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 2j6l_1_E DATA FIRST_RESID 3 DATA SEQUENCE STLLINQPQY AWLKELGLRE ENEGVYNGSW GGRGEVITTY CPANNEPIAR DATA SEQUENCE VRQASVADYE ETVKKAREAW KIWADIPAPK RGEIVRQIGD ALREKIQVLG DATA SEQUENCE SLVSLEMGKI LVEGVGEVQE YVDICDYAVG LSRMIGGPIL PSERSGHALI DATA SEQUENCE EQWNPVGLVG IITAFNFPVA VYGWNNAIAM ICGNVCLWKG APTTSLISVA DATA SEQUENCE VTKIIAKVLE DNKLPGAICS LTCGGADIGT AMAKDERVNL LSFTGSTQVG DATA SEQUENCE KQVGLMVQER FGRSLLELGG NNAIIAFEDA DLSLVVPSAL FAAVGTAGQR DATA SEQUENCE CTTARRLFIH ESIHDEVVNR LKKAYAQIRV GNPWDPNVLY GPLHTKQAVS DATA SEQUENCE MFLGAVEEAK KEGGTVVYGG KVMDRPGNYV EPTIVTGLGH DASIAHTETF DATA SEQUENCE APILYVFKFQ NEEEVFAWNN EVKQGLSSSI FTKDLGRIFR WLGPKGSDCG DATA SEQUENCE IVNVNIPTSG AEIGGAFGGE KHTGGGRESG SDAWKQYMRR STCTINYS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.588 174.600 -0.020 0.000 1.055 3 S CA 0.000 58.203 58.200 0.005 0.000 1.107 3 S CB 0.000 63.214 63.200 0.023 0.000 0.593 4 T N 3.224 117.762 114.554 -0.026 0.000 2.918 4 T HA 0.448 4.798 4.350 -0.000 0.000 0.302 4 T C 0.190 174.840 174.700 -0.084 0.000 1.045 4 T CA -0.260 61.812 62.100 -0.047 0.000 1.114 4 T CB -0.144 68.703 68.868 -0.035 0.000 0.965 4 T HN 0.457 nan 8.240 nan 0.000 0.540 5 L N 6.169 127.324 121.223 -0.114 0.000 2.490 5 L HA 0.097 4.437 4.340 -0.000 0.000 0.274 5 L C 1.915 178.664 176.870 -0.201 0.000 1.201 5 L CA -0.375 54.359 54.840 -0.176 0.000 0.869 5 L CB 0.368 42.321 42.059 -0.178 0.000 1.123 5 L HN 0.776 nan 8.230 nan 0.000 0.484 6 L N 3.434 124.474 121.223 -0.305 0.000 2.081 6 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 6 L C 2.234 178.892 176.870 -0.353 0.000 1.080 6 L CA 1.451 56.019 54.840 -0.452 0.000 0.754 6 L CB -0.308 41.212 42.059 -0.899 0.000 0.893 6 L HN 0.688 nan 8.230 nan 0.000 0.433 7 I N 0.312 120.685 120.570 -0.329 0.000 2.700 7 I HA -0.263 3.907 4.170 -0.000 0.000 0.261 7 I C 1.508 177.521 176.117 -0.174 0.000 1.219 7 I CA 1.055 62.194 61.300 -0.269 0.000 1.463 7 I CB -0.084 37.758 38.000 -0.263 0.000 1.092 7 I HN 0.358 nan 8.210 nan 0.000 0.452 8 N N 0.948 119.565 118.700 -0.138 0.000 2.322 8 N HA 0.065 4.805 4.740 -0.000 0.000 0.194 8 N C -0.349 175.129 175.510 -0.053 0.000 1.126 8 N CA 0.252 53.247 53.050 -0.091 0.000 0.845 8 N CB 0.258 38.694 38.487 -0.084 0.000 0.976 8 N HN 0.511 nan 8.380 nan 0.000 0.475 9 Q N 0.420 120.205 119.800 -0.026 0.000 2.271 9 Q HA 0.260 4.600 4.340 -0.000 0.000 0.258 9 Q C -1.603 174.415 176.000 0.030 0.000 0.936 9 Q CA -1.866 53.958 55.803 0.035 0.000 0.909 9 Q CB 1.618 30.430 28.738 0.122 0.000 1.253 9 Q HN -0.057 nan 8.270 nan 0.000 0.440 10 P HA -0.341 nan 4.420 nan 0.000 0.219 10 P C 1.160 178.429 177.300 -0.050 0.000 1.158 10 P CA 1.592 64.678 63.100 -0.023 0.000 0.895 10 P CB 0.143 31.833 31.700 -0.017 0.000 0.792 11 Q N -1.536 118.206 119.800 -0.097 0.000 2.488 11 Q HA -0.139 4.201 4.340 -0.000 0.000 0.211 11 Q C 0.512 176.285 176.000 -0.377 0.000 0.967 11 Q CA 1.280 56.951 55.803 -0.220 0.000 0.926 11 Q CB -0.641 27.924 28.738 -0.288 0.000 0.992 11 Q HN 0.360 nan 8.270 nan 0.000 0.506 12 Y N -0.112 120.088 120.300 -0.166 0.000 2.636 12 Y HA 0.471 5.021 4.550 -0.000 0.000 0.260 12 Y C 1.973 177.477 175.900 -0.659 0.000 1.177 12 Y CA 0.024 57.810 58.100 -0.524 0.000 1.209 12 Y CB 0.349 38.489 38.460 -0.533 0.000 1.166 12 Y HN 0.217 nan 8.280 nan 0.000 0.531 13 A N 1.200 123.896 122.820 -0.206 0.000 2.024 13 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 13 A C 1.932 179.444 177.584 -0.120 0.000 1.164 13 A CA 1.494 53.446 52.037 -0.142 0.000 0.643 13 A CB -1.036 17.939 19.000 -0.042 0.000 0.806 13 A HN 0.837 nan 8.150 nan 0.000 0.451 14 W N -0.120 121.163 121.300 -0.029 0.000 2.341 14 W HA -0.183 4.477 4.660 -0.000 0.000 0.283 14 W C 1.171 177.676 176.519 -0.022 0.000 1.215 14 W CA 0.915 58.242 57.345 -0.030 0.000 1.211 14 W CB -1.165 28.270 29.460 -0.041 0.000 1.131 14 W HN 0.269 nan 8.180 nan 0.000 0.552 15 L N 1.532 122.437 121.223 -0.531 0.000 2.127 15 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 15 L C 2.673 179.444 176.870 -0.165 0.000 1.089 15 L CA 1.725 56.299 54.840 -0.443 0.000 0.757 15 L CB -0.662 40.998 42.059 -0.665 0.000 0.899 15 L HN -0.077 nan 8.230 nan 0.000 0.434 16 K N -0.003 120.313 120.400 -0.141 0.000 2.280 16 K HA -0.164 4.156 4.320 -0.000 0.000 0.202 16 K C 1.726 178.305 176.600 -0.035 0.000 1.047 16 K CA 0.973 57.206 56.287 -0.090 0.000 0.942 16 K CB -0.090 32.360 32.500 -0.083 0.000 0.739 16 K HN 0.404 nan 8.250 nan 0.000 0.457 17 E N 0.613 120.826 120.200 0.022 0.000 2.338 17 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 17 E C 1.224 177.845 176.600 0.035 0.000 1.007 17 E CA 0.592 57.019 56.400 0.045 0.000 0.849 17 E CB 0.048 29.806 29.700 0.098 0.000 0.774 17 E HN 0.295 nan 8.360 nan 0.000 0.506 18 L N -0.586 120.654 121.223 0.027 0.000 2.607 18 L HA 0.204 4.544 4.340 -0.000 0.000 0.228 18 L C 1.231 178.073 176.870 -0.047 0.000 1.123 18 L CA 0.173 55.021 54.840 0.013 0.000 0.890 18 L CB 0.367 42.452 42.059 0.043 0.000 1.103 18 L HN 0.239 nan 8.230 nan 0.000 0.468 19 G N 0.480 109.238 108.800 -0.071 0.000 2.143 19 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.249 19 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.249 19 G C 0.177 174.981 174.900 -0.161 0.000 0.981 19 G CA -0.187 44.841 45.100 -0.121 0.000 0.665 19 G HN 0.213 nan 8.290 nan 0.000 0.528 20 L N -0.222 120.917 121.223 -0.141 0.000 2.395 20 L HA 0.730 5.070 4.340 -0.000 0.000 0.269 20 L C 1.164 177.937 176.870 -0.161 0.000 1.133 20 L CA -0.547 54.196 54.840 -0.162 0.000 0.812 20 L CB 0.938 42.903 42.059 -0.156 0.000 1.125 20 L HN 0.233 nan 8.230 nan 0.000 0.452 21 R N 0.342 120.744 120.500 -0.162 0.000 2.947 21 R HA 0.192 4.532 4.340 -0.000 0.000 0.253 21 R C 0.562 176.775 176.300 -0.145 0.000 1.208 21 R CA -0.840 55.173 56.100 -0.145 0.000 1.012 21 R CB 1.070 31.290 30.300 -0.133 0.000 1.267 21 R HN 0.615 nan 8.270 nan 0.000 0.473 22 E N 0.937 121.060 120.200 -0.128 0.000 2.085 22 E HA -0.194 4.155 4.350 -0.000 0.000 0.194 22 E C -0.231 176.298 176.600 -0.119 0.000 0.994 22 E CA 1.476 57.801 56.400 -0.126 0.000 0.801 22 E CB 0.319 29.956 29.700 -0.105 0.000 0.743 22 E HN 0.397 nan 8.360 nan 0.000 0.453 23 E N 0.009 120.146 120.200 -0.104 0.000 2.256 23 E HA 0.250 4.600 4.350 -0.000 0.000 0.268 23 E C -1.545 174.997 176.600 -0.096 0.000 0.877 23 E CA -0.779 55.567 56.400 -0.091 0.000 0.757 23 E CB 1.057 30.716 29.700 -0.068 0.000 1.183 23 E HN 0.095 nan 8.360 nan 0.000 0.418 24 N N 3.203 121.848 118.700 -0.092 0.000 2.284 24 N HA 0.197 4.936 4.740 -0.000 0.000 0.300 24 N C -1.217 174.266 175.510 -0.044 0.000 1.047 24 N CA -0.709 52.276 53.050 -0.109 0.000 0.821 24 N CB 1.841 40.247 38.487 -0.135 0.000 1.337 24 N HN 0.464 nan 8.380 nan 0.000 0.482 25 E N 0.157 120.345 120.200 -0.019 0.000 2.415 25 E HA 0.178 4.528 4.350 -0.000 0.000 0.263 25 E C 1.031 177.783 176.600 0.253 0.000 0.995 25 E CA 0.156 56.642 56.400 0.143 0.000 0.915 25 E CB 0.488 30.352 29.700 0.274 0.000 0.951 25 E HN 0.764 nan 8.360 nan 0.000 0.449 26 G N 2.159 111.077 108.800 0.197 0.000 3.277 26 G HA2 0.167 4.127 3.960 -0.000 0.000 0.243 26 G HA3 0.167 4.127 3.960 -0.000 0.000 0.243 26 G C -0.283 174.704 174.900 0.145 0.000 1.107 26 G CA -0.184 45.013 45.100 0.161 0.000 0.771 26 G HN 0.317 nan 8.290 nan 0.000 0.544 27 V N 0.578 120.600 119.914 0.180 0.000 2.495 27 V HA 0.528 4.648 4.120 -0.000 0.000 0.298 27 V C -1.326 174.747 176.094 -0.036 0.000 1.031 27 V CA -1.059 61.278 62.300 0.062 0.000 0.871 27 V CB 1.529 33.377 31.823 0.040 0.000 0.988 27 V HN 0.236 nan 8.190 nan 0.000 0.432 28 Y N 5.119 125.159 120.300 -0.433 0.000 2.373 28 Y HA 0.575 5.124 4.550 -0.000 0.000 0.336 28 Y C 0.056 175.697 175.900 -0.432 0.000 0.979 28 Y CA -1.154 56.468 58.100 -0.797 0.000 1.080 28 Y CB 1.899 39.498 38.460 -1.435 0.000 1.190 28 Y HN 0.754 nan 8.280 nan 0.000 0.446 29 N N 2.798 120.926 118.700 -0.953 0.000 2.536 29 N HA 0.383 5.123 4.740 -0.000 0.000 0.286 29 N C 0.615 175.660 175.510 -0.775 0.000 1.577 29 N CA 0.052 52.686 53.050 -0.693 0.000 0.883 29 N CB 1.062 39.337 38.487 -0.353 0.000 1.390 29 N HN 0.952 nan 8.380 nan 0.000 0.491 30 G N -0.343 107.614 108.800 -1.404 0.000 2.308 30 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.221 30 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.221 30 G C -0.000 174.630 174.900 -0.450 0.000 1.032 30 G CA 0.203 44.860 45.100 -0.739 0.000 0.623 30 G HN 1.077 nan 8.290 nan 0.000 0.506 31 S N -1.003 114.420 115.700 -0.463 0.000 2.632 31 S HA 0.753 5.223 4.470 -0.000 0.000 0.289 31 S C -0.974 173.552 174.600 -0.123 0.000 1.115 31 S CA -0.843 57.295 58.200 -0.103 0.000 0.889 31 S CB 1.893 65.087 63.200 -0.010 0.000 1.116 31 S HN 0.560 nan 8.310 nan 0.000 0.486 32 W N 0.052 121.430 121.300 0.131 0.000 2.512 32 W HA 0.736 5.395 4.660 -0.000 0.000 0.335 32 W C 0.767 177.323 176.519 0.062 0.000 1.088 32 W CA 0.399 57.831 57.345 0.144 0.000 1.236 32 W CB 1.872 31.418 29.460 0.143 0.000 1.307 32 W HN 1.235 nan 8.180 nan 0.000 0.567 33 G N -0.282 108.705 108.800 0.312 0.000 2.510 33 G HA2 0.562 4.522 3.960 -0.000 0.000 0.277 33 G HA3 0.562 4.522 3.960 -0.000 0.000 0.277 33 G C -0.639 174.349 174.900 0.148 0.000 1.223 33 G CA -0.086 45.121 45.100 0.177 0.000 0.887 33 G HN 1.177 nan 8.290 nan 0.000 0.485 34 G N -0.973 107.881 108.800 0.090 0.000 2.588 34 G HA2 0.292 4.252 3.960 -0.000 0.000 0.239 34 G HA3 0.292 4.252 3.960 -0.000 0.000 0.239 34 G C -0.178 174.752 174.900 0.049 0.000 1.275 34 G CA -0.174 44.969 45.100 0.070 0.000 1.181 34 G HN 0.657 nan 8.290 nan 0.000 0.595 35 R N 0.721 121.246 120.500 0.041 0.000 2.397 35 R HA 0.279 4.619 4.340 -0.000 0.000 0.241 35 R C 1.722 178.037 176.300 0.026 0.000 0.914 35 R CA 0.345 56.464 56.100 0.031 0.000 1.071 35 R CB 0.977 31.295 30.300 0.029 0.000 1.116 35 R HN 0.618 nan 8.270 nan 0.000 0.524 36 G N 0.763 109.580 108.800 0.028 0.000 2.508 36 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.278 36 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.278 36 G C -0.667 174.243 174.900 0.016 0.000 1.389 36 G CA -0.499 44.614 45.100 0.022 0.000 1.050 36 G HN 0.161 nan 8.290 nan 0.000 0.522 37 E N -1.382 118.825 120.200 0.012 0.000 2.392 37 E HA 0.253 4.603 4.350 -0.000 0.000 0.264 37 E C -0.397 176.206 176.600 0.006 0.000 1.024 37 E CA -0.434 55.971 56.400 0.008 0.000 0.903 37 E CB 0.762 30.467 29.700 0.007 0.000 0.963 37 E HN 0.056 nan 8.360 nan 0.000 0.432 38 V N 6.194 126.109 119.914 0.002 0.000 2.461 38 V HA 0.240 4.360 4.120 -0.000 0.000 0.275 38 V C 0.367 176.458 176.094 -0.004 0.000 1.047 38 V CA -0.261 62.036 62.300 -0.005 0.000 0.955 38 V CB 0.931 32.748 31.823 -0.011 0.000 0.988 38 V HN 0.615 nan 8.190 nan 0.000 0.471 39 I N 4.023 124.588 120.570 -0.009 0.000 2.412 39 I HA 0.485 4.655 4.170 -0.000 0.000 0.296 39 I C 0.089 176.190 176.117 -0.027 0.000 0.987 39 I CA 0.056 61.355 61.300 -0.002 0.000 1.180 39 I CB 1.928 39.930 38.000 0.003 0.000 1.340 39 I HN 0.608 nan 8.210 nan 0.000 0.455 40 T N 4.855 119.401 114.554 -0.014 0.000 2.829 40 T HA 0.406 4.756 4.350 -0.000 0.000 0.282 40 T C -0.150 174.483 174.700 -0.112 0.000 0.990 40 T CA -0.485 61.542 62.100 -0.122 0.000 1.028 40 T CB 1.216 69.984 68.868 -0.166 0.000 0.951 40 T HN 0.715 nan 8.240 nan 0.000 0.460 41 T N 0.764 115.181 114.554 -0.227 0.000 2.925 41 T HA 0.720 5.070 4.350 -0.000 0.000 0.285 41 T C -1.089 173.391 174.700 -0.366 0.000 1.021 41 T CA -0.714 61.307 62.100 -0.131 0.000 1.042 41 T CB 0.791 69.624 68.868 -0.059 0.000 1.037 41 T HN 0.476 nan 8.240 nan 0.000 0.481 42 Y N -0.283 119.960 120.300 -0.097 0.000 2.485 42 Y HA 0.537 5.087 4.550 -0.000 0.000 0.345 42 Y C 0.602 176.450 175.900 -0.087 0.000 0.998 42 Y CA -1.276 56.764 58.100 -0.099 0.000 1.059 42 Y CB 1.618 40.018 38.460 -0.100 0.000 1.234 42 Y HN 0.998 nan 8.280 nan 0.000 0.461 43 C N 6.237 125.577 119.300 0.066 0.000 2.464 43 C HA 0.248 4.708 4.460 -0.000 0.000 0.370 43 C C -0.999 174.052 174.990 0.101 0.000 1.267 43 C CA -1.979 57.089 59.018 0.082 0.000 1.781 43 C CB -0.229 27.556 27.740 0.075 0.000 2.431 43 C HN 0.656 nan 8.230 nan 0.000 0.556 44 P HA -0.044 nan 4.420 nan 0.000 0.228 44 P C 1.105 178.410 177.300 0.009 0.000 1.151 44 P CA 1.568 64.653 63.100 -0.026 0.000 0.770 44 P CB 0.046 31.685 31.700 -0.101 0.000 0.786 45 A N 0.815 123.711 122.820 0.127 0.000 2.072 45 A HA -0.074 4.245 4.320 -0.000 0.000 0.216 45 A C 1.500 179.244 177.584 0.266 0.000 1.156 45 A CA 1.351 53.511 52.037 0.205 0.000 0.701 45 A CB -0.765 18.367 19.000 0.219 0.000 0.816 45 A HN 0.373 nan 8.150 nan 0.000 0.458 46 N N -3.270 115.564 118.700 0.222 0.000 2.036 46 N HA 0.039 4.779 4.740 -0.000 0.000 0.228 46 N C -0.088 175.498 175.510 0.128 0.000 1.368 46 N CA 0.369 53.529 53.050 0.184 0.000 0.846 46 N CB -0.905 37.715 38.487 0.221 0.000 1.145 46 N HN 0.318 nan 8.380 nan 0.000 0.502 47 N N 0.002 118.769 118.700 0.112 0.000 2.741 47 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 47 N C -1.308 174.312 175.510 0.183 0.000 1.112 47 N CA 0.945 54.051 53.050 0.093 0.000 0.750 47 N CB -0.693 37.804 38.487 0.017 0.000 1.119 47 N HN 0.415 nan 8.380 nan 0.000 0.561 48 E N 0.625 120.921 120.200 0.160 0.000 2.301 48 E HA 0.250 4.600 4.350 -0.000 0.000 0.275 48 E C -2.204 174.411 176.600 0.025 0.000 1.030 48 E CA -1.794 54.672 56.400 0.110 0.000 0.852 48 E CB 0.662 30.371 29.700 0.015 0.000 1.060 48 E HN 0.130 nan 8.360 nan 0.000 0.401 49 P HA 0.157 nan 4.420 nan 0.000 0.276 49 P C 0.404 177.447 177.300 -0.428 0.000 1.230 49 P CA 0.094 62.813 63.100 -0.634 0.000 0.776 49 P CB 0.961 32.325 31.700 -0.560 0.000 0.888 50 I N 1.588 121.887 120.570 -0.452 0.000 2.499 50 I HA 0.202 4.372 4.170 -0.000 0.000 0.243 50 I C 1.222 177.143 176.117 -0.328 0.000 1.085 50 I CA 0.949 62.023 61.300 -0.377 0.000 1.422 50 I CB -0.061 37.749 38.000 -0.318 0.000 1.165 50 I HN 0.441 nan 8.210 nan 0.000 0.440 51 A N -0.012 122.628 122.820 -0.300 0.000 2.483 51 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 51 A C -1.215 176.245 177.584 -0.208 0.000 1.077 51 A CA -0.738 51.159 52.037 -0.235 0.000 0.633 51 A CB 0.970 19.844 19.000 -0.210 0.000 1.318 51 A HN 0.029 nan 8.150 nan 0.000 0.455 52 R N -0.512 119.895 120.500 -0.156 0.000 2.778 52 R HA 0.743 5.083 4.340 -0.000 0.000 0.277 52 R C -1.516 174.730 176.300 -0.091 0.000 0.977 52 R CA -0.789 55.240 56.100 -0.118 0.000 0.950 52 R CB 2.183 32.425 30.300 -0.097 0.000 1.165 52 R HN 0.445 nan 8.270 nan 0.000 0.474 53 V N 2.377 122.252 119.914 -0.066 0.000 2.638 53 V HA 0.380 4.500 4.120 -0.000 0.000 0.306 53 V C -0.242 175.841 176.094 -0.019 0.000 1.052 53 V CA -0.988 61.287 62.300 -0.042 0.000 0.885 53 V CB 2.054 33.852 31.823 -0.041 0.000 0.999 53 V HN 0.646 nan 8.190 nan 0.000 0.424 54 R N 3.593 124.093 120.500 -0.000 0.000 2.242 54 R HA 0.393 4.733 4.340 -0.000 0.000 0.334 54 R C -0.123 176.195 176.300 0.030 0.000 1.071 54 R CA -0.281 55.828 56.100 0.015 0.000 0.922 54 R CB 0.787 31.103 30.300 0.027 0.000 1.023 54 R HN 0.682 nan 8.270 nan 0.000 0.458 55 Q N 1.020 120.832 119.800 0.020 0.000 2.316 55 Q HA 0.403 4.743 4.340 -0.000 0.000 0.215 55 Q C -0.117 175.904 176.000 0.034 0.000 1.020 55 Q CA -0.707 55.109 55.803 0.021 0.000 0.970 55 Q CB 0.892 29.636 28.738 0.010 0.000 1.187 55 Q HN 0.636 nan 8.270 nan 0.000 0.546 56 A N 1.124 123.968 122.820 0.040 0.000 2.409 56 A HA 0.326 4.646 4.320 -0.000 0.000 0.267 56 A C 0.138 177.753 177.584 0.052 0.000 1.127 56 A CA -0.335 51.736 52.037 0.057 0.000 0.795 56 A CB 0.036 19.088 19.000 0.087 0.000 1.061 56 A HN 0.654 nan 8.150 nan 0.000 0.502 57 S N 2.022 117.753 115.700 0.053 0.000 2.624 57 S HA 0.287 4.757 4.470 -0.000 0.000 0.263 57 S C 1.182 175.827 174.600 0.076 0.000 1.287 57 S CA -0.095 58.134 58.200 0.048 0.000 0.990 57 S CB 0.784 64.008 63.200 0.040 0.000 0.950 57 S HN 0.691 nan 8.310 nan 0.000 0.561 58 V N 1.542 121.492 119.914 0.060 0.000 2.332 58 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 58 V C 2.993 179.162 176.094 0.125 0.000 1.055 58 V CA 2.448 64.799 62.300 0.086 0.000 1.038 58 V CB -1.808 30.042 31.823 0.045 0.000 0.651 58 V HN 1.005 nan 8.190 nan 0.000 0.450 59 A N -0.357 122.510 122.820 0.078 0.000 1.933 59 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 59 A C 1.993 179.611 177.584 0.056 0.000 1.175 59 A CA 1.906 53.980 52.037 0.061 0.000 0.628 59 A CB -0.573 18.450 19.000 0.039 0.000 0.814 59 A HN 0.548 nan 8.150 nan 0.000 0.444 60 D N -1.503 118.935 120.400 0.064 0.000 2.097 60 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 60 D C 1.687 178.017 176.300 0.049 