682 120.868 120.200 -0.022 0.000 2.076 332 E HA 0.044 4.394 4.350 -0.000 0.000 0.190 332 E C 2.448 179.079 176.600 0.050 0.000 0.979 332 E CA 0.881 57.291 56.400 0.016 0.000 0.807 332 E CB -0.310 29.388 29.700 -0.003 0.000 0.761 332 E HN 0.611 nan 8.360 nan 0.000 0.454 333 A N 0.798 123.603 122.820 -0.025 0.000 1.972 333 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 333 A C 1.842 179.457 177.584 0.052 0.000 1.169 333 A CA 1.127 53.164 52.037 -0.000 0.000 0.635 333 A CB -0.062 18.883 19.000 -0.091 0.000 0.810 333 A HN 0.103 nan 8.150 nan 0.000 0.446 334 L N -0.948 120.158 121.223 -0.196 0.000 2.640 334 L HA 0.184 4.524 4.340 -0.000 0.000 0.230 334 L C 0.482 177.163 176.870 -0.315 0.000 1.123 334 L CA 0.289 54.911 54.840 -0.362 0.000 0.900 334 L CB 0.308 41.930 42.059 -0.728 0.000 1.146 334 L HN 0.194 nan 8.230 nan 0.000 0.484 335 V N 0.239 120.062 119.914 -0.151 0.000 6.078 335 V HA -0.279 3.841 4.120 -0.000 0.000 0.301 335 V C 1.061 177.355 176.094 0.332 0.000 0.571 335 V CA 0.564 62.926 62.300 0.104 0.000 0.625 335 V CB -2.614 29.309 31.823 0.167 0.000 0.271 335 V HN 0.190 nan 8.190 nan 0.000 0.788 336 F N 0.395 120.464 119.950 0.197 0.000 2.776 336 F HA 0.171 4.698 4.527 0.000 0.000 0.300 336 F C 1.565 177.453 175.800 0.146 0.000 1.116 336 F CA -0.315 57.787 58.000 0.170 0.000 1.375 336 F CB -0.115 38.974 39.000 0.148 0.000 1.109 336 F HN 0.663 nan 8.300 nan 0.000 0.585 337 D N 0.852 121.442 120.400 0.316 0.000 2.382 337 D HA 0.057 4.697 4.640 -0.000 0.000 0.245 337 D C -0.252 176.187 176.300 0.231 0.000 1.120 337 D CA 0.074 54.214 54.000 0.233 0.000 0.890 337 D CB 1.490 42.400 40.800 0.184 0.000 1.201 337 D HN 0.254 nan 8.370 nan 0.000 0.433 338 D N 0.198 120.726 120.400 0.214 0.000 2.837 338 D HA -0.002 4.638 4.640 -0.000 0.000 0.340 338 D C 0.484 176.954 176.300 0.282 0.000 1.451 338 D CA -0.386 53.786 54.000 0.287 0.000 0.798 338 D CB 0.158 41.120 40.800 0.270 0.000 1.169 338 D HN 0.177 nan 8.370 nan 0.000 0.449 339 E N 1.192 121.501 120.200 0.183 0.000 2.333 339 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 339 E C 1.668 178.320 176.600 0.086 0.000 1.007 339 E CA 0.442 56.912 56.400 0.117 0.000 0.845 339 E CB -0.143 29.617 29.700 0.101 0.000 0.766 339 E HN 0.634 nan 8.360 nan 0.000 0.507 340 N N 0.425 119.196 118.700 0.119 0.000 2.223 340 N HA -0.189 4.551 4.740 -0.000 0.000 0.185 340 N C 1.558 177.072 175.510 0.008 0.000 1.016 340 N CA 0.834 53.921 53.050 0.061 0.000 0.863 340 N CB -0.863 37.594 38.487 -0.051 0.000 0.983 340 N HN 0.154 nan 8.380 nan 0.000 0.429 341 F N 1.243 121.220 119.950 0.045 0.000 2.641 341 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 341 F C 2.279 178.090 175.800 0.018 0.000 1.146 341 F CA 0.771 58.747 58.000 -0.040 0.000 1.464 341 F CB -0.196 38.751 39.000 -0.089 0.000 1.101 341 F HN 0.064 nan 8.300 nan 0.000 0.585 342 T N -2.369 112.227 114.554 0.070 0.000 2.976 342 T HA 0.002 4.352 4.350 -0.000 0.000 0.257 342 T C 0.684 175.326 174.700 -0.097 0.000 1.051 342 T CA 0.546 62.598 62.100 -0.081 0.000 1.141 342 T CB -0.096 68.595 68.868 -0.294 0.000 0.881 342 T HN 0.028 nan 8.240 nan 0.000 0.461 343 H N 1.355 120.496 119.070 0.119 0.000 2.505 343 H HA 0.371 4.927 4.556 -0.000 0.000 0.351 343 H C -0.182 175.142 175.328 -0.007 0.000 1.151 343 H CA 0.142 56.220 56.048 0.050 0.000 1.339 343 H CB 0.609 30.380 29.762 0.015 0.000 1.483 343 H HN -0.003 nan 8.280 nan 0.000 0.558 344 T N 5.759 120.343 114.554 0.051 0.000 2.753 344 T HA 0.199 4.549 4.350 -0.000 0.000 0.297 344 T C -2.259 172.322 174.700 -0.198 0.000 0.981 344 T CA -1.368 60.648 62.100 -0.141 0.000 0.956 344 T CB 0.942 69.782 68.868 -0.046 0.000 0.936 344 T HN 0.386 nan 8.240 nan 0.000 0.463 345 P HA 0.044 nan 4.420 nan 0.000 0.265 345 P C -0.543 176.674 177.300 -0.138 0.000 1.193 345 P CA -0.240 62.727 63.100 -0.223 0.000 0.765 345 P CB 0.720 32.264 31.700 -0.259 0.000 0.823 346 Q N 1.397 121.141 119.800 -0.092 0.000 2.248 346 Q HA 0.566 4.906 4.340 -0.000 0.000 0.263 346 Q C 0.971 176.942 176.000 -0.048 0.000 1.007 346 Q CA -0.138 55.628 55.803 -0.063 0.000 0.877 346 Q CB 1.693 30.400 28.738 -0.052 0.000 1.315 346 Q HN 0.835 nan 8.270 nan 0.000 0.454 347 G N 1.947 110.725 108.800 -0.036 0.000 2.645 347 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.239 347 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.239 347 G C -0.549 174.339 174.900 -0.020 0.000 1.331 347 G CA -0.397 44.687 45.100 -0.026 0.000 0.890 347 G HN 0.713 nan 8.290 nan 0.000 0.572 348 N N 0.155 118.848 118.700 -0.013 0.000 2.492 348 N HA 0.344 5.084 4.740 -0.000 0.000 0.262 348 N C 0.321 175.829 175.510 -0.003 0.000 1.202 348 N CA -0.595 52.452 53.050 -0.005 0.000 0.926 348 N CB 0.543 39.029 38.487 -0.001 0.000 1.078 348 N HN 0.396 nan 8.380 nan 0.000 0.454 349 I N 2.640 123.213 120.570 0.005 0.000 2.395 349 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 349 I C 0.114 176.247 176.117 0.026 0.000 1.023 349 I CA -0.282 61.026 61.300 0.013 0.000 1.350 349 I CB 0.883 38.896 38.000 0.020 0.000 1.409 349 I HN 0.206 nan 8.210 nan 0.000 0.507 350 V N 7.627 127.559 119.914 0.029 0.000 2.409 350 V HA 0.374 4.494 4.120 -0.000 0.000 0.291 350 V C 0.006 176.138 176.094 0.064 0.000 1.020 350 V CA -0.687 61.639 62.300 0.043 0.000 0.848 350 V CB 2.034 33.875 31.823 0.030 0.000 0.990 350 V HN 0.372 nan 8.190 nan 0.000 0.430 351 I N 4.920 125.547 120.570 0.095 0.000 2.396 351 I HA 0.623 4.793 4.170 -0.000 0.000 0.292 351 I C 0.465 176.669 176.117 0.145 0.000 0.999 351 I CA 0.704 62.084 61.300 0.133 0.000 1.310 351 I CB 1.708 39.814 38.000 0.176 0.000 1.404 351 I HN 0.837 nan 8.210 nan 0.000 0.496 352 S N 4.076 119.837 115.700 0.101 0.000 2.596 352 S HA 0.962 5.432 4.470 -0.000 0.000 0.270 352 S C -0.962 173.606 174.600 -0.052 0.000 1.155 352 S CA -0.844 57.338 58.200 -0.030 0.000 0.827 352 S CB 1.612 64.800 63.200 -0.020 0.000 1.130 352 S HN 0.803 nan 8.310 nan 0.000 0.467 353 A N 1.000 123.660 122.820 -0.266 0.000 2.354 353 A HA 1.006 5.326 4.320 -0.000 0.000 0.321 353 A C -0.791 176.825 177.584 0.052 0.000 1.125 353 A CA -0.951 50.999 52.037 -0.145 0.000 0.799 353 A CB 0.721 19.543 19.000 -0.298 0.000 1.293 353 A HN 1.794 nan 8.150 nan 0.000 0.452 354 F N -1.091 118.855 119.950 -0.007 0.000 2.693 354 F HA 0.798 5.325 4.527 -0.000 0.000 0.309 354 F C -0.670 175.214 175.800 0.141 0.000 1.129 354 F CA -0.944 57.064 58.000 0.014 0.000 0.948 354 F CB 1.077 40.046 39.000 -0.051 0.000 1.315 354 F HN 0.438 nan 8.300 nan 0.000 0.447 355 E N 0.541 120.943 120.200 0.336 0.000 2.259 355 E HA 0.177 4.527 4.350 -0.000 0.000 0.257 355 E C 0.184 177.028 176.600 0.408 0.000 0.998 355 E CA -0.714 55.846 56.400 0.268 0.000 0.866 355 E CB 1.395 31.211 29.700 0.192 0.000 1.220 355 E HN 0.933 nan 8.360 nan 0.000 0.415 356 Q N 0.301 120.330 119.800 0.381 0.000 2.364 356 Q HA -0.129 4.211 4.340 -0.000 0.000 0.209 356 Q C 1.276 177.449 176.000 0.288 0.000 0.977 356 Q CA 1.748 57.838 55.803 0.477 0.000 0.885 356 Q CB -0.056 28.957 28.738 0.459 0.000 0.941 356 Q HN 0.674 nan 8.270 nan 0.000 0.464 357 T N -1.818 112.868 114.554 0.220 0.000 2.962 357 T HA -0.077 4.273 4.350 -0.000 0.000 0.270 357 T C 1.742 176.454 174.700 0.020 0.000 1.088 357 T CA 0.443 62.642 62.100 0.164 0.000 1.127 357 T CB -0.186 68.775 68.868 0.156 0.000 0.883 357 T HN 0.276 nan 8.240 nan 0.000 0.493 358 L N -0.959 120.236 121.223 -0.047 0.000 2.127 358 L HA -0.050 4.289 4.340 -0.000 0.000 0.211 358 L C 2.523 179.208 176.870 -0.309 0.000 1.089 358 L CA 1.444 56.157 54.840 -0.211 0.000 0.757 358 L CB -0.561 41.273 42.059 -0.375 0.000 0.899 358 L HN 0.375 nan 8.230 nan 0.000 0.434 359 W N -0.161 120.927 121.300 -0.352 0.000 2.290 359 W HA -0.343 4.316 4.660 -0.000 0.000 0.323 359 W C 2.871 179.219 176.519 -0.286 0.000 1.260 359 W CA 1.304 58.386 57.345 -0.439 0.000 1.266 359 W CB -0.549 28.434 29.460 -0.795 0.000 1.149 359 W HN 0.207 nan 8.180 nan 0.000 0.482 360 Q N 0.615 120.417 119.800 0.004 0.000 2.061 360 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 360 Q C 2.167 178.195 176.000 0.048 0.000 0.984 360 Q CA 2.662 58.547 55.803 0.136 0.000 0.846 360 Q CB -0.567 28.320 28.738 0.250 0.000 0.902 360 Q HN 0.406 nan 8.270 nan 0.000 0.421 361 S N -1.354 114.345 115.700 -0.002 0.000 2.492 361 S HA 0.028 4.498 4.470 -0.000 0.000 0.218 361 S C 0.333 174.889 174.600 -0.073 0.000 1.016 361 S CA 0.489 58.672 58.200 -0.029 0.000 0.916 361 S CB 0.462 63.647 63.200 -0.026 0.000 0.791 361 S HN 0.273 nan 8.310 nan 0.000 0.513 362 D N 1.289 121.610 120.400 -0.132 0.000 2.978 362 D HA 0.276 4.916 4.640 -0.000 0.000 0.268 362 D C -2.141 173.999 176.300 -0.268 0.000 1.252 362 D CA -1.571 52.320 54.000 -0.181 0.000 0.771 362 D CB 1.177 41.848 40.800 -0.215 0.000 1.361 362 D HN 0.019 nan 8.370 nan 0.000 0.558 363 P HA -0.163 nan 4.420 nan 0.000 0.219 363 P C 1.135 178.293 177.300 -0.237 0.000 1.146 363 P CA 0.794 63.799 63.100 -0.158 0.000 0.808 363 P CB 0.597 32.349 31.700 0.087 0.000 0.779 364 E N -0.247 119.841 120.200 -0.186 0.000 2.110 364 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 364 E C 2.174 178.607 176.600 -0.278 0.000 0.988 364 E CA 1.944 58.242 56.400 -0.170 0.000 0.804 364 E CB -1.023 28.606 29.700 -0.119 0.000 0.745 364 E HN 0.406 nan 8.360 nan 0.000 0.458 365 T N -0.062 114.242 114.554 -0.417 0.000 2.737 365 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 365 T C -0.906 173.395 174.700 -0.666 0.000 1.038 365 T CA 1.183 62.970 62.100 -0.522 0.000 1.144 365 T CB -0.847 67.629 68.868 -0.654 0.000 0.866 365 T HN 0.022 nan 8.240 nan 0.000 0.434 366 P HA 0.055 nan 4.420 nan 0.000 0.222 366 P C 1.698 178.586 177.300 -0.685 0.000 1.153 366 P CA 0.412 62.814 63.100 -1.162 0.000 0.798 366 P CB -0.145 30.110 31.700 -2.407 0.000 0.796 367 L N 0.804 121.759 121.223 -0.447 0.000 2.005 367 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 367 L C 2.471 179.357 176.870 0.027 0.000 1.072 367 L CA 1.920 56.756 54.840 -0.006 0.000 0.744 367 L CB -1.466 40.613 42.059 0.034 0.000 0.895 367 L HN -0.085 nan 8.230 nan 0.000 0.433 368 K N -1.132 119.228 120.400 -0.067 0.000 2.097 368 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 368 K C 1.986 178.580 176.600 -0.010 0.000 1.049 368 K CA 1.259 57.529 56.287 -0.028 0.000 0.933 368 K CB -0.355 32.103 32.500 -0.070 0.000 0.717 368 K HN 0.182 nan 8.250 nan 0.000 0.442 369 V N 0.727 120.611 119.914 -0.050 0.000 2.343 369 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 369 V C 2.089 178.219 176.094 0.061 0.000 1.051 369 V CA 1.656 63.960 62.300 0.006 0.000 1.036 369 V CB -0.559 31.271 31.823 0.013 0.000 0.654 369 V HN 0.269 nan 8.190 nan 0.000 0.451 370 Y N 0.753 121.032 120.300 -0.036 0.000 2.224 370 Y HA -0.249 4.301 4.550 0.000 0.000 0.289 370 Y C 2.628 178.593 175.900 0.108 0.000 1.146 370 Y CA 1.888 60.008 58.100 0.034 0.000 1.182 370 Y CB -0.244 38.253 38.460 0.062 0.000 0.983 370 Y HN 0.287 nan 8.280 nan 0.000 0.524 371 Q N -0.611 119.261 119.800 0.119 0.000 2.061 371 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 371 Q C 2.177 178.236 176.000 0.097 0.000 0.984 371 Q CA 1.933 57.798 55.803 0.103 0.000 0.846 371 Q CB -0.365 28.451 28.738 0.130 0.000 0.902 371 Q HN 0.508 nan 8.270 nan 0.000 0.421 372 L N -0.006 121.239 121.223 0.036 0.000 2.023 372 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 372 L C 1.904 178.865 176.870 0.151 0.000 1.073 372 L CA 1.388 56.256 54.840 0.046 0.000 0.745 372 L CB -0.577 41.469 42.059 -0.021 0.000 0.900 372 L HN 0.165 nan 8.230 nan 0.000 0.435 373 L N -0.548 120.724 121.223 0.083 0.000 1.990 373 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 373 L C 2.869 179.758 176.870 0.031 0.000 1.072 373 L CA 2.166 57.072 54.840 0.110 0.000 0.755 373 L CB -1.653 40.511 42.059 0.174 0.000 0.889 373 L HN 0.466 nan 8.230 nan 0.000 0.432 374 S N -0.701 114.880 115.700 -0.198 0.000 2.382 374 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 374 S C 1.993 176.580 174.600 -0.021 0.000 1.027 374 S CA 1.247 59.298 58.200 -0.249 0.000 0.991 374 S CB -0.516 62.284 63.200 -0.667 0.000 0.823 374 S HN 0.534 nan 8.310 nan 0.000 0.469 375 G N -0.236 108.636 108.800 0.119 0.000 2.534 375 G HA2 0.210 4.170 3.960 -0.000 0.000 0.217 375 G HA3 0.210 4.170 3.960 -0.000 0.000 0.217 375 G C 1.283 176.181 174.900 -0.004 0.000 1.128 375 G CA 0.638 45.762 45.100 0.039 0.000 0.784 375 G HN 0.641 nan 8.290 nan 0.000 0.542 376 A N -0.993 121.962 122.820 0.224 0.000 2.238 376 A HA 0.278 4.598 4.320 -0.000 0.000 0.210 376 A C 0.880 178.672 177.584 0.346 0.000 1.179 376 A CA -0.265 51.931 52.037 0.263 0.000 0.827 376 A CB -0.222 18.945 19.000 0.278 0.000 0.856 376 A HN 0.469 nan 8.150 nan 0.000 0.488 377 H N -1.626 117.506 119.070 0.103 0.000 2.505 377 H HA 0.265 4.821 4.556 -0.000 0.000 0.351 377 H C 1.018 176.187 175.328 -0.266 0.000 1.151 377 H CA -0.152 55.910 56.048 0.024 0.000 1.339 377 H CB 0.810 30.546 29.762 -0.043 0.000 1.483 377 H HN 0.452 nan 8.280 nan 0.000 0.558 378 Y N 2.356 122.088 120.300 -0.946 0.000 2.439 378 Y HA 0.074 4.624 4.550 -0.000 0.000 0.292 378 Y C 0.428 175.888 175.900 -0.734 0.000 1.130 378 Y CA 0.183 57.349 58.100 -1.555 0.000 1.254 378 Y CB 0.174 37.647 38.460 -1.645 0.000 1.000 378 Y HN 0.281 nan 8.280 nan 0.000 0.554 379 R N 1.187 120.868 120.500 -1.364 0.000 2.621 379 R HA 0.435 4.775 4.340 -0.000 0.000 0.292 379 R C -1.228 174.867 176.300 -0.341 0.000 0.969 379 R CA -0.287 55.260 56.100 -0.921 0.000 0.887 379 R CB 1.427 31.013 30.300 -1.191 0.000 1.180 379 R HN 0.296 nan 8.270 nan 0.000 0.450 380 T N 0.086 114.503 114.554 -0.229 0.000 2.855 380 T HA 0.655 5.005 4.350 -0.000 0.000 0.281 380 T C -0.570 174.130 174.700 -0.000 0.000 1.007 380 T CA -0.718 61.339 62.100 -0.073 0.000 1.009 380 T CB 1.644 70.461 68.868 -0.085 0.000 0.983 380 T HN 0.546 nan 8.240 nan 0.000 0.455 381 S N 2.312 118.093 115.700 0.135 0.000 2.570 381 S HA 0.433 4.903 4.470 -0.000 0.000 0.286 381 S C -2.604 172.153 174.600 0.262 0.000 1.143 381 S CA -1.051 57.266 58.200 0.195 0.000 0.921 381 S CB 1.943 65.224 63.200 0.135 0.000 1.108 381 S HN 0.489 nan 8.310 nan 0.000 0.456 382 P HA -0.053 nan 4.420 nan 0.000 0.226 382 P C 1.552 178.808 177.300 -0.073 0.000 1.146 382 P CA 0.330 63.516 63.100 0.143 0.000 0.773 382 P CB 0.000 31.807 31.700 0.178 0.000 0.772 383 L N 0.698 121.912 121.223 -0.015 0.000 2.046 383 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 383 L C 2.022 178.805 176.870 -0.144 0.000 1.077 383 L CA 2.015 56.770 54.840 -0.142 0.000 0.747 383 L CB -1.531 40.556 42.059 0.048 0.000 0.896 383 L HN 0.058 nan 8.230 nan 0.000 0.432 384 D N -0.322 120.129 120.400 0.084 0.000 2.117 384 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 384 D C 2.226 178.674 176.300 0.245 0.000 0.987 384 D CA 0.870 55.047 54.000 0.295 0.000 0.829 384 D CB -0.054 41.016 40.800 0.451 0.000 0.961 384 D HN 0.189 nan 8.370 nan 0.000 0.460 385 L N 1.363 122.555 121.223 -0.051 0.000 2.046 385 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 385 L C 2.179 178.677 176.870 -0.621 0.000 1.077 385 L CA 1.543 56.028 54.840 -0.592 0.000 0.747 385 L CB -0.155 41.426 42.059 -0.796 0.000 0.896 385 L HN -0.176 nan 8.230 nan 0.000 0.432 386 R N 0.004 120.055 120.500 -0.749 0.000 2.081 386 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 386 R C 1.479 177.192 176.300 -0.979 0.000 1.131 386 R CA 0.783 56.184 56.100 -1.165 0.000 0.960 386 R CB -0.905 28.272 30.300 -1.872 0.000 0.856 386 R HN 0.440 nan 8.270 nan 0.000 0.436 391 A N 2.673 125.710 122.820 0.361 0.000 2.445 391 A HA 0.465 4.785 4.320 -0.000 0.000 0.242 391 A C -2.238 175.477 177.584 0.219 0.000 1.075 391 A CA -0.360 51.886 52.037 0.350 0.000 0.777 391 A CB -0.004 19.249 19.000 0.422 0.000 1.013 391 A HN -0.079 nan 8.150 nan 0.000 0.493 392 P HA 0.409 nan 4.420 nan 0.000 0.282 392 P C 0.590 177.931 177.300 0.068 0.000 1.259 392 P CA 0.874 64.030 63.100 0.094 0.000 0.826 392 P CB 1.290 33.036 31.700 0.077 0.000 1.064 393 G N -0.077 108.721 108.800 -0.004 0.000 2.159 393 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.256 393 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.256 393 G C 0.028 174.827 174.900 -0.168 0.000 0.977 393 G CA -0.233 44.859 45.100 -0.014 0.000 0.652 393 G HN 0.601 nan 8.290 nan 0.000 0.531 394 Q N 0.782 120.399 119.800 -0.304 0.000 2.235 394 Q HA 0.604 4.944 4.340 -0.000 0.000 0.250 394 Q C -0.173 175.177 176.000 -1.084 0.000 0.909 394 Q CA -0.043 55.548 55.803 -0.353 0.000 0.910 394 Q CB 1.425 30.176 28.738 0.021 0.000 1.223 394 Q HN 0.656 nan 8.270 nan 0.000 0.432 395 H N 1.462 120.076 119.070 -0.761 0.000 2.930 395 H HA 0.531 5.087 4.556 -0.000 0.000 0.371 395 H C -0.905 173.714 175.328 -1.182 0.000 1.169 395 H CA -0.392 55.144 56.048 -0.854 0.000 1.157 395 H CB 1.241 30.811 29.762 -0.319 0.000 1.789 395 H HN 0.401 nan 8.280 nan 0.000 0.547 396 F N 1.106 120.864 119.950 -0.320 0.000 2.593 396 F HA 0.546 5.073 4.527 -0.000 0.000 0.320 396 F C -0.530 174.977 175.800 -0.488 0.000 1.060 396 F CA -0.945 56.717 58.000 -0.563 0.000 0.940 396 F CB 1.783 39.995 39.000 -1.314 0.000 1.268 396 F HN 0.104 nan 8.300 nan 0.000 0.475 397 L N 1.514 122.706 121.223 -0.051 0.000 2.422 397 L HA 0.525 4.865 4.340 -0.000 0.000 0.264 397 L C -0.968 175.995 176.870 0.155 0.000 0.984 397 L CA -0.674 54.202 54.840 0.060 0.000 0.819 397 L CB 2.204 44.345 42.059 0.137 0.000 1.330 397 L HN 0.891 nan 8.230 nan 0.000 0.410 398 Q N 1.517 121.436 119.800 0.199 0.000 2.423 398 Q HA 0.893 5.233 4.340 -0.000 0.000 0.278 398 Q C -1.387 174.694 176.000 0.135 0.000 1.097 398 Q CA -0.975 54.945 55.803 0.195 0.000 0.809 398 Q CB 2.875 31.758 28.738 0.242 0.000 1.391 398 Q HN 0.636 nan 8.270 nan 0.000 0.428 399 A N 1.232 124.115 122.820 0.106 0.000 2.285 399 A HA 0.781 5.101 4.320 -0.000 0.000 0.310 399 A C -0.840 176.772 177.584 0.047 0.000 1.266 399 A CA -0.347 51.737 52.037 0.079 0.000 0.832 399 A CB 0.879 19.926 19.000 0.079 0.000 1.163 399 A HN 0.818 nan 8.150 nan 0.000 0.499 400 A N 2.264 125.102 122.820 0.030 0.000 2.317 400 A HA 0.815 5.135 4.320 -0.000 0.000 0.327 400 A C 0.641 178.218 177.584 -0.012 0.000 1.178 400 A CA 0.092 52.130 52.037 0.000 0.000 0.817 400 A CB 0.851 19.844 19.000 -0.012 0.000 1.189 400 A HN 1.420 nan 8.150 nan 0.000 0.489 401 G N 0.113 108.894 108.800 -0.031 0.000 2.531 401 G HA2 0.428 4.388 3.960 -0.000 0.000 0.281 401 G HA3 0.428 4.388 3.960 -0.000 0.000 0.281 401 G C 0.422 175.297 174.900 -0.042 0.000 1.382 401 G CA -0.094 44.982 45.100 -0.041 0.000 1.045 401 G HN 0.767 nan 8.290 nan 0.000 0.533 402 E N -0.451 119.722 120.200 -0.045 0.000 2.038 402 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 402 E C 1.160 177.729 176.600 -0.051 0.000 1.000 402 E CA 1.491 57.865 56.400 -0.043 0.000 0.803 402 E CB -0.019 29.656 29.700 -0.042 0.000 0.750 402 E HN 0.544 nan 8.360 nan 0.000 0.448 403 N N -0.233 118.430 118.700 -0.062 0.000 2.299 403 N HA 0.107 4.847 4.740 -0.000 0.000 0.246 403 N C -0.819 174.649 175.510 -0.071 0.000 1.254 403 N CA -0.087 52.922 53.050 -0.068 0.000 0.879 403 N CB 1.105 39.546 38.487 -0.076 0.000 1.214 403 N HN 0.023 nan 8.380 nan 0.000 0.510 404 E N 0.800 120.959 120.200 -0.069 0.000 2.388 404 E HA 0.248 4.598 4.350 -0.000 0.000 0.280 404 E C -1.537 175.029 176.600 -0.057 0.000 1.019 404 E CA -0.732 55.630 56.400 -0.064 0.000 0.806 404 E CB 1.522 31.180 29.700 -0.071 0.000 1.246 404 E HN -0.118 nan 8.360 nan 0.000 0.443 405 I N 2.971 123.517 120.570 -0.040 0.000 2.533 405 I HA 0.153 4.323 4.170 -0.000 0.000 0.284 405 I C 0.995 177.112 176.117 -0.001 0.000 1.109 405 I CA 0.733 62.023 61.300 -0.017 0.000 1.412 405 I CB 1.329 39.324 38.000 -0.009 0.000 1.396 405 I HN 0.715 nan 8.210 nan 0.000 0.543 406 A N 4.622 127.447 122.820 0.008 0.000 2.115 406 A HA 0.662 4.982 4.320 -0.000 0.000 0.211 406 A C 0.944 178.571 177.584 0.073 0.000 1.169 406 A CA 0.844 52.897 52.037 0.025 0.000 0.787 406 A CB -0.144 18.855 19.000 -0.002 0.000 0.858 406 A HN 0.769 nan 8.150 nan 0.000 0.474 407 G N -2.495 106.347 108.800 0.070 0.000 2.576 407 G HA2 0.677 4.637 3.960 -0.000 0.000 0.290 407 G HA3 0.677 4.637 3.960 -0.000 0.000 0.290 407 G C -1.331 173.635 174.900 0.110 0.000 1.442 407 G CA 0.145 45.298 45.100 0.089 0.000 0.792 407 G HN 1.188 nan 8.290 nan 0.000 0.491 408 A N -0.744 122.160 122.820 0.139 0.000 2.604 408 A HA 0.812 5.132 4.320 -0.000 0.000 0.295 408 A C -2.129 175.590 177.584 0.225 0.000 1.067 408 A CA -0.540 51.604 52.037 0.177 0.000 0.683 408 A CB 2.022 21.123 19.000 0.169 0.000 1.281 408 A HN 1.843 nan 8.150 nan 0.000 0.407 409 L N 1.170 122.546 121.223 0.255 0.000 2.410 409 L HA 0.829 5.169 4.340 -0.000 0.000 0.270 409 L C -1.813 175.294 176.870 0.395 0.000 0.983 409 L CA -0.206 54.820 54.840 0.310 0.000 0.822 409 L CB 1.764 43.985 42.059 0.269 0.000 1.285 409 L HN 0.793 nan 8.230 nan 0.000 0.409 410 W N 7.334 128.766 121.300 0.220 0.000 2.362 410 W HA 0.573 5.233 4.660 -0.000 0.000 0.316 410 W C -2.092 174.491 176.519 0.106 0.000 1.024 410 W CA -1.081 56.398 57.345 0.225 0.000 1.270 410 W CB 1.286 30.920 29.460 0.290 0.000 1.273 410 W HN 0.288 nan 8.180 nan 0.000 0.424 411 L N 6.561 128.025 121.223 0.401 0.000 2.334 411 L HA 0.635 4.975 4.340 -0.000 0.000 0.273 411 L C -0.085 176.917 176.870 0.219 0.000 1.013 411 L CA -1.354 53.627 54.840 0.235 0.000 0.816 411 L CB 1.488 43.648 42.059 0.167 0.000 1.278 411 L HN 0.250 nan 8.230 nan 0.000 0.431 412 V N -1.335 118.672 119.914 0.155 0.000 2.638 412 V HA 0.615 4.735 4.120 -0.000 0.000 0.306 412 V C -0.582 175.595 176.094 0.139 0.000 1.052 412 V CA -0.921 61.465 62.300 0.143 0.000 0.885 412 V CB 1.918 33.789 31.823 0.080 0.000 0.999 412 V HN 0.649 nan 8.190 nan 0.000 0.424 413 D N 3.759 124.257 120.400 0.163 0.000 2.424 413 D HA 0.412 5.052 4.640 -0.000 0.000 0.244 413 D C 0.004 176.353 176.300 0.080 0.000 1.134 413 D CA 0.656 54.726 54.000 0.116 0.000 0.881 413 D CB 1.024 41.910 40.800 0.143 0.000 1.191 413 D HN 0.829 nan 8.370 nan 0.000 0.445 414 E N 0.056 120.286 120.200 0.049 0.000 2.390 414 E HA 0.572 4.922 4.350 -0.000 0.000 0.277 414 E C 0.206 176.834 176.600 0.046 0.000 0.939 414 E CA -1.113 55.327 56.400 0.066 0.000 0.769 414 E CB 2.382 32.149 29.700 0.111 0.000 1.251 414 E HN 0.521 nan 8.360 nan 0.000 0.450 415 G N 0.016 108.858 108.800 0.070 0.000 2.545 415 G HA2 0.095 4.055 3.960 -0.000 0.000 0.216 415 G HA3 0.095 4.055 3.960 -0.000 0.000 0.216 415 G C 0.604 175.528 174.900 0.039 0.000 1.314 415 G CA 0.029 45.169 45.100 0.068 0.000 0.906 415 G HN 1.452 nan 8.290 nan 0.000 0.563 416 G N -2.020 106.799 108.800 0.030 0.000 2.148 416 G HA2 0.066 4.026 3.960 -0.000 0.000 0.254 416 G HA3 0.066 4.026 3.960 -0.000 0.000 0.254 416 G C 0.427 175.341 174.900 0.022 0.000 0.981 416 G CA 1.012 46.124 45.100 0.019 0.000 0.670 416 G HN 1.532 nan 8.290 nan 0.000 0.528 417 L N 1.753 122.992 121.223 0.027 0.000 2.467 417 L HA 0.514 4.854 4.340 -0.000 0.000 0.270 417 L C 1.617 178.491 176.870 0.006 0.000 1.205 417 L CA 0.664 55.517 54.840 0.021 0.000 0.828 417 L CB 0.898 42.971 42.059 0.023 0.000 1.101 417 L