0.000 0.989 60 D CA 1.691 55.719 54.000 0.047 0.000 0.827 60 D CB -0.503 40.331 40.800 0.058 0.000 0.966 60 D HN 0.627 nan 8.370 nan 0.000 0.456 61 Y N 1.988 122.287 120.300 -0.002 0.000 2.145 61 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 61 Y C 2.143 178.043 175.900 0.000 0.000 1.145 61 Y CA 1.588 59.689 58.100 0.002 0.000 1.148 61 Y CB 0.020 38.485 38.460 0.010 0.000 0.981 61 Y HN -0.176 nan 8.280 nan 0.000 0.507 62 E N 0.335 120.552 120.200 0.028 0.000 2.058 62 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 62 E C 2.104 178.637 176.600 -0.111 0.000 0.997 62 E CA 1.647 58.024 56.400 -0.038 0.000 0.801 62 E CB -0.366 29.371 29.700 0.062 0.000 0.746 62 E HN 0.566 nan 8.360 nan 0.000 0.450 63 E N 0.264 120.418 120.200 -0.075 0.000 2.106 63 E HA -0.102 4.247 4.350 -0.000 0.000 0.192 63 E C 1.960 178.485 176.600 -0.125 0.000 0.984 63 E CA 1.644 57.997 56.400 -0.079 0.000 0.806 63 E CB -0.250 29.418 29.700 -0.053 0.000 0.750 63 E HN 0.101 nan 8.360 nan 0.000 0.458 64 T N -0.247 114.206 114.554 -0.169 0.000 2.737 64 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 64 T C 1.875 176.448 174.700 -0.212 0.000 1.038 64 T CA 1.331 63.316 62.100 -0.193 0.000 1.144 64 T CB -0.331 68.425 68.868 -0.186 0.000 0.866 64 T HN 0.011 nan 8.240 nan 0.000 0.434 65 V N 1.609 121.333 119.914 -0.317 0.000 2.287 65 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 65 V C 2.454 178.467 176.094 -0.136 0.000 1.053 65 V CA 1.648 63.788 62.300 -0.266 0.000 1.027 65 V CB -0.517 31.076 31.823 -0.383 0.000 0.646 65 V HN 0.479 nan 8.190 nan 0.000 0.447 66 K N 0.068 120.397 120.400 -0.117 0.000 2.032 66 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 66 K C 2.244 178.818 176.600 -0.043 0.000 1.048 66 K CA 1.727 57.977 56.287 -0.060 0.000 0.927 66 K CB -0.273 32.198 32.500 -0.048 0.000 0.712 66 K HN 0.430 nan 8.250 nan 0.000 0.441 67 K N 0.375 120.734 120.400 -0.069 0.000 2.097 67 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 67 K C 2.260 178.836 176.600 -0.039 0.000 1.049 67 K CA 1.156 57.405 56.287 -0.063 0.000 0.933 67 K CB -0.146 32.289 32.500 -0.109 0.000 0.717 67 K HN 0.141 nan 8.250 nan 0.000 0.442 68 A N 1.776 124.568 122.820 -0.048 0.000 1.902 68 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 68 A C 2.060 179.694 177.584 0.083 0.000 1.181 68 A CA 1.332 53.368 52.037 -0.002 0.000 0.623 68 A CB -0.372 18.617 19.000 -0.018 0.000 0.818 68 A HN 0.209 nan 8.150 nan 0.000 0.443 69 R N -0.612 119.925 120.500 0.062 0.000 2.115 69 R HA -0.064 4.276 4.340 -0.000 0.000 0.230 69 R C 2.019 178.435 176.300 0.194 0.000 1.111 69 R CA 1.140 57.312 56.100 0.120 0.000 0.976 69 R CB -0.220 30.102 30.300 0.037 0.000 0.870 69 R HN 0.534 nan 8.270 nan 0.000 0.445 70 E N 0.804 121.074 120.200 0.117 0.000 2.072 70 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 70 E C 2.032 178.709 176.600 0.129 0.000 0.985 70 E CA 1.275 57.742 56.400 0.112 0.000 0.801 70 E CB -0.134 29.598 29.700 0.053 0.000 0.750 70 E HN 0.305 nan 8.360 nan 0.000 0.452 71 A N 0.633 123.519 122.820 0.110 0.000 1.972 71 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 71 A C 1.939 179.640 177.584 0.195 0.000 1.169 71 A CA 1.314 53.414 52.037 0.105 0.000 0.635 71 A CB -1.051 17.973 19.000 0.040 0.000 0.810 71 A HN 0.456 nan 8.150 nan 0.000 0.446 72 W N 1.070 122.430 121.300 0.099 0.000 2.342 72 W HA -0.180 4.479 4.660 -0.000 0.000 0.297 72 W C 1.928 178.545 176.519 0.163 0.000 1.213 72 W CA 2.046 59.495 57.345 0.173 0.000 1.251 72 W CB -0.020 29.523 29.460 0.137 0.000 1.136 72 W HN 0.273 nan 8.180 nan 0.000 0.526 73 K N -0.161 120.302 120.400 0.105 0.000 2.103 73 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 73 K C 1.886 178.375 176.600 -0.185 0.000 1.048 73 K CA 2.014 58.239 56.287 -0.103 0.000 0.930 73 K CB -0.493 32.052 32.500 0.075 0.000 0.716 73 K HN 0.287 nan 8.250 nan 0.000 0.444 74 I N -0.258 120.279 120.570 -0.055 0.000 2.233 74 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 74 I C 2.378 178.486 176.117 -0.014 0.000 1.093 74 I CA 0.945 62.233 61.300 -0.019 0.000 1.380 74 I CB -0.277 37.755 38.000 0.054 0.000 1.067 74 I HN 0.403 nan 8.210 nan 0.000 0.413 75 W N 2.071 123.245 121.300 -0.210 0.000 2.381 75 W HA -0.194 4.466 4.660 -0.000 0.000 0.301 75 W C 2.442 178.794 176.519 -0.280 0.000 1.205 75 W CA 1.338 58.575 57.345 -0.181 0.000 1.285 75 W CB 0.074 29.482 29.460 -0.087 0.000 1.133 75 W HN 0.123 nan 8.180 nan 0.000 0.521 76 A N 0.504 122.989 122.820 -0.558 0.000 2.019 76 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 76 A C 1.395 178.701 177.584 -0.463 0.000 1.164 76 A CA 1.990 53.612 52.037 -0.691 0.000 0.644 76 A CB -0.838 17.364 19.000 -1.331 0.000 0.805 76 A HN 0.227 nan 8.150 nan 0.000 0.449 77 D N -0.410 119.764 120.400 -0.376 0.000 2.363 77 D HA 0.102 4.742 4.640 -0.000 0.000 0.220 77 D C 0.394 176.557 176.300 -0.228 0.000 0.994 77 D CA 0.290 54.141 54.000 -0.248 0.000 0.890 77 D CB -0.090 40.604 40.800 -0.177 0.000 0.906 77 D HN 0.458 nan 8.370 nan 0.000 0.530 78 I N 2.267 122.653 120.570 -0.307 0.000 2.396 78 I HA 0.119 4.288 4.170 -0.000 0.000 0.289 78 I C -2.040 173.878 176.117 -0.332 0.000 1.056 78 I CA -1.945 59.172 61.300 -0.305 0.000 1.365 78 I CB 0.840 38.611 38.000 -0.382 0.000 1.407 78 I HN -0.351 nan 8.210 nan 0.000 0.509 79 P HA -0.091 nan 4.420 nan 0.000 0.264 79 P C 0.460 177.615 177.300 -0.242 0.000 1.179 79 P CA 0.199 63.181 63.100 -0.198 0.000 0.763 79 P CB 0.748 32.364 31.700 -0.140 0.000 0.806 80 A N 6.255 128.944 122.820 -0.219 0.000 1.917 80 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 80 A C -0.433 177.038 177.584 -0.187 0.000 1.182 80 A CA 1.972 53.874 52.037 -0.225 0.000 0.633 80 A CB -2.409 16.476 19.000 -0.192 0.000 0.819 80 A HN 0.492 nan 8.150 nan 0.000 0.448 81 P HA -0.127 nan 4.420 nan 0.000 0.218 81 P C 1.145 178.384 177.300 -0.101 0.000 1.149 81 P CA 1.434 64.464 63.100 -0.117 0.000 0.817 81 P CB -0.026 31.614 31.700 -0.100 0.000 0.785 82 K N -0.616 119.711 120.400 -0.121 0.000 2.167 82 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 82 K C 2.195 178.740 176.600 -0.092 0.000 1.052 82 K CA 0.835 57.065 56.287 -0.094 0.000 0.956 82 K CB -0.152 32.289 32.500 -0.099 0.000 0.735 82 K HN 0.076 nan 8.250 nan 0.000 0.451 83 R N 0.221 120.595 120.500 -0.210 0.000 2.081 83 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 83 R C 2.483 178.802 176.300 0.032 0.000 1.131 83 R CA 1.371 57.350 56.100 -0.201 0.000 0.960 83 R CB -0.574 29.419 30.300 -0.513 0.000 0.856 83 R HN 0.289 nan 8.270 nan 0.000 0.436 84 G N 1.371 110.149 108.800 -0.036 0.000 2.469 84 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.219 84 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.219 84 G C 1.333 176.244 174.900 0.019 0.000 1.150 84 G CA 1.125 46.218 45.100 -0.012 0.000 0.763 84 G HN 0.317 nan 8.290 nan 0.000 0.561 85 E N 0.506 120.714 120.200 0.013 0.000 2.110 85 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 85 E C 2.384 179.021 176.600 0.061 0.000 0.988 85 E CA 0.712 57.128 56.400 0.026 0.000 0.804 85 E CB -0.260 29.448 29.700 0.014 0.000 0.745 85 E HN 0.335 nan 8.360 nan 0.000 0.458 86 I N 0.250 120.889 120.570 0.115 0.000 2.252 86 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 86 I C 2.343 178.527 176.117 0.112 0.000 1.102 86 I CA 0.711 62.099 61.300 0.147 0.000 1.385 86 I CB -1.228 36.943 38.000 0.286 0.000 1.064 86 I HN 0.079 nan 8.210 nan 0.000 0.414 87 V N 1.028 121.019 119.914 0.128 0.000 2.392 87 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 87 V C 2.763 178.884 176.094 0.045 0.000 1.059 87 V CA 1.802 64.157 62.300 0.091 0.000 1.051 87 V CB -0.859 31.027 31.823 0.106 0.000 0.658 87 V HN 0.395 nan 8.190 nan 0.000 0.455 88 R N -0.210 120.312 120.500 0.037 0.000 2.083 88 R HA -0.235 4.105 4.340 -0.000 0.000 0.237 88 R C 2.406 178.710 176.300 0.006 0.000 1.137 88 R CA 2.090 58.201 56.100 0.017 0.000 0.951 88 R CB -0.200 30.108 30.300 0.013 0.000 0.851 88 R HN 0.611 nan 8.270 nan 0.000 0.434 89 Q N -0.088 119.721 119.800 0.015 0.000 2.119 89 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 89 Q C 2.219 178.211 176.000 -0.012 0.000 0.972 89 Q CA 1.416 57.223 55.803 0.008 0.000 0.847 89 Q CB -0.041 28.711 28.738 0.023 0.000 0.903 89 Q HN 0.425 nan 8.270 nan 0.000 0.433 90 I N 0.531 121.091 120.570 -0.017 0.000 2.163 90 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 90 I C 2.369 178.400 176.117 -0.142 0.000 1.085 90 I CA 1.307 62.565 61.300 -0.071 0.000 1.347 90 I CB -0.737 37.227 38.000 -0.060 0.000 1.044 90 I HN 0.287 nan 8.210 nan 0.000 0.408 91 G N 0.476 109.207 108.800 -0.114 0.000 2.491 91 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 91 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 91 G C 1.299 176.151 174.900 -0.079 0.000 1.180 91 G CA 1.284 46.316 45.100 -0.112 0.000 0.774 91 G HN 0.294 nan 8.290 nan 0.000 0.562 92 D N 0.754 121.127 120.400 -0.045 0.000 2.144 92 D HA 0.009 4.649 4.640 -0.000 0.000 0.199 92 D C 2.806 179.087 176.300 -0.032 0.000 0.984 92 D CA 1.125 55.108 54.000 -0.028 0.000 0.834 92 D CB -0.396 40.396 40.800 -0.013 0.000 0.955 92 D HN 0.311 nan 8.370 nan 0.000 0.465 93 A N 0.461 123.256 122.820 -0.041 0.000 1.930 93 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 93 A C 2.364 179.923 177.584 -0.043 0.000 1.175 93 A CA 0.774 52.791 52.037 -0.033 0.000 0.627 93 A CB -0.668 18.316 19.000 -0.027 0.000 0.815 93 A HN 0.201 nan 8.150 nan 0.000 0.443 94 L N -1.125 120.046 121.223 -0.087 0.000 2.046 94 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 94 L C 2.838 179.683 176.870 -0.040 0.000 1.077 94 L CA 1.394 56.182 54.840 -0.087 0.000 0.747 94 L CB -0.483 41.456 42.059 -0.199 0.000 0.896 94 L HN 0.338 nan 8.230 nan 0.000 0.432 95 R N -0.203 120.274 120.500 -0.039 0.000 2.091 95 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 95 R C 2.367 178.663 176.300 -0.007 0.000 1.136 95 R CA 1.870 57.960 56.100 -0.016 0.000 0.959 95 R CB -0.345 29.947 30.300 -0.013 0.000 0.856 95 R HN 0.283 nan 8.270 nan 0.000 0.437 96 E N 0.444 120.639 120.200 -0.009 0.000 2.204 96 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 96 E C 1.211 177.814 176.600 0.005 0.000 0.990 96 E CA 0.975 57.374 56.400 -0.001 0.000 0.821 96 E CB 0.010 29.709 29.700 -0.001 0.000 0.750 96 E HN 0.277 nan 8.360 nan 0.000 0.477 97 K N -0.460 119.944 120.400 0.007 0.000 2.440 97 K HA 0.358 4.678 4.320 -0.000 0.000 0.206 97 K C 1.507 178.121 176.600 0.023 0.000 1.025 97 K CA -0.134 56.166 56.287 0.021 0.000 1.135 97 K CB 0.120 32.638 32.500 0.031 0.000 0.856 97 K HN 0.265 nan 8.250 nan 0.000 0.502 98 I N 1.020 121.597 120.570 0.012 0.000 2.286 98 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 98 I C 1.905 178.026 176.117 0.007 0.000 1.115 98 I CA 1.473 62.782 61.300 0.016 0.000 1.392 98 I CB 0.410 38.418 38.000 0.013 0.000 1.065 98 I HN 0.143 nan 8.210 nan 0.000 0.418 99 Q N 0.152 119.943 119.800 -0.014 0.000 2.016 99 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 99 Q C 2.385 178.334 176.000 -0.086 0.000 0.978 99 Q CA 2.262 58.034 55.803 -0.052 0.000 0.833 99 Q CB -0.794 27.904 28.738 -0.065 0.000 0.895 99 Q HN 0.645 nan 8.270 nan 0.000 0.427 100 V N -0.994 118.895 119.914 -0.043 0.000 2.427 100 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 100 V C 2.285 178.431 176.094 0.088 0.000 1.051 100 V CA 1.381 63.682 62.300 0.001 0.000 1.048 100 V CB -0.996 30.912 31.823 0.142 0.000 0.666 100 V HN 0.141 nan 8.190 nan 0.000 0.456 101 L N 2.529 123.801 121.223 0.083 0.000 2.056 101 L HA 0.197 4.537 4.340 -0.000 0.000 0.207 101 L C 2.465 179.391 176.870 0.094 0.000 1.078 101 L CA 2.256 57.162 54.840 0.111 0.000 0.749 101 L CB -1.405 40.714 42.059 0.100 0.000 0.901 101 L HN 0.324 nan 8.230 nan 0.000 0.433 102 G N -1.570 107.259 108.800 0.048 0.000 2.440 102 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 102 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 102 G C 1.597 176.512 174.900 0.024 0.000 1.154 102 G CA 0.927 46.051 45.100 0.039 0.000 0.767 102 G HN 0.472 nan 8.290 nan 0.000 0.552 103 S N 0.203 115.860 115.700 -0.071 0.000 2.382 103 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 103 S C 2.157 176.817 174.600 0.100 0.000 1.027 103 S CA 1.157 59.241 58.200 -0.193 0.000 0.991 103 S CB -0.268 62.433 63.200 -0.831 0.000 0.823 103 S HN 0.273 nan 8.310 nan 0.000 0.469 104 L N 1.975 123.359 121.223 0.269 0.000 2.046 104 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 104 L C 2.125 179.123 176.870 0.213 0.000 1.077 104 L CA 1.486 56.537 54.840 0.352 0.000 0.747 104 L CB -0.746 41.485 42.059 0.288 0.000 0.896 104 L HN 0.121 nan 8.230 nan 0.000 0.432 105 V N -1.080 118.930 119.914 0.159 0.000 2.287 105 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 105 V C 2.748 178.927 176.094 0.141 0.000 1.053 105 V CA 1.974 64.350 62.300 0.125 0.000 1.027 105 V CB -0.993 30.883 31.823 0.089 0.000 0.646 105 V HN 0.612 nan 8.190 nan 0.000 0.447 106 S N -0.619 115.179 115.700 0.162 0.000 2.382 106 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 106 S C 1.860 176.650 174.600 0.316 0.000 1.027 106 S CA 1.803 60.134 58.200 0.219 0.000 0.991 106 S CB -0.275 63.076 63.200 0.252 0.000 0.823 106 S HN 0.418 nan 8.310 nan 0.000 0.469 107 L N 1.459 122.866 121.223 0.306 0.000 2.023 107 L HA 0.114 4.454 4.340 -0.000 0.000 0.205 107 L C 2.335 179.321 176.870 0.194 0.000 1.073 107 L CA 2.178 57.181 54.840 0.270 0.000 0.745 107 L CB -0.640 41.551 42.059 0.220 0.000 0.900 107 L HN 0.359 nan 8.230 nan 0.000 0.435 108 E N -1.505 118.792 120.200 0.160 0.000 2.140 108 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 108 E C 2.108 178.841 176.600 0.222 0.000 0.973 108 E CA 0.578 57.058 56.400 0.133 0.000 0.829 108 E CB 0.026 29.785 29.700 0.098 0.000 0.781 108 E HN 0.411 nan 8.360 nan 0.000 0.466 109 M N -0.873 118.863 119.600 0.226 0.000 2.299 109 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 109 M C 1.318 177.782 176.300 0.273 0.000 1.095 109 M CA 2.056 57.522 55.300 0.277 0.000 1.165 109 M CB 0.561 33.223 32.600 0.104 0.000 1.349 109 M HN 0.302 nan 8.290 nan 0.000 0.446 110 G N 1.526 110.423 108.800 0.162 0.000 2.192 110 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.193 110 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.193 110 G C 0.145 175.042 174.900 -0.005 0.000 0.999 110 G CA 0.358 45.509 45.100 0.085 0.000 0.659 110 G HN 0.588 nan 8.290 nan 0.000 0.503 111 K N 1.480 121.876 120.400 -0.006 0.000 2.219 111 K HA 0.636 4.955 4.320 -0.000 0.000 0.258 111 K C 1.257 177.855 176.600 -0.003 0.000 1.008 111 K CA -0.352 55.903 56.287 -0.053 0.000 0.928 111 K CB 1.240 33.683 32.500 -0.094 0.000 0.983 111 K HN 0.771 nan 8.250 nan 0.000 0.484 112 I N -0.244 120.317 120.570 -0.015 0.000 2.938 112 I HA -0.065 4.105 4.170 -0.000 0.000 0.285 112 I C 1.114 177.260 176.117 0.050 0.000 1.182 112 I CA -0.678 60.633 61.300 0.018 0.000 1.388 112 I CB 0.403 38.412 38.000 0.015 0.000 1.390 112 I HN 0.708 nan 8.210 nan 0.000 0.600 113 L N 4.833 126.095 121.223 0.066 0.000 2.083 113 L HA -0.139 4.200 4.340 -0.000 0.000 0.209 113 L C 2.263 179.163 176.870 0.049 0.000 1.083 113 L CA 2.280 57.159 54.840 0.066 0.000 0.752 113 L CB -0.528 41.570 42.059 0.065 0.000 0.899 113 L HN 0.784 nan 8.230 nan 0.000 0.433 114 V N -3.501 116.443 119.914 0.050 0.000 2.490 114 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 114 V C 2.113 178.248 176.094 0.070 0.000 1.061 114 V CA 1.847 64.178 62.300 0.053 0.000 1.064 114 V CB -0.999 30.856 31.823 0.052 0.000 0.670 114 V HN 0.557 nan 8.190 nan 0.000 0.461 115 E N 1.215 121.460 120.200 0.075 0.000 2.158 115 E HA 0.035 4.385 4.350 -0.000 0.000 0.191 115 E C 2.313 178.954 176.600 0.068 0.000 0.982 115 E CA 0.929 57.381 56.400 0.086 0.000 0.823 115 E CB -0.353 29.388 29.700 0.069 0.000 0.766 115 E HN 0.716 nan 8.360 nan 0.000 0.468 116 G N 1.260 110.092 108.800 0.053 0.000 2.404 116 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 116 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 116 G C 1.754 176.692 174.900 0.064 0.000 1.174 116 G CA 0.562 45.696 45.100 0.056 0.000 0.780 116 G HN 0.097 nan 8.290 nan 0.000 0.537 117 V N 1.627 121.574 119.914 0.054 0.000 2.343 117 V HA -0.072 4.048 4.120 -0.000 0.000 0.247 117 V C 3.164 179.299 176.094 0.068 0.000 1.051 117 V CA 2.009 64.339 62.300 0.050 0.000 1.036 117 V CB -1.054 30.788 31.823 0.032 0.000 0.654 117 V HN 0.441 nan 8.190 nan 0.000 0.451 118 G N -1.037 107.811 108.800 0.080 0.000 2.442 118 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 118 