HN 0.553 nan 8.230 nan 0.000 0.479 418 S N 1.107 116.809 115.700 0.004 0.000 2.589 418 S HA 0.024 4.494 4.470 -0.000 0.000 0.265 418 S C 0.853 175.432 174.600 -0.036 0.000 1.342 418 S CA -0.190 58.005 58.200 -0.008 0.000 1.005 418 S CB 0.469 63.670 63.200 0.003 0.000 0.909 418 S HN 0.694 nan 8.310 nan 0.000 0.555 419 Q N 0.621 120.390 119.800 -0.052 0.000 2.061 419 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 419 Q C 2.280 178.190 176.000 -0.149 0.000 0.984 419 Q CA 1.901 57.644 55.803 -0.100 0.000 0.846 419 Q CB -0.263 28.421 28.738 -0.089 0.000 0.902 419 Q HN 0.887 nan 8.270 nan 0.000 0.421 420 Q N 0.268 120.004 119.800 -0.106 0.000 2.061 420 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 420 Q C 2.147 178.082 176.000 -0.109 0.000 0.984 420 Q CA 1.185 56.920 55.803 -0.113 0.000 0.846 420 Q CB -0.899 27.814 28.738 -0.042 0.000 0.902 420 Q HN 0.369 nan 8.270 nan 0.000 0.421 421 L N 1.264 122.449 121.223 -0.064 0.000 2.017 421 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 421 L C 2.609 179.455 176.870 -0.041 0.000 1.073 421 L CA 2.190 57.006 54.840 -0.041 0.000 0.745 421 L CB -1.073 40.981 42.059 -0.007 0.000 0.894 421 L HN 0.271 nan 8.230 nan 0.000 0.432 422 S N -0.982 114.683 115.700 -0.059 0.000 2.359 422 S HA -0.322 4.148 4.470 -0.000 0.000 0.223 422 S C 1.995 176.553 174.600 -0.069 0.000 1.039 422 S CA 1.985 60.155 58.200 -0.050 0.000 1.042 422 S CB -0.292 62.866 63.200 -0.070 0.000 0.915 422 S HN 0.679 nan 8.310 nan 0.000 0.439 423 Q N 0.180 119.837 119.800 -0.239 0.000 2.096 423 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 423 Q C 2.533 178.542 176.000 0.015 0.000 0.982 423 Q CA 1.558 57.103 55.803 -0.430 0.000 0.850 423 Q CB -0.417 27.647 28.738 -1.123 0.000 0.901 423 Q HN 0.712 nan 8.270 nan 0.000 0.422 424 A N 0.134 122.991 122.820 0.061 0.000 1.902 424 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 424 A C 2.308 180.003 177.584 0.184 0.000 1.181 424 A CA 1.326 53.504 52.037 0.236 0.000 0.623 424 A CB -0.655 18.407 19.000 0.103 0.000 0.818 424 A HN 0.224 nan 8.150 nan 0.000 0.443 425 V N -2.072 117.899 119.914 0.095 0.000 2.358 425 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 425 V C 2.157 178.272 176.094 0.034 0.000 1.047 425 V CA 1.860 64.186 62.300 0.044 0.000 1.035 425 V CB -0.896 30.941 31.823 0.024 0.000 0.658 425 V HN 0.866 nan 8.190 nan 0.000 0.452 426 W N 1.163 122.418 121.300 -0.075 0.000 2.335 426 W HA -0.250 4.410 4.660 -0.000 0.000 0.311 426 W C 2.321 178.807 176.519 -0.055 0.000 1.213 426 W CA 2.175 59.482 57.345 -0.063 0.000 1.274 426 W CB -0.262 29.169 29.460 -0.049 0.000 1.148 426 W HN 0.168 nan 8.180 nan 0.000 0.498 427 A N 0.049 123.024 122.820 0.259 0.000 2.168 427 A HA 0.245 4.565 4.320 -0.000 0.000 0.215 427 A C 1.818 179.109 177.584 -0.487 0.000 1.152 427 A CA 1.383 53.330 52.037 -0.151 0.000 0.716 427 A CB -1.290 17.638 19.000 -0.120 0.000 0.794 427 A HN 1.043 nan 8.150 nan 0.000 0.465 428 G N -2.273 106.371 108.800 -0.259 0.000 2.143 428 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.248 428 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.248 428 G C 0.354 175.217 174.900 -0.062 0.000 0.991 428 G CA 0.480 45.474 45.100 -0.177 0.000 0.689 428 G HN 0.393 nan 8.290 nan 0.000 0.522 429 F N -0.084 119.934 119.950 0.114 0.000 2.615 429 F HA 0.421 4.948 4.527 0.000 0.000 0.297 429 F C 1.583 177.392 175.800 0.015 0.000 1.124 429 F CA 0.825 58.886 58.000 0.102 0.000 1.451 429 F CB 0.291 39.361 39.000 0.117 0.000 1.103 429 F HN 0.260 nan 8.300 nan 0.000 0.569 430 R N 0.271 120.866 120.500 0.158 0.000 2.566 430 R HA 0.455 4.795 4.340 -0.000 0.000 0.271 430 R C -1.301 175.020 176.300 0.036 0.000 1.071 430 R CA -0.644 55.502 56.100 0.076 0.000 0.915 430 R CB 1.209 31.537 30.300 0.048 0.000 1.228 430 R HN 0.114 nan 8.270 nan 0.000 0.449 431 R N 3.711 124.226 120.500 0.025 0.000 2.855 431 R HA 0.384 4.724 4.340 -0.000 0.000 0.261 431 R C -2.453 173.861 176.300 0.023 0.000 1.826 431 R CA -1.413 54.694 56.100 0.013 0.000 1.435 431 R CB 1.010 31.305 30.300 -0.008 0.000 1.383 431 R HN 0.439 nan 8.270 nan 0.000 0.583 432 P HA 0.380 nan 4.420 nan 0.000 0.293 432 P C -0.693 176.628 177.300 0.036 0.000 1.304 432 P CA -0.662 62.461 63.100 0.037 0.000 0.767 432 P CB 1.381 33.108 31.700 0.045 0.000 1.247 433 R N -2.087 118.435 120.500 0.037 0.000 2.893 433 R HA 0.606 4.946 4.340 -0.000 0.000 0.245 433 R C -0.026 176.302 176.300 0.046 0.000 1.192 433 R CA 0.144 56.269 56.100 0.041 0.000 1.077 433 R CB 1.063 31.387 30.300 0.041 0.000 1.253 433 R HN 0.945 nan 8.270 nan 0.000 0.505 434 G N 0.617 109.449 108.800 0.053 0.000 2.710 434 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.668 434 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.668 434 G C -0.773 174.164 174.900 0.063 0.000 1.320 434 G CA -0.319 44.817 45.100 0.059 0.000 0.860 434 G HN 0.775 nan 8.290 nan 0.000 0.538 435 N N -1.379 117.363 118.700 0.070 0.000 2.705 435 N HA -0.195 4.545 4.740 -0.000 0.000 0.255 435 N C 1.481 177.041 175.510 0.083 0.000 1.008 435 N CA 1.139 54.237 53.050 0.080 0.000 0.742 435 N CB -0.683 37.848 38.487 0.074 0.000 0.906 435 N HN 1.135 nan 8.380 nan 0.000 0.541 436 L N 0.403 121.675 121.223 0.081 0.000 1.951 436 L HA -0.218 4.122 4.340 -0.000 0.000 0.222 436 L C 2.184 179.111 176.870 0.095 0.000 1.078 436 L CA 2.079 56.968 54.840 0.083 0.000 0.778 436 L CB -0.722 41.382 42.059 0.075 0.000 0.893 436 L HN 0.252 nan 8.230 nan 0.000 0.436 437 V N -0.208 119.770 119.914 0.107 0.000 2.358 437 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 437 V C 2.716 178.878 176.094 0.113 0.000 1.047 437 V CA 1.499 63.864 62.300 0.109 0.000 1.035 437 V CB -1.337 30.559 31.823 0.121 0.000 0.658 437 V HN 0.661 nan 8.190 nan 0.000 0.452 438 A N -0.539 122.374 122.820 0.154 0.000 1.859 438 A HA -0.349 3.971 4.320 -0.000 0.000 0.217 438 A C 2.191 179.835 177.584 0.100 0.000 1.198 438 A CA 2.371 54.505 52.037 0.163 0.000 0.629 438 A CB -0.657 18.442 19.000 0.165 0.000 0.830 438 A HN 0.604 nan 8.150 nan 0.000 0.446 439 Q N -0.992 118.855 119.800 0.079 0.000 2.124 439 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 439 Q C 2.469 178.481 176.000 0.020 0.000 0.977 439 Q CA 1.535 57.365 55.803 0.044 0.000 0.850 439 Q CB -0.248 28.510 28.738 0.035 0.000 0.901 439 Q HN 0.690 nan 8.270 nan 0.000 0.429 440 S N 0.253 115.991 115.700 0.063 0.000 2.382 440 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 440 S C 1.848 176.514 174.600 0.110 0.000 1.027 440 S CA 0.586 58.862 58.200 0.128 0.000 0.991 440 S CB -0.011 63.315 63.200 0.210 0.000 0.823 440 S HN 0.196 nan 8.310 nan 0.000 0.469 441 L N 1.517 122.784 121.223 0.074 0.000 2.042 441 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 441 L C 2.783 179.700 176.870 0.079 0.000 1.076 441 L CA 2.006 56.880 54.840 0.057 0.000 0.749 441 L CB -1.865 40.203 42.059 0.014 0.000 0.893 441 L HN 0.434 nan 8.230 nan 0.000 0.432 442 A N -0.894 121.968 122.820 0.071 0.000 1.855 442 A HA 0.014 4.334 4.320 -0.000 0.000 0.213 442 A C 2.428 180.030 177.584 0.029 0.000 1.195 442 A CA 1.371 53.488 52.037 0.134 0.000 0.610 442 A CB -0.760 18.307 19.000 0.112 0.000 0.837 442 A HN 0.351 nan 8.150 nan 0.000 0.444 443 A N -1.061 121.657 122.820 -0.170 0.000 2.019 443 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 443 A C 1.590 178.809 177.584 -0.607 0.000 1.164 443 A CA 1.760 53.524 52.037 -0.456 0.000 0.644 443 A CB -0.655 17.994 19.000 -0.584 0.000 0.805 443 A HN 0.747 nan 8.150 nan 0.000 0.449 444 H N -2.182 116.833 119.070 -0.092 0.000 2.923 444 H HA 0.392 4.948 4.556 -0.000 0.000 0.268 444 H C 1.023 176.319 175.328 -0.053 0.000 1.148 444 H CA -0.043 55.946 56.048 -0.098 0.000 1.146 444 H CB 0.628 30.349 29.762 -0.067 0.000 1.607 444 H HN 0.461 nan 8.280 nan 0.000 0.566 445 G N -0.456 108.398 108.800 0.090 0.000 2.705 445 G HA2 0.005 3.965 3.960 -0.000 0.000 0.299 445 G HA3 0.005 3.965 3.960 -0.000 0.000 0.299 445 G C 0.299 175.359 174.900 0.267 0.000 1.315 445 G CA -0.538 44.646 45.100 0.141 0.000 1.045 445 G HN 0.240 nan 8.290 nan 0.000 0.517 446 N N -0.616 118.240 118.700 0.260 0.000 2.325 446 N HA -0.046 4.694 4.740 -0.000 0.000 0.182 446 N C -0.092 175.590 175.510 0.286 0.000 1.088 446 N CA -0.089 53.172 53.050 0.352 0.000 0.879 446 N CB 0.145 38.760 38.487 0.214 0.000 0.983 446 N HN 0.351 nan 8.380 nan 0.000 0.471 447 N N 2.082 120.895 118.700 0.189 0.000 2.500 447 N HA 0.183 4.923 4.740 -0.000 0.000 0.236 447 N C -1.902 173.579 175.510 -0.048 0.000 1.022 447 N CA -1.909 51.159 53.050 0.030 0.000 0.935 447 N CB 1.452 39.958 38.487 0.032 0.000 1.147 447 N HN 0.084 nan 8.380 nan 0.000 0.512 448 P HA -0.096 nan 4.420 nan 0.000 0.229 448 P C 0.649 177.781 177.300 -0.279 0.000 1.150 448 P CA 0.545 63.312 63.100 -0.555 0.000 0.765 448 P CB 0.519 31.545 31.700 -1.124 0.000 0.783 449 L N -1.392 119.723 121.223 -0.181 0.000 2.728 449 L HA 0.332 4.672 4.340 -0.000 0.000 0.238 449 L C 2.320 179.174 176.870 -0.027 0.000 1.143 449 L CA -0.179 54.591 54.840 -0.117 0.000 0.937 449 L CB -1.310 40.682 42.059 -0.112 0.000 1.225 449 L HN -0.131 nan 8.230 nan 0.000 0.507 450 A N 0.224 123.052 122.820 0.013 0.000 1.948 450 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 450 A C 2.311 179.941 177.584 0.077 0.000 1.177 450 A CA 1.793 53.862 52.037 0.053 0.000 0.636 450 A CB -0.414 18.628 19.000 0.070 0.000 0.815 450 A HN 0.348 nan 8.150 nan 0.000 0.449 451 A N -0.534 122.322 122.820 0.060 0.000 2.235 451 A HA 0.117 4.437 4.320 -0.000 0.000 0.208 451 A C 2.109 179.728 177.584 0.059 0.000 1.172 451 A CA 1.736 53.816 52.037 0.071 0.000 0.786 451 A CB -0.983 18.048 19.000 0.051 0.000 0.804 451 A HN 0.735 nan 8.150 nan 0.000 0.479 452 T N -2.752 111.825 114.554 0.037 0.000 3.043 452 T HA 0.200 4.550 4.350 -0.000 0.000 0.263 452 T C 0.589 175.315 174.700 0.042 0.000 1.094 452 T CA -0.008 62.106 62.100 0.023 0.000 1.127 452 T CB -0.405 68.461 68.868 -0.004 0.000 0.905 452 T HN 0.045 nan 8.240 nan 0.000 0.490 453 L N 1.850 123.123 121.223 0.084 0.000 2.452 453 L HA 0.401 4.741 4.340 -0.000 0.000 0.267 453 L C 0.708 177.610 176.870 0.053 0.000 1.188 453 L CA 0.205 55.107 54.840 0.103 0.000 0.821 453 L CB 0.333 42.528 42.059 0.226 0.000 1.102 453 L HN 0.193 nan 8.230 nan 0.000 0.470 454 R N 0.618 121.079 120.500 -0.065 0.000 2.589 454 R HA 0.779 5.119 4.340 -0.000 0.000 0.293 454 R C -0.269 175.739 176.300 -0.487 0.000 0.963 454 R CA -0.491 55.504 56.100 -0.176 0.000 0.905 454 R CB 1.809 32.043 30.300 -0.110 0.000 1.144 454 R HN 0.841 nan 8.270 nan 0.000 0.459 455 G N 1.215 109.690 108.800 -0.541 0.000 2.548 455 G HA2 0.435 4.395 3.960 -0.000 0.000 0.301 455 G HA3 0.435 4.395 3.960 -0.000 0.000 0.301 455 G C -1.506 173.225 174.900 -0.282 0.000 1.349 455 G CA -0.797 43.860 45.100 -0.739 0.000 0.792 455 G HN 0.370 nan 8.290 nan 0.000 0.481 456 R N -0.154 120.258 120.500 -0.146 0.000 2.575 456 R HA 0.509 4.849 4.340 -0.000 0.000 0.293 456 R C -0.428 175.946 176.300 0.123 0.000 0.983 456 R CA -0.858 55.253 56.100 0.019 0.000 0.887 456 R CB 2.882 33.196 30.300 0.023 0.000 1.184 456 R HN 0.540 nan 8.270 nan 0.000 0.445 457 R N 2.058 122.641 120.500 0.137 0.000 2.404 457 R HA 0.291 4.631 4.340 -0.000 0.000 0.291 457 R C -0.663 175.705 176.300 0.114 0.000 1.025 457 R CA -0.471 55.717 56.100 0.146 0.000 0.991 457 R CB 1.263 31.632 30.300 0.115 0.000 1.053 457 R HN 0.314 nan 8.270 nan 0.000 0.479 458 V N 4.229 124.203 119.914 0.100 0.000 2.370 458 V HA -0.018 4.102 4.120 -0.000 0.000 0.257 458 V C 1.281 177.397 176.094 0.036 0.000 1.064 458 V CA 0.460 62.822 62.300 0.103 0.000 0.975 458 V CB 0.768 32.631 31.823 0.067 0.000 1.067 458 V HN 0.961 nan 8.190 nan 0.000 0.485 459 S N 5.110 120.797 115.700 -0.022 0.000 2.371 459 S HA 0.107 4.577 4.470 -0.000 0.000 0.224 459 S C 0.881 175.404 174.600 -0.129 0.000 1.029 459 S CA 0.832 58.903 58.200 -0.216 0.000 0.978 459 S CB 0.048 62.827 63.200 -0.701 0.000 0.833 459 S HN 0.687 nan 8.310 nan 0.000 0.466 460 R N -0.097 120.441 120.500 0.063 0.000 2.594 460 R HA 0.472 4.812 4.340 -0.000 0.000 0.265 460 R C -1.558 174.930 176.300 0.314 0.000 1.070 460 R CA -0.400 55.810 56.100 0.184 0.000 0.909 460 R CB 1.059 31.483 30.300 0.207 0.000 1.243 460 R HN 0.379 nan 8.270 nan 0.000 0.455 461 I N 0.674 121.426 120.570 0.303 0.000 2.619 461 I HA 0.773 4.943 4.170 -0.000 0.000 0.292 461 I C -1.429 174.805 176.117 0.195 0.000 1.100 461 I CA -0.500 60.971 61.300 0.286 0.000 1.043 461 I CB 2.039 40.256 38.000 0.361 0.000 1.239 461 I HN 0.797 nan 8.210 nan 0.000 0.420 462 A N 6.490 129.404 122.820 0.158 0.000 2.517 462 A HA 0.751 5.071 4.320 -0.000 0.000 0.297 462 A C -1.970 175.664 177.584 0.084 0.000 1.050 462 A CA -0.455 51.653 52.037 0.117 0.000 0.694 462 A CB 1.829 20.929 19.000 0.166 0.000 1.277 462 A HN 0.413 nan 8.150 nan 0.000 0.400 463 V N 3.145 123.086 119.914 0.045 0.000 2.604 463 V HA 0.350 4.470 4.120 -0.000 0.000 0.305 463 V C 0.203 176.347 176.094 0.084 0.000 1.043 463 V CA -0.751 61.578 62.300 0.049 0.000 0.888 463 V CB 1.714 33.532 31.823 -0.009 0.000 0.995 463 V HN 0.985 nan 8.190 nan 0.000 0.429 464 H N 7.597 126.663 119.070 -0.006 0.000 3.094 464 H HA 0.030 4.586 4.556 -0.000 0.000 0.320 464 H C -1.502 173.840 175.328 0.024 0.000 1.000 464 H CA -0.771 55.265 56.048 -0.020 0.000 1.413 464 H CB 1.781 31.502 29.762 -0.068 0.000 1.405 464 H HN 0.383 nan 8.280 nan 0.000 0.586 465 P HA -0.135 nan 4.420 nan 0.000 0.219 465 P C 0.709 178.111 177.300 0.169 0.000 1.146 465 P CA 1.594 64.756 63.100 0.104 0.000 0.808 465 P CB 0.096 31.840 31.700 0.073 0.000 0.779 466 A N -0.912 122.123 122.820 0.359 0.000 2.251 466 A HA 0.104 4.424 4.320 -0.000 0.000 0.209 466 A C 1.778 179.419 177.584 0.095 0.000 1.187 466 A CA 0.313 52.467 52.037 0.196 0.000 0.823 466 A CB -0.263 18.842 19.000 0.177 0.000 0.846 466 A HN -0.053 nan 8.150 nan 0.000 0.486 467 R N -0.082 120.485 120.500 0.112 0.000 2.600 467 R HA 0.213 4.553 4.340 -0.000 0.000 0.392 467 R C -0.348 175.970 176.300 0.030 0.000 1.032 467 R CA -0.012 56.114 56.100 0.042 0.000 1.139 467 R CB 0.020 30.333 30.300 0.021 0.000 1.400 467 R HN 0.623 nan 8.270 nan 0.000 0.566 468 Q N 0.465 120.280 119.800 0.025 0.000 2.312 468 Q HA 0.289 4.629 4.340 -0.000 0.000 0.236 468 Q C -0.137 175.849 176.000 -0.023 0.000 0.965 468 Q CA -0.357 55.437 55.803 -0.015 0.000 0.894 468 Q CB 0.827 29.545 28.738 -0.034 0.000 1.225 468 Q HN -0.017 nan 8.270 nan 0.000 0.478 469 R N 0.492 120.968 120.500 -0.040 0.000 3.531 469 R HA -0.218 4.122 4.340 -0.000 0.000 0.280 469 R C -0.388 175.906 176.300 -0.011 0.000 1.130 469 R CA 0.864 56.947 56.100 -0.028 0.000 0.757 469 R CB -1.404 28.877 30.300 -0.032 0.000 1.218 469 R HN 0.695 nan 8.270 nan 0.000 0.454 470 E N -1.221 118.977 120.200 -0.003 0.000 2.641 470 E HA 0.197 4.547 4.350 -0.000 0.000 0.224 470 E C 1.162 177.770 176.600 0.014 0.000 0.951 470 E CA 0.325 56.727 56.400 0.003 0.000 1.102 470 E CB 1.379 31.081 29.700 0.003 0.000 1.091 470 E HN 0.490 nan 8.360 nan 0.000 0.507 471 G N 1.688 110.502 108.800 0.024 0.000 2.179 471 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.220 471 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.220 471 G C 1.206 176.141 174.900 0.059 0.000 0.990 471 G CA 0.713 45.838 45.100 0.043 0.000 0.646 471 G HN 0.327 nan 8.290 nan 0.000 0.517 472 T N -0.314 114.269 114.554 0.048 0.000 2.833 472 T HA 0.138 4.488 4.350 -0.000 0.000 0.269 472 T C 2.489 177.243 174.700 0.090 0.000 1.054 472 T CA 2.338 64.475 62.100 0.061 0.000 1.135 472 T CB -0.581 68.314 68.868 0.045 0.000 0.869 472 T HN 1.197 nan 8.240 nan 0.000 0.466 473 G N 0.794 109.647 108.800 0.088 0.000 2.402 473 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 473 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 473 G C 1.805 176.885 174.900 0.300 0.000 1.162 473 G CA 0.688 45.877 45.100 0.149 0.000 0.777 473 G HN 0.557 nan 8.290 nan 0.000 0.539 474 R N 0.141 120.790 120.500 0.248 0.000 2.115 474 R HA 0.000 4.340 4.340 -0.000 0.000 0.226 474 R C 2.620 178.982 176.300 0.103 0.000 1.100 474 R CA 1.142 57.315 56.100 0.122 0.000 0.980 474 R CB -0.194 30.130 30.300 0.040 0.000 0.875 474 R HN 0.435 nan 8.270 nan 0.000 0.445 475 Q N 0.060 119.920 119.800 0.101 0.000 2.167 475 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 475 Q C 1.920 177.993 176.000 0.121 0.000 0.970 475 Q CA 0.709 56.565 55.803 0.090 0.000 0.855 475 Q CB 0.041 28.824 28.738 0.076 0.000 0.911 475 Q HN 0.214 nan 8.270 nan 0.000 0.438 476 L N 0.793 122.107 121.223 0.152 0.000 2.017 476 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 476 L C 2.134 179.125 176.870 0.202 0.000 1.073 476 L CA 1.501 56.450 54.840 0.182 0.000 0.745 476 L CB -0.779 41.399 42.059 0.199 0.000 0.894 476 L HN 0.264 nan 8.230 nan 0.000 0.432 477 I N -0.461 120.240 120.570 0.219 0.000 2.226 477 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 477 I C 2.630 178.838 176.117 0.151 0.000 1.100 477 I CA 1.403 62.846 61.300 0.238 0.000 1.374 477 I CB -1.547 36.621 38.000 0.280 0.000 1.057 477 I HN 0.194 nan 8.210 nan 0.000 0.413 478 A N 0.896 123.778 122.820 0.104 0.000 1.940 478 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 478 A C 2.501 180.105 177.584 0.034 0.000 1.176 478 A CA 1.859 53.924 52.037 0.047 0.000 0.631 478 A CB -1.287 17.729 19.000 0.027 0.000 0.814 478 A HN 0.435 nan 8.150 nan 0.000 0.446 479 G N -0.622 108.233 108.800 0.091 0.000 2.422 479 G HA2 0.030 3.990 3.960 -0.000 0.000 0.218 479 G HA3 0.030 3.990 3.960 -0.000 0.000 0.218 479 G C 1.711 176.713 174.900 0.170 0.000 1.146 479 G CA 1.319 46.498 45.100 0.133 0.000 0.769 479 G HN 0.788 nan 8.290 nan 0.000 0.547 480 A N 0.263 123.183 122.820 0.167 0.000 1.933 480 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 480 A C 2.325 179.954 177.584 0.075 0.000 1.175 480 A CA 1.308 53.434 52.037 0.149 0.000 0.628 480 A CB -0.345 18.751 19.000 0.160 0.000 0.814 480 A HN 0.301 nan 8.150 nan 0.000 0.444 481 L N -0.273 120.972 121.223 0.036 0.000 2.056 481 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 481 L C 2.649 179.481 176.870 -0.063 0.000 1.078 481 L CA 2.301 57.132 54.840 -0.015 0.000 0.749 481 L CB -1.012 41.032 42.059 -0.025 0.000 0.901 481 L HN 0.674 nan 8.230 nan 0.000 0.433 482 Q N -1.013 118.712 119.800 -0.126 0.000 1.993 482 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 482 Q C 1.751 177.568 176.000 -0.304 0.000 0.984 482 Q CA 2.024 57.651 55.803 -0.294 0.000 0.837 482 Q CB -0.378 28.039 28.738 -0.535 0.000 0.902 482 Q HN 0.557 nan 8.270 nan 0.000 0.423 483 Y N 0.412 120.714 120.300 0.004 0.000 2.519 483 Y HA 0.140 4.690 4.550 -0.000 0.000 0.311 483 Y C 0.037 175.920 175.900 -0.028 0.000 1.207 483 Y CA -0.079 58.019 58.100 -0.004 0.000 1.289 483 Y CB 0.529 38.995 38.460 0.009 0.000 1.059 483 Y HN -0.013 nan 8.280 nan 0.000 0.507 484 T N -0.612 113.973 114.554 0.052 0.000 2.883 484 T HA 0.370 4.720 4.350 -0.000 0.000 0.301 484 T C -0.935 173.748 174.700 -0.028 0.000 1.158 484 T CA -0.852 61.246 62.100 -0.002 0.000 1.007 484 T CB 3.105 71.945 68.868 -0.046 0.000 1.186 484 T HN -0.012 nan 8.240 nan 0.000 0.499 485 Q N -0.172 119.604 119.800 -0.040 0.000 2.893 485 Q HA 0.340 4.680 4.340 -0.000 0.000 0.331 485 Q C -1.325 174.645 176.000 -0.050 0.000 0.893 485 Q CA -0.589 55.189 55.803 -0.041 0.000 0.783 485 Q CB 1.532 30.253 28.738 -0.027 0.000 1.440 485 Q HN 0.734 nan 8.270 nan 0.000 0.508 486 D N 0.337 120.711 120.400 -0.043 0.000 2.689 486 D HA -0.189 4.451 4.640 -0.000 0.000 0.237 486 D C -0.995 175.266 176.300 -0.065 0.000 1.148 486 D CA 0.958 54.932 54.000 -0.044 0.000 0.656 486 D CB -1.356 39.423 40.800 -0.035 0.000 1.050 486 D HN 0.264 nan 8.370 nan 0.000 0.426 487 L N -0.008 121.169 121.223 -0.078 0.000 2.422 487 L HA 0.290 4.630 4.340 -0.000 0.000 0.264 487 L C 1.017 177.819 176.870 -0.114 0.000 0.984 487 L CA -0.914 53.851 54.840 -0.124 0.000 0.819 487 L CB 2.107 44.080 42.059 -0.144 0.000 1.330 487 L HN -0.276 nan 8.230 nan 0.000 0.410 488 D N 0.956 121.258 120.400 -0.164 0.000 2.249 488 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 488 D C -0.588 175.730 176.300 0.030 0.000 0.962 488 D CA 1.360 55.329 54.000 -0.051 0.000 0.860 488 D CB 0.555 41.370 40.800 0.025 0.000 0.955 488 D HN 0.463 nan 8.370 nan 0.000 0.505 489 Y N -2.322 117.972 120.300 -0.011 0.000 2.814 489 Y HA 0.482 5.032 4.550 0.000 0.000 0.348 489 Y C -2.090 173.805 175.900 -0.008 0.000 1.245 489 Y CA -1.444 56.642 58.100 -0.024 0.000 1.086 489 Y CB 0.534 38.988 38.460 -0.010 0.000 1.373 489 Y HN -0.307 nan 8.280 nan 0.000 0.451 490 L N 2.693 124.070 121.223 0.256 0.000 2.346 490 L HA 0.848 5.188 4.340 -0.000 0.000 0.274 490 L C -0.364 176.791 176.870 0.475 0.000 1.007 490 L CA -0.207 54.784 54.840 0.252 0.000 0.818 490 L CB 2.025 44.148 42.059 0.106 0.000 1.284 490 L HN 0.948 nan 8.230 nan 0.000 0.424 491 S N 2.398 118.406 115.700 0.514 0.000 2.627 491 S HA 0.924 5.394 4.470 -0.000 0.000 0.283 491 S C -1.155 173.585 174.600 0.233 0.000 1.127 491 S CA -0.774 57.687 58.200 0.434 0.000 0.863 491 S CB 2.028 65.423 63.200 0.325 0.000 1.121 491 S HN 0.602 nan 8.310 nan 0.000 0.479 492 V N 0.472 120.407 119.914 0.036 0.000 2.891 492 V HA 0.775 4.895 4.120 -0.000 0.000 0.304 492 V C -1.273 174.794 176.094 -0.046 0.000 1.171 492 V CA -0.154 62.002 62.300 -0.241 0.000 0.943 492 V CB 2.099 33.276 31.823 -1.077 0.000 1.037 492 V HN 1.203 nan 8.190 nan 0.000 0.427 493 S N 6.407 122.127 115.700 0.034 0.000 2.552 493 S HA 0.906 5.376 4.470 -0.000 0.000 0.314 493 S C -1.099 173.637 174.600 0.227 0.000 1.099 493 S CA -0.443 57.824 58.200 0.111 0.000 1.070 493 S CB 0.783 64.023 63.200 0.066 0.000 0.998 493 S HN 1.221 nan 8.310 nan 0.000 0.474 494 F N 1.325 121.272 119.950 -0.005 0.000 2.645 494 F HA 0.821 5.348 4.527 -0.000 0.000 0.310 494 F C 0.048 175.926 175.800 0.130 0.000 1.102 494 F CA -1.328 56.724 58.000 0.087 0.000 0.952 494 F CB 0.447 39.536 39.000 0.148 0.000 1.326 494 F HN 0.576 nan 8.300 nan 0.000 0.456 495 G N 1.254 110.149 108.800 0.159 0.000 2.343 495 G HA2 0.241 4.201 3.960 -0.000 0.000 0.254 495 G HA3 0.241 4.201 3.960 -0.000 0.000 0.254 495 G C -1.545 173.410 174.900 0.092 0.000 1.277 495 G CA -0.236 44.899 45.100 0.058 0.000 0.909 495 G HN 0.846 nan 8.290 nan 0.000 0.502 496 Y N 2.985 123.207 120.300 -0.130 0.000 2.377 496 Y HA 0.488 5.038 4.550 -0.000 0.000 0.330 496 Y C 0.724 176.715 175.900 0.152 0.000 1.108 496 Y CA 0.123 58.208 58.100 -0.025 0.000 1.308 496 Y CB 1.125 39.503 38.460 -0.138 0.000 1.216 496 Y HN 0.699 nan 8.280 nan 0.000 0.518 497 T N 1.262 115.419 114.554 -0.663 0.000 2.932 497 T HA 0.387 4.737 4.350 -0.000 0.000 0.318 497 T C 0.716 175.065 174.700 -0.586 0.000 1.265 497 T CA -0.429 61.377 62.100 -0.491 0.000 1.036 497 T CB 1.098 69.903 68.868 -0.105 0.000 1.209 497 T HN 0.719 nan 8.240 nan 0.000 0.484 498 G N 0.771 109.382 108.800 -0.314 0.000 2.442 498 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 498 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 498 G C 1.068 176.008 174.900 0.066 0.000 1.141 498 G CA 0.870 45.971 45.100 0.001 