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 118 G C 1.529 176.502 174.900 0.121 0.000 1.141 118 G CA 1.009 46.169 45.100 0.100 0.000 0.763 118 G HN 0.550 nan 8.290 nan 0.000 0.554 119 E N -0.268 120.010 120.200 0.129 0.000 2.051 119 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 119 E C 2.770 179.442 176.600 0.121 0.000 0.991 119 E CA 1.108 57.591 56.400 0.138 0.000 0.799 119 E CB -0.048 29.733 29.700 0.135 0.000 0.748 119 E HN 0.296 nan 8.360 nan 0.000 0.449 120 V N 0.900 120.885 119.914 0.118 0.000 2.343 120 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 120 V C 2.434 178.600 176.094 0.120 0.000 1.051 120 V CA 1.991 64.368 62.300 0.129 0.000 1.036 120 V CB -0.574 31.305 31.823 0.094 0.000 0.654 120 V HN 0.257 nan 8.190 nan 0.000 0.451 121 Q N 0.247 120.105 119.800 0.097 0.000 2.170 121 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 121 Q C 2.152 178.222 176.000 0.117 0.000 0.976 121 Q CA 1.717 57.572 55.803 0.087 0.000 0.858 121 Q CB -0.260 28.521 28.738 0.071 0.000 0.907 121 Q HN 0.657 nan 8.270 nan 0.000 0.433 122 E N -1.136 119.149 120.200 0.142 0.000 2.077 122 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 122 E C 1.592 178.337 176.600 0.242 0.000 0.989 122 E CA 0.977 57.488 56.400 0.186 0.000 0.800 122 E CB -0.247 29.577 29.700 0.206 0.000 0.746 122 E HN 0.434 nan 8.360 nan 0.000 0.452 123 Y N 1.632 121.953 120.300 0.036 0.000 2.200 123 Y HA -0.181 4.369 4.550 -0.000 0.000 0.290 123 Y C 2.243 178.169 175.900 0.043 0.000 1.137 123 Y CA 0.584 58.693 58.100 0.015 0.000 1.163 123 Y CB -0.610 37.833 38.460 -0.029 0.000 0.988 123 Y HN -0.207 nan 8.280 nan 0.000 0.518 124 V N 0.703 120.687 119.914 0.116 0.000 2.282 124 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 124 V C 2.196 178.341 176.094 0.085 0.000 1.057 124 V CA 2.335 64.650 62.300 0.026 0.000 1.032 124 V CB -0.650 31.183 31.823 0.016 0.000 0.645 124 V HN 0.287 nan 8.190 nan 0.000 0.447 125 D N -0.575 119.894 120.400 0.116 0.000 2.117 125 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 125 D C 1.926 178.311 176.300 0.141 0.000 0.982 125 D CA 1.072 55.137 54.000 0.108 0.000 0.828 125 D CB -0.217 40.635 40.800 0.087 0.000 0.967 125 D HN 0.428 nan 8.370 nan 0.000 0.464 126 I N 0.538 121.219 120.570 0.185 0.000 2.394 126 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 126 I C 1.995 178.250 176.117 0.229 0.000 1.136 126 I CA 0.790 62.212 61.300 0.204 0.000 1.425 126 I CB -0.090 38.062 38.000 0.253 0.000 1.079 126 I HN -0.012 nan 8.210 nan 0.000 0.425 127 C N 0.590 120.016 119.300 0.209 0.000 2.413 127 C HA -0.180 4.280 4.460 -0.000 0.000 0.276 127 C C 2.409 177.464 174.990 0.108 0.000 1.236 127 C CA 1.165 60.266 59.018 0.139 0.000 1.735 127 C CB -1.236 26.538 27.740 0.056 0.000 2.031 127 C HN 0.520 nan 8.230 nan 0.000 0.474 128 D N -0.833 119.630 120.400 0.105 0.000 2.117 128 D HA -0.137 4.502 4.640 -0.000 0.000 0.197 128 D C 1.722 178.087 176.300 0.109 0.000 0.987 128 D CA 1.256 55.307 54.000 0.084 0.000 0.829 128 D CB -0.577 40.268 40.800 0.075 0.000 0.961 128 D HN 0.660 nan 8.370 nan 0.000 0.460 129 Y N 1.675 121.983 120.300 0.014 0.000 2.128 129 Y HA -0.206 4.344 4.550 -0.000 0.000 0.284 129 Y C 2.286 178.177 175.900 -0.015 0.000 1.154 129 Y CA 1.858 59.958 58.100 -0.000 0.000 1.149 129 Y CB -0.306 38.157 38.460 0.005 0.000 0.976 129 Y HN -0.048 nan 8.280 nan 0.000 0.505 130 A N -0.796 122.086 122.820 0.103 0.000 2.019 130 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 130 A C 2.297 179.831 177.584 -0.084 0.000 1.164 130 A CA 1.720 53.751 52.037 -0.011 0.000 0.644 130 A CB -1.253 17.786 19.000 0.065 0.000 0.805 130 A HN 0.362 nan 8.150 nan 0.000 0.449 131 V N -0.170 119.714 119.914 -0.049 0.000 2.295 131 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 131 V C 2.800 178.826 176.094 -0.113 0.000 1.049 131 V CA 2.063 64.327 62.300 -0.060 0.000 1.024 131 V CB -1.380 30.427 31.823 -0.028 0.000 0.648 131 V HN 0.601 nan 8.190 nan 0.000 0.447 132 G N -0.511 108.198 108.800 -0.151 0.000 2.402 132 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 132 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 132 G C 1.545 176.293 174.900 -0.252 0.000 1.162 132 G CA 0.852 45.839 45.100 -0.189 0.000 0.777 132 G HN 0.410 nan 8.290 nan 0.000 0.539 133 L N 2.061 123.077 121.223 -0.345 0.000 2.187 133 L HA -0.062 4.278 4.340 -0.000 0.000 0.213 133 L C 3.075 179.742 176.870 -0.338 0.000 1.100 133 L CA 2.144 56.752 54.840 -0.387 0.000 0.765 133 L CB -0.478 41.316 42.059 -0.442 0.000 0.904 133 L HN 0.368 nan 8.230 nan 0.000 0.437 134 S N -1.266 114.285 115.700 -0.248 0.000 2.469 134 S HA -0.155 4.315 4.470 -0.000 0.000 0.238 134 S C 1.903 176.379 174.600 -0.206 0.000 0.998 134 S CA 0.698 58.768 58.200 -0.217 0.000 0.957 134 S CB -0.462 62.648 63.200 -0.149 0.000 0.764 134 S HN 0.552 nan 8.310 nan 0.000 0.514 135 R N -0.417 119.967 120.500 -0.193 0.000 2.393 135 R HA 0.412 4.752 4.340 -0.000 0.000 0.244 135 R C 1.200 177.396 176.300 -0.174 0.000 0.920 135 R CA 0.237 56.240 56.100 -0.161 0.000 1.076 135 R CB 0.009 30.234 30.300 -0.125 0.000 1.119 135 R HN 0.509 nan 8.270 nan 0.000 0.524 136 M N 0.163 119.620 119.600 -0.239 0.000 2.447 136 M HA 0.204 4.684 4.480 -0.000 0.000 0.255 136 M C 0.626 176.721 176.300 -0.343 0.000 1.289 136 M CA -0.052 55.102 55.300 -0.244 0.000 1.128 136 M CB 0.481 32.934 32.600 -0.243 0.000 1.540 136 M HN -0.007 nan 8.290 nan 0.000 0.557 137 I N 0.886 121.120 120.570 -0.561 0.000 2.845 137 I HA 0.481 4.651 4.170 -0.000 0.000 0.296 137 I C 0.366 176.188 176.117 -0.492 0.000 1.216 137 I CA 0.294 61.021 61.300 -0.956 0.000 1.438 137 I CB -0.220 37.006 38.000 -1.290 0.000 1.342 137 I HN 0.292 nan 8.210 nan 0.000 0.577 138 G N 3.227 111.811 108.800 -0.361 0.000 2.350 138 G HA2 0.489 4.449 3.960 -0.000 0.000 0.276 138 G HA3 0.489 4.449 3.960 -0.000 0.000 0.276 138 G C -0.917 174.191 174.900 0.346 0.000 1.313 138 G CA -0.385 44.791 45.100 0.127 0.000 0.903 138 G HN 1.127 nan 8.290 nan 0.000 0.490 139 G N -0.655 108.415 108.800 0.450 0.000 2.798 139 G HA2 0.874 4.834 3.960 -0.000 0.000 0.286 139 G HA3 0.874 4.834 3.960 -0.000 0.000 0.286 139 G C -2.927 172.124 174.900 0.251 0.000 1.389 139 G CA -0.804 44.571 45.100 0.459 0.000 0.894 139 G HN 0.672 nan 8.290 nan 0.000 0.488 140 P HA 0.389 nan 4.420 nan 0.000 0.275 140 P C -0.620 176.743 177.300 0.104 0.000 1.228 140 P CA -0.240 62.937 63.100 0.129 0.000 0.786 140 P CB 1.528 33.295 31.700 0.113 0.000 0.927 141 I N 2.514 123.131 120.570 0.079 0.000 2.325 141 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 141 I C 0.507 176.660 176.117 0.059 0.000 1.019 141 I CA -0.420 60.919 61.300 0.065 0.000 1.302 141 I CB 0.395 38.427 38.000 0.054 0.000 1.401 141 I HN 0.106 nan 8.210 nan 0.000 0.485 142 L N 8.072 129.329 121.223 0.058 0.000 2.330 142 L HA 0.560 4.900 4.340 -0.000 0.000 0.271 142 L C -2.258 174.642 176.870 0.049 0.000 1.013 142 L CA -1.894 52.977 54.840 0.050 0.000 0.816 142 L CB 1.533 43.620 42.059 0.046 0.000 1.287 142 L HN 0.370 nan 8.230 nan 0.000 0.435 143 P HA 0.099 nan 4.420 nan 0.000 0.284 143 P C -0.511 176.808 177.300 0.032 0.000 1.343 143 P CA -0.240 62.884 63.100 0.040 0.000 0.826 143 P CB 1.317 33.036 31.700 0.032 0.000 0.956 144 S N 2.104 117.828 115.700 0.040 0.000 2.562 144 S HA 0.011 4.481 4.470 -0.000 0.000 0.281 144 S C 1.449 176.044 174.600 -0.009 0.000 1.333 144 S CA -0.406 57.803 58.200 0.015 0.000 1.052 144 S CB 0.327 63.544 63.200 0.029 0.000 0.884 144 S HN 0.551 nan 8.310 nan 0.000 0.506 145 E N 3.501 123.678 120.200 -0.037 0.000 2.418 145 E HA -0.059 4.291 4.350 -0.000 0.000 0.197 145 E C -0.048 176.501 176.600 -0.084 0.000 1.026 145 E CA 0.495 56.865 56.400 -0.050 0.000 0.862 145 E CB 0.050 29.719 29.700 -0.052 0.000 0.799 145 E HN 0.507 nan 8.360 nan 0.000 0.518 146 R N 1.704 122.119 120.500 -0.141 0.000 2.207 146 R HA 0.231 4.571 4.340 -0.000 0.000 0.334 146 R C -0.366 175.874 176.300 -0.101 0.000 1.013 146 R CA -0.408 55.543 56.100 -0.249 0.000 0.858 146 R CB 1.571 31.456 30.300 -0.692 0.000 1.094 146 R HN -0.040 nan 8.270 nan 0.000 0.457 147 S N 1.920 117.595 115.700 -0.042 0.000 2.558 147 S HA 0.133 4.603 4.470 -0.000 0.000 0.293 147 S C 1.351 175.990 174.600 0.065 0.000 1.292 147 S CA 1.122 59.333 58.200 0.018 0.000 1.063 147 S CB 0.246 63.451 63.200 0.009 0.000 0.831 147 S HN 0.923 nan 8.310 nan 0.000 0.499 148 G N 3.398 112.168 108.800 -0.050 0.000 2.160 148 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.251 148 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.251 148 G C -0.235 174.078 174.900 -0.978 0.000 1.008 148 G CA 0.737 45.554 45.100 -0.472 0.000 0.724 148 G HN 0.956 nan 8.290 nan 0.000 0.514 149 H N -0.410 118.343 119.070 -0.528 0.000 2.690 149 H HA 0.773 5.329 4.556 -0.000 0.000 0.368 149 H C 0.348 175.698 175.328 0.038 0.000 1.150 149 H CA 0.199 56.067 56.048 -0.300 0.000 1.174 149 H CB 1.860 31.535 29.762 -0.145 0.000 1.684 149 H HN 0.579 nan 8.280 nan 0.000 0.538 150 A N 1.888 124.876 122.820 0.280 0.000 2.306 150 A HA 0.646 4.966 4.320 -0.000 0.000 0.330 150 A C -1.253 176.420 177.584 0.149 0.000 1.146 150 A CA -0.564 51.615 52.037 0.238 0.000 0.827 150 A CB 0.691 19.829 19.000 0.230 0.000 1.178 150 A HN 0.491 nan 8.150 nan 0.000 0.490 151 L N 2.374 123.661 121.223 0.107 0.000 2.404 151 L HA 0.723 5.063 4.340 -0.000 0.000 0.272 151 L C -1.317 175.590 176.870 0.061 0.000 0.980 151 L CA -0.022 54.861 54.840 0.072 0.000 0.836 151 L CB 0.946 43.037 42.059 0.053 0.000 1.238 151 L HN 0.597 nan 8.230 nan 0.000 0.408 152 I N 3.669 124.269 120.570 0.050 0.000 2.545 152 I HA 0.412 4.582 4.170 -0.000 0.000 0.292 152 I C -0.553 175.581 176.117 0.028 0.000 1.040 152 I CA -0.603 60.726 61.300 0.048 0.000 1.068 152 I CB 2.306 40.335 38.000 0.048 0.000 1.251 152 I HN 0.582 nan 8.210 nan 0.000 0.424 153 E N 6.281 126.509 120.200 0.046 0.000 2.081 153 E HA 0.252 4.602 4.350 -0.000 0.000 0.281 153 E C -1.033 175.585 176.600 0.030 0.000 0.986 153 E CA -0.601 55.803 56.400 0.007 0.000 0.796 153 E CB 0.933 30.674 29.700 0.068 0.000 1.085 153 E HN 0.428 nan 8.360 nan 0.000 0.398 154 Q N 3.326 123.081 119.800 -0.074 0.000 2.226 154 Q HA 0.305 4.645 4.340 -0.000 0.000 0.256 154 Q C -1.186 174.709 176.000 -0.175 0.000 0.962 154 Q CA -0.398 55.400 55.803 -0.008 0.000 0.887 154 Q CB 1.566 30.305 28.738 0.003 0.000 1.282 154 Q HN 0.526 nan 8.270 nan 0.000 0.449 155 W N 1.201 122.578 121.300 0.128 0.000 2.739 155 W HA 0.433 5.093 4.660 -0.000 0.000 0.331 155 W C -0.011 176.595 176.519 0.145 0.000 1.049 155 W CA -0.425 57.028 57.345 0.180 0.000 1.234 155 W CB 1.409 31.063 29.460 0.323 0.000 1.404 155 W HN 0.361 nan 8.180 nan 0.000 0.477 156 N N 2.844 121.752 118.700 0.346 0.000 2.262 156 N HA 0.444 5.184 4.740 -0.000 0.000 0.295 156 N C -2.799 172.907 175.510 0.326 0.000 1.161 156 N CA -1.708 51.506 53.050 0.273 0.000 0.767 156 N CB 2.516 41.121 38.487 0.197 0.000 1.499 156 N HN -0.065 nan 8.380 nan 0.000 0.476 157 P HA -0.028 nan 4.420 nan 0.000 0.268 157 P C 1.210 178.690 177.300 0.299 0.000 1.208 157 P CA -0.125 63.210 63.100 0.392 0.000 0.777 157 P CB 0.683 32.723 31.700 0.567 0.000 0.875 158 V N -0.544 119.505 119.914 0.224 0.000 2.719 158 V HA 0.237 4.357 4.120 -0.000 0.000 0.252 158 V C 1.298 177.325 176.094 -0.111 0.000 1.065 158 V CA 1.767 64.117 62.300 0.083 0.000 1.086 158 V CB -1.357 30.523 31.823 0.097 0.000 0.700 158 V HN 0.838 nan 8.190 nan 0.000 0.467 159 G N 0.662 109.357 108.800 -0.176 0.000 1.920 159 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.210 159 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.210 159 G C -0.616 174.103 174.900 -0.300 0.000 1.302 159 G CA -0.089 44.572 45.100 -0.732 0.000 1.333 159 G HN 0.778 nan 8.290 nan 0.000 0.452 160 L N 2.165 123.279 121.223 -0.182 0.000 2.265 160 L HA 0.788 5.128 4.340 -0.000 0.000 0.289 160 L C -0.161 176.742 176.870 0.055 0.000 1.033 160 L CA -0.836 53.994 54.840 -0.016 0.000 0.814 160 L CB 1.663 43.706 42.059 -0.028 0.000 1.203 160 L HN 0.480 nan 8.230 nan 0.000 0.423 161 V N 5.734 125.724 119.914 0.126 0.000 2.318 161 V HA 0.539 4.659 4.120 -0.000 0.000 0.271 161 V C 0.952 177.148 176.094 0.170 0.000 1.030 161 V CA -0.386 62.011 62.300 0.163 0.000 0.844 161 V CB 0.741 32.712 31.823 0.247 0.000 1.015 161 V HN 0.923 nan 8.190 nan 0.000 0.460 162 G N 5.198 114.095 108.800 0.162 0.000 2.432 162 G HA2 0.602 4.562 3.960 -0.000 0.000 0.257 162 G HA3 0.602 4.562 3.960 -0.000 0.000 0.257 162 G C -0.582 174.450 174.900 0.219 0.000 1.238 162 G CA -0.283 44.935 45.100 0.198 0.000 0.838 162 G HN 0.660 nan 8.290 nan 0.000 0.547 163 I N 2.381 123.114 120.570 0.272 0.000 2.468 163 I HA 0.285 4.454 4.170 -0.000 0.000 0.284 163 I C -0.512 175.818 176.117 0.355 0.000 1.038 163 I CA -0.410 61.055 61.300 0.274 0.000 1.083 163 I CB 1.885 40.029 38.000 0.239 0.000 1.223 163 I HN 0.227 nan 8.210 nan 0.000 0.443 164 I N 5.808 126.532 120.570 0.257 0.000 2.339 164 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 164 I C 0.322 176.458 176.117 0.031 0.000 0.994 164 I CA -0.266 61.151 61.300 0.195 0.000 1.191 164 I CB 1.855 39.993 38.000 0.230 0.000 1.343 164 I HN 0.562 nan 8.210 nan 0.000 0.458 165 T N 2.710 117.338 114.554 0.124 0.000 2.932 165 T HA 0.833 5.183 4.350 -0.000 0.000 0.289 165 T C -0.165 174.527 174.700 -0.013 0.000 1.039 165 T CA -0.817 61.324 62.100 0.067 0.000 1.024 165 T CB 2.045 71.084 68.868 0.286 0.000 1.090 165 T HN 0.568 nan 8.240 nan 0.000 0.496 166 A N 1.275 124.050 122.820 -0.076 0.000 2.257 166 A HA 0.640 4.960 4.320 -0.000 0.000 0.289 166 A C 0.827 178.370 177.584 -0.069 0.000 1.095 166 A CA -0.880 51.096 52.037 -0.101 0.000 0.836 166 A CB -0.114 18.757 19.000 -0.215 0.000 1.111 166 A HN 1.127 nan 8.150 nan 0.000 0.497 167 F N 0.587 120.493 119.950 -0.074 0.000 2.407 167 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 167 F C 1.620 177.283 175.800 -0.229 0.000 1.097 167 F CA 1.223 59.118 58.000 -0.176 0.000 1.422 167 F CB -0.480 38.313 39.000 -0.345 0.000 1.067 167 F HN 0.519 nan 8.300 nan 0.000 0.539 168 N N 0.173 118.301 118.700 -0.953 0.000 2.415 168 N HA -0.074 4.666 4.740 -0.000 0.000 0.176 168 N C -0.259 174.851 175.510 -0.666 0.000 1.042 168 N CA 0.490 53.025 53.050 -0.857 0.000 0.902 168 N CB -0.641 37.337 38.487 -0.849 0.000 0.986 168 N HN 0.370 nan 8.380 nan 0.000 0.447 169 F N 1.297 121.109 119.950 -0.231 0.000 2.531 169 F HA 0.434 4.961 4.527 -0.000 0.000 0.333 169 F C -1.724 173.992 175.800 -0.141 0.000 1.292 169 F CA -2.013 55.876 58.000 -0.184 0.000 1.184 169 F CB 1.906 40.749 39.000 -0.261 0.000 1.426 169 F HN -0.096 nan 8.300 nan 0.000 0.559 170 P HA -0.031 nan 4.420 nan 0.000 0.233 170 P C 1.097 178.526 177.300 0.215 0.000 1.167 170 P CA 0.921 64.094 63.100 0.122 0.000 0.770 170 P CB 0.840 32.596 31.700 0.093 0.000 0.837 171 V N 0.049 120.034 119.914 0.119 0.000 2.743 171 V HA 0.147 4.267 4.120 -0.000 0.000 0.237 171 V C 2.689 178.691 176.094 -0.154 0.000 1.113 171 V CA 1.387 63.751 62.300 0.107 0.000 1.141 171 V CB -1.207 30.712 31.823 0.158 0.000 0.873 171 V HN -0.001 nan 8.190 nan 0.000 0.486 172 A N 0.118 122.781 122.820 -0.262 0.000 1.930 172 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 172 A C 2.311 179.105 177.584 -1.317 0.000 1.175 172 A CA 1.872 53.492 52.037 -0.695 0.000 0.627 172 A CB -0.580 18.037 19.000 -0.638 0.000 0.815 172 A HN 0.280 nan 8.150 nan 0.000 0.443 173 V N -1.196 118.102 119.914 -1.027 0.000 2.295 173 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 173 V C 2.360 178.124 176.094 -0.549 0.000 1.049 173 V CA 2.193 63.966 62.300 -0.879 0.000 1.024 173 V CB -1.049 30.540 31.823 -0.391 0.000 0.648 173 V HN 0.723 nan 8.190 nan 0.000 0.447 174 Y N 1.954 121.887 120.300 -0.612 0.000 2.128 174 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 174 Y C 2.341 177.727 175.900 -0.857 0.000 1.154 174 Y CA 1.796 59.407 58.100 -0.815 0.000 1.149 174 Y CB -0.991 36.616 38.460 -1.422 0.000 0.976 174 Y HN 0.187 nan 8.280 nan 0.000 0.505 175 G N -0.230 107.819 108.800 -1.252 0.000 2.440 175 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 175 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 175 G C 1.337 175.757 174.900 -0.799 0.000 1.154 175 G CA 1.014 45.002 45.100 -1.853 0.000 0.767 175 G HN 0.526 nan 8.290 nan 0.000 0.552 176 W N 1.311 122.301 121.300 -0.517 0.000 2.358 176 W HA -0.015 4.645 4.660 -0.000 0.000 0.303 176 W C 2.441 178.776 176.519 -0.306 0.000 1.208 176 W CA 0.688 57.851 57.345 -0.302 0.000 1.274 176 W CB -1.110 28.220 29.460 -0.217 0.000 1.138 176 W HN 0.229 nan 8.180 nan 0.000 0.515 177 N