0.000 0.763 498 G HN 0.866 nan 8.290 nan 0.000 0.554 499 E N -0.254 119.950 120.200 0.007 0.000 2.031 499 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 499 E C 2.453 179.070 176.600 0.030 0.000 0.994 499 E CA 0.853 57.256 56.400 0.005 0.000 0.800 499 E CB -0.272 29.412 29.700 -0.026 0.000 0.752 499 E HN 0.343 nan 8.360 nan 0.000 0.447 500 L N 1.281 122.549 121.223 0.076 0.000 2.083 500 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 500 L C 2.011 179.014 176.870 0.222 0.000 1.083 500 L CA 1.642 56.559 54.840 0.127 0.000 0.752 500 L CB -0.696 41.527 42.059 0.272 0.000 0.899 500 L HN 0.355 nan 8.230 nan 0.000 0.433 501 W N 0.349 121.778 121.300 0.215 0.000 2.358 501 W HA -0.231 4.429 4.660 -0.000 0.000 0.303 501 W C 2.460 179.096 176.519 0.196 0.000 1.208 501 W CA 1.184 58.744 57.345 0.359 0.000 1.274 501 W CB -0.153 29.640 29.460 0.556 0.000 1.138 501 W HN 0.145 nan 8.180 nan 0.000 0.515 502 R N 0.254 120.628 120.500 -0.211 0.000 2.105 502 R HA -0.251 4.089 4.340 -0.000 0.000 0.239 502 R C 2.357 178.440 176.300 -0.362 0.000 1.135 502 R CA 1.972 57.842 56.100 -0.383 0.000 0.967 502 R CB -1.160 29.055 30.300 -0.142 0.000 0.861 502 R HN 0.283 nan 8.270 nan 0.000 0.442 503 F N -0.164 119.550 119.950 -0.392 0.000 2.102 503 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 503 F C 1.505 176.974 175.800 -0.551 0.000 1.105 503 F CA 1.556 59.262 58.000 -0.491 0.000 1.239 503 F CB -0.694 37.915 39.000 -0.652 0.000 0.991 503 F HN 0.029 nan 8.300 nan 0.000 0.474 504 W N 0.739 121.686 121.300 -0.589 0.000 2.402 504 W HA -0.127 4.533 4.660 -0.000 0.000 0.286 504 W C 2.732 178.944 176.519 -0.511 0.000 1.221 504 W CA 1.193 58.146 57.345 -0.653 0.000 1.257 504 W CB -0.717 28.445 29.460 -0.498 0.000 1.120 504 W HN 0.132 nan 8.180 nan 0.000 0.551 505 Q N 0.491 119.861 119.800 -0.717 0.000 2.124 505 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 505 Q C 2.284 178.086 176.000 -0.329 0.000 0.977 505 Q CA 1.228 56.611 55.803 -0.700 0.000 0.850 505 Q CB -0.057 28.045 28.738 -1.059 0.000 0.901 505 Q HN -0.026 nan 8.270 nan 0.000 0.429 506 R N -0.101 120.179 120.500 -0.367 0.000 2.096 506 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 506 R C 2.009 178.180 176.300 -0.216 0.000 1.127 506 R CA 1.012 56.953 56.100 -0.265 0.000 0.968 506 R CB -1.136 28.995 30.300 -0.281 0.000 0.861 506 R HN 0.369 nan 8.270 nan 0.000 0.440 507 C N -0.827 118.313 119.300 -0.267 0.000 2.539 507 C HA 0.291 4.751 4.460 -0.000 0.000 0.271 507 C C 1.448 176.458 174.990 0.033 0.000 1.412 507 C CA 0.470 59.421 59.018 -0.111 0.000 1.729 507 C CB -1.010 26.651 27.740 -0.132 0.000 1.739 507 C HN 0.706 nan 8.230 nan 0.000 0.570 508 G N -0.443 108.362 108.800 0.007 0.000 2.159 508 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.227 508 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.227 508 G C -0.073 174.819 174.900 -0.013 0.000 0.986 508 G CA -0.504 44.579 45.100 -0.029 0.000 0.651 508 G HN 0.392 nan 8.290 nan 0.000 0.523 509 F N 0.048 120.027 119.950 0.048 0.000 2.410 509 F HA 0.560 5.087 4.527 -0.000 0.000 0.334 509 F C 0.903 176.859 175.800 0.260 0.000 1.134 509 F CA -0.331 57.771 58.000 0.170 0.000 1.227 509 F CB 1.493 40.661 39.000 0.280 0.000 1.194 509 F HN -0.026 nan 8.300 nan 0.000 0.571 510 V N 4.185 124.346 119.914 0.411 0.000 2.444 510 V HA 0.235 4.355 4.120 -0.000 0.000 0.294 510 V C -0.525 175.750 176.094 0.302 0.000 1.022 510 V CA -0.972 61.501 62.300 0.288 0.000 0.850 510 V CB 1.554 33.415 31.823 0.064 0.000 0.992 510 V HN 0.482 nan 8.190 nan 0.000 0.426 511 L N 6.374 127.738 121.223 0.235 0.000 2.462 511 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 511 L C 0.912 177.857 176.870 0.125 0.000 1.166 511 L CA 0.889 55.722 54.840 -0.011 0.000 0.880 511 L CB 1.336 43.150 42.059 -0.409 0.000 1.142 511 L HN 0.647 nan 8.230 nan 0.000 0.473 512 V N 2.115 122.053 119.914 0.041 0.000 3.502 512 V HA 0.502 4.622 4.120 -0.000 0.000 0.288 512 V C 0.493 176.560 176.094 -0.046 0.000 1.461 512 V CA 0.040 62.361 62.300 0.036 0.000 1.029 512 V CB -0.269 31.575 31.823 0.034 0.000 0.843 512 V HN 0.878 nan 8.190 nan 0.000 0.438 516 N N -1.357 117.061 118.700 -0.469 0.000 2.143 516 N HA 0.191 4.931 4.740 -0.000 0.000 0.222 516 N C -0.660 175.049 175.510 0.332 0.000 1.264 516 N CA -0.261 52.727 53.050 -0.102 0.000 0.897 516 N CB 0.647 39.102 38.487 -0.053 0.000 1.092 516 N HN 0.642 nan 8.380 nan 0.000 0.516 517 H N -0.578 118.676 119.070 0.308 0.000 2.673 517 H HA 0.417 4.973 4.556 -0.000 0.000 0.293 517 H C -0.408 174.990 175.328 0.118 0.000 1.065 517 H CA -0.870 55.303 56.048 0.208 0.000 1.236 517 H CB 0.537 30.354 29.762 0.092 0.000 1.389 517 H HN -0.192 nan 8.280 nan 0.000 0.481 518 R N 2.668 123.163 120.500 -0.009 0.000 2.484 518 R HA -0.004 4.336 4.340 -0.000 0.000 0.293 518 R C -0.218 176.033 176.300 -0.083 0.000 1.023 518 R CA 0.001 55.939 56.100 -0.270 0.000 1.037 518 R CB 0.542 30.607 30.300 -0.391 0.000 0.951 518 R HN 0.723 nan 8.270 nan 0.000 0.418 519 E N 1.569 121.719 120.200 -0.083 0.000 2.417 519 E HA -0.070 4.280 4.350 -0.000 0.000 0.261 519 E C 0.908 177.477 176.600 -0.053 0.000 1.000 519 E CA -0.073 56.306 56.400 -0.036 0.000 0.919 519 E CB 0.901 30.570 29.700 -0.052 0.000 0.955 519 E HN 0.666 nan 8.360 nan 0.000 0.455 520 A N 3.337 126.145 122.820 -0.019 0.000 1.940 520 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 520 A C 2.154 179.716 177.584 -0.038 0.000 1.176 520 A CA 2.188 54.217 52.037 -0.012 0.000 0.631 520 A CB -0.469 18.543 19.000 0.020 0.000 0.814 520 A HN 0.657 nan 8.150 nan 0.000 0.446 521 S N -0.315 115.331 115.700 -0.090 0.000 2.371 521 S HA -0.099 4.371 4.470 -0.000 0.000 0.221 521 S C 2.084 176.564 174.600 -0.199 0.000 1.036 521 S CA 1.415 59.509 58.200 -0.177 0.000 0.965 521 S CB -0.756 62.204 63.200 -0.399 0.000 0.845 521 S HN 0.934 nan 8.310 nan 0.000 0.475 522 S N 0.503 116.077 115.700 -0.210 0.000 2.486 522 S HA 0.415 4.885 4.470 -0.000 0.000 0.220 522 S C 1.768 176.328 174.600 -0.066 0.000 1.011 522 S CA 0.700 58.824 58.200 -0.128 0.000 0.921 522 S CB -0.575 62.551 63.200 -0.123 0.000 0.785 522 S HN 1.541 nan 8.310 nan 0.000 0.517 523 G N 0.355 109.102 108.800 -0.088 0.000 2.162 523 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 523 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 523 G C 0.178 174.974 174.900 -0.173 0.000 0.976 523 G CA 0.152 45.188 45.100 -0.106 0.000 0.655 523 G HN 0.704 nan 8.290 nan 0.000 0.533 524 C N -0.011 119.205 119.300 -0.140 0.000 2.365 524 C HA 0.717 5.177 4.460 -0.000 0.000 0.349 524 C C 0.671 175.548 174.990 -0.187 0.000 1.191 524 C CA -1.346 57.592 59.018 -0.133 0.000 2.114 524 C CB 0.370 28.107 27.740 -0.005 0.000 2.367 524 C HN 0.299 nan 8.230 nan 0.000 0.530 525 Y N 0.660 120.947 120.300 -0.022 0.000 2.326 525 Y HA 0.260 4.810 4.550 -0.000 0.000 0.333 525 Y C 1.317 177.115 175.900 -0.170 0.000 1.240 525 Y CA 0.436 58.462 58.100 -0.124 0.000 1.365 525 Y CB 0.403 38.769 38.460 -0.155 0.000 1.289 525 Y HN 0.575 nan 8.280 nan 0.000 0.548 526 T N 2.831 117.332 114.554 -0.088 0.000 2.780 526 T HA 0.623 4.973 4.350 -0.000 0.000 0.294 526 T C 0.075 174.600 174.700 -0.291 0.000 0.949 526 T CA -0.581 61.416 62.100 -0.173 0.000 1.074 526 T CB 0.526 69.327 68.868 -0.112 0.000 0.910 526 T HN 0.743 nan 8.240 nan 0.000 0.501 530 L N 0.672 122.108 121.223 0.356 0.000 2.401 530 L HA 0.720 5.060 4.340 -0.000 0.000 0.266 530 L C -1.102 175.734 176.870 -0.055 0.000 0.991 530 L CA -0.443 54.494 54.840 0.162 0.000 0.818 530 L CB 1.872 43.903 42.059 -0.047 0.000 1.321 530 L HN 0.749 nan 8.230 nan 0.000 0.413 531 L N 6.445 127.436 121.223 -0.386 0.000 2.337 531 L HA 0.658 4.998 4.340 -0.000 0.000 0.269 531 L C -2.437 174.321 176.870 -0.187 0.000 1.018 531 L CA -2.115 52.373 54.840 -0.588 0.000 0.876 531 L CB 0.717 42.005 42.059 -1.286 0.000 1.236 531 L HN 0.343 nan 8.230 nan 0.000 0.436 535 D N 1.278 121.685 120.400 0.013 0.000 2.182 535 D HA 0.025 4.665 4.640 -0.000 0.000 0.201 535 D C 2.144 178.458 176.300 0.023 0.000 0.986 535 D CA 2.007 56.014 54.000 0.013 0.000 0.847 535 D CB -0.594 40.210 40.800 0.007 0.000 0.942 535 D HN 0.732 nan 8.370 nan 0.000 0.467 536 A N 0.410 123.248 122.820 0.030 0.000 1.898 536 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 536 A C 2.358 179.980 177.584 0.064 0.000 1.181 536 A CA 1.854 53.915 52.037 0.040 0.000 0.620 536 A CB -0.898 18.127 19.000 0.041 0.000 0.819 536 A HN 0.300 nan 8.150 nan 0.000 0.442 537 G N -0.283 108.571 108.800 0.089 0.000 2.402 537 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 537 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 537 G C 1.652 176.596 174.900 0.072 0.000 1.162 537 G CA 0.975 46.156 45.100 0.135 0.000 0.777 537 G HN 0.553 nan 8.290 nan 0.000 0.539 538 K N 0.012 120.441 120.400 0.048 0.000 2.063 538 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 538 K C 2.690 179.308 176.600 0.029 0.000 1.048 538 K CA 1.349 57.653 56.287 0.028 0.000 0.928 538 K CB -0.147 32.362 32.500 0.016 0.000 0.713 538 K HN 0.345 nan 8.250 nan 0.000 0.442 539 Q N 0.372 120.190 119.800 0.030 0.000 2.123 539 Q HA -0.123 4.217 4.340 -0.000 0.000 0.199 539 Q C 2.141 178.163 176.000 0.037 0.000 0.966 539 Q CA 0.768 56.588 55.803 0.028 0.000 0.845 539 Q CB -0.058 28.692 28.738 0.021 0.000 0.907 539 Q HN 0.159 nan 8.270 nan 0.000 0.439 540 L N 0.796 122.041 121.223 0.037 0.000 2.012 540 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 540 L C 2.140 179.030 176.870 0.033 0.000 1.073 540 L CA 2.212 57.071 54.840 0.031 0.000 0.748 540 L CB -0.871 41.195 42.059 0.012 0.000 0.891 540 L HN 0.124 nan 8.230 nan 0.000 0.431 541 A N -0.901 121.934 122.820 0.026 0.000 1.858 541 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 541 A C 2.145 179.790 177.584 0.103 0.000 1.190 541 A CA 1.673 53.736 52.037 0.043 0.000 0.617 541 A CB -0.615 18.399 19.000 0.023 0.000 0.827 541 A HN 0.535 nan 8.150 nan 0.000 0.443 542 E N -0.335 119.920 120.200 0.092 0.000 2.051 542 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 542 E C 2.198 178.902 176.600 0.173 0.000 0.991 542 E CA 1.232 57.711 56.400 0.133 0.000 0.799 542 E CB -0.358 29.387 29.700 0.074 0.000 0.748 542 E HN 0.557 nan 8.360 nan 0.000 0.449 543 R N 0.703 121.274 120.500 0.119 0.000 2.083 543 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 543 R C 2.237 178.637 176.300 0.167 0.000 1.137 543 R CA 1.498 57.678 56.100 0.133 0.000 0.951 543 R CB -0.093 30.259 30.300 0.087 0.000 0.851 543 R HN -0.009 nan 8.270 nan 0.000 0.434 544 E N -1.284 118.994 120.200 0.129 0.000 2.150 544 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 544 E C 1.580 178.242 176.600 0.104 0.000 0.985 544 E CA 1.233 57.693 56.400 0.100 0.000 0.814 544 E CB -0.095 29.647 29.700 0.069 0.000 0.752 544 E HN 0.391 nan 8.360 nan 0.000 0.466 545 H N -1.427 117.685 119.070 0.069 0.000 2.395 545 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 545 H C 1.712 177.091 175.328 0.086 0.000 1.070 545 H CA 1.657 57.742 56.048 0.062 0.000 1.356 545 H CB -0.267 29.548 29.762 0.089 0.000 1.401 545 H HN 0.246 nan 8.280 nan 0.000 0.524 546 Y N 1.327 121.613 120.300 -0.024 0.000 2.181 546 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 546 Y C 2.819 178.660 175.900 -0.098 0.000 1.146 546 Y CA 2.051 60.113 58.100 -0.064 0.000 1.164 546 Y CB -0.354 38.112 38.460 0.011 0.000 0.982 546 Y HN 0.158 nan 8.280 nan 0.000 0.515 547 R N -0.115 120.351 120.500 -0.057 0.000 2.091 547 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 547 R C 2.183 178.356 176.300 -0.211 0.000 1.136 547 R CA 1.798 57.817 56.100 -0.135 0.000 0.959 547 R CB -0.686 29.608 30.300 -0.010 0.000 0.856 547 R HN 0.472 nan 8.270 nan 0.000 0.437 548 L N 1.406 122.504 121.223 -0.209 0.000 2.083 548 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 548 L C 2.245 178.937 176.870 -0.297 0.000 1.083 548 L CA 1.720 56.413 54.840 -0.244 0.000 0.752 548 L CB -0.287 41.628 42.059 -0.241 0.000 0.899 548 L HN 0.130 nan 8.230 nan 0.000 0.433 549 R N -0.942 119.332 120.500 -0.377 0.000 2.120 549 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 549 R C 2.235 178.355 176.300 -0.299 0.000 1.123 549 R CA 1.363 57.262 56.100 -0.335 0.000 0.975 549 R CB -0.290 29.806 30.300 -0.339 0.000 0.866 549 R HN 0.404 nan 8.270 nan 0.000 0.446 550 R N 0.122 120.408 120.500 -0.357 0.000 2.153 550 R HA -0.034 4.306 4.340 -0.000 0.000 0.218 550 R C 0.815 176.989 176.300 -0.210 0.000 1.072 550 R CA 0.884 56.808 56.100 -0.294 0.000 0.990 550 R CB 0.146 30.245 30.300 -0.334 0.000 0.889 550 R HN 0.159 nan 8.270 nan 0.000 0.452 551 D N 0.314 120.589 120.400 -0.210 0.000 2.350 551 D HA 0.109 4.749 4.640 -0.000 0.000 0.213 551 D C 1.518 177.712 176.300 -0.176 0.000 1.031 551 D CA 0.339 54.229 54.000 -0.183 0.000 0.861 551 D CB 0.248 40.935 40.800 -0.188 0.000 0.926 551 D HN 0.129 nan 8.370 nan 0.000 0.520 552 A N 1.048 123.760 122.820 -0.181 0.000 1.884 552 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 552 A C 2.115 179.622 177.584 -0.130 0.000 1.197 552 A CA 1.963 53.901 52.037 -0.165 0.000 0.637 552 A CB -0.753 18.155 19.000 -0.154 0.000 0.827 552 A HN 0.261 nan 8.150 nan 0.000 0.450 553 Q N -0.890 118.845 119.800 -0.109 0.000 2.061 553 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 553 Q C 2.241 178.199 176.000 -0.071 0.000 0.984 553 Q CA 1.847 57.602 55.803 -0.080 0.000 0.846 553 Q CB -0.357 28.340 28.738 -0.069 0.000 0.902 553 Q HN 0.645 nan 8.270 nan 0.000 0.421 554 A N 0.388 123.158 122.820 -0.084 0.000 1.898 554 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 554 A C 1.942 179.497 177.584 -0.049 0.000 1.181 554 A CA 1.021 53.019 52.037 -0.065 0.000 0.620 554 A CB -0.563 18.375 19.000 -0.103 0.000 0.819 554 A HN 0.404 nan 8.150 nan 0.000 0.442 555 L N -0.369 120.787 121.223 -0.110 0.000 1.994 555 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 555 L C 3.039 179.850 176.870 -0.099 0.000 1.071 555 L CA 2.071 56.829 54.840 -0.136 0.000 0.745 555 L CB -1.659 40.269 42.059 -0.218 0.000 0.892 555 L HN 0.431 nan 8.230 nan 0.000 0.431 556 A N -1.083 121.673 122.820 -0.107 0.000 1.917 556 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 556 A C 2.277 179.836 177.584 -0.042 0.000 1.182 556 A CA 2.017 54.003 52.037 -0.086 0.000 0.633 556 A CB -0.578 18.378 19.000 -0.073 0.000 0.819 556 A HN 0.473 nan 8.150 nan 0.000 0.448 557 Q N -1.369 118.421 119.800 -0.017 0.000 2.084 557 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 557 Q C 1.908 177.916 176.000 0.013 0.000 0.978 557 Q CA 1.870 57.672 55.803 -0.002 0.000 0.844 557 Q CB -0.330 28.414 28.738 0.009 0.000 0.898 557 Q HN 0.829 nan 8.270 nan 0.000 0.426 558 W N 0.138 121.370 121.300 -0.114 0.000 2.443 558 W HA -0.028 4.632 4.660 0.000 0.000 0.296 558 W C 0.948 177.402 176.519 -0.108 0.000 1.202 558 W CA 1.302 58.583 57.345 -0.108 0.000 1.312 558 W CB -0.261 29.118 29.460 -0.134 0.000 1.120 558 W HN 0.228 nan 8.180 nan 0.000 0.536 559 N N -0.056 118.671 118.700 0.045 0.000 2.409 559 N HA 0.012 4.752 4.740 -0.000 0.000 0.179 559 N C 1.593 177.124 175.510 0.036 0.000 1.032 559 N CA 1.929 54.921 53.050 -0.098 0.000 0.898 559 N CB -0.566 37.577 38.487 -0.573 0.000 0.971 559 N HN 0.259 nan 8.380 nan 0.000 0.441 560 G N 0.127 108.921 108.800 -0.010 0.000 2.159 560 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.256 560 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.256 560 G C -0.283 174.646 174.900 0.048 0.000 0.977 560 G CA 0.097 45.206 45.100 0.016 0.000 0.652 560 G HN 0.413 nan 8.290 nan 0.000 0.531 561 E N 0.668 120.889 120.200 0.035 0.000 2.275 561 E HA 0.450 4.800 4.350 -0.000 0.000 0.270 561 E C 0.253 176.840 176.600 -0.022 0.000 0.882 561 E CA -0.238 56.192 56.400 0.050 0.000 0.758 561 E CB 1.640 31.425 29.700 0.143 0.000 1.195 561 E HN 0.371 nan 8.360 nan 0.000 0.419 562 T N 0.248 114.800 114.554 -0.003 0.000 2.918 562 T HA 0.344 4.694 4.350 -0.000 0.000 0.302 562 T C 0.129 174.787 174.700 -0.070 0.000 1.045 562 T CA -0.591 61.489 62.100 -0.033 0.000 1.114 562 T CB 0.422 69.291 68.868 0.001 0.000 0.965 562 T HN 0.108 nan 8.240 nan 0.000 0.540 563 L N 3.721 124.869 121.223 -0.125 0.000 2.379 563 L HA 0.459 4.799 4.340 -0.000 0.000 0.269 563 L C -1.595 175.220 176.870 -0.092 0.000 1.084 563 L CA -2.104 52.613 54.840 -0.205 0.000 0.802 563 L CB 0.727 42.633 42.059 -0.255 0.000 1.175 563 L HN 0.615 nan 8.230 nan 0.000 0.448 564 P HA 0.223 nan 4.420 nan 0.000 0.214 564 P C -1.178 176.196 177.300 0.123 0.000 1.849 564 P CA -0.058 63.104 63.100 0.103 0.000 1.022 564 P CB 0.218 32.088 31.700 0.284 0.000 1.912 565 V N -1.944 118.006 119.914 0.060 0.000 3.147 565 V HA 0.520 4.640 4.120 -0.000 0.000 0.306 565 V C -1.017 175.101 176.094 0.040 0.000 1.209 565 V CA -1.143 61.207 62.300 0.082 0.000 1.023 565 V CB 2.197 34.004 31.823 -0.027 0.000 1.059 565 V HN -0.129 nan 8.190 nan 0.000 0.435 566 D N 4.196 124.631 120.400 0.059 0.000 2.338 566 D HA 0.370 5.010 4.640 -0.000 0.000 0.255 566 D C -2.323 173.962 176.300 -0.025 0.000 1.237 566 D CA -1.011 53.008 54.000 0.032 0.000 0.883 566 D CB 1.109 41.945 40.800 0.060 0.000 1.087 566 D HN 0.627 nan 8.370 nan 0.000 0.485 567 P HA 0.099 nan 4.420 nan 0.000 0.271 567 P C -0.444 176.813 177.300 -0.073 0.000 1.216 567 P CA -0.291 62.762 63.100 -0.077 0.000 0.776 567 P CB 1.094 32.755 31.700 -0.065 0.000 0.881 568 L N 3.951 125.105 121.223 -0.114 0.000 2.313 568 L HA 0.287 4.627 4.340 -0.000 0.000 0.273 568 L C 0.857 177.666 176.870 -0.101 0.000 1.028 568 L CA -0.321 54.456 54.840 -0.105 0.000 0.871 568 L CB 0.101 42.056 42.059 -0.173 0.000 1.242 568 L HN 0.256 nan 8.230 nan 0.000 0.434 569 N N 0.573 119.234 118.700 -0.064 0.000 2.485 569 N HA -0.034 4.706 4.740 -0.000 0.000 0.199 569 N C -0.667 174.816 175.510 -0.046 0.000 1.236 569 N CA -0.013 53.002 53.050 -0.057 0.000 0.852 569 N CB -0.017 38.446 38.487 -0.040 0.000 1.018 569 N HN 0.526 nan 8.380 nan 0.000 0.457 570 D N 1.202 121.573 120.400 -0.048 0.000 2.346 570 D HA 0.129 4.769 4.640 -0.000 0.000 0.267 570 D C -0.140 176.140 176.300 -0.034 0.000 1.320 570 D CA 0.174 54.158 54.000 -0.027 0.000 0.951 570 D CB 0.370 41.163 40.800 -0.011 0.000 1.079 570 D HN 0.193 nan 8.370 nan 0.000 0.509 571 A N 2.983 125.788 122.820 -0.025 0.000 2.506 571 A HA 0.503 4.823 4.320 -0.000 0.000 0.320 571 A C -0.340 177.240 177.584 -0.007 0.000 1.424 571 A CA -0.565 51.456 52.037 -0.028 0.000 1.044 571 A CB 0.313 19.295 19.000 -0.030 0.000 1.140 571 A HN 0.469 nan 8.150 nan 0.000 0.538 572 V N 4.514 124.429 119.914 0.003 0.000 2.775 572 V HA 0.401 4.521 4.120 -0.000 0.000 0.295 572 V C -1.073 175.051 176.094 0.049 0.000 1.226 572 V CA -0.736 61.584 62.300 0.033 0.000 0.934 572 V CB 1.312 33.160 31.823 0.043 0.000 1.056 572 V HN 0.683 nan 8.190 nan 0.000 0.436 573 L N 6.305 127.575 121.223 0.077 0.000 2.462 573 L HA 0.460 4.800 4.340 -0.000 0.000 0.272 573 L C 1.035 178.029 176.870 0.208 0.000 1.166 573 L CA 0.736 55.646 54.840 0.116 0.000 0.880 573 L CB 1.146 43.288 42.059 0.138 0.000 1.142 573 L HN 0.977 nan 8.230 nan 0.000 0.473 574 S N 0.674 116.490 115.700 0.194 0.000 2.745 574 S HA 0.297 4.767 4.470 -0.000 0.000 0.292 574 S C 0.467 175.235 174.600 0.280 0.000 1.127 574 S CA -0.843 57.476 58.200 0.199 0.000 1.007 574 S CB 1.537 64.829 63.200 0.153 0.000 1.165 574 S HN 0.558 nan 8.310 nan 0.000 0.544 575 D N 0.628 121.139 120.400 0.185 0.000 2.144 575 D HA -0.017 4.623 4.640 -0.000 0.000 0.200 575 D C 1.256 177.680 176.300 0.206 0.000 0.978 575 D CA 1.074 55.174 54.000 0.166 0.000 0.833 575 D CB -0.396 40.450 40.800 0.076 0.000 0.961 575 D HN 0.525 nan 8.370 nan 0.000 0.470 576 D N 0.629 121.132 120.400 0.172 0.000 2.097 576 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 576 D C 1.505 177.912 176.300 0.178 0.000 0.989 576 D CA 0.877 54.976 54.000 0.165 0.000 0.827 576 D CB -0.182 40.707 40.800 0.148 0.000 0.966 576 D HN 0.133 nan 8.370 nan 0.000 0.456 577 D N -0.432 120.062 120.400 0.157 0.000 2.092 577 D HA -0.157 4.483 4.640 -0.000 0.000 0.193 577 D C 2.043 178.394 176.300 0.084 0.000 0.994 577 D CA 0.698 54.746 54.000 0.081 0.000 0.828 577 D CB -0.567 40.246 40.800 0.022 0.000 0.963 577 D HN 0.333 nan 8.370 nan 0.000 0.450 578 W N 0.821 122.149 121.300 0.046 0.000 2.321 578 W HA -0.133 4.527 4.660 -0.000 0.000 0.306 578 W C 2.312 178.883 176.519 0.086 0.000 1.217 578 W CA 0.531 57.904 57.345 0.047 0.000 1.257 578 W CB -0.764 28.713 29.460 0.028 0.000 1.145 578 W HN 0.015 nan 8.180 nan 0.000 0.509 579 L N 0.680 122.099 121.223 0.326 0.000 2.017 579 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 579 L C 2.163 179.283 176.870 0.417 0.000 1.073 579 L CA 2.081 57.102 54.840 0.302 0.000 0.745 579 L CB -1.062 41.132 42.059 0.225 0.000 0.894 579 L HN 0.017 nan 8.230 nan 0.000 0.432 580 E N -0.743 119.670 120.200 0.355 0.000 2.051 580 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 580 E C 2.139 178.812 176.600 0.120 0.000 0.991 580 E CA 1.153 57.716 56.400 0.273 0.000 0.799 580 E CB -0.203 29.577 29.700 0.134 0.000 0.748 580 E HN 0.306 nan 8.360 nan 0.000 0.449 581 L N 0.660 121.901 121.223 0.031 0.000 2.042 581 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 581 L C 2.398 179.264 176.870 -0.008 0.000 1.076 581 L CA 1.796 56.601 54.840 -0.059 0.000 0.749 581 L CB -1.527 40.383 42.059 -0.249 0.000 0.893 581 L HN 0.084 nan 8.230 nan 0.000 0.432 582 A N -0.494 122.385 122.820 0.098 0.000 1.930 582 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 582 A C 2.451 180.149 177.584 0.189 0.000 1.175 582 A CA 1.466 53.622 52.037 0.199 0.000 0.627 582 A CB -1.084 18.113 19.000 0.328 0.000 0.815 582 A HN 0.426 nan 8.150 nan 0.000 0.443 583 G N -1.254 107.693 108.800 0.246 0.000 2.422 583 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.218 583 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.218 583 G C 1.446 176.272 174.900 -0.124 0.000 1.146 583 G CA 1.201 46.360 45.100 0.099 0.000 0.769 583 G HN 0.499 nan 8.290 nan 0.000 0.547 584 F N 2.227 122.042 119.950 -0.224 0.000 2.163 584 F HA 0.227 4.754 4.527 0.000 0.000 0.297 584 F C 2.725 178.339 175.800 -0.310 0.000 1.094 584 F CA 1.179 59.019 58.000 -0.267 0.000 1.290 584 F CB -0.270 38.583 39.000 -0.245 0.000 1.017 584 F HN 0.208 nan 8.300 nan 0.000 0.483 585 A N -0.459 122.095 122.820 -0.443 0.000 1.898 585 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 585 A C 1.429 178.496 177.584 -0.860 0.000 1.181 585 A CA 1.657 53.209 52.037 -0.808 0.000 0.620 585 A CB -1.105 17.211 19.000 -1.141 0.000 0.819 585 A HN 0.422 nan 8.150 nan 0.000 0.442 586 F N -1.957 117.885 119.950 -0.179 0.000 2.683 586 F HA 0.653 5.180 4.527 -0.000 0.000 0.306 586 F C 0.866 176.573 175.800 -0.156 0.000 1.102 586 F CA 0.004 57.926 58.000 -0.130 0.000 1.244 586 F CB 0.082 39.052 39.000 -0.050 0.000 1.029 586 F HN 0.319 nan 8.300 nan 0.000 0.545 587 A N -1.023 121.659 122.820 -0.229 0.000 3.613 587 A HA 0.587 4.907 4.320 -0.000 0.000 0.276 587 A C -0.544 176.551 177.584 -0.814 0.000 1.115 587 A CA -0.455 51.288 52.037 -0.489 0.000 0.652 587 A CB 0.645 19.359 