N 0.243 118.874 118.700 -0.115 0.000 2.106 177 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 177 N C 1.617 176.926 175.510 -0.335 0.000 1.029 177 N CA 1.326 54.295 53.050 -0.136 0.000 0.848 177 N CB -0.983 37.465 38.487 -0.065 0.000 1.007 177 N HN 0.284 nan 8.380 nan 0.000 0.423 178 N N 1.629 119.967 118.700 -0.604 0.000 2.043 178 N HA -0.153 4.586 4.740 -0.000 0.000 0.193 178 N C 1.707 177.094 175.510 -0.205 0.000 1.037 178 N CA 1.644 54.379 53.050 -0.524 0.000 0.851 178 N CB -0.060 37.890 38.487 -0.896 0.000 1.027 178 N HN 0.124 nan 8.380 nan 0.000 0.422 179 A N 1.610 124.355 122.820 -0.125 0.000 1.883 179 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 179 A C 2.301 179.867 177.584 -0.029 0.000 1.186 179 A CA 1.185 53.237 52.037 0.025 0.000 0.624 179 A CB -0.499 18.574 19.000 0.121 0.000 0.822 179 A HN 0.363 nan 8.150 nan 0.000 0.444 180 I N -0.245 120.240 120.570 -0.141 0.000 2.233 180 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 180 I C 2.983 178.927 176.117 -0.288 0.000 1.093 180 I CA 1.342 62.505 61.300 -0.229 0.000 1.380 180 I CB -1.703 36.072 38.000 -0.374 0.000 1.067 180 I HN 0.355 nan 8.210 nan 0.000 0.413 181 A N 0.927 123.510 122.820 -0.394 0.000 1.908 181 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 181 A C 2.357 180.022 177.584 0.135 0.000 1.181 181 A CA 1.605 53.580 52.037 -0.103 0.000 0.627 181 A CB -0.479 18.552 19.000 0.052 0.000 0.818 181 A HN 0.275 nan 8.150 nan 0.000 0.445 182 M N -0.213 119.473 119.600 0.144 0.000 2.067 182 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 182 M C 2.376 178.888 176.300 0.352 0.000 1.069 182 M CA 2.003 57.528 55.300 0.375 0.000 1.117 182 M CB -1.219 31.558 32.600 0.295 0.000 1.334 182 M HN 0.701 nan 8.290 nan 0.000 0.407 183 I N -2.119 118.535 120.570 0.140 0.000 2.493 183 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 183 I C 2.083 178.182 176.117 -0.030 0.000 1.160 183 I CA 1.222 62.532 61.300 0.018 0.000 1.445 183 I CB -0.974 36.997 38.000 -0.049 0.000 1.086 183 I HN 0.108 nan 8.210 nan 0.000 0.433 184 C N 2.322 121.648 119.300 0.044 0.000 2.539 184 C HA 0.394 4.854 4.460 -0.000 0.000 0.271 184 C C 1.925 177.009 174.990 0.156 0.000 1.412 184 C CA 0.467 59.543 59.018 0.097 0.000 1.729 184 C CB -1.745 26.118 27.740 0.206 0.000 1.739 184 C HN 0.938 nan 8.230 nan 0.000 0.570 185 G N 1.411 110.290 108.800 0.131 0.000 2.132 185 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.234 185 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.234 185 G C -0.300 174.893 174.900 0.488 0.000 0.989 185 G CA -0.221 44.918 45.100 0.065 0.000 0.676 185 G HN 0.545 nan 8.290 nan 0.000 0.522 186 N N -0.160 118.904 118.700 0.607 0.000 2.466 186 N HA 0.613 5.353 4.740 -0.000 0.000 0.294 186 N C 0.559 176.435 175.510 0.609 0.000 1.129 186 N CA 0.204 53.637 53.050 0.638 0.000 0.931 186 N CB 2.367 41.101 38.487 0.411 0.000 1.193 186 N HN 0.646 nan 8.380 nan 0.000 0.500 187 V N -1.776 118.432 119.914 0.490 0.000 2.837 187 V HA 0.633 4.752 4.120 -0.000 0.000 0.310 187 V C 0.062 176.252 176.094 0.160 0.000 1.059 187 V CA -0.652 61.773 62.300 0.208 0.000 1.004 187 V CB 1.066 33.008 31.823 0.197 0.000 1.045 187 V HN 0.619 nan 8.190 nan 0.000 0.465 188 C N 3.677 123.041 119.300 0.106 0.000 2.561 188 C HA 0.827 5.287 4.460 -0.000 0.000 0.319 188 C C -0.412 174.679 174.990 0.167 0.000 1.198 188 C CA -0.484 58.625 59.018 0.151 0.000 1.665 188 C CB 0.896 28.731 27.740 0.159 0.000 2.258 188 C HN 0.978 nan 8.230 nan 0.000 0.493 189 L N 2.943 124.290 121.223 0.206 0.000 2.404 189 L HA 0.666 5.006 4.340 -0.000 0.000 0.272 189 L C -1.429 175.648 176.870 0.344 0.000 0.980 189 L CA -0.091 54.881 54.840 0.219 0.000 0.836 189 L CB 0.827 42.971 42.059 0.141 0.000 1.238 189 L HN 0.817 nan 8.230 nan 0.000 0.408 190 W N 6.270 127.638 121.300 0.113 0.000 2.433 190 W HA 0.521 5.181 4.660 -0.000 0.000 0.315 190 W C -0.862 175.682 176.519 0.042 0.000 1.087 190 W CA -1.079 56.312 57.345 0.075 0.000 1.205 190 W CB 1.183 30.552 29.460 -0.151 0.000 1.288 190 W HN 0.605 nan 8.180 nan 0.000 0.504 191 K N 5.165 125.734 120.400 0.282 0.000 2.572 191 K HA 0.483 4.803 4.320 -0.000 0.000 0.244 191 K C 0.220 176.781 176.600 -0.064 0.000 0.965 191 K CA -0.395 55.894 56.287 0.003 0.000 0.943 191 K CB 0.493 33.051 32.500 0.096 0.000 1.154 191 K HN 0.705 nan 8.250 nan 0.000 0.447 192 G N 1.798 110.326 108.800 -0.453 0.000 2.621 192 G HA2 0.432 4.392 3.960 -0.000 0.000 0.271 192 G HA3 0.432 4.392 3.960 -0.000 0.000 0.271 192 G C -0.499 174.351 174.900 -0.083 0.000 1.236 192 G CA -0.620 44.325 45.100 -0.258 0.000 0.958 192 G HN 0.708 nan 8.290 nan 0.000 0.512 193 A N 0.517 123.340 122.820 0.006 0.000 2.520 193 A HA 0.437 4.757 4.320 -0.000 0.000 0.245 193 A C -0.901 176.704 177.584 0.035 0.000 1.072 193 A CA -0.663 51.411 52.037 0.062 0.000 0.761 193 A CB 0.365 19.454 19.000 0.149 0.000 1.004 193 A HN 0.391 nan 8.150 nan 0.000 0.499 194 P HA -0.148 nan 4.420 nan 0.000 0.218 194 P C 1.439 178.768 177.300 0.048 0.000 1.148 194 P CA 2.079 65.192 63.100 0.023 0.000 0.822 194 P CB -0.093 31.624 31.700 0.029 0.000 0.784 195 T N -5.044 109.576 114.554 0.109 0.000 3.160 195 T HA 0.003 4.353 4.350 -0.000 0.000 0.257 195 T C 0.970 175.788 174.700 0.196 0.000 1.147 195 T CA 1.086 63.276 62.100 0.150 0.000 1.064 195 T CB -1.186 67.806 68.868 0.206 0.000 0.949 195 T HN 0.195 nan 8.240 nan 0.000 0.526 196 T N -2.008 112.628 114.554 0.136 0.000 3.415 196 T HA 0.406 4.756 4.350 -0.000 0.000 0.282 196 T C 1.357 176.051 174.700 -0.011 0.000 1.007 196 T CA -0.435 61.721 62.100 0.094 0.000 0.958 196 T CB 0.099 69.032 68.868 0.108 0.000 1.171 196 T HN 0.100 nan 8.240 nan 0.000 0.500 197 S N 1.298 116.978 115.700 -0.034 0.000 2.382 197 S HA 0.039 4.509 4.470 -0.000 0.000 0.228 197 S C 1.804 176.349 174.600 -0.093 0.000 1.027 197 S CA 0.967 59.111 58.200 -0.093 0.000 0.991 197 S CB -0.368 62.792 63.200 -0.067 0.000 0.823 197 S HN 0.534 nan 8.310 nan 0.000 0.469 198 L N 0.751 121.939 121.223 -0.059 0.000 2.093 198 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 198 L C 2.149 179.001 176.870 -0.029 0.000 1.085 198 L CA 1.019 55.825 54.840 -0.057 0.000 0.755 198 L CB -0.565 41.456 42.059 -0.064 0.000 0.904 198 L HN 0.293 nan 8.230 nan 0.000 0.435 199 I N -0.719 119.851 120.570 -0.001 0.000 2.179 199 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 199 I C 2.621 178.752 176.117 0.023 0.000 1.088 199 I CA 1.254 62.585 61.300 0.051 0.000 1.357 199 I CB -0.256 37.799 38.000 0.090 0.000 1.051 199 I HN 0.162 nan 8.210 nan 0.000 0.409 200 S N 0.262 115.864 115.700 -0.163 0.000 2.370 200 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 200 S C 2.106 176.565 174.600 -0.235 0.000 1.033 200 S CA 1.334 59.206 58.200 -0.548 0.000 1.011 200 S CB -0.378 62.227 63.200 -0.992 0.000 0.852 200 S HN 0.229 nan 8.310 nan 0.000 0.457 201 V N 2.006 121.859 119.914 -0.101 0.000 2.343 201 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 201 V C 2.666 178.806 176.094 0.077 0.000 1.051 201 V CA 1.702 64.030 62.300 0.048 0.000 1.036 201 V CB -1.238 30.583 31.823 -0.003 0.000 0.654 201 V HN 0.547 nan 8.190 nan 0.000 0.451 202 A N -0.266 122.579 122.820 0.041 0.000 1.902 202 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 202 A C 2.394 180.054 177.584 0.127 0.000 1.181 202 A CA 2.108 54.181 52.037 0.060 0.000 0.623 202 A CB -0.688 18.350 19.000 0.063 0.000 0.818 202 A HN 0.332 nan 8.150 nan 0.000 0.443 203 V N -0.299 119.736 119.914 0.201 0.000 2.295 203 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 203 V C 2.745 179.003 176.094 0.274 0.000 1.049 203 V CA 2.486 64.959 62.300 0.288 0.000 1.024 203 V CB -1.319 30.786 31.823 0.471 0.000 0.648 203 V HN 0.603 nan 8.190 nan 0.000 0.447 204 T N -0.378 114.351 114.554 0.293 0.000 2.759 204 T HA -0.239 4.110 4.350 -0.000 0.000 0.269 204 T C 1.920 176.718 174.700 0.164 0.000 1.042 204 T CA 1.604 63.840 62.100 0.227 0.000 1.140 204 T CB -0.250 68.742 68.868 0.207 0.000 0.864 204 T HN 0.474 nan 8.240 nan 0.000 0.455 205 K N 0.474 121.009 120.400 0.225 0.000 2.063 205 K HA -0.017 4.303 4.320 -0.000 0.000 0.208 205 K C 2.190 178.831 176.600 0.067 0.000 1.048 205 K CA 1.199 57.570 56.287 0.139 0.000 0.928 205 K CB -0.333 32.163 32.500 -0.006 0.000 0.713 205 K HN 0.333 nan 8.250 nan 0.000 0.442 206 I N 0.837 121.451 120.570 0.074 0.000 2.179 206 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 206 I C 2.193 178.337 176.117 0.044 0.000 1.088 206 I CA 1.319 62.649 61.300 0.050 0.000 1.357 206 I CB -0.189 37.842 38.000 0.051 0.000 1.051 206 I HN 0.115 nan 8.210 nan 0.000 0.409 207 I N 0.510 121.124 120.570 0.072 0.000 2.252 207 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 207 I C 2.800 178.938 176.117 0.035 0.000 1.102 207 I CA 1.139 62.480 61.300 0.067 0.000 1.385 207 I CB -0.529 37.553 38.000 0.137 0.000 1.064 207 I HN 0.168 nan 8.210 nan 0.000 0.414 208 A N 1.044 123.852 122.820 -0.020 0.000 1.917 208 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 208 A C 2.400 180.006 177.584 0.037 0.000 1.182 208 A CA 2.333 54.328 52.037 -0.069 0.000 0.633 208 A CB -0.653 18.115 19.000 -0.387 0.000 0.819 208 A HN 0.408 nan 8.150 nan 0.000 0.448 209 K N -0.422 120.000 120.400 0.037 0.000 2.057 209 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 209 K C 1.814 178.441 176.600 0.044 0.000 1.049 209 K CA 1.590 57.905 56.287 0.047 0.000 0.931 209 K CB -0.277 32.243 32.500 0.033 0.000 0.714 209 K HN 0.246 nan 8.250 nan 0.000 0.440 210 V N 1.906 121.842 119.914 0.036 0.000 2.295 210 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 210 V C 2.366 178.485 176.094 0.043 0.000 1.049 210 V CA 1.671 63.991 62.300 0.034 0.000 1.024 210 V CB -0.402 31.437 31.823 0.026 0.000 0.648 210 V HN 0.322 nan 8.190 nan 0.000 0.447 211 L N -0.372 120.876 121.223 0.042 0.000 2.042 211 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 211 L C 2.584 179.490 176.870 0.061 0.000 1.076 211 L CA 1.809 56.673 54.840 0.041 0.000 0.749 211 L CB -0.714 41.364 42.059 0.030 0.000 0.893 211 L HN 0.379 nan 8.230 nan 0.000 0.432 212 E N 0.133 120.379 120.200 0.078 0.000 2.038 212 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 212 E C 1.799 178.435 176.600 0.061 0.000 1.000 212 E CA 1.611 58.059 56.400 0.079 0.000 0.803 212 E CB -0.107 29.649 29.700 0.093 0.000 0.750 212 E HN 0.430 nan 8.360 nan 0.000 0.448 213 D N 0.184 120.616 120.400 0.053 0.000 2.218 213 D HA -0.088 4.552 4.640 -0.000 0.000 0.204 213 D C 1.080 177.406 176.300 0.044 0.000 0.976 213 D CA 0.733 54.759 54.000 0.044 0.000 0.853 213 D CB -0.188 40.634 40.800 0.037 0.000 0.939 213 D HN 0.118 nan 8.370 nan 0.000 0.481 214 N N 0.572 119.303 118.700 0.052 0.000 2.314 214 N HA 0.017 4.757 4.740 -0.000 0.000 0.200 214 N C -0.279 175.268 175.510 0.061 0.000 1.135 214 N CA 0.061 53.146 53.050 0.058 0.000 0.835 214 N CB 0.522 39.054 38.487 0.075 0.000 0.989 214 N HN 0.155 nan 8.380 nan 0.000 0.478 215 K N 0.427 120.859 120.400 0.055 0.000 3.096 215 K HA -0.160 4.160 4.320 -0.000 0.000 0.266 215 K C -0.685 175.949 176.600 0.057 0.000 1.043 215 K CA 0.507 56.825 56.287 0.051 0.000 0.758 215 K CB -1.517 31.009 32.500 0.043 0.000 1.260 215 K HN 0.261 nan 8.250 nan 0.000 0.481 216 L N 0.574 121.834 121.223 0.061 0.000 2.330 216 L HA 0.500 4.840 4.340 -0.000 0.000 0.271 216 L C -1.872 175.018 176.870 0.032 0.000 1.013 216 L CA -2.519 52.358 54.840 0.061 0.000 0.816 216 L CB 1.116 43.216 42.059 0.068 0.000 1.287 216 L HN -0.139 nan 8.230 nan 0.000 0.435 217 P HA 0.029 nan 4.420 nan 0.000 0.267 217 P C 0.588 177.861 177.300 -0.044 0.000 1.209 217 P CA -0.030 63.061 63.100 -0.015 0.000 0.763 217 P CB 0.859 32.551 31.700 -0.012 0.000 0.816 218 G N 3.011 111.786 108.800 -0.042 0.000 2.443 218 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 218 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 218 G C 1.381 176.215 174.900 -0.111 0.000 1.131 218 G CA 0.630 45.734 45.100 0.007 0.000 0.775 218 G HN 0.580 nan 8.290 nan 0.000 0.547 219 A N 0.469 123.167 122.820 -0.204 0.000 2.216 219 A HA 0.197 4.516 4.320 -0.000 0.000 0.214 219 A C 2.175 179.697 177.584 -0.103 0.000 1.160 219 A CA 0.436 52.357 52.037 -0.192 0.000 0.725 219 A CB -0.307 18.590 19.000 -0.170 0.000 0.784 219 A HN 0.397 nan 8.150 nan 0.000 0.472 220 I N -0.918 119.571 120.570 -0.136 0.000 2.315 220 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 220 I C 0.282 176.308 176.117 -0.151 0.000 1.125 220 I CA 0.662 61.813 61.300 -0.248 0.000 1.392 220 I CB -0.168 37.482 38.000 -0.584 0.000 1.065 220 I HN 0.304 nan 8.210 nan 0.000 0.424 221 C N 0.953 120.231 119.300 -0.038 0.000 2.816 221 C HA 0.406 4.865 4.460 -0.000 0.000 0.255 221 C C 0.580 175.679 174.990 0.181 0.000 1.141 221 C CA -0.870 58.210 59.018 0.103 0.000 1.554 221 C CB -0.623 27.200 27.740 0.139 0.000 1.778 221 C HN 0.169 nan 8.230 nan 0.000 0.429 222 S N 1.639 117.413 115.700 0.123 0.000 2.632 222 S HA 0.718 5.188 4.470 -0.000 0.000 0.271 222 S C -0.476 174.210 174.600 0.144 0.000 1.260 222 S CA -0.391 57.852 58.200 0.072 0.000 1.010 222 S CB 1.284 64.466 63.200 -0.030 0.000 0.965 222 S HN 0.599 nan 8.310 nan 0.000 0.534 223 L N 2.386 123.649 121.223 0.067 0.000 2.410 223 L HA 0.631 4.971 4.340 -0.000 0.000 0.270 223 L C -0.599 176.272 176.870 0.003 0.000 0.983 223 L CA -0.070 54.797 54.840 0.045 0.000 0.822 223 L CB 2.002 44.053 42.059 -0.013 0.000 1.285 223 L HN 0.749 nan 8.230 nan 0.000 0.409 224 T N 1.044 115.611 114.554 0.022 0.000 3.068 224 T HA 0.386 4.736 4.350 -0.000 0.000 0.364 224 T C -0.097 174.606 174.700 0.004 0.000 1.161 224 T CA -0.464 61.662 62.100 0.044 0.000 1.155 224 T CB -0.187 68.766 68.868 0.141 0.000 1.060 224 T HN 0.617 nan 8.240 nan 0.000 0.513 225 C N 2.869 122.147 119.300 -0.037 0.000 2.653 225 C HA 0.799 5.259 4.460 -0.000 0.000 0.421 225 C C 1.484 176.462 174.990 -0.019 0.000 1.334 225 C CA 0.795 59.771 59.018 -0.071 0.000 1.885 225 C CB -0.596 27.102 27.740 -0.070 0.000 2.645 225 C HN 1.283 nan 8.230 nan 0.000 0.601 226 G N 1.792 110.578 108.800 -0.023 0.000 2.321 226 G HA2 0.575 4.535 3.960 -0.000 0.000 0.296 226 G HA3 0.575 4.535 3.960 -0.000 0.000 0.296 226 G C -0.497 174.405 174.900 0.004 0.000 1.287 226 G CA 0.111 45.209 45.100 -0.002 0.000 0.846 226 G HN 0.992 nan 8.290 nan 0.000 0.508 227 G N -1.325 107.482 108.800 0.011 0.000 3.019 227 G HA2 0.655 4.615 3.960 -0.000 0.000 0.152 227 G HA3 0.655 4.615 3.960 -0.000 0.000 0.152 227 G C 1.549 176.468 174.900 0.030 0.000 1.320 227 G CA 0.897 46.013 45.100 0.025 0.000 1.013 227 G HN 1.647 nan 8.290 nan 0.000 0.593 228 A N -0.279 122.560 122.820 0.032 0.000 1.978 228 A HA -0.041 4.279 4.320 -0.000 0.000 0.220 228 A C 1.936 179.518 177.584 -0.002 0.000 1.170 228 A CA 2.370 54.425 52.037 0.030 0.000 0.636 228 A CB -0.585 18.431 19.000 0.026 0.000 0.810 228 A HN 0.446 nan 8.150 nan 0.000 0.448 229 D N 0.131 120.520 120.400 -0.018 0.000 2.097 229 D HA -0.132 4.507 4.640 -0.000 0.000 0.195 229 D C 1.879 178.121 176.300 -0.096 0.000 0.989 229 D CA 1.113 55.083 54.000 -0.050 0.000 0.827 229 D CB -0.266 40.508 40.800 -0.043 0.000 0.966 229 D HN 0.356 nan 8.370 nan 0.000 0.456 230 I N 0.901 121.420 120.570 -0.085 0.000 2.353 230 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 230 I C 2.493 178.544 176.117 -0.110 0.000 1.119 230 I CA 0.948 62.160 61.300 -0.147 0.000 1.417 230 I CB -1.345 36.630 38.000 -0.042 0.000 1.078 230 I HN -0.019 nan 8.210 nan 0.000 0.421 231 G N 0.467 109.261 108.800 -0.009 0.000 2.418 231 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 231 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 231 G C 1.679 176.584 174.900 0.009 0.000 1.158 231 G CA 1.383 46.517 45.100 0.057 0.000 0.771 231 G HN 0.305 nan 8.290 nan 0.000 0.545 232 T N 1.509 116.041 114.554 -0.036 0.000 2.777 232 T HA 0.097 4.447 4.350 -0.000 0.000 0.266 232 T C 2.830 177.476 174.700 -0.090 0.000 1.040 232 T CA 1.324 63.390 62.100 -0.057 0.000 1.141 232 T CB -0.334 68.500 68.868 -0.058 0.000 0.868 232 T HN 0.369 nan 8.240 nan 0.000 0.444 233 A N 1.608 124.324 122.820 -0.174 0.000 1.883 233 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 233 A C 2.321 179.811 177.584 -0.158 0.000 1.186 233 A CA 1.752 53.628 52.037 -0.269 0.000 0.624 233 A CB -0.746 17.867 19.000 -0.644 0.000 0.822 233 A HN 0.467 nan 8.150 nan 0.000 0.444 234 M N -0.546 118.996 119.600 -0.098 0.000 2.108 234 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 234 M C 2.483 178.830 176.300 0.077 0.000 1.066 234 M CA 1.548 56.913 55.300 0.108 0.000 1.107 234 M CB -0.417 32.284 32.600 0.168 0.000 1.356 234 M HN 0.471 nan 8.290 nan 0.000 0.406 235 A N 0.208 123.045 122.820 0.029 0.000 1.972 235 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 235 A C 2.037 179.618 177.584 -0.005 0.000 1.169 235 A CA 1.577 53.617 52.037 0.005 0.000 0.635 235 A CB -0.424 18.552 19.000 -0.040 0.000 0.810 235 A HN 0.461 nan 8.150 nan 0.000 0.446 236 K N -0.546 119.850 120.400 -0.007 0.000 2.393 236 K HA 0.025 4.345 4.320 -0.000 0.000 0.193 236 K C -0.294 176.320 176.600 0.023 0.000 1.026 236 K CA 0.066 56.349 56.287 -0.006 0.000 1.064 236 K CB 0.248 32.735 32.500 -0.022 0.000 0.833 236 K HN 0.282 nan 8.250 nan 0.000 0.521 237 D N 1.892 122.327 120.400 0.057 0.000 2.339 237 D HA 0.014 4.654 4.640 -0.000 0.000 0.241 237 D C 0.384 176.725 176.300 0.068 0.000 1.183 237 D CA 0.167 54.222 54.000 0.092 0.000 0.859 237 D CB 0.943 41.856 40.800 0.189 0.000 1.067 237 D HN 0.064 nan 8.370 nan 0.000 0.484 238 E N 2.396 122.626 120.200 0.050 0.000 2.331 238 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 238 E C 1.341 177.956 176.600 0.025 0.000 1.008 238 E CA 0.656 57.079 56.400 0.038 0.000 0.843 238 E CB 0.295 30.016 29.700 0.035 0.000 0.761 238 E HN 0.425 nan 8.360 nan 0.000 0.507 239 R N 0.320 120.838 120.500 0.030 0.000 2.276 239 R HA 0.026 4.366 4.340 -0.000 0.000 0.203 239 R C 0.258 176.558 176.300 -0.001 0.000 1.017 239 R CA 0.184 56.285 56.100 0.002 0.000 1.010 239 R CB 0.384 30.684 30.300 0.001 0.000 0.900 239 R HN -0.076 nan 8.270 nan 0.000 0.469 240 V N 2.500 122.436 119.914 0.036 0.000 2.322 240 V HA 0.047 4.167 4.120 -0.000 0.000 0.258 240 V C 0.298 176.411 176.094 0.031 0.000 1.074 240 V CA -0.149 62.181 62.300 0.049 0.000 0.909 240 V CB 0.909 32.793 31.823 0.101 0.000 1.090 240 V HN 0.268 nan 8.190 nan 0.000 0.486 241 N N 3.327 122.028 118.700 0.002 0.000 2.142 241 N HA -0.023 4.717 4.740 -0.000 0.000 0.186 241 N C 0.211 175.734 175.510 0.023 0.000 1.023 241 N CA 0.754 53.802 53.050 -0.004 0.000 0.852 241 N CB 0.133 38.591 38.487 -0.048 0.000 0.998 241 N HN 0.529 nan 8.380 nan 0.000 0.424 242 L N 0.312 121.558 121.223 0.039 0.000 2.385 242 L HA 0.538 4.878 4.340 -0.000 0.000 0.273 242 L C -1.763 175.145 176.870 0.064 0.000 0.990 242 L CA -1.000 53.861 54.840 0.035 0.000 0.821 242 L CB 1.632 43.701 42.059 0.016 0.000 1.279 242 L HN -0.092 nan 8.230 nan 0.000 0.412 243 L N 4.147 125.408 121.223 0.063 0.000 2.295 243 L HA 0.565 4.905 4.340 -0.000 0.000 0.281 243 L C -0.373 176.568 176.870 0.118 0.000 1.018 243 L CA 0.221 55.126 54.840 0.109 0.000 0.841 243 L CB 1.330 43.456 42.059 0.112 0.000 1.218 243 L HN 0.727 nan 8.230 nan 0.000 0.424 244 S N 5.397 121.181 115.700 0.139 0.000 2.439 244 S HA 0.476 4.946 4.470 -0.000 0.000 0.282 244 S C -0.822 173.907 174.600 0.214 0.000 1.170 244 S CA -0.339 57.949 58.200 0.147 0.000 1.054 244 S CB -0.135 63.150 63.200 0.142 0.000 0.956 244 S HN 0.444 nan 8.310 nan 0.000 0.490 245 F N 4.527 124.526 119.950 0.081 0.000 2.477 245 F HA 0.521 5.048 4.527 -0.000 0.000 0.335 245 F C -0.342 175.512 175.800 0.090 0.000 1.130 245 F CA -0.274 57.778 58.000 0.085 0.000 0.948 245 F CB 1.778 40.813 39.000 0.058 0.000 1.154 245 F HN 0.414 nan 8.300 nan 0.000 0.439 246 T N 5.023 119.208 114.554 -0.615 0.000 2.791 246 T HA 0.779 5.129 4.350 -0.000 0.000 0.288 246 T C -0.043 174.238 174.700 -0.698 0.000 0.999 246 T CA -0.339 61.530 62.100 -0.385 0.000 0.952 246 T CB 1.081 69.878 68.868 -0.119 0.000 0.938 246 T HN 1.043 nan 8.240 nan 0.000 0.444 247 G N 1.826 110.404 108.800 -0.369 0.000 2.356 247 G HA2 0.481 4.441 3.960 -0.000 0.000 0.281 247 G HA3 0.481 4.441 3.960 -0.000 0.000 0.281 247 G C -0.601 174.372 174.900 0.121 0.000 1.246 247 G CA -0.408 44.592 45.100 -0.168 0.000 0.889 247 G HN 0.839 nan 8.290 nan 0.000 0.486 248 S N -0.623 115.182 115.700 0.174 0.000 2.585 248 S HA 0.408 4.878 4.470 -0.000 0.000 0.273 248 S C 1.360 176.071 174.600 0.185 0.000 1.339 248 S CA 1.007 59.285 58.200 0.129 0.000 1.028 248 S CB 1.275 64.532 63.200 0.095 0.000 0.906 248 S HN 0.774 nan 8.310 nan 0.000 0.528 249 T N 1.415 116.047 114.554 0.130 0.000 2.720 249 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 249 T C 1.836 176.569 174.700 0.055 0.000 1.037 249 T CA 1.830 63.993 62.100 0.105 0.000 1.144 249 T CB -0.472 68.478 68.868 0.136 0.000 0.864 249 T HN 0.765 nan 8.240 nan 0.000 0.444 250 Q N 0.209 120.047 119.800 0.064 0.000 2.061 250 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 250 Q C 2.347 178.339 176.000 -0.013 0.000 0.984 250 Q CA 1.532 57.354 55.803 0.031 0.000 0.846 250 Q CB -0.139 28.628 28.738 0.049 0.000 0.902 250 Q HN 0.383 nan 8.270 nan 0.000 0.421 251 V N -0.301 119.617 119.914 0.006 0.000 2.407 251 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 251 V C 2.254 178.146 176.094 -0.337 0.000 1.041 251 V CA 1.644 63.895 62.300 -0.082 0.000 1.040 251 V CB -0.871 30.996 31.823 0.074 0.000 0.671 251 V HN 0.576 nan 8.190 nan 0.000 0.455 252 G N -0.117 108.496 108.800 -0.312 0.000 2.422 252 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 252 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 252 G C 1.604 176.327 174.900 -0.296 0.000 1.146 252 G CA 1.096 45.895 45.100 -0.501 0.000 0.769 252 G HN 0.502 nan 8.290 nan 0.000 0.547 253 K N -0.234 120.061 120.400 -0.175 0.000 2.044 253 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 253 K C 2.557 179.058 176.600 -0.164 0.000 1.049 253 K CA 1.528 57.724 56.287 -0.153 0.000 0.927 253 K CB -0.089 32.337 32.500 -0.124 0.000 0.713 253 K HN 0.178 nan 8.250 nan 0.000 0.443 254 Q N 0.241 119.937 119.800 -0.174 0.000 2.123 254 Q HA -0.084 4.256 4.340 -0.000 0.000 0.199 254 Q C 2.294 178.182 176.000 -0.187 0.000 0.966 254 Q CA 1.107 56.817 55.803 -0.155 0.000 0.845 254 Q CB -0.311 28.349 28.738 -0.129 0.000 0.907 254 Q HN 0.209 nan 8.270 nan 0.000 0.439 255 V N 0.716 120.456 119.914 -0.289 0.000 2.332 255 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 255 V C 2.321 178.300 176.094 -0.190 0.000 1.055 255 V CA 2.033 64.159 62.300 -0.290 0.000 1.038 255 V CB -1.255 30.243 31.823 -0.542 0.000 0.651 255 V HN 0.445 nan 8.190 nan 0.000 0.450 256 G N -0.474 108.214 108.800 -0.187 0.000 2.422 256 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.218 256 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.218 256 G C 1.600 176.430 174.900 -0.116 0.000 1.146 256 G CA 0.842 45.867 45.100 -0.124 0.000 0.769 256 G HN 0.461 nan 8.290 nan 0.000 0.547 257 L N -0.329 120.820 121.223 -0.123 0.000 2.027 257 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 257 L C 3.094 179.894 176.870 -0.115 0.000 1.074 257 L CA 1.064 55.834 54.840 -0.115 0.000 0.745 257 L CB -0.306 41.690 42.059 -0.105 0.000 0.898 257 L HN 0.217 nan 8.230 nan 0.000 0.433 258 M N -1.101 118.434 119.600 -0.108 0.000 2.117 258 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 258 M C 2.258 178.505 176.300 -0.088 0.000 1.065 258 M CA 1.396 56.641 55.300 -0.092 0.000 1.114 258 M CB -0.317 32.234 32.600 -0.082 0.000 1.361 258 M HN 0.074 nan 8.290 nan 0.000 0.408 259 V N -0.067 119.797 119.914 -0.082 0.000 2.358 259 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 259 V C 2.285 178.320 176.094 -0.098 0.000 1.047 259 V CA 1.938 64.200 62.300 -0.063 0.000 1.035 259 V CB -0.779 31.020 31.823 -0.040 0.000 0.658 259 V HN 0.455 nan 8.190 nan 0.000 0.452 260 Q N 0.908 120.628 119.800 -0.133 0.000 2.124 260 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 260 Q C 2.054 177.835 176.000 -0.366 0.000 0.977 260 Q CA 2.258 57.932 55.803 -0.215 0.000 0.850 260 Q CB -0.405 28.224 28.738 -0.182 0.000 0.901 260 Q HN 0.695 nan 8.270 nan 0.000 0.429 261 E N 0.574 120.618 120.200 -0.262 0.000 2.118 261 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 261 E C 1.209 177.650 176.600 -0.265 0.000 0.992 261 E CA 1.730 57.972 56.400 -0.263 0.000 0.804 261 E CB -0.164 29.447 29.700 -0.148 0.000 0.741 261 E HN 0.565 nan 8.360 nan 0.000 0.458 262 R N -0.873 119.526 120.500 -0.168 0.000 2.466 262 R HA 0.168 4.507 4.340 -0.000 0.000 0.279 262 R C -0.291 176.047 176.300 0.064 0.000 0.976 262 R CA 0.034 56.110 56.100 -0.040 0.000 1.081 262 R CB -0.599 29.700 30.300 -0.003 0.000 1.215 262 R HN -0.043 nan 8.270 nan 0.000 0.546 263 F N 0.753 120.695 119.950 -0.013 0.000 3.048 263 F HA -0.234 4.293 4.527 -0.000 0.000 0.269 263 F C 0.953 176.746 175.800 -0.013 0.000 0.960 263 F CA 1.016 59.008 58.000 -0.014 0.000 0.909 263 F CB -1.587 37.405 39.000 -0.013 0.000 0.837 263 F HN 0.428 nan 8.300 nan 0.000 0.768 264 G N 0.114 108.968 108.800 0.090 0.000 2.537 264 G HA2 0.704 4.664 3.960 -0.000 0.000 0.297 264 G HA3 0.704 4.664 3.960 -0.000 0.000 0.297 264 G C -0.258 174.671 174.900 0.049 0.000 1.310 264 G CA -1.105 44.032 45.100 0.061 0.000 1.027 264 G HN 0.246 nan 8.290 nan 0.000 0.505 265 R N -0.425 120.094 120.500 0.032 0.000 2.460 265 R HA 0.543 4.882 4.340 -0.000 0.000 0.303 265 R C -0.316 175.986 176.300 0.004 0.000 0.968 265 R CA -0.434 55.676 56.100 0.016 0.000 0.889 265 R CB 1.824 32.129 30.300 0.009 0.000 1.123 265 R HN 0.624 nan 8.270 nan 0.000 0.455 266 S N 2.451 118.148 115.700 -0.006 0.000 2.566 266 S HA 0.572 5.042 4.470 -0.000 0.000 0.298 266 S C -0.717 173.874 174.600 -0.014 0.000 1.083 266 S CA -0.972 57.229 58.200 0.001 0.000 0.978 266 S CB 1.570 64.770 63.200 -0.000 0.000 1.073 266 S HN 0.552 nan 8.310 nan 0.000 0.491 267 L N 2.843 124.069 121.223 0.004 0.000 2.377 267 L HA 0.562 4.902 4.340 -0.000 0.000 0.270 267 L C -1.810 175.107 176.870 0.078 0.000 0.991 267 L CA -0.847 53.991 54.840 -0.004 0.000 0.851 267 L CB 0.720 42.730 42.059 -0.081 0.000 1.218 267 L HN 0.736 nan 8.230 nan 0.000 0.420 268 L N 4.956 126.227 121.223 0.079 0.000 2.287 268 L HA 0.503 4.843 4.340 -0.000 0.000 0.287 268 L C -0.319 176.627 176.870 0.126 0.000 1.022 268 L CA -0.488 54.438 54.840 0.143 0.000 0.814 268 L CB 1.512 43.626 42.059 0.092 0.000 1.217 268 L HN 0.516 nan 8.230 nan 0.000 0.420 269 E N 5.850 126.154 120.200 0.173 0.000 2.346 269 E HA 0.440 4.790 4.350 -0.000 0.000 0.239 269 E C -0.542 176.149 176.600 0.152 0.000 0.943 269 E CA -0.144 56.341 56.400 0.142 0.000 0.751 269 E CB 1.884 31.689 29.700 0.175 0.000 1.241 269 E HN 0.541 nan 8.360 nan 0.000 0.423 270 L N -0.261 121.044 121.223 0.137 0.000 2.755 270 L HA 0.617 4.957 4.340 -0.000 0.000 0.243 270 L C 1.191 178.135 176.870 0.123 0.000 1.579 270 L CA -1.186 53.746 54.840 0.153 0.000 1.669 270 L CB 0.043 42.195 42.059 0.154 0.000 2.294 270 L HN 0.344 nan 8.230 nan 0.000 0.588 271 G N -1.191 107.684 108.800 0.125 0.000 2.606 271 G HA2 0.480 4.440 3.960 -0.000 0.000 0.252 271 G HA3 0.480 4.440 3.960 -0.000 0.000 0.252 271 G C -0.507 174.478 174.900 0.143 0.000 1.206 271 G CA 0.122 45.302 45.100 0.133 0.000 0.861 271 G HN 0.684 nan 8.290 nan 0.000 0.561 272 G N -0.937 107.972 108.800 0.182 0.000 2.533 272 G HA2 0.445 4.405 3.960 -0.000 0.000 0.304 272 G HA3 0.445 4.405 3.960 -0.000 0.000 0.304 272 G C -0.876 174.134 174.900 0.183 0.000 1.263 272 G CA -0.575 44.626 45.100 0.168 0.000 0.964 272 G HN 0.617 nan 8.290 nan 0.000 0.479 273 N N 0.512 119.305 118.700 0.156 0.000 2.673 273 N HA 0.068 4.808 4.740 -0.000 0.000 0.265 273 N C -0.898 174.723 175.510 0.184 0.000 1.709 273 N CA -0.527 52.627 53.050 0.172 0.000 0.792 273 N CB 0.187 38.751 38.487 0.127 0.000 1.286 273 N HN 0.455 nan 8.380 nan 0.000 0.506 274 N N 0.567 119.384 118.700 0.195 0.000 2.514 274 N HA 0.363 5.103 4.740 -0.000 0.000 0.277 274 N C -0.326 175.339 175.510 0.258 0.000 1.126 274 N CA -0.106 53.066 53.050 0.204 0.000 0.978 274 N CB 1.807 40.405 38.487 0.185 0.000 1.106 274 N HN 0.363 nan 8.380 nan 0.000 0.461 275 A N 2.583 125.588 122.820 0.309 0.000 2.324 275 A HA 0.643 4.963 4.320 -0.000 0.000 0.330 275 A C 0.042 177.851 177.584 0.375 0.000 1.165 275 A CA -0.664 51.616 52.037 0.406 0.000 0.813 275 A CB 0.598 19.939 19.000 0.568 0.000 1.197 275 A HN 0.672 nan 8.150 nan 0.000 0.484 276 I N 2.042 122.835 120.570 0.371 0.000 2.412 276 I HA 0.407 4.577 4.170 -0.000 0.000 0.296 276 I C -0.750 175.587 176.117 0.368 0.000 0.987 276 I CA -0.329 61.183 61.300 0.353 0.000 1.180 276 I CB 1.677 39.854 38.000 0.295 0.000 1.340 276 I HN 0.482 nan 8.210 nan 0.000 0.455 277 I N 5.428 126.165 120.570 0.278 0.000 2.418 277 I HA 0.470 4.640 4.170 -0.000 0.000 0.287 277 I C -0.133 176.112 176.117 0.214 0.000 1.008 277 I CA -0.538 60.858 61.300 0.160 0.000 1.104 277 I CB 1.908 39.801 38.000 -0.179 0.000 1.264 277 I HN 0.566 nan 8.210 nan 0.000 0.438 278 A N 7.007 129.975 122.820 0.246 0.000 2.273 278 A HA 0.674 4.993 4.320 -0.000 0.000 0.320 278 A C -0.630 177.109 177.584 0.258 0.000 1.358 278 A CA -0.297 51.901 52.037 0.268 0.000 0.910 278 A CB -0.036 19.055 19.000 0.151 0.000 1.159 278 A HN 0.531 nan 8.150 nan 0.000 0.526 279 F N 0.443 120.593 119.950 0.334 0.000 2.403 279 F HA 0.176 4.703 4.527 -0.000 0.000 0.320 279 F C 1.803 177.651 175.800 0.080 0.000 1.176 279 F CA 0.364 58.522 58.000 0.263 0.000 1.206 279 F CB 0.837 39.935 39.000 0.164 0.000 1.235 279 F HN 0.806 nan 8.300 nan 0.000 0.565 280 E N 0.613 120.851 120.200 0.063 0.000 2.209 280 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 280 E C 1.228 177.848 176.600 0.034 0.000 0.993 280 E CA 1.536 57.904 56.400 -0.053 0.000 0.819 280 E CB -0.118 29.384 29.700 -0.330 0.000 0.745 280 E HN 0.707 nan 8.360 nan 0.000 0.477 281 D N 0.096 120.542 120.400 0.076 0.000 2.340 281 D HA 0.045 4.685 4.640 -0.000 0.000 0.220 281 D C 0.274 176.635 176.300 0.102 0.000 1.039 281 D CA 0.215 54.255 54.000 0.066 0.000 0.866 281 D CB -0.160 40.662 40.800 0.037 0.000 0.913 281 D HN 0.176 nan 8.370 nan 0.000 0.523 282 A N 0.674 123.588 122.820 0.156 0.000 2.466 282 A HA 0.115 4.435 4.320 -0.000 0.000 0.238 282 A C 0.240 177.904 177.584 0.132 0.000 1.074 282 A CA -0.181 51.969 52.037 0.188 0.000 0.774 282 A CB 0.166 19.313 19.000 0.245 0.000 1.015 282 A HN 0.130 nan 8.150 nan 0.000 0.498 283 D N 2.097 122.586 120.400 0.147 0.000 2.359 283 D HA 0.185 4.825 4.640 -0.000 0.000 0.250 283 D C 1.022 177.373 176.300 0.084 0.000 1.264 283 D CA 0.007 54.071 54.000 0.106 0.000 0.911 283 D CB 0.127 40.994 40.800 0.113 0.000 1.056 283 D HN 0.439 nan 8.370 nan 0.000 0.499 284 L N 2.793 124.045 121.223 0.047 0.000 2.191 284 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 284 L C 2.402 179.270 176.870 -0.002 0.000 1.103 284 L CA 1.085 55.931 54.840 0.009 0.000 0.769 284 L CB -0.518 41.544 42.059 0.005 0.000 0.908 284 L HN 0.407 nan 8.230 nan 0.000 0.438 285 S N -0.125 115.586 115.700 0.018 0.000 2.447 285 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 285 S C 1.814 176.430 174.600 0.025 0.000 1.006 285 S CA 0.769 58.979 58.200 0.017 0.000 0.957 285 S CB -0.253 62.961 63.200 0.023 0.000 0.773 285 S HN 0.320 nan 8.310 nan 0.000 0.507 286 L N 1.309 122.561 121.223 0.049 0.000 2.145 286 L HA 0.293 4.633 4.340 -0.000 0.000 0.201 286 L C 2.468 179.326 176.870 -0.021 0.000 1.075 286 L CA 1.100 55.994 54.840 0.090 0.000 0.773 286 L CB -0.782 41.404 42.059 0.210 0.000 0.936 286 L HN 0.182 nan 8.230 nan 0.000 0.451 287 V N -0.837 118.980 119.914 -0.163 0.000 2.287 287 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 287 V C 2.496 178.416 176.094 -0.290 0.000 1.053 287 V CA 1.853 63.856 62.300 -0.495 0.000 1.027 287 V CB -0.627 30.986 31.823 -0.351 0.000 0.646 287 V HN 0.310 nan 8.190 nan 0.000 0.447 288 V N 0.880 120.713 119.914 -0.136 0.000 2.237 288 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 288 V C 0.331 176.407 176.094 -0.029 0.000 1.046 288 V CA 2.596 64.850 62.300 -0.078 0.000 1.007 288 V CB -1.939 29.854 31.823 -0.051 0.000 0.638 288 V HN 0.533 nan 8.190 nan 0.000 0.445 289 P HA -0.095 nan 4.420 nan 0.000 0.218 289 P C 1.836 179.187 177.300 0.085 0.000 1.149 289 P CA 1.579 64.701 63.100 0.037 0.000 0.817 289 P CB -0.055 31.662 31.700 0.028 0.000 0.785 290 S N 0.517 116.253 115.700 0.061 0.000 2.356 290 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 290 S C 2.264 176.952 174.600 0.145 0.000 1.032 290 S CA 1.507 59.795 58.200 0.147 0.000 1.005 290 S CB -1.058 62.249 63.200 0.177 0.000 0.867 290 S HN 0.207 nan 8.310 nan 0.000 0.449 291 A N 1.354 124.179 122.820 0.008 0.000 1.902 291 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 291 A C 2.133 179.776 177.584 0.100 0.000 1.181 291 A CA 1.409 53.469 52.037 0.038 0.000 0.623 291 A CB -0.755 18.225 19.000 -0.034 0.000 0.818 291 A HN 0.410 nan 8.150 nan 0.000 0.443 292 L N -1.370 119.917 121.223 0.106 0.000 1.989 292 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 292 L C 2.227 179.139 176.870 0.070 0.000 1.071 292 L CA 2.607 