19.000 -0.477 0.000 1.498 587 A HN 0.175 nan 8.150 nan 0.000 0.710 588 H N 1.005 119.810 119.070 -0.442 0.000 2.502 588 H HA 0.256 4.812 4.556 -0.000 0.000 0.268 588 H C -0.331 174.819 175.328 -0.297 0.000 1.177 588 H CA -0.284 55.574 56.048 -0.316 0.000 0.961 588 H CB 0.060 29.684 29.762 -0.230 0.000 1.737 588 H HN 0.311 nan 8.280 nan 0.000 0.569 589 R N 1.849 122.191 120.500 -0.264 0.000 2.537 589 R HA 0.133 4.473 4.340 -0.000 0.000 0.280 589 R C -2.464 173.840 176.300 0.007 0.000 1.058 589 R CA -1.428 54.542 56.100 -0.217 0.000 1.057 589 R CB 0.254 30.395 30.300 -0.265 0.000 0.973 589 R HN 0.148 nan 8.270 nan 0.000 0.438 590 P HA -0.047 nan 4.420 nan 0.000 0.271 590 P C 0.763 178.106 177.300 0.073 0.000 1.218 590 P CA -0.253 62.878 63.100 0.052 0.000 0.780 590 P CB 0.560 32.270 31.700 0.016 0.000 0.901 591 L N 3.590 124.870 121.223 0.095 0.000 1.990 591 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 591 L C 1.715 178.375 176.870 -0.350 0.000 1.072 591 L CA 2.265 57.022 54.840 -0.139 0.000 0.755 591 L CB -1.183 40.830 42.059 -0.076 0.000 0.889 591 L HN 0.268 nan 8.230 nan 0.000 0.432 592 L N -0.708 120.327 121.223 -0.313 0.000 2.141 592 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 592 L C 2.486 179.158 176.870 -0.330 0.000 1.094 592 L CA 1.891 56.467 54.840 -0.440 0.000 0.763 592 L CB -1.596 40.212 42.059 -0.419 0.000 0.908 592 L HN 0.327 nan 8.230 nan 0.000 0.437 593 T N -1.236 113.200 114.554 -0.197 0.000 2.867 593 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 593 T C 1.654 176.238 174.700 -0.192 0.000 1.057 593 T CA 1.448 63.470 62.100 -0.130 0.000 1.136 593 T CB -0.031 68.840 68.868 0.006 0.000 0.874 593 T HN 0.284 nan 8.240 nan 0.000 0.466 594 S N 0.991 116.531 115.700 -0.267 0.000 2.597 594 S HA 0.221 4.691 4.470 -0.000 0.000 0.224 594 S C 1.518 175.891 174.600 -0.378 0.000 0.955 594 S CA -0.314 57.692 58.200 -0.323 0.000 0.933 594 S CB -0.027 62.899 63.200 -0.456 0.000 0.788 594 S HN 0.206 nan 8.310 nan 0.000 0.488 595 L N 3.089 124.085 121.223 -0.377 0.000 1.978 595 L HA -0.107 4.233 4.340 -0.000 0.000 0.218 595 L C 2.267 178.969 176.870 -0.280 0.000 1.075 595 L CA 2.327 56.940 54.840 -0.378 0.000 0.767 595 L CB -1.341 40.460 42.059 -0.430 0.000 0.890 595 L HN 0.348 nan 8.230 nan 0.000 0.434 596 G N -1.556 107.102 108.800 -0.235 0.000 2.446 596 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 596 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 596 G C 1.599 176.393 174.900 -0.177 0.000 1.168 596 G CA 1.064 46.052 45.100 -0.187 0.000 0.771 596 G HN 0.571 nan 8.290 nan 0.000 0.551 597 C N -0.217 118.970 119.300 -0.187 0.000 2.432 597 C HA 0.064 4.524 4.460 -0.000 0.000 0.277 597 C C 2.736 177.594 174.990 -0.220 0.000 1.249 597 C CA 0.297 59.207 59.018 -0.181 0.000 1.725 597 C CB -0.954 26.686 27.740 -0.167 0.000 2.028 597 C HN 0.348 nan 8.230 nan 0.000 0.477 598 L N 0.161 121.217 121.223 -0.279 0.000 2.046 598 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 598 L C 2.289 179.030 176.870 -0.215 0.000 1.077 598 L CA 1.630 56.289 54.840 -0.301 0.000 0.747 598 L CB -1.240 40.563 42.059 -0.426 0.000 0.896 598 L HN 0.200 nan 8.230 nan 0.000 0.432 599 L N -0.910 120.200 121.223 -0.188 0.000 2.093 599 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 599 L C 2.672 179.474 176.870 -0.113 0.000 1.085 599 L CA 1.518 56.278 54.840 -0.132 0.000 0.755 599 L CB -0.633 41.359 42.059 -0.113 0.000 0.904 599 L HN 0.221 nan 8.230 nan 0.000 0.435 600 R N -1.456 118.970 120.500 -0.123 0.000 2.115 600 R HA -0.121 4.219 4.340 -0.000 0.000 0.226 600 R C 2.052 178.288 176.300 -0.107 0.000 1.100 600 R CA 0.963 57.003 56.100 -0.101 0.000 0.980 600 R CB -0.412 29.831 30.300 -0.096 0.000 0.875 600 R HN 0.216 nan 8.270 nan 0.000 0.445 601 L N 0.731 121.865 121.223 -0.149 0.000 2.027 601 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 601 L C 1.781 178.582 176.870 -0.115 0.000 1.074 601 L CA 1.652 56.392 54.840 -0.166 0.000 0.745 601 L CB -0.430 41.491 42.059 -0.229 0.000 0.898 601 L HN 0.050 nan 8.230 nan 0.000 0.433 602 L N -0.499 120.660 121.223 -0.107 0.000 2.131 602 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 602 L C 2.612 179.450 176.870 -0.052 0.000 1.092 602 L CA 1.596 56.391 54.840 -0.075 0.000 0.759 602 L CB -1.073 40.941 42.059 -0.075 0.000 0.903 602 L HN 0.450 nan 8.230 nan 0.000 0.435 603 Q N -1.853 117.915 119.800 -0.053 0.000 2.172 603 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 603 Q C 1.981 177.967 176.000 -0.024 0.000 0.964 603 Q CA 1.808 57.590 55.803 -0.035 0.000 0.855 603 Q CB -0.065 28.652 28.738 -0.036 0.000 0.918 603 Q HN 0.437 nan 8.270 nan 0.000 0.444 604 T N 0.008 114.546 114.554 -0.027 0.000 2.937 604 T HA -0.010 4.340 4.350 -0.000 0.000 0.260 604 T C 0.962 175.660 174.700 -0.003 0.000 1.051 604 T CA 0.282 62.378 62.100 -0.008 0.000 1.141 604 T CB 0.060 68.928 68.868 0.000 0.000 0.879 604 T HN 0.115 nan 8.240 nan 0.000 0.459 605 S N 1.114 116.803 115.700 -0.018 0.000 2.560 605 S HA 0.014 4.484 4.470 -0.000 0.000 0.284 605 S C 0.906 175.506 174.600 0.000 0.000 1.327 605 S CA -0.166 58.029 58.200 -0.008 0.000 1.055 605 S CB 0.567 63.752 63.200 -0.026 0.000 0.868 605 S HN 0.384 nan 8.310 nan 0.000 0.506 606 E N 2.186 122.394 120.200 0.012 0.000 2.474 606 E HA 0.114 4.464 4.350 -0.000 0.000 0.194 606 E C -0.336 176.271 176.600 0.012 0.000 1.041 606 E CA -0.190 56.218 56.400 0.013 0.000 0.874 606 E CB 0.136 29.847 29.700 0.019 0.000 0.914 606 E HN 0.393 nan 8.360 nan 0.000 0.498 607 L N 0.469 121.700 121.223 0.012 0.000 2.452 607 L HA 0.073 4.413 4.340 -0.000 0.000 0.267 607 L C 1.428 178.302 176.870 0.006 0.000 1.188 607 L CA 0.427 55.275 54.840 0.013 0.000 0.821 607 L CB 0.500 42.571 42.059 0.019 0.000 1.102 607 L HN -0.036 nan 8.230 nan 0.000 0.470 608 A N 2.764 125.589 122.820 0.009 0.000 1.858 608 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 608 A C 1.059 178.645 177.584 0.003 0.000 1.190 608 A CA 1.013 53.054 52.037 0.006 0.000 0.617 608 A CB -0.826 18.179 19.000 0.009 0.000 0.827 608 A HN 0.739 nan 8.150 nan 0.000 0.443 609 L N -0.936 120.290 121.223 0.006 0.000 3.879 609 L HA -0.182 4.158 4.340 -0.000 0.000 0.481 609 L C -1.360 175.513 176.870 0.005 0.000 1.232 609 L CA -0.046 54.797 54.840 0.004 0.000 0.736 609 L CB -1.663 40.391 42.059 -0.007 0.000 1.511 609 L HN 0.372 nan 8.230 nan 0.000 0.830 610 P HA -0.267 nan 4.420 nan 0.000 0.215 610 P C 1.509 178.818 177.300 0.015 0.000 1.153 610 P CA 2.135 65.241 63.100 0.011 0.000 0.853 610 P CB 0.241 31.948 31.700 0.012 0.000 0.788 611 A N -0.377 122.454 122.820 0.019 0.000 1.898 611 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 611 A C 2.271 179.871 177.584 0.026 0.000 1.181 611 A CA 1.330 53.384 52.037 0.027 0.000 0.620 611 A CB -1.413 17.607 19.000 0.034 0.000 0.819 611 A HN 0.074 nan 8.150 nan 0.000 0.442 612 L N -0.327 120.905 121.223 0.015 0.000 2.044 612 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 612 L C 2.584 179.448 176.870 -0.011 0.000 1.075 612 L CA 1.589 56.424 54.840 -0.010 0.000 0.747 612 L CB -1.078 40.961 42.059 -0.033 0.000 0.903 612 L HN 0.353 nan 8.230 nan 0.000 0.435 613 R N -0.994 119.502 120.500 -0.007 0.000 2.075 613 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 613 R C 2.186 178.492 176.300 0.010 0.000 1.126 613 R CA 1.183 57.281 56.100 -0.004 0.000 0.963 613 R CB -0.822 29.475 30.300 -0.005 0.000 0.858 613 R HN 0.460 nan 8.270 nan 0.000 0.435 614 G N 1.095 109.904 108.800 0.016 0.000 2.446 614 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 614 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 614 G C 1.567 176.489 174.900 0.037 0.000 1.168 614 G CA 0.805 45.917 45.100 0.021 0.000 0.771 614 G HN 0.166 nan 8.290 nan 0.000 0.551 615 R N -0.349 120.183 120.500 0.054 0.000 2.073 615 R HA 0.121 4.461 4.340 -0.000 0.000 0.229 615 R C 2.283 178.679 176.300 0.159 0.000 1.120 615 R CA 0.980 57.142 56.100 0.102 0.000 0.967 615 R CB -0.648 29.715 30.300 0.105 0.000 0.862 615 R HN 0.324 nan 8.270 nan 0.000 0.436 616 L N -0.013 121.272 121.223 0.103 0.000 2.354 616 L HA 0.202 4.542 4.340 -0.000 0.000 0.212 616 L C 1.705 178.625 176.870 0.083 0.000 1.091 616 L CA 1.441 56.354 54.840 0.121 0.000 0.828 616 L CB -0.252 41.810 42.059 0.004 0.000 0.973 616 L HN 0.219 nan 8.230 nan 0.000 0.461 617 Q N -1.361 118.463 119.800 0.040 0.000 2.353 617 Q HA 0.090 4.430 4.340 -0.000 0.000 0.240 617 Q C 1.027 177.033 176.000 0.009 0.000 0.868 617 Q CA 0.172 55.986 55.803 0.018 0.000 0.944 617 Q CB 0.603 29.341 28.738 0.000 0.000 1.104 617 Q HN 0.220 nan 8.270 nan 0.000 0.531 618 K N 0.581 120.988 120.400 0.011 0.000 2.414 618 K HA 0.188 4.508 4.320 -0.000 0.000 0.204 618 K C -0.374 176.222 176.600 -0.008 0.000 1.026 618 K CA -0.081 56.206 56.287 -0.000 0.000 1.108 618 K CB 0.629 33.130 32.500 0.001 0.000 0.855 618 K HN 0.080 nan 8.250 nan 0.000 0.517 619 N N 0.359 119.053 118.700 -0.010 0.000 2.725 619 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 619 N C -0.464 175.030 175.510 -0.026 0.000 1.103 619 N CA 0.917 53.943 53.050 -0.040 0.000 0.707 619 N CB -1.282 37.167 38.487 -0.064 0.000 1.043 619 N HN 0.340 nan 8.380 nan 0.000 0.553 620 A N 0.586 123.407 122.820 0.001 0.000 2.351 620 A HA 0.541 4.861 4.320 -0.000 0.000 0.257 620 A C 0.946 178.539 177.584 0.015 0.000 1.087 620 A CA 0.205 52.246 52.037 0.007 0.000 0.798 620 A CB 0.615 19.625 19.000 0.017 0.000 1.033 620 A HN 0.427 nan 8.150 nan 0.000 0.488 621 S N 0.359 116.067 115.700 0.013 0.000 2.672 621 S HA 0.323 4.793 4.470 -0.000 0.000 0.276 621 S C 0.146 174.768 174.600 0.037 0.000 1.207 621 S CA -0.187 58.026 58.200 0.022 0.000 1.002 621 S CB 0.976 64.183 63.200 0.012 0.000 0.998 621 S HN 0.569 nan 8.310 nan 0.000 0.542 622 D N 1.334 121.763 120.400 0.048 0.000 2.117 622 D HA -0.001 4.639 4.640 -0.000 0.000 0.197 622 D C 2.213 178.535 176.300 0.036 0.000 0.987 622 D CA 1.883 55.912 54.000 0.049 0.000 0.829 622 D CB -0.826 40.008 40.800 0.056 0.000 0.961 622 D HN 0.692 nan 8.370 nan 0.000 0.460 623 A N 0.769 123.607 122.820 0.030 0.000 1.883 623 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 623 A C 2.099 179.695 177.584 0.020 0.000 1.186 623 A CA 1.742 53.793 52.037 0.024 0.000 0.624 623 A CB -0.712 18.300 19.000 0.020 0.000 0.822 623 A HN 0.261 nan 8.150 nan 0.000 0.444 624 Q N -0.960 118.851 119.800 0.018 0.000 2.061 624 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 624 Q C 2.002 178.012 176.000 0.017 0.000 0.984 624 Q CA 1.286 57.098 55.803 0.015 0.000 0.846 624 Q CB -0.378 28.367 28.738 0.012 0.000 0.902 624 Q HN 0.465 nan 8.270 nan 0.000 0.421 625 L N 0.484 121.720 121.223 0.022 0.000 2.012 625 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 625 L C 2.431 179.314 176.870 0.022 0.000 1.073 625 L CA 1.435 56.290 54.840 0.024 0.000 0.748 625 L CB -1.164 40.914 42.059 0.032 0.000 0.891 625 L HN 0.387 nan 8.230 nan 0.000 0.431 626 C N -1.251 118.063 119.300 0.024 0.000 2.413 626 C HA -0.183 4.277 4.460 -0.000 0.000 0.277 626 C C 2.742 177.743 174.990 0.018 0.000 1.265 626 C CA 1.391 60.422 59.018 0.022 0.000 1.752 626 C CB -1.036 26.717 27.740 0.023 0.000 1.998 626 C HN 0.574 nan 8.230 nan 0.000 0.489 627 T N 0.191 114.755 114.554 0.016 0.000 2.732 627 T HA -0.133 4.217 4.350 -0.000 0.000 0.261 627 T C 1.855 176.562 174.700 0.013 0.000 1.040 627 T CA 2.071 64.179 62.100 0.014 0.000 1.145 627 T CB -0.582 68.293 68.868 0.012 0.000 0.866 627 T HN 0.553 nan 8.240 nan 0.000 0.427 628 T N 2.261 116.822 114.554 0.013 0.000 2.720 