57.503 54.840 0.093 0.000 0.749 292 L CB -0.817 41.281 42.059 0.065 0.000 0.890 292 L HN 0.422 nan 8.230 nan 0.000 0.431 293 F N 0.430 120.384 119.950 0.006 0.000 2.095 293 F HA -0.177 4.349 4.527 -0.000 0.000 0.298 293 F C 2.286 178.115 175.800 0.048 0.000 1.104 293 F CA 1.739 59.753 58.000 0.023 0.000 1.232 293 F CB -0.766 38.263 39.000 0.047 0.000 0.987 293 F HN 0.169 nan 8.300 nan 0.000 0.475 294 A N 0.069 122.918 122.820 0.048 0.000 1.972 294 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 294 A C 2.330 179.868 177.584 -0.078 0.000 1.169 294 A CA 1.711 53.725 52.037 -0.038 0.000 0.635 294 A CB -1.426 17.663 19.000 0.147 0.000 0.810 294 A HN 0.514 nan 8.150 nan 0.000 0.446 295 A N -1.119 121.685 122.820 -0.026 0.000 1.935 295 A HA 0.227 4.546 4.320 -0.000 0.000 0.214 295 A C 1.890 179.430 177.584 -0.072 0.000 1.178 295 A CA 1.581 53.615 52.037 -0.005 0.000 0.640 295 A CB -0.242 18.814 19.000 0.092 0.000 0.825 295 A HN 0.444 nan 8.150 nan 0.000 0.447 296 V N -0.428 119.401 119.914 -0.142 0.000 3.621 296 V HA 0.187 4.306 4.120 -0.000 0.000 0.263 296 V C 1.511 177.541 176.094 -0.107 0.000 1.272 296 V CA 0.197 62.413 62.300 -0.140 0.000 1.080 296 V CB -0.473 31.159 31.823 -0.318 0.000 0.816 296 V HN 0.490 nan 8.190 nan 0.000 0.451 297 G N 0.372 109.010 108.800 -0.270 0.000 2.414 297 G HA2 0.298 4.258 3.960 -0.000 0.000 0.236 297 G HA3 0.298 4.258 3.960 -0.000 0.000 0.236 297 G C 0.747 175.503 174.900 -0.240 0.000 1.293 297 G CA 0.963 45.858 45.100 -0.340 0.000 0.869 297 G HN 0.451 nan 8.290 nan 0.000 0.556 298 T N -0.135 114.314 114.554 -0.175 0.000 4.146 298 T HA -0.145 4.205 4.350 -0.000 0.000 0.336 298 T C 1.399 175.966 174.700 -0.221 0.000 0.762 298 T CA 1.542 63.528 62.100 -0.191 0.000 1.914 298 T CB -1.955 66.790 68.868 -0.206 0.000 1.897 298 T HN 2.609 nan 8.240 nan 0.000 0.862 299 A N -1.031 121.649 122.820 -0.233 0.000 2.704 299 A HA 0.167 4.487 4.320 -0.000 0.000 0.299 299 A C 2.192 179.686 177.584 -0.150 0.000 1.507 299 A CA 1.523 53.404 52.037 -0.260 0.000 0.776 299 A CB -1.986 16.689 19.000 -0.542 0.000 1.027 299 A HN 2.686 nan 8.150 nan 0.000 0.475 300 G N -2.158 106.555 108.800 -0.145 0.000 2.153 300 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.252 300 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.252 300 G C 0.186 174.856 174.900 -0.384 0.000 0.994 300 G CA 0.910 45.903 45.100 -0.178 0.000 0.698 300 G HN 1.393 nan 8.290 nan 0.000 0.521 301 Q N -0.475 119.074 119.800 -0.420 0.000 2.211 301 Q HA 0.249 4.588 4.340 -0.000 0.000 0.301 301 Q C 0.880 176.622 176.000 -0.429 0.000 0.884 301 Q CA -0.322 55.056 55.803 -0.708 0.000 1.115 301 Q CB 0.705 29.320 28.738 -0.204 0.000 1.217 301 Q HN 0.499 nan 8.270 nan 0.000 0.451 302 R N -0.024 120.336 120.500 -0.234 0.000 2.486 302 R HA 0.186 4.525 4.340 -0.000 0.000 0.286 302 R C 1.240 177.715 176.300 0.292 0.000 0.999 302 R CA -0.253 55.952 56.100 0.175 0.000 0.993 302 R CB 0.950 31.382 30.300 0.220 0.000 1.084 302 R HN 0.368 nan 8.270 nan 0.000 0.487 303 C N -1.161 118.436 119.300 0.495 0.000 2.419 303 C HA -0.077 4.383 4.460 -0.000 0.000 0.281 303 C C 2.045 177.225 174.990 0.316 0.000 1.336 303 C CA 0.735 60.024 59.018 0.451 0.000 1.770 303 C CB -1.357 26.602 27.740 0.365 0.000 1.929 303 C HN 0.876 nan 8.230 nan 0.000 0.509 304 T N -2.350 112.374 114.554 0.282 0.000 3.188 304 T HA 0.123 4.473 4.350 -0.000 0.000 0.250 304 T C 0.405 175.204 174.700 0.165 0.000 1.077 304 T CA 0.128 62.362 62.100 0.224 0.000 0.967 304 T CB -0.760 68.263 68.868 0.258 0.000 1.006 304 T HN 0.490 nan 8.240 nan 0.000 0.552 305 T N 3.417 118.044 114.554 0.122 0.000 2.934 305 T HA 0.420 4.770 4.350 -0.000 0.000 0.306 305 T C 0.611 175.368 174.700 0.096 0.000 1.042 305 T CA -0.068 62.061 62.100 0.048 0.000 1.145 305 T CB 0.298 69.139 68.868 -0.045 0.000 0.982 305 T HN 0.586 nan 8.240 nan 0.000 0.544 306 A N 3.808 126.682 122.820 0.090 0.000 2.404 306 A HA 0.295 4.615 4.320 -0.000 0.000 0.273 306 A C 1.179 178.833 177.584 0.117 0.000 1.144 306 A CA -0.326 51.791 52.037 0.133 0.000 0.806 306 A CB 0.192 19.277 19.000 0.142 0.000 1.080 306 A HN 0.948 nan 8.150 nan 0.000 0.509 307 R N 1.341 121.939 120.500 0.163 0.000 2.344 307 R HA 0.135 4.475 4.340 -0.000 0.000 0.209 307 R C -0.104 176.338 176.300 0.237 0.000 0.886 307 R CA 0.261 56.466 56.100 0.174 0.000 1.040 307 R CB 0.592 31.032 30.300 0.234 0.000 1.114 307 R HN 0.697 nan 8.270 nan 0.000 0.547 308 R N 1.103 121.759 120.500 0.259 0.000 2.561 308 R HA 0.395 4.735 4.340 -0.000 0.000 0.297 308 R C -1.575 174.834 176.300 0.181 0.000 0.969 308 R CA -0.877 55.393 56.100 0.283 0.000 0.879 308 R CB 2.289 32.834 30.300 0.408 0.000 1.178 308 R HN -0.153 nan 8.270 nan 0.000 0.445 309 L N 3.723 124.960 121.223 0.023 0.000 2.372 309 L HA 0.500 4.840 4.340 -0.000 0.000 0.273 309 L C -1.703 175.199 176.870 0.053 0.000 0.989 309 L CA -0.334 54.549 54.840 0.072 0.000 0.841 309 L CB 0.954 43.019 42.059 0.008 0.000 1.225 309 L HN 0.458 nan 8.230 nan 0.000 0.414 310 F N 5.904 126.061 119.950 0.346 0.000 2.415 310 F HA 0.620 5.146 4.527 -0.000 0.000 0.348 310 F C 0.142 176.205 175.800 0.438 0.000 1.119 310 F CA -0.329 57.940 58.000 0.449 0.000 1.069 310 F CB 1.231 40.410 39.000 0.299 0.000 1.124 310 F HN 0.254 nan 8.300 nan 0.000 0.472 311 I N 2.828 123.771 120.570 0.621 0.000 2.545 311 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 311 I C -0.038 176.135 176.117 0.093 0.000 1.040 311 I CA -0.923 60.597 61.300 0.368 0.000 1.068 311 I CB 1.643 39.759 38.000 0.193 0.000 1.251 311 I HN 0.570 nan 8.210 nan 0.000 0.424 312 H N 6.076 124.929 119.070 -0.361 0.000 2.972 312 H HA -0.016 4.540 4.556 -0.000 0.000 0.343 312 H C 0.913 176.051 175.328 -0.316 0.000 1.054 312 H CA 0.777 56.319 56.048 -0.844 0.000 1.412 312 H CB 1.236 30.625 29.762 -0.623 0.000 1.385 312 H HN 0.855 nan 8.280 nan 0.000 0.600 313 E N 1.909 121.545 120.200 -0.940 0.000 2.130 313 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 313 E C 1.771 178.263 176.600 -0.180 0.000 0.998 313 E CA 1.610 57.746 56.400 -0.440 0.000 0.806 313 E CB -0.126 29.307 29.700 -0.445 0.000 0.738 313 E HN 0.619 nan 8.360 nan 0.000 0.459 314 S N 1.678 117.335 115.700 -0.072 0.000 2.399 314 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 314 S C 2.089 176.743 174.600 0.090 0.000 1.022 314 S CA 1.193 59.457 58.200 0.106 0.000 0.983 314 S CB -0.726 62.623 63.200 0.247 0.000 0.803 314 S HN 0.613 nan 8.310 nan 0.000 0.480 315 I N -2.451 118.180 120.570 0.101 0.000 4.154 315 I HA 0.362 4.532 4.170 -0.000 0.000 0.334 315 I C 2.051 178.206 176.117 0.063 0.000 1.371 315 I CA -0.341 61.003 61.300 0.072 0.000 1.110 315 I CB -0.437 37.604 38.000 0.069 0.000 1.085 315 I HN 0.141 nan 8.210 nan 0.000 0.398 316 H N 2.701 121.758 119.070 -0.023 0.000 2.290 316 H HA -0.180 4.376 4.556 -0.000 0.000 0.298 316 H C 1.102 176.412 175.328 -0.029 0.000 1.087 316 H CA 2.579 58.612 56.048 -0.025 0.000 1.291 316 H CB 0.170 29.911 29.762 -0.035 0.000 1.369 316 H HN 0.340 nan 8.280 nan 0.000 0.492 317 D N 0.221 120.683 120.400 0.103 0.000 2.117 317 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 317 D C 2.276 178.543 176.300 -0.054 0.000 0.982 317 D CA 1.198 55.214 54.000 0.027 0.000 0.828 317 D CB -0.319 40.529 40.800 0.080 0.000 0.967 317 D HN 0.444 nan 8.370 nan 0.000 0.464 318 E N 0.555 120.736 120.200 -0.031 0.000 2.051 318 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 318 E C 2.011 178.568 176.600 -0.071 0.000 0.991 318 E CA 0.755 57.133 56.400 -0.037 0.000 0.799 318 E CB -0.245 29.448 29.700 -0.013 0.000 0.748 318 E HN 0.031 nan 8.360 nan 0.000 0.449 319 V N -0.239 119.619 119.914 -0.094 0.000 2.343 319 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 319 V C 2.397 178.386 176.094 -0.175 0.000 1.051 319 V CA 1.565 63.793 62.300 -0.121 0.000 1.036 319 V CB -0.382 31.373 31.823 -0.112 0.000 0.654 319 V HN 0.191 nan 8.190 nan 0.000 0.451 320 V N 0.670 120.432 119.914 -0.253 0.000 2.343 320 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 320 V C 2.340 178.321 176.094 -0.187 0.000 1.051 320 V CA 2.066 64.201 62.300 -0.274 0.000 1.036 320 V CB -0.872 30.733 31.823 -0.363 0.000 0.654 320 V HN 0.569 nan 8.190 nan 0.000 0.451 321 N N 0.344 118.964 118.700 -0.133 0.000 2.104 321 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 321 N C 1.959 177.417 175.510 -0.086 0.000 1.024 321 N CA 1.365 54.362 53.050 -0.088 0.000 0.853 321 N CB -0.358 38.096 38.487 -0.055 0.000 1.008 321 N HN 0.472 nan 8.380 nan 0.000 0.424 322 R N 0.039 120.487 120.500 -0.086 0.000 2.090 322 R HA -0.005 4.335 4.340 -0.000 0.000 0.228 322 R C 1.943 178.191 176.300 -0.086 0.000 1.110 322 R CA 0.479 56.537 56.100 -0.070 0.000 0.973 322 R CB -0.379 29.887 30.300 -0.057 0.000 0.869 322 R HN 0.131 nan 8.270 nan 0.000 0.440 323 L N 1.604 122.750 121.223 -0.129 0.000 2.056 323 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 323 L C 1.852 178.575 176.870 -0.244 0.000 1.078 323 L CA 1.772 56.518 54.840 -0.156 0.000 0.749 323 L CB -0.216 41.705 42.059 -0.231 0.000 0.901 323 L HN -0.056 nan 8.230 nan 0.000 0.433 324 K N -0.647 119.591 120.400 -0.271 0.000 2.063 324 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 324 K C 2.104 178.594 176.600 -0.184 0.000 1.048 324 K CA 1.646 57.771 56.287 -0.271 0.000 0.928 324 K CB -0.125 32.314 32.500 -0.103 0.000 0.713 324 K HN 0.279 nan 8.250 nan 0.000 0.442 325 K N 0.236 120.579 120.400 -0.095 0.000 2.057 325 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 325 K C 2.242 178.809 176.600 -0.055 0.000 1.050 325 K CA 1.147 57.405 56.287 -0.048 0.000 0.935 325 K CB -0.121 32.361 32.500 -0.030 0.000 0.715 325 K HN 0.128 nan 8.250 nan 0.000 0.439 326 A N 0.818 123.608 122.820 -0.049 0.000 1.877 326 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 326 A C 1.915 179.474 177.584 -0.041 0.000 1.186 326 A CA 1.360 53.385 52.037 -0.020 0.000 0.620 326 A CB -0.794 18.218 19.000 0.021 0.000 0.822 326 A HN 0.238 nan 8.150 nan 0.000 0.443 327 Y N -0.049 120.023 120.300 -0.381 0.000 2.165 327 Y HA -0.134 4.416 4.550 -0.000 0.000 0.286 327 Y C 2.912 178.507 175.900 -0.509 0.000 1.155 327 Y CA 0.588 58.334 58.100 -0.589 0.000 1.164 327 Y CB -0.836 36.954 38.460 -1.118 0.000 0.978 327 Y HN 0.332 nan 8.280 nan 0.000 0.513 328 A N -0.532 122.142 122.820 -0.243 0.000 2.070 328 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 328 A C 1.906 179.500 177.584 0.016 0.000 1.159 328 A CA 1.335 53.397 52.037 0.042 0.000 0.656 328 A CB -0.312 18.771 19.000 0.138 0.000 0.800 328 A HN 0.394 nan 8.150 nan 0.000 0.453 329 Q N -0.597 119.181 119.800 -0.036 0.000 2.319 329 Q HA 0.256 4.595 4.340 -0.000 0.000 0.202 329 Q C 0.110 176.081 176.000 -0.048 0.000 0.896 329 Q CA -0.058 55.728 55.803 -0.028 0.000 0.942 329 Q CB 0.017 28.741 28.738 -0.024 0.000 1.083 329 Q HN 0.679 nan 8.270 nan 0.000 0.510 330 I N 2.570 123.083 120.570 -0.095 0.000 2.752 330 I HA -0.112 4.058 4.170 -0.000 0.000 0.289 330 I C 0.535 176.618 176.117 -0.056 0.000 1.197 330 I CA 0.468 61.700 61.300 -0.114 0.000 1.432 330 I CB 0.319 38.163 38.000 -0.260 0.000 1.359 330 I HN -0.197 nan 8.210 nan 0.000 0.571 331 R N 5.813 126.304 120.500 -0.015 0.000 2.220 331 R HA 0.383 4.723 4.340 -0.000 0.000 0.340 331 R C -0.920 175.412 176.300 0.054 0.000 1.076 331 R CA -0.475 55.630 56.100 0.009 0.000 0.920 331 R CB 0.628 30.933 30.300 0.008 0.000 1.062 331 R HN 0.367 nan 8.270 nan 0.000 0.469 332 V N 2.287 122.233 119.914 0.053 0.000 2.532 332 V HA 0.799 4.919 4.120 -0.000 0.000 0.295 332 V C 0.816 176.919 176.094 0.016 0.000 1.041 332 V CA -0.372 61.998 62.300 0.117 0.000 0.926 332 V CB 1.632 33.529 31.823 0.123 0.000 0.992 332 V HN 1.029 nan 8.190 nan 0.000 0.457 333 G N 2.797 111.610 108.800 0.022 0.000 2.321 333 G HA2 0.184 4.144 3.960 -0.000 0.000 0.296 333 G HA3 0.184 4.144 3.960 -0.000 0.000 0.296 333 G C -1.432 173.401 174.900 -0.113 0.000 1.287 333 G CA -0.976 44.066 45.100 -0.098 0.000 0.846 333 G HN 0.469 nan 8.290 nan 0.000 0.508 334 N N 1.673 120.182 118.700 -0.319 0.000 2.454 334 N HA 0.226 4.966 4.740 -0.000 0.000 0.260 334 N C -1.435 173.640 175.510 -0.727 0.000 1.218 334 N CA -1.056 51.562 53.050 -0.719 0.000 0.904 334 N CB 1.774 39.535 38.487 -1.211 0.000 1.065 334 N HN 0.176 nan 8.380 nan 0.000 0.462 335 P HA -0.028 nan 4.420 nan 0.000 0.233 335 P C 0.652 177.910 177.300 -0.071 0.000 1.167 335 P CA 0.772 63.744 63.100 -0.213 0.000 0.770 335 P CB -0.082 31.577 31.700 -0.068 0.000 0.837 336 W N -0.819 120.514 121.300 0.054 0.000 3.139 336 W HA 0.306 4.966 4.660 -0.000 0.000 0.260 336 W C -0.245 176.277 176.519 0.005 0.000 1.312 336 W CA -0.449 56.908 57.345 0.021 0.000 1.606 336 W CB -1.042 28.438 29.460 0.033 0.000 1.118 336 W HN -0.268 nan 8.180 nan 0.000 0.675 337 D N 2.277 122.597 120.400 -0.132 0.000 2.302 337 D HA 0.156 4.796 4.640 -0.000 0.000 0.248 337 D C -2.143 174.150 176.300 -0.011 0.000 1.094 337 D CA -1.690 52.284 54.000 -0.043 0.000 0.897 337 D CB 0.832 41.547 40.800 -0.141 0.000 1.200 337 D HN -0.244 nan 8.370 nan 0.000 0.429 338 P HA 0.025 nan 4.420 nan 0.000 0.265 338 P C 0.387 177.686 177.300 -0.002 0.000 1.187 338 P CA 0.380 63.486 63.100 0.010 0.000 0.766 338 P CB 0.400 32.107 31.700 0.012 0.000 0.820 339 N N 0.151 118.853 118.700 0.003 0.000 2.980 339 N HA -0.149 4.591 4.740 -0.000 0.000 0.219 339 N C -0.636 174.876 175.510 0.003 0.000 0.883 339 N CA 0.868 53.919 53.050 0.003 0.000 1.018 339 N CB -1.317 37.169 38.487 -0.001 0.000 1.041 339 N HN 0.125 nan 8.380 nan 0.000 0.592 340 V N 1.938 121.848 119.914 -0.006 0.000 2.614 340 V HA 0.153 4.273 4.120 -0.000 0.000 0.291 340 V C 1.585 177.694 176.094 0.026 0.000 1.049 340 V CA 0.250 62.549 62.300 -0.002 0.000 1.038 340 V CB 1.294 33.091 31.823 -0.043 0.000 0.980 340 V HN 0.218 nan 8.190 nan 0.000 0.481 341 L N 4.411 125.667 121.223 0.056 0.000 2.638 341 L HA 0.356 4.696 4.340 -0.000 0.000 0.232 341 L C -0.235 176.719 176.870 0.140 0.000 1.099 341 L CA 0.239 55.130 54.840 0.085 0.000 0.883 341 L CB 0.230 42.334 42.059 0.076 0.000 1.136 341 L HN 0.645 nan 8.230 nan 0.000 0.492 342 Y N 0.345 120.632 120.300 -0.021 0.000 2.323 342 Y HA 0.607 5.157 4.550 -0.000 0.000 0.322 342 Y C 0.037 175.950 175.900 0.022 0.000 1.133 342 Y CA -0.965 57.119 58.100 -0.027 0.000 1.093 342 Y CB 1.317 39.756 38.460 -0.036 0.000 1.203 342 Y HN -0.082 nan 8.280 nan 0.000 0.427 343 G N 4.929 113.481 108.800 -0.414 0.000 2.828 343 G HA2 0.645 4.604 3.960 -0.000 0.000 0.244 343 G HA3 0.645 4.604 3.960 -0.000 0.000 0.244 343 G C -2.972 171.366 174.900 -0.936 0.000 1.365 343 G CA -1.801 43.050 45.100 -0.414 0.000 1.041 343 G HN 0.385 nan 8.290 nan 0.000 0.560 344 P HA 0.330 nan 4.420 nan 0.000 0.278 344 P C -0.006 176.956 177.300 -0.563 0.000 1.258 344 P CA -0.469 61.954 63.100 -1.128 0.000 0.811 344 P CB 1.358 32.482 31.700 -0.961 0.000 1.063 345 L N 0.882 121.863 121.223 -0.404 0.000 2.476 345 L HA 0.047 4.387 4.340 -0.000 0.000 0.264 345 L C 2.226 179.013 176.870 -0.138 0.000 1.224 345 L CA -0.126 54.591 54.840 -0.205 0.000 0.821 345 L CB -0.394 41.578 42.059 -0.144 0.000 1.101 345 L HN 0.572 nan 8.230 nan 0.000 0.488 346 H N -0.256 118.697 119.070 -0.194 0.000 2.470 346 H HA -0.013 4.543 4.556 -0.000 0.000 0.289 346 H C 0.459 175.640 175.328 -0.245 0.000 1.033 346 H CA 1.087 56.984 56.048 -0.251 0.000 1.331 346 H CB 0.299 29.737 29.762 -0.540 0.000 1.414 346 H HN 0.730 nan 8.280 nan 0.000 0.545 347 T N -3.608 110.783 114.554 -0.272 0.000 2.864 347 T HA 0.271 4.621 4.350 -0.000 0.000 0.299 347 T C 0.719 175.330 174.700 -0.148 0.000 1.166 347 T CA -0.905 61.036 62.100 -0.265 0.000 1.007 347 T CB 2.123 70.842 68.868 -0.249 0.000 1.219 347 T HN -0.024 nan 8.240 nan 0.000 0.506 348 K N 0.536 120.857 120.400 -0.132 0.000 2.097 348 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 348 K C 2.592 179.168 176.600 -0.040 0.000 1.049 348 K CA 2.124 58.364 56.287 -0.078 0.000 0.933 348 K CB -0.856 31.596 32.500 -0.081 0.000 0.717 348 K HN 0.564 nan 8.250 nan 0.000 0.442 349 Q N -0.474 119.298 119.800 -0.046 0.000 2.135 349 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 349 Q C 2.098 178.118 176.000 0.033 0.000 0.981 349 Q CA 1.556 57.355 55.803 -0.006 0.000 0.856 349 Q CB -0.705 28.026 28.738 -0.011 0.000 0.902 349 Q HN 0.558 nan 8.270 nan 0.000 0.425 350 A N -0.328 122.504 122.820 0.020 0.000 1.933 350 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 350 A C 2.361 180.014 177.584 0.114 0.000 1.175 350 A CA 1.713 53.798 52.037 0.080 0.000 0.628 350 A CB -0.740 18.293 19.000 0.054 0.000 0.814 350 A HN 0.476 nan 