628 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 628 T C 1.418 176.125 174.700 0.012 0.000 1.037 628 T CA 0.917 63.024 62.100 0.012 0.000 1.144 628 T CB -0.246 68.629 68.868 0.011 0.000 0.864 628 T HN 0.059 nan 8.240 nan 0.000 0.444 629 L N 0.399 121.630 121.223 0.014 0.000 2.592 629 L HA 0.324 4.664 4.340 -0.000 0.000 0.227 629 L C 0.631 177.509 176.870 0.014 0.000 1.127 629 L CA 0.482 55.330 54.840 0.014 0.000 0.884 629 L CB -0.804 41.265 42.059 0.017 0.000 1.065 629 L HN 0.221 nan 8.230 nan 0.000 0.457 630 K N 0.044 120.452 120.400 0.014 0.000 3.393 630 K HA -0.171 4.149 4.320 -0.000 0.000 0.272 630 K C -0.684 175.925 176.600 0.014 0.000 1.004 630 K CA 0.231 56.526 56.287 0.013 0.000 0.764 630 K CB -1.167 31.339 32.500 0.011 0.000 1.373 630 K HN 0.005 nan 8.250 nan 0.000 0.458 631 L N 0.231 121.464 121.223 0.016 0.000 2.334 631 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 631 L C 2.014 178.894 176.870 0.017 0.000 1.020 631 L CA 0.231 55.081 54.840 0.017 0.000 0.812 631 L CB 1.512 43.582 42.059 0.019 0.000 1.264 631 L HN 0.346 nan 8.230 nan 0.000 0.439 632 S N 0.149 115.859 115.700 0.016 0.000 2.447 632 S HA 0.157 4.627 4.470 -0.000 0.000 0.233 632 S C 0.756 175.367 174.600 0.018 0.000 1.006 632 S CA 0.576 58.785 58.200 0.016 0.000 0.957 632 S CB 0.072 63.281 63.200 0.015 0.000 0.773 632 S HN 1.001 nan 8.310 nan 0.000 0.507 633 G N -0.043 108.769 108.800 0.020 0.000 2.323 633 G HA2 0.333 4.293 3.960 -0.000 0.000 0.291 633 G HA3 0.333 4.293 3.960 -0.000 0.000 0.291 633 G C -0.144 174.771 174.900 0.025 0.000 1.278 633 G CA -0.413 44.700 45.100 0.022 0.000 0.860 633 G HN -0.073 nan 8.290 nan 0.000 0.504 634 R N 0.158 120.674 120.500 0.028 0.000 2.117 634 R HA -0.030 4.310 4.340 -0.000 0.000 0.243 634 R C 1.181 177.498 176.300 0.029 0.000 1.143 634 R CA 1.480 57.599 56.100 0.032 0.000 0.968 634 R CB -0.928 29.392 30.300 0.034 0.000 0.863 634 R HN 0.530 nan 8.270 nan 0.000 0.444 638 L N 0.578 121.823 121.223 0.036 0.000 2.083 638 L HA 0.017 4.357 4.340 -0.000 0.000 0.209 638 L C 2.168 179.026 176.870 -0.019 0.000 1.083 638 L CA 2.477 57.338 54.840 0.035 0.000 0.752 638 L CB -0.673 41.405 42.059 0.032 0.000 0.899 638 L HN 0.170 nan 8.230 nan 0.000 0.433 639 V N -0.064 119.838 119.914 -0.020 0.000 2.343 639 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 639 V C 2.800 178.868 176.094 -0.044 0.000 1.051 639 V CA 1.911 64.184 62.300 -0.045 0.000 1.036 639 V CB -0.713 31.104 31.823 -0.010 0.000 0.654 639 V HN 0.529 nan 8.190 nan 0.000 0.451 640 R N 0.473 120.968 120.500 -0.009 0.000 2.096 640 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 640 R C 2.177 178.484 176.300 0.011 0.000 1.127 640 R CA 1.723 57.824 56.100 0.003 0.000 0.968 640 R CB -0.533 29.777 30.300 0.016 0.000 0.861 640 R HN 0.600 nan 8.270 nan 0.000 0.440 641 Q N -0.435 119.387 119.800 0.037 0.000 2.119 641 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 641 Q C 2.159 178.232 176.000 0.121 0.000 0.972 641 Q CA 1.631 57.503 55.803 0.115 0.000 0.847 641 Q CB -0.047 28.821 28.738 0.217 0.000 0.903 641 Q HN 0.343 nan 8.270 nan 0.000 0.433 642 R N 0.586 121.011 120.500 -0.125 0.000 2.075 642 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 642 R C 1.994 178.161 176.300 -0.222 0.000 1.126 642 R CA 1.243 57.103 56.100 -0.400 0.000 0.963 642 R CB -0.071 29.882 30.300 -0.579 0.000 0.858 642 R HN 0.355 nan 8.270 nan 0.000 0.435 643 E N 0.688 120.821 120.200 -0.113 0.000 2.106 643 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 643 E C 1.834 178.427 176.600 -0.011 0.000 0.984 643 E CA 0.989 57.362 56.400 -0.044 0.000 0.806 643 E CB 0.045 29.742 29.700 -0.004 0.000 0.750 643 E HN 0.424 nan 8.360 nan 0.000 0.458 644 E N 0.709 120.910 120.200 0.001 0.000 2.106 644 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 644 E C 2.135 178.735 176.600 0.000 0.000 0.984 644 E CA 0.824 57.234 56.400 0.016 0.000 0.806 644 E CB -0.101 29.613 29.700 0.024 0.000 0.750 644 E HN 0.220 nan 8.360 nan 0.000 0.458 645 A N 1.692 124.508 122.820 -0.007 0.000 1.902 645 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 645 A C 2.427 179.925 177.584 -0.143 0.000 1.181 645 A CA 1.705 53.711 52.037 -0.052 0.000 0.623 645 A CB -0.661 18.383 19.000 0.073 0.000 0.818 645 A HN 0.291 nan 8.150 nan 0.000 0.443 646 A N -0.580 122.121 122.820 -0.199 0.000 1.883 646 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 646 A C 2.132 179.828 177.584 0.186 0.000 1.186 646 A CA 1.839 53.785 52.037 -0.151 0.000 0.624 646 A CB -0.690 18.283 19.000 -0.045 0.000 0.822 646 A HN 0.664 nan 8.150 nan 0.000 0.444 647 Q N -0.630 119.283 119.800 0.189 0.000 2.030 647 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 647 Q C 2.456 178.556 176.000 0.168 0.000 0.986 647 Q CA 1.623 57.562 55.803 0.227 0.000 0.843 647 Q CB -0.472 28.336 28.738 0.117 0.000 0.904 647 Q HN 0.681 nan 8.270 nan 0.000 0.420 648 A N 0.596 123.450 122.820 0.056 0.000 1.948 648 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 648 A C 1.994 179.577 177.584 -0.002 0.000 1.177 648 A CA 1.299 53.342 52.037 0.010 0.000 0.636 648 A CB -0.507 18.459 19.000 -0.057 0.000 0.815 648 A HN 0.238 nan 8.150 nan 0.000 0.449 649 L N -1.933 119.251 121.223 -0.065 0.000 2.027 649 L HA -0.013 4.327 4.340 -0.000 0.000 0.206 649 L C 2.288 179.246 176.870 0.147 0.000 1.074 649 L CA 1.528 56.301 54.840 -0.111 0.000 0.745 649 L CB -1.365 40.550 42.059 -0.240 0.000 0.898 649 L HN 0.406 nan 8.230 nan 0.000 0.433 650 F N -0.132 119.924 119.950 0.177 0.000 2.134 650 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 650 F C 2.441 178.323 175.800 0.136 0.000 1.097 650 F CA 1.165 59.269 58.000 0.173 0.000 1.264 650 F CB -1.003 38.080 39.000 0.139 0.000 1.001 650 F HN 0.085 nan 8.300 nan 0.000 0.479 651 A N -1.105 121.891 122.820 0.293 0.000 2.172 651 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 651 A C 1.953 179.639 177.584 0.170 0.000 1.154 651 A CA 1.093 53.242 52.037 0.186 0.000 0.701 651 A CB -0.528 18.548 19.000 0.128 0.000 0.789 651 A HN 0.323 nan 8.150 nan 0.000 0.465 652 L N -1.452 119.902 121.223 0.218 0.000 2.362 652 L HA 0.335 4.675 4.340 -0.000 0.000 0.204 652 L C 0.019 177.044 176.870 0.258 0.000 1.060 652 L CA 1.117 56.102 54.840 0.243 0.000 0.827 652 L CB 0.025 42.272 42.059 0.314 0.000 1.027 652 L HN 0.439 nan 8.230 nan 0.000 0.474 653 N N -0.741 118.148 118.700 0.315 0.000 2.932 653 N HA 0.010 4.750 4.740 -0.000 0.000 0.242 653 N C 0.080 175.704 175.510 0.190 0.000 1.351 653 N CA 0.094 53.250 53.050 0.176 0.000 0.785 653 N CB 0.640 39.122 38.487 -0.009 0.000 1.501 653 N HN 0.115 nan 8.380 nan 0.000 0.584 654 D N 1.561 122.095 120.400 0.223 0.000 2.127 654 D HA -0.185 4.455 4.640 -0.000 0.000 0.190 654 D C 1.583 178.008 176.300 0.208 0.000 1.000 654 D CA 1.897 56.090 54.000 0.321 0.000 0.839 654 D CB 0.289 41.238 40.800 0.248 0.000 0.955 654 D HN 0.204 nan 8.370 nan 0.000 0.446 655 V N 0.133 120.103 119.914 0.095 0.000 2.343 655 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 655 V C 2.507 178.589 176.094 -0.019 0.000 1.051 655 V CA 2.478 64.799 62.300 0.036 0.000 1.036 655 V CB -0.565 31.259 31.823 0.001 0.000 0.654 655 V HN 0.275 nan 8.190 nan 0.000 0.451 656 R N -0.397 120.054 120.500 -0.081 0.000 2.081 656 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 656 R C 2.197 178.461 176.300 -0.060 0.000 1.131 656 R CA 2.534 58.532 56.100 -0.169 0.000 0.960 656 R CB -0.935 29.090 30.300 -0.459 0.000 0.856 656 R HN 0.539 nan 8.270 nan 0.000 0.436 657 T N 0.917 115.483 114.554 0.020 0.000 2.708 657 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 657 T C 1.426 176.030 174.700 -0.160 0.000 1.037 657 T CA 1.724 63.812 62.100 -0.020 0.000 1.146 657 T CB -0.218 68.434 68.868 -0.360 0.000 0.865 657 T HN 0.442 nan 8.240 nan 0.000 0.435 658 E N 0.958 121.119 120.200 -0.065 0.000 2.118 658 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 658 E C 2.502 179.034 176.600 -0.113 0.000 0.992 658 E CA 0.935 57.308 56.400 -0.045 0.000 0.804 658 E CB -0.171 29.575 29.700 0.078 0.000 0.741 658 E HN 0.444 nan 8.360 nan 0.000 0.458 659 R N 0.072 120.521 120.500 -0.085 0.000 2.115 659 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 659 R C 2.180 178.406 176.300 -0.123 0.000 1.111 659 R CA 0.597 56.640 56.100 -0.094 0.000 0.976 659 R CB -0.106 30.148 30.300 -0.077 0.000 0.870 659 R HN 0.063 nan 8.270 nan 0.000 0.445 660 L N 0.776 121.938 121.223 -0.103 0.000 2.072 660 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 660 L C 2.422 179.191 176.870 -0.168 0.000 1.079 660 L CA 1.574 56.366 54.840 -0.080 0.000 0.752 660 L CB -0.731 41.375 42.059 0.077 0.000 0.906 660 L HN 0.077 nan 8.230 nan 0.000 0.436 661 R N -0.281 120.026 120.500 -0.322 0.000 2.073 661 R HA -0.225 4.115 4.340 -0.000 0.000 0.234 661 R C 2.024 178.126 176.300 -0.330 0.000 1.134 661 R CA 2.075 57.837 56.100 -0.564 0.000 0.952 661 R CB -0.332 29.300 30.300 -1.113 0.000 0.850 661 R HN 0.365 nan 8.270 nan 0.000 0.433 662 D N -0.296 119.948 120.400 -0.260 0.000 2.149 662 D HA -0.205 4.435 4.640 -0.000 0.000 0.198 662 D C 2.113 178.279 176.300 -0.225 0.000 0.990 662 D CA 1.393 55.277 54.000 -0.194 0.000 0.839 662 D CB 0.012 40.729 40.800 -0.139 0.000 0.948 662 D HN 0.220 nan 8.370 nan 0.000 0.460 663 R N -0.119 120.212 120.500 -0.282 0.000 2.066 663 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 663 R C 2.347 178.147 176.300 -0.834 0.000 1.131 663 R CA 1.344 57.189 56.100 -0.425 0.000 0.955 663 R CB -0.274 29.806 30.300 -0.367 0.000 0.851 663 R HN 0.263 nan 8.270 nan 0.000 0.432 664 I N 0.289 120.418 120.570 -0.736 0.000 2.439 664 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 664 I C 1.993 178.004 176.117 -0.176 0.000 1.139 664 I CA 1.148 62.008 61.300 -0.733 0.000 1.438 664 I CB -0.306 37.570 38.000 -0.207 0.000 1.085 664 I HN 0.222 nan 8.210 nan 0.000 0.427 665 T N 0.500 114.985 114.554 -0.114 0.000 2.737 665 T HA -0.247 4.103 4.350 -0.000 0.000 0.269 665 T C 1.836 176.498 174.700 -0.064 0.000 1.040 665 T CA 1.476 63.568 62.100 -0.013 0.000 1.142 665 T CB -0.240 68.584 68.868 -0.073 0.000 0.861 665 T HN 0.453 nan 8.240 nan 0.000 0.456 666 Q N -0.614 119.124 119.800 -0.102 0.000 2.297 666 Q HA -0.050 4.290 4.340 -0.000 0.000 0.204 666 Q C 1.658 177.754 176.000 0.160 0.000 0.962 666 Q CA 0.699 56.493 55.803 -0.014 0.000 0.879 666 Q CB -0.050 28.684 28.738 -0.007 0.000 0.947 666 Q HN 0.594 nan 8.270 nan 0.000 0.462 667 W N 1.628 122.972 121.300 0.074 0.000 2.747 667 W HA -0.029 4.631 4.660 -0.000 0.000 0.244 667 W C 0.595 177.125 176.519 0.018 0.000 1.270 667 W CA 0.123 57.542 57.345 0.124 0.000 1.333 667 W CB -0.645 28.990 29.460 0.293 0.000 1.139 667 W HN 0.211 nan 8.180 nan 0.000 0.662 668 Q N 1.116 120.824 119.800 -0.154 0.000 2.307 668 Q HA 0.204 4.544 4.340 -0.000 0.000 0.261 668 Q C -0.710 175.117 176.000 -0.288 0.000 1.051 668 Q CA -0.361 55.081 55.803 -0.601 0.000 0.911 668 Q CB 0.353 28.424 28.738 -1.111 0.000 1.227 668 Q HN -0.145 nan 8.270 nan 0.000 0.418 669 L N 6.881 127.910 121.223 -0.324 0.000 2.278 669 L HA 0.437 4.777 4.340 -0.000 0.000 0.287 669 L C -0.850 175.593 176.870 -0.712 0.000 1.072 669 L CA 0.976 55.479 54.840 -0.562 0.000 0.819 669 L CB -0.409 41.114 42.059 -0.893 0.000 1.176 669 L HN 0.794 nan 8.230 nan 0.000 0.435 670 F N 0.000 119.941 119.950 -0.015 0.000 2.286 670 F HA 0.000 4.527 4.527 0.000 0.000 0.279 670 F CA 0.000 57.992 58.000 -0.014 0.000 1.383 670 F CB 0.000 39.000 39.000 -0.001 0.000 1.145 670 F HN 0.000 nan 8.300 nan 0.000 0.574