8.150 nan 0.000 0.444 351 V N -0.155 119.797 119.914 0.063 0.000 2.343 351 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 351 V C 2.781 178.988 176.094 0.189 0.000 1.051 351 V CA 2.332 64.693 62.300 0.102 0.000 1.036 351 V CB -0.882 30.964 31.823 0.037 0.000 0.654 351 V HN 0.562 nan 8.190 nan 0.000 0.451 352 S N -0.464 115.307 115.700 0.118 0.000 2.370 352 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 352 S C 1.998 176.672 174.600 0.124 0.000 1.033 352 S CA 1.617 59.881 58.200 0.107 0.000 1.011 352 S CB -0.330 62.907 63.200 0.063 0.000 0.852 352 S HN 0.377 nan 8.310 nan 0.000 0.457 353 M N 0.355 120.040 119.600 0.141 0.000 2.132 353 M HA 0.001 4.480 4.480 -0.000 0.000 0.263 353 M C 1.959 178.367 176.300 0.180 0.000 1.065 353 M CA 1.184 56.572 55.300 0.147 0.000 1.122 353 M CB -1.435 31.263 32.600 0.162 0.000 1.365 353 M HN 0.397 nan 8.290 nan 0.000 0.411 354 F N 1.463 121.463 119.950 0.083 0.000 2.069 354 F HA -0.239 4.287 4.527 -0.000 0.000 0.298 354 F C 2.045 177.888 175.800 0.072 0.000 1.113 354 F CA 1.725 59.774 58.000 0.082 0.000 1.214 354 F CB -0.468 38.575 39.000 0.072 0.000 0.978 354 F HN 0.013 nan 8.300 nan 0.000 0.474 355 L N 0.196 121.456 121.223 0.062 0.000 2.046 355 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 355 L C 2.850 179.662 176.870 -0.097 0.000 1.077 355 L CA 1.375 56.174 54.840 -0.069 0.000 0.747 355 L CB -1.614 40.503 42.059 0.095 0.000 0.896 355 L HN 0.407 nan 8.230 nan 0.000 0.432 356 G N -0.537 108.251 108.800 -0.019 0.000 2.422 356 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 356 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 356 G C 1.750 176.634 174.900 -0.027 0.000 1.146 356 G CA 0.807 45.901 45.100 -0.010 0.000 0.769 356 G HN 0.474 nan 8.290 nan 0.000 0.547 357 A N 0.079 122.877 122.820 -0.037 0.000 1.930 357 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 357 A C 2.583 180.138 177.584 -0.050 0.000 1.175 357 A CA 1.621 53.657 52.037 -0.002 0.000 0.627 357 A CB -0.515 18.521 19.000 0.061 0.000 0.815 357 A HN 0.236 nan 8.150 nan 0.000 0.443 358 V N 0.160 119.948 119.914 -0.211 0.000 2.343 358 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 358 V C 2.429 178.462 176.094 -0.101 0.000 1.051 358 V CA 2.272 64.444 62.300 -0.213 0.000 1.036 358 V CB -0.805 30.774 31.823 -0.406 0.000 0.654 358 V HN 0.615 nan 8.190 nan 0.000 0.451 359 E N -0.267 119.881 120.200 -0.087 0.000 2.058 359 E HA -0.290 4.059 4.350 -0.000 0.000 0.194 359 E C 2.280 178.865 176.600 -0.026 0.000 0.997 359 E CA 1.578 57.951 56.400 -0.045 0.000 0.801 359 E CB -0.084 29.596 29.700 -0.032 0.000 0.746 359 E HN 0.580 nan 8.360 nan 0.000 0.450 360 E N 0.771 120.960 120.200 -0.018 0.000 2.077 360 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 360 E C 1.790 178.387 176.600 -0.005 0.000 0.989 360 E CA 1.355 57.750 56.400 -0.009 0.000 0.800 360 E CB -0.232 29.468 29.700 -0.000 0.000 0.746 360 E HN 0.240 nan 8.360 nan 0.000 0.452 361 A N 0.902 123.734 122.820 0.020 0.000 1.908 361 A HA -0.258 4.061 4.320 -0.000 0.000 0.218 361 A C 2.075 179.667 177.584 0.014 0.000 1.181 361 A CA 2.005 54.069 52.037 0.046 0.000 0.627 361 A CB -0.506 18.586 19.000 0.152 0.000 0.818 361 A HN 0.237 nan 8.150 nan 0.000 0.445 362 K N -0.252 120.147 120.400 -0.001 0.000 2.057 362 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 362 K C 2.037 178.629 176.600 -0.014 0.000 1.049 362 K CA 1.733 58.013 56.287 -0.011 0.000 0.931 362 K CB -0.200 32.289 32.500 -0.018 0.000 0.714 362 K HN 0.440 nan 8.250 nan 0.000 0.440 363 K N 1.004 121.394 120.400 -0.016 0.000 2.147 363 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 363 K C 1.480 178.066 176.600 -0.024 0.000 1.049 363 K CA 1.189 57.465 56.287 -0.019 0.000 0.936 363 K CB 0.066 32.555 32.500 -0.018 0.000 0.722 363 K HN 0.227 nan 8.250 nan 0.000 0.446 364 E N -0.641 119.543 120.200 -0.027 0.000 2.489 364 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 364 E C 0.581 177.161 176.600 -0.034 0.000 1.057 364 E CA 0.248 56.625 56.400 -0.039 0.000 0.866 364 E CB 0.600 30.267 29.700 -0.055 0.000 0.916 364 E HN 0.481 nan 8.360 nan 0.000 0.500 365 G N 0.965 109.752 108.800 -0.023 0.000 2.163 365 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.213 365 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.213 365 G C 0.453 175.347 174.900 -0.011 0.000 0.991 365 G CA -0.378 44.711 45.100 -0.019 0.000 0.653 365 G HN 0.448 nan 8.290 nan 0.000 0.518 366 G N -0.649 108.150 108.800 -0.003 0.000 2.507 366 G HA2 0.577 4.537 3.960 -0.000 0.000 0.271 366 G HA3 0.577 4.537 3.960 -0.000 0.000 0.271 366 G C -0.222 174.677 174.900 -0.001 0.000 1.189 366 G CA 0.552 45.657 45.100 0.007 0.000 0.859 366 G HN 0.553 nan 8.290 nan 0.000 0.542 367 T N 0.514 115.064 114.554 -0.006 0.000 2.792 367 T HA 0.332 4.682 4.350 -0.000 0.000 0.280 367 T C 0.039 174.726 174.700 -0.021 0.000 0.990 367 T CA -0.303 61.789 62.100 -0.013 0.000 0.960 367 T CB 1.632 70.492 68.868 -0.013 0.000 0.939 367 T HN 0.299 nan 8.240 nan 0.000 0.439 368 V N 5.047 124.946 119.914 -0.026 0.000 2.397 368 V HA 0.057 4.177 4.120 -0.000 0.000 0.262 368 V C 1.567 177.641 176.094 -0.034 0.000 1.047 368 V CA 0.089 62.369 62.300 -0.033 0.000 1.003 368 V CB 0.425 32.225 31.823 -0.037 0.000 1.037 368 V HN 0.886 nan 8.190 nan 0.000 0.480 369 V N 2.725 122.620 119.914 -0.033 0.000 3.354 369 V HA 0.328 4.448 4.120 -0.000 0.000 0.258 369 V C 0.182 176.289 176.094 0.023 0.000 1.159 369 V CA 0.485 62.771 62.300 -0.022 0.000 1.125 369 V CB -0.565 31.235 31.823 -0.038 0.000 0.774 369 V HN 0.650 nan 8.190 nan 0.000 0.464 370 Y N -0.027 120.213 120.300 -0.100 0.000 2.442 370 Y HA 0.638 5.188 4.550 -0.000 0.000 0.330 370 Y C 0.383 176.280 175.900 -0.006 0.000 1.100 370 Y CA 0.211 58.267 58.100 -0.072 0.000 1.034 370 Y CB 1.365 39.738 38.460 -0.145 0.000 1.285 370 Y HN 0.567 nan 8.280 nan 0.000 0.440 371 G N 2.750 111.272 108.800 -0.463 0.000 2.496 371 G HA2 0.245 4.205 3.960 -0.000 0.000 0.243 371 G HA3 0.245 4.205 3.960 -0.000 0.000 0.243 371 G C 0.803 175.704 174.900 0.001 0.000 1.176 371 G CA 0.670 45.689 45.100 -0.135 0.000 0.940 371 G HN 2.133 nan 8.290 nan 0.000 0.573 372 G N -1.477 107.432 108.800 0.182 0.000 2.195 372 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.246 372 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.246 372 G C 0.263 175.290 174.900 0.211 0.000 0.984 372 G CA 1.775 46.952 45.100 0.127 0.000 0.633 372 G HN 1.232 nan 8.290 nan 0.000 0.525 373 K N -0.131 120.432 120.400 0.272 0.000 2.281 373 K HA 0.705 5.025 4.320 -0.000 0.000 0.242 373 K C -0.028 176.727 176.600 0.257 0.000 0.971 373 K CA -0.981 55.440 56.287 0.222 0.000 0.834 373 K CB 2.842 35.392 32.500 0.084 0.000 1.181 373 K HN 0.025 nan 8.250 nan 0.000 0.435 374 V N 2.827 122.860 119.914 0.198 0.000 2.583 374 V HA 0.169 4.289 4.120 -0.000 0.000 0.287 374 V C 0.320 176.459 176.094 0.074 0.000 1.051 374 V CA -0.353 62.017 62.300 0.117 0.000 1.010 374 V CB 0.793 32.685 31.823 0.115 0.000 0.988 374 V HN 0.656 nan 8.190 nan 0.000 0.478 375 M N 3.225 122.865 119.600 0.067 0.000 2.250 375 M HA 0.215 4.695 4.480 -0.000 0.000 0.344 375 M C 0.141 176.456 176.300 0.025 0.000 1.150 375 M CA -0.253 55.074 55.300 0.045 0.000 1.147 375 M CB 0.391 33.025 32.600 0.057 0.000 1.498 375 M HN 0.591 nan 8.290 nan 0.000 0.461 376 D N 4.621 125.020 120.400 -0.002 0.000 2.558 376 D HA 0.197 4.837 4.640 -0.000 0.000 0.221 376 D C -0.698 175.580 176.300 -0.037 0.000 1.143 376 D CA -0.035 53.959 54.000 -0.010 0.000 1.010 376 D CB 0.124 40.917 40.800 -0.011 0.000 1.068 376 D HN 0.581 nan 8.370 nan 0.000 0.511 377 R N 0.992 121.471 120.500 -0.036 0.000 2.712 377 R HA 0.533 4.873 4.340 -0.000 0.000 0.272 377 R C -3.074 173.217 176.300 -0.015 0.000 1.032 377 R CA -1.573 54.483 56.100 -0.074 0.000 0.874 377 R CB -0.377 29.795 30.300 -0.213 0.000 1.256 377 R HN -0.088 nan 8.270 nan 0.000 0.468 378 P HA 0.247 nan 4.420 nan 0.000 0.268 378 P C 0.165 177.568 177.300 0.171 0.000 1.208 378 P CA 1.463 64.601 63.100 0.064 0.000 0.777 378 P CB 0.500 32.236 31.700 0.061 0.000 0.875 379 G N 2.085 110.983 108.800 0.164 0.000 2.698 379 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.225 379 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.225 379 G C -0.445 174.545 174.900 0.150 0.000 1.345 379 G CA -0.673 44.537 45.100 0.183 0.000 0.871 379 G HN 0.549 nan 8.290 nan 0.000 0.540 380 N N 0.497 119.190 118.700 -0.012 0.000 2.920 380 N HA 0.275 5.015 4.740 -0.000 0.000 0.310 380 N C -0.609 174.811 175.510 -0.150 0.000 1.384 380 N CA 0.137 53.138 53.050 -0.082 0.000 1.083 380 N CB 0.091 38.492 38.487 -0.142 0.000 1.389 380 N HN 0.435 nan 8.380 nan 0.000 0.521 381 Y N 0.272 120.527 120.300 -0.076 0.000 2.304 381 Y HA 0.284 4.834 4.550 -0.000 0.000 0.328 381 Y C 1.011 176.855 175.900 -0.095 0.000 1.123 381 Y CA -0.790 57.266 58.100 -0.074 0.000 1.218 381 Y CB 1.077 39.523 38.460 -0.023 0.000 1.207 381 Y HN -0.032 nan 8.280 nan 0.000 0.495 382 V N -0.336 119.568 119.914 -0.016 0.000 3.001 382 V HA 0.551 4.671 4.120 -0.000 0.000 0.314 382 V C -0.685 175.381 176.094 -0.046 0.000 1.099 382 V CA -1.400 60.764 62.300 -0.228 0.000 0.989 382 V CB 1.972 33.196 31.823 -0.999 0.000 1.040 382 V HN 0.728 nan 8.190 nan 0.000 0.434 383 E N 4.039 124.220 120.200 -0.032 0.000 2.316 383 E HA 0.308 4.658 4.350 -0.000 0.000 0.275 383 E C -2.450 174.218 176.600 0.113 0.000 1.029 383 E CA -1.695 54.746 56.400 0.067 0.000 0.871 383 E CB 0.899 30.663 29.700 0.108 0.000 1.022 383 E HN 0.661 nan 8.360 nan 0.000 0.418 384 P HA -0.020 nan 4.420 nan 0.000 0.268 384 P C -0.729 176.840 177.300 0.448 0.000 1.204 384 P CA 0.001 63.171 63.100 0.117 0.000 0.768 384 P CB 0.838 32.348 31.700 -0.318 0.000 0.842 385 T N 3.840 118.656 114.554 0.437 0.000 2.876 385 T HA 0.602 4.952 4.350 -0.000 0.000 0.289 385 T C 0.046 174.827 174.700 0.136 0.000 1.014 385 T CA -0.389 61.906 62.100 0.325 0.000 0.986 385 T CB 0.842 69.875 68.868 0.275 0.000 1.021 385 T HN 0.232 nan 8.240 nan 0.000 0.458 386 I N 2.411 122.982 120.570 0.002 0.000 2.436 386 I HA 0.547 4.716 4.170 -0.000 0.000 0.289 386 I C -0.845 175.193 176.117 -0.133 0.000 1.010 386 I CA -1.120 60.078 61.300 -0.170 0.000 1.098 386 I CB 2.005 39.802 38.000 -0.338 0.000 1.266 386 I HN 0.239 nan 8.210 nan 0.000 0.434 387 V N 4.610 124.422 119.914 -0.171 0.000 2.444 387 V HA 0.454 4.574 4.120 -0.000 0.000 0.294 387 V C 0.298 176.326 176.094 -0.110 0.000 1.022 387 V CA -0.466 61.778 62.300 -0.094 0.000 0.850 387 V CB 1.862 33.681 31.823 -0.006 0.000 0.992 387 V HN 0.900 nan 8.190 nan 0.000 0.426 388 T N 0.658 115.166 114.554 -0.076 0.000 2.937 388 T HA 0.734 5.084 4.350 -0.000 0.000 0.283 388 T C 1.082 175.761 174.700 -0.034 0.000 1.012 388 T CA 0.201 62.264 62.100 -0.062 0.000 0.997 388 T CB 1.676 70.550 68.868 0.010 0.000 1.136 388 T HN 1.724 nan 8.240 nan 0.000 0.551 389 G N -0.055 108.734 108.800 -0.019 0.000 2.253 389 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.251 389 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.251 389 G C 0.075 174.987 174.900 0.020 0.000 0.998 389 G CA 0.159 45.258 45.100 -0.000 0.000 0.621 389 G HN 0.880 nan 8.290 nan 0.000 0.524 390 L N 1.431 122.672 121.223 0.031 0.000 2.467 390 L HA 0.507 4.847 4.340 -0.000 0.000 0.270 390 L C 1.623 178.603 176.870 0.184 0.000 1.205 390 L CA 0.025 54.917 54.840 0.086 0.000 0.828 390 L CB 0.419 42.543 42.059 0.109 0.000 1.101 390 L HN 0.253 nan 8.230 nan 0.000 0.479 391 G N -0.683 108.139 108.800 0.038 0.000 2.491 391 G HA2 0.066 4.026 3.960 -0.000 0.000 0.242 391 G HA3 0.066 4.026 3.960 -0.000 0.000 0.242 391 G C 0.778 175.555 174.900 -0.204 0.000 1.266 391 G CA -0.096 44.941 45.100 -0.106 0.000 0.844 391 G HN 0.988 nan 8.290 nan 0.000 0.571 392 H N -0.183 118.595 119.070 -0.487 0.000 2.460 392 H HA -0.134 4.422 4.556 -0.000 0.000 0.297 392 H C 1.204 176.244 175.328 -0.480 0.000 1.103 392 H CA 1.651 57.115 56.048 -0.974 0.000 1.292 392 H CB 0.177 29.291 29.762 -1.079 0.000 1.376 392 H HN 0.466 nan 8.280 nan 0.000 0.531 393 D N 0.640 120.517 120.400 -0.871 0.000 2.388 393 D HA 0.233 4.873 4.640 -0.000 0.000 0.221 393 D C 0.510 176.432 176.300 -0.630 0.000 1.133 393 D CA 0.040 53.604 54.000 -0.727 0.000 0.831 393 D CB -0.492 39.895 40.800 -0.689 0.000 0.962 393 D HN 0.618 nan 8.370 nan 0.000 0.502 394 A N 0.491 123.074 122.820 -0.394 0.000 2.540 394 A HA 0.199 4.518 4.320 -0.000 0.000 0.239 394 A C 1.635 179.056 177.584 -0.272 0.000 1.061 394 A CA -0.033 51.843 52.037 -0.267 0.000 0.758 394 A CB 0.290 19.198 19.000 -0.154 0.000 0.991 394 A HN 0.171 nan 8.150 nan 0.000 0.502 395 S N 1.866 117.435 115.700 -0.218 0.000 2.365 395 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 395 S C 1.810 176.359 174.600 -0.086 0.000 1.039 395 S CA 1.780 59.891 58.200 -0.148 0.000 1.033 395 S CB -0.465 62.675 63.200 -0.099 0.000 0.887 395 S HN 0.784 nan 8.310 nan 0.000 0.447 396 I N 1.779 122.275 120.570 -0.124 0.000 2.394 396 I HA -0.049 4.121 4.170 -0.000 0.000 0.251 396 I C 2.155 178.110 176.117 -0.270 0.000 1.136 396 I CA 0.765 61.984 61.300 -0.134 0.000 1.425 396 I CB -0.677 37.250 38.000 -0.121 0.000 1.079 396 I HN 0.214 nan 8.210 nan 0.000 0.425 397 A N -1.337 121.259 122.820 -0.373 0.000 2.066 397 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 397 A C 2.126 179.758 177.584 0.080 0.000 1.157 397 A CA 1.154 52.974 52.037 -0.362 0.000 0.670 397 A CB -1.008 17.918 19.000 -0.124 0.000 0.804 397 A HN 0.620 nan 8.150 nan 0.000 0.453 398 H N -0.871 118.152 119.070 -0.077 0.000 2.548 398 H HA 0.041 4.597 4.556 -0.000 0.000 0.268 398 H C -0.067 175.277 175.328 0.027 0.000 0.975 398 H CA 0.527 56.569 56.048 -0.011 0.000 1.195 398 H CB 0.337 30.077 29.762 -0.036 0.000 1.397 398 H HN 0.331 nan 8.280 nan 0.000 0.572 399 T N 1.000 115.635 114.554 0.135 0.000 2.882 399 T HA 0.042 4.392 4.350 -0.000 0.000 0.287 399 T C 0.196 175.002 174.700 0.176 0.000 0.992 399 T CA -0.552 61.627 62.100 0.130 0.000 1.076 399 T CB 2.232 71.164 68.868 0.108 0.000 0.961 399 T HN 0.259 nan 8.240 nan 0.000 0.490 400 E N 2.438 122.750 120.200 0.185 0.000 2.129 400 E HA 0.160 4.510 4.350 -0.000 0.000 0.283 400 E C -0.755 176.005 176.600 0.266 0.000 1.080 400 E CA -0.250 56.294 56.400 0.241 0.000 0.867 400 E CB 0.355 30.199 29.700 0.239 0.000 1.056 400 E HN 0.472 nan 8.360 nan 0.000 0.404 401 T N 5.212 119.946 114.554 0.299 0.000 2.758 401 T HA 0.196 4.546 4.350 -0.000 0.000 0.285 401 T C -0.427 174.488 174.700 0.359 0.000 0.981 401 T CA -0.450 61.832 62.100 0.303 0.000 0.965 401 T CB 0.257 69.284 68.868 0.265 0.000 0.927 401 T HN 0.314 nan 8.240 nan 0.000 0.448 402 F N 4.069 124.136 119.950 0.195 0.000 2.626 402 F HA 0.560 5.087 4.527 -0.000 0.000 0.353 402 F C 0.554 176.474 175.800 0.200 0.000 1.230 402 F CA -0.687 57.433 58.000 0.200 0.000 1.298 402 F CB -0.913 38.225 39.000 0.229 0.000 1.670 402 F HN 0.724 nan 8.300 nan 0.000 0.633 403 A N 3.369 126.251 122.820 0.103 0.000 2.601 403 A HA 0.626 4.946 4.320 -0.000 0.000 0.291 403 A C -2.887 174.766 177.584 0.115 0.000 1.075 403 A CA -1.223 50.894 52.037 0.134 0.000 0.671 403 A CB 1.181 20.392 19.000 0.352 0.000 1.277 403 A HN 0.075 nan 8.150 nan 0.000 0.417 404 P HA 0.429 nan 4.420 nan 0.000 0.252 404 P C -1.070 176.350 177.300 0.200 0.000 1.727 404 P CA 0.517 63.690 63.100 0.121 0.000 1.134 404 P CB -0.579 31.195 31.700 0.124 0.000 1.876 405 I N 3.617 124.237 120.570 0.084 0.000 2.447 405 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 405 I C -0.373 175.555 176.117 -0.315 0.000 1.023 405 I CA -1.101 60.137 61.300 -0.104 0.000 1.083 405 I CB 2.458 40.335 38.000 -0.205 0.000 1.245 405 I HN 0.035 nan 8.210 nan 0.000 0.434 406 L N 7.892 128.924 121.223 -0.319 0.000 2.298 406 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 406 L C -1.333 175.270 176.870 -0.445 0.000 1.013 406 L CA -0.236 54.437 54.840 -0.279 0.000 0.824 406 L CB 0.642 42.648 42.059 -0.088 0.000 1.221 406 L HN 0.271 nan 8.230 nan 0.000 0.418 407 Y N 4.483 124.705 120.300 -0.131 0.000 2.350 407 Y HA 0.523 5.073 4.550 -0.000 0.000 0.340 407 Y C 0.144 175.604 175.900 -0.735 0.000 1.006 407 Y CA -0.660 57.213 58.100 -0.378 0.000 1.166 407 Y CB 1.172 39.494 38.460 -0.229 0.000 1.168 407 Y HN 0.277 nan 8.280 nan 0.000 0.502 408 V N 5.335 124.835 119.914 -0.691 0.000 2.435 408 V HA 0.480 4.600 4.120 -0.000 0.000 0.290 408 V C -0.646 174.983 176.094 -0.775 0.000 1.030 408 V CA -1.007 60.938 62.300 -0.593 0.000 0.881 408 V CB 0.819 32.482 31.823 -0.266 0.000 0.983 408 V HN 0.469 nan 8.190 nan 0.000 0.445 409 F N 2.089 122.038 119.950 -0.002 0.000 2.576 409 F HA 0.602 5.129 4.527 -0.000 0.000 0.313 409 F C 0.257 176.234 175.800 0.295 0.000 1.078 409 F CA -1.110 56.937 58.000 0.079 0.000 0.921 409 F CB 1.740 40.698 39.000 -0.070 0.000 1.232 409 F HN 0.263 nan 8.300 nan 0.000 0.459 410 K N 2.068 122.701 120.400 0.389 0.000 2.154 410 K HA 0.646 4.966 4.320 -0.000 0.000 0.264 410 K C -1.019 175.927 176.600 0.577 0.000 1.008 410 K CA -0.437 56.026 56.287 0.295 0.000 0.937 410 K CB 1.050 33.524 32.500 -0.042 0.000 1.002 410 K HN 0.594 nan 8.250 nan 0.000 0.469 411 F N -1.679 118.418 119.950 0.246 0.000 2.685 411 F HA 0.329 4.856 4.527 -0.000 0.000 0.315 411 F C 0.281 176.043 175.800 -0.062 0.000 1.126 411 F CA -0.847 57.271 58.000 0.197 0.000 0.950 411 F CB 1.365 40.448 39.000 0.138 0.000 1.360 411 F HN 0.382 nan 8.300 nan 0.000 0.469 412 Q N 0.517 120.324 119.800 0.011 0.000 2.581 412 Q HA 0.203 4.543 4.340 -0.000 0.000 0.222 412 Q C -0.635 175.506 176.000 0.234 0.000 0.904 412 Q CA 0.330 56.091 55.803 -0.069 0.000 0.923 412 Q CB 0.345 29.084 28.738 0.002 0.000 1.117 412 Q HN 0.794 nan 8.270 nan 0.000 0.618 413 N N -0.685 118.163 118.700 0.248 0.000 2.328 413 N HA 0.104 4.844 4.740 -0.000 0.000 0.299 413 N C 0.069 175.641 175.510 0.102 0.000 1.179 413 N CA -0.577 52.586 53.050 0.188 0.000 0.793 413 N CB 1.234 39.741 38.487 0.034 0.000 1.366 413 N HN -0.018 nan 8.380 nan 0.000 0.493 414 E N -0.213 120.017 120.200 0.051 0.000 2.058 414 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 414 E C 0.948 177.209 176.600 -0.564 0.000 0.997 414 E CA 1.681 57.943 56.400 -0.230 0.000 0.801 414 E CB 0.077 29.564 29.700 -0.356 0.000 0.746 414 E HN 0.632 nan 8.360 nan 0.000 0.450 415 E N 0.313 120.285 120.200 -0.380 0.000 2.051 415 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 415 E C 1.949 178.329 176.600 -0.367 0.000 0.991 415 E CA 1.503 57.711 56.400 -0.321 0.000 0.799 415 E CB -0.455 29.135 29.700 -0.184 0.000 0.748 415 E HN 0.678 nan 8.360 nan 0.000 0.449 416 E N 0.304 120.217 120.200 -0.479 0.000 2.077 416 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 416 E C 2.264 178.057 176.600 -1.346 0.000 0.989 416 E CA 1.527 57.406 56.400 -0.867 0.000 0.800 416 E CB -0.439 28.700 29.700 -0.935 0.000 0.746 416 E HN 0.289 nan 8.360 nan 0.000 0.452 417 V N 0.119 119.393 119.914 -1.067 0.000 2.548 417 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 417 V C 1.828 177.652 176.094 -0.450 0.000 1.055 417 V CA 1.179 62.863 62.300 -1.026 0.000 1.065 417 V CB -0.575 30.413 31.823 -1.391 0.000 0.681 417 V HN 0.234 nan 8.190 nan 0.000 0.462 418 F N 1.071 120.799 119.950 -0.371 0.000 2.134 418 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 418 F C 2.543 178.272 175.800 -0.118 0.000 1.097 418 F CA 1.028 58.978 58.000 -0.084 0.000 1.264 418 F CB -1.667 37.362 39.000 0.050 0.000 1.001 418 F HN 0.242 nan 8.300 nan 0.000 0.479 419 A N -0.215 122.595 122.820 -0.016 0.000 1.917 419 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 419 A C 2.087 179.720 177.584 0.081 0.000 1.182 419 A CA 1.707 53.737 52.037 -0.012 0.000 0.633 419 A CB -1.297 17.660 19.000 -0.072 0.000 0.819 419 A HN 0.451 nan 8.150 nan 0.000 0.448 420 W N -0.100 121.059 121.300 -0.236 0.000 2.388 420 W HA -0.078 4.582 4.660 -0.000 0.000 0.294 420 W C 2.067 178.444 176.519 -0.238 0.000 1.212 420 W CA 0.577 57.733 57.345 -0.315 0.000 1.271 420 W CB -1.502 27.587 29.460 -0.619 0.000 1.126 420 W HN 0.598 nan 8.180 nan 0.000 0.535 421 N N 0.945 119.601 118.700 -0.073 0.000 2.061 421 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 421 N C 1.246 176.799 175.510 0.071 0.000 1.030 421 N CA 2.010 55.092 53.050 0.053 0.000 0.856 421 N CB -0.414 38.162 38.487 0.148 0.000 1.023 421 N HN -0.129 nan 8.380 nan 0.000 0.424 422 N N 0.104 118.832 118.700 0.047 0.000 2.467 422 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 422 N C 0.909 176.431 175.510 0.019 0.000 1.106 422 N CA 0.551 53.609 53.050 0.014 0.000 0.892 422 N CB -0.119 38.369 38.487 0.002 0.000 0.969 422 N HN 0.687 nan 8.380 nan 0.000 0.454 423 E N 0.302 120.535 120.200 0.055 0.000 2.358 423 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 423 E C 0.811 177.391 176.600 -0.034 0.000 1.010 423 E CA 0.154 56.598 56.400 0.074 0.000 0.856 423 E CB -0.094 29.730 29.700 0.207 0.000 0.795 423 E HN 0.095 nan 8.360 nan 0.000 0.504 424 V N -0.448 119.357 119.914 -0.182 0.000 3.319 424 V HA 0.100 4.220 4.120 -0.000 0.000 0.303 424 V C 1.020 177.006 176.094 -0.180 0.000 1.094 424 V CA -0.493 61.616 62.300 -0.319 0.000 1.106 424 V CB 1.316 32.936 31.823 -0.338 0.000 1.099 424 V HN -0.018 nan 8.190 nan 0.000 0.476 425 K N -0.324 119.939 120.400 -0.227 0.000 2.243 425 K HA 0.074 4.394 4.320 -0.000 0.000 0.201 425 K C 0.674 177.135 176.600 -0.230 0.000 1.051 425 K CA 0.502 56.559 56.287 -0.384 0.000 0.970 425 K CB -0.030 32.026 32.500 -0.740 0.000 0.755 425 K HN 0.765 nan 8.250 nan 0.000 0.465 426 Q N -0.498 119.245 119.800 -0.094 0.000 2.417 426 Q HA 0.287 4.627 4.340 -0.000 0.000 0.241 426 Q C 0.479 176.478 176.000 -0.002 0.000 1.008 426 Q CA 0.340 56.148 55.803 0.008 0.000 0.901 426 Q CB 1.109 29.876 28.738 0.048 0.000 1.259 426 Q HN 0.273 nan 8.270 nan 0.000 0.489 427 G N 0.376 109.182 108.800 0.010 0.000 5.102 427 G HA2 0.225 4.184 3.960 -0.000 0.000 0.212 427 G HA3 0.225 4.184 3.960 -0.000 0.000 0.212 427 G C -0.485 174.387 174.900 -0.046 0.000 0.832 427 G CA -0.219 44.867 45.100 -0.023 0.000 0.718 427 G HN 0.424 nan 8.290 nan 0.000 0.506 428 L N 0.123 121.332 121.223 -0.023 0.000 2.121 428 L HA 0.617 4.957 4.340 -0.000 0.000 0.200 428 L C 0.966 177.789 176.870 -0.079 0.000 1.132 428 L CA 1.249 56.048 54.840 -0.068 0.000 0.782 428 L CB 0.016 42.066 42.059 -0.016 0.000 0.940 428 L HN 0.171 nan 8.230 nan 0.000 0.458 429 S N -1.435 114.266 115.700 0.003 0.000 2.634 429 S HA 0.802 5.272 4.470 -0.000 0.000 0.296 429 S C -0.964 173.701 174.600 0.107 0.000 1.104 429 S CA -0.031 58.192 58.200 0.038 0.000 0.920 429 S CB 1.170 64.424 63.200 0.089 0.000 1.111 429 S HN 0.668 nan 8.310 nan 0.000 0.493 430 S N 0.958 116.751 115.700 0.156 0.000 2.552 430 S HA 0.747 5.217 4.470 -0.000 0.000 0.272 430 S C -1.137 173.710 174.600 0.412 0.000 1.150 430 S CA -0.703 57.681 58.200 0.307 0.000 0.849 430 S CB 1.306 64.677 63.200 0.286 0.000 1.113 430 S HN 0.755 nan 8.310 nan 0.000 0.458 431 S N 0.886 116.855 115.700 0.448 0.000 2.533 431 S HA 0.721 5.191 4.470 -0.000 0.000 0.271 431 S C -1.087 173.542 174.600 0.048 0.000 1.143 431 S CA -0.955 57.420 58.200 0.290 0.000 0.891 431 S CB 0.767 64.122 63.200 0.259 0.000 1.105 431 S HN 1.265 nan 8.310 nan 0.000 0.468 432 I N 0.574 120.972 120.570 -0.287 0.000 2.603 432 I HA 0.727 4.897 4.170 -0.000 0.000 0.300 432 I C -1.597 174.414 176.117 -0.176 0.000 1.017 432 I CA -0.966 60.166 61.300 -0.279 0.000 1.098 432 I CB 1.578 39.177 38.000 -0.669 0.000 1.279 432 I HN 0.500 nan 8.210 nan 0.000 0.437 433 F N 3.355 123.353 119.950 0.079 0.000 2.402 433 F HA 0.691 5.218 4.527 -0.000 0.000 0.355 433 F C 0.388 176.292 175.800 0.173 0.000 1.123 433 F CA -0.371 57.691 58.000 0.104 0.000 1.021 433 F CB 1.991 41.057 39.000 0.110 0.000 1.160 433 F HN 0.680 nan 8.300 nan 0.000 0.451 434 T N 1.816 116.463 114.554 0.155 0.000 2.775 434 T HA 0.275 4.624 4.350 -0.000 0.000 0.320 434 T C -0.097 174.614 174.700 0.017 0.000 1.597 434 T CA -0.723 61.431 62.100 0.091 0.000 1.022 434 T CB 1.587 70.407 68.868 -0.080 0.000 1.485 434 T HN 0.654 nan 8.240 nan 0.000 0.494 435 K N 0.466 120.871 120.400 0.009 0.000 2.355 435 K HA 0.186 4.506 4.320 -0.000 0.000 0.198 435 K C 0.025 176.614 176.600 -0.018 0.000 1.039 435 K CA -0.330 55.957 56.287 0.001 0.000 1.075 435 K CB 0.454 32.966 32.500 0.020 0.000 0.870 435 K HN 0.449 nan 8.250 nan 0.000 0.540 436 D N 1.916 122.284 120.400 -0.054 0.000 2.338 436 D HA -0.028 4.611 4.640 -0.000 0.000 0.255 436 D C 0.985 177.273 176.300 -0.019 0.000 1.237 436 D CA -0.107 53.861 54.000 -0.053 0.000 0.883 436 D CB 1.164 41.895 40.800 -0.116 0.000 1.087 436 D HN -0.074 nan 8.370 nan 0.000 0.485 437 L N 5.615 126.858 121.223 0.034 0.000 1.990 437 L HA -0.083 4.256 4.340 -0.000 0.000 0.213 437 L C 2.202 179.189 176.870 0.195 0.000 1.072 437 L CA 2.591 57.505 54.840 0.122 0.000 0.755 437 L CB -0.822 41.309 42.059 0.119 0.000 0.889 437 L HN 0.597 nan 8.230 nan 0.000 0.432 438 G N -1.159 107.710 108.800 0.114 0.000 2.418 438 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.217 438 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.217 438 G C 1.781 176.757 174.900 0.126 0.000 1.158 438 G CA 0.779 45.953 45.100 0.125 0.000 0.771 438 G HN 0.447 nan 8.290 nan 0.000 0.545 439 R N 0.058 120.575 120.500 0.028 0.000 2.091 439 R HA -0.014 4.326 4.340 -0.000 0.000 0.238 439 R C 2.513 178.868 176.300 0.091 0.000 1.136 439 R CA 1.293 57.388 56.100 -0.007 0.000 0.959 439 R CB -0.342 29.811 30.300 -0.245 0.000 0.856 439 R HN 0.432 nan 8.270 nan 0.000 0.437 440 I N -0.081 120.506 120.570 0.028 0.000 2.179 440 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 440 I C 1.803 177.896 176.117 -0.041 0.000 1.088 440 I CA 1.420 62.700 61.300 -0.032 0.000 1.357 440 I CB -0.247 37.667 38.000 -0.143 0.000 1.051 440 I HN 0.147 nan 8.210 nan 0.000 0.409 441 F N 0.706 120.701 119.950 0.076 0.000 2.234 441 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 441 F C 2.631 178.482 175.800 0.085 0.000 1.087 441 F CA 1.103 59.141 58.000 0.063 0.000 1.340 441 F CB -0.349 38.669 39.000 0.031 0.000 1.031 441 F HN -0.116 nan 8.300 nan 0.000 0.500 442 R N -0.563 120.104 120.500 0.279 0.000 2.081 442 R HA -0.235 4.105 4.340 -0.000 0.000 0.235 442 R C 2.261 178.728 176.300 0.277 0.000 1.131 442 R CA 1.594 57.856 56.100 0.269 0.000 0.960 442 R CB -0.909 29.566 30.300 0.291 0.000 0.856 442 R HN 0.499 nan 8.270 nan 0.000 0.436 443 W N 1.569 122.879 121.300 0.016 0.000 2.342 443 W HA -0.164 4.496 4.660 -0.000 0.000 0.297 443 W C 1.026 177.396 176.519 -0.249 0.000 1.213 443 W CA 1.126 58.279 57.345 -0.320 0.000 1.251 443 W CB 0.036 29.315 29.460 -0.303 0.000 1.136 443 W HN 0.109 nan 8.180 nan 0.000 0.526 444 L N 0.392 121.550 121.223 -0.108 0.000 2.554 444 L HA 0.143 4.483 4.340 -0.000 0.000 0.226 444 L C 1.475 178.267 176.870 -0.130 0.000 1.137 444 L CA 0.388 55.106 54.840 -0.203 0.000 0.863 444 L CB -1.085 40.886 42.059 -0.147 0.000 0.985 444 L HN -0.132 nan 8.230 nan 0.000 0.451 445 G N -0.153 108.611 108.800 -0.060 0.000 2.642 445 G HA2 0.308 4.268 3.960 -0.000 0.000 0.291 445 G HA3 0.308 4.268 3.960 -0.000 0.000 0.291 445 G C -1.768 173.100 174.900 -0.053 0.000 1.345 445 G CA -0.601 44.490 45.100 -0.015 0.000 1.043 445 G HN -0.118 nan 8.290 nan 0.000 0.528 446 P HA 0.034 nan 4.420 nan 0.000 0.226 446 P C 0.679 177.966 177.300 -0.021 0.000 1.153 446 P CA 0.890 63.971 63.100 -0.032 0.000 0.777 446 P CB 0.359 32.051 31.700 -0.013 0.000 0.794 447 K N -0.250 120.160 120.400 0.016 0.000 2.440 447 K HA 0.317 4.637 4.320 -0.000 0.000 0.206 447 K C 1.209 177.875 176.600 0.111 0.000 1.025 447 K CA -0.025 56.299 56.287 0.062 0.000 1.135 447 K CB 0.779 33.333 32.500 0.091 0.000 0.856 447 K HN 0.109 nan 8.250 nan 0.000 0.502 448 G N 0.605 109.379 108.800 -0.042 0.000 2.945 448 G HA2 0.076 4.036 3.960 -0.000 0.000 0.156 448 G HA3 0.076 4.036 3.960 -0.000 0.000 0.156 448 G C -0.464 174.142 174.900 -0.490 0.000 1.375 448 G CA -0.306 44.633 45.100 -0.268 0.000 1.039 448 G HN 0.116 nan 8.290 nan 0.000 0.586 449 S N 0.110 115.205 115.700 -1.008 0.000 2.562 449 S HA 0.162 4.632 4.470 -0.000 0.000 0.281 449 S C 0.773 175.047 174.600 -0.542 0.000 1.333 449 S CA 0.320 57.906 58.200 -1.024 0.000 1.052 449 S CB 0.768 62.922 63.200 -1.743 0.000 0.884 449 S HN 0.551 nan 8.310 nan 0.000 0.506 450 D N 2.483 122.680 120.400 -0.339 0.000 2.342 450 D HA 0.136 4.776 4.640 -0.000 0.000 0.221 450 D C 0.283 176.467 176.300 -0.193 0.000 1.101 450 D CA -0.242 53.629 54.000 -0.215 0.000 0.837 450 D CB -0.827 39.897 40.800 -0.128 0.000 0.938 450 D HN 0.280 nan 8.370 nan 0.000 0.508 451 C N -0.335 118.820 119.300 -0.242 0.000 2.362 451 C HA 0.680 5.140 4.460 -0.000 0.000 0.363 451 C C 2.231 177.104 174.990 -0.195 0.000 1.220 451 C CA -0.229 58.680 59.018 -0.182 0.000 2.379 451 C CB 1.122 28.770 27.740 -0.154 0.000 2.351 451 C HN 0.444 nan 8.230 nan 0.000 0.582 452 G N 0.278 108.974 108.800 -0.174 0.000 2.484 452 G HA2 0.101 4.061 3.960 -0.000 0.000 0.218 452 G HA3 0.101 4.061 3.960 -0.000 0.000 0.218 452 G C 0.326 175.106 174.900 -0.200 0.000 1.130 452 G CA 0.676 45.660 45.100 -0.194 0.000 0.784 452 G HN 0.690 nan 8.290 nan 0.000 0.543 453 I N 0.798 121.260 120.570 -0.181 0.000 2.447 453 I HA 0.358 4.528 4.170 -0.000 0.000 0.287 453 I C -1.199 174.854 176.117 -0.107 0.000 1.023 453 I CA -0.732 60.490 61.300 -0.129 0.000 1.083 453 I CB 2.816 40.762 38.000 -0.091 0.000 1.245 453 I HN -0.304 nan 8.210 nan 0.000 0.434 454 V N 5.771 125.613 119.914 -0.120 0.000 2.385 454 V HA 0.400 4.519 4.120 -0.000 0.000 0.277 454 V C -0.504 175.603 176.094 0.023 0.000 1.012 454 V CA -0.642 61.556 62.300 -0.170 0.000 0.832 454 V CB 1.129 32.688 31.823 -0.440 0.000 1.028 454 V HN 0.639 nan 8.190 nan 0.000 0.436 455 N N 2.464 121.292 118.700 0.213 0.000 2.443 455 N HA 0.756 5.496 4.740 -0.000 0.000 0.293 455 N C -0.873 174.724 175.510 0.145 0.000 1.159 455 N CA -0.449 52.687 53.050 0.143 0.000 0.904 455 N CB 2.560 41.103 38.487 0.093 0.000 1.214 455 N HN 0.312 nan 8.380 nan 0.000 0.513 456 V N 2.319 122.205 119.914 -0.047 0.000 2.482 456 V HA 0.319 4.439 4.120 -0.000 0.000 0.295 456 V C -0.130 175.745 176.094 -0.365 0.000 1.026 456 V CA -0.772 61.406 62.300 -0.203 0.000 0.856 456 V CB 1.157 32.901 31.823 -0.133 0.000 1.001 456 V HN 0.704 nan 8.190 nan 0.000 0.424 457 N N 2.418 120.645 118.700 -0.788 0.000 2.741 457 N HA -0.195 4.545 4.740 -0.000 0.000 0.251 457 N C -0.550 174.626 175.510 -0.556 0.000 1.112 457 N CA 1.444 53.939 53.050 -0.924 0.000 0.750 457 N CB -0.651 37.652 38.487 -0.307 0.000 1.119 457 N HN 0.784 nan 8.380 nan 0.000 0.561 458 I N -0.792 119.488 120.570 -0.483 0.000 2.752 458 I HA 0.457 4.627 4.170 -0.000 0.000 0.295 458 I C -2.468 173.717 176.117 0.113 0.000 1.219 458 I CA -1.911 59.378 61.300 -0.019 0.000 1.030 458 I CB 2.859 40.863 38.000 0.006 0.000 1.259 458 I HN -0.265 nan 8.210 nan 0.000 0.423 459 P HA 0.181 nan 4.420 nan 0.000 0.297 459 P C 0.468 177.939 177.300 0.287 0.000 1.303 459 P CA 0.107 63.454 63.100 0.411 0.000 0.753 459 P CB 0.239 32.197 31.700 0.430 0.000 1.281 460 T N -4.163 110.555 114.554 0.274 0.000 3.035 460 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 460 T C 1.424 176.251 174.700 0.212 0.000 1.109 460 T CA 1.245 63.480 62.100 0.225 0.000 1.119 460 T CB -1.296 67.701 68.868 0.215 0.000 0.900 460 T HN 0.440 nan 8.240 nan 0.000 0.503 461 S N 0.622 116.463 115.700 0.235 0.000 2.631 461 S HA 0.360 4.830 4.470 -0.000 0.000 0.217 461 S C 1.193 175.945 174.600 0.253 0.000 0.958 461 S CA -0.416 57.929 58.200 0.243 0.000 0.920 461 S CB -0.217 63.113 63.200 0.218 0.000 0.776 461 S HN 0.652 nan 8.310 nan 0.000 0.517 462 G N 1.136 110.068 108.800 0.220 0.000 2.396 462 G HA2 0.576 4.535 3.960 -0.000 0.000 0.292 462 G HA3 0.576 4.535 3.960 -0.000 0.000 0.292 462 G C -0.287 174.689 174.900 0.127 0.000 1.106 462 G CA 0.072 45.269 45.100 0.161 0.000 1.055 462 G HN 0.713 nan 8.290 nan 0.000 0.424 463 A N 3.011 125.893 122.820 0.102 0.000 2.612 463 A HA 0.906 5.226 4.320 -0.000 0.000 0.293 463 A C -0.594 176.984 177.584 -0.010 0.000 1.075 463 A CA -0.839 51.238 52.037 0.065 0.000 0.680 463 A CB 1.667 20.761 19.000 0.157 0.000 1.279 463 A HN 0.886 nan 8.150 nan 0.000 0.411 464 E N -0.128 120.032 120.200 -0.067 0.000 2.433 464 E HA 0.496 4.846 4.350 -0.000 0.000 0.278 464 E C 0.295 176.769 176.600 -0.209 0.000 0.976 464 E CA -0.395 55.940 56.400 -0.108 0.000 0.793 464 E CB 1.174 30.835 29.700 -0.064 0.000 1.311 464 E HN 0.871 nan 8.360 nan 0.000 0.460 465 I N -1.497 118.925 120.570 -0.247 0.000 2.614 465 I HA 0.087 4.257 4.170 -0.000 0.000 0.258 465 I C 1.645 177.456 176.117 -0.509 0.000 1.189 465 I CA 1.427 62.480 61.300 -0.411 0.000 1.462 465 I CB -0.309 37.463 38.000 -0.380 0.000 1.092 465 I HN 0.606 nan 8.210 nan 0.000 0.442 466 G N 1.158 109.743 108.800 -0.360 0.000 2.471 466 G HA2 0.122 4.081 3.960 -0.000 0.000 0.219 466 G HA3 0.122 4.081 3.960 -0.000 0.000 0.219 466 G C 0.836 175.637 174.900 -0.165 0.000 1.125 466 G CA 0.483 45.412 45.100 -0.285 0.000 0.775 466 G HN 0.593 nan 8.290 nan 0.000 0.548 467 G N -0.824 107.879 108.800 -0.161 0.000 2.434 467 G HA2 0.593 4.553 3.960 -0.000 0.000 0.330 467 G HA3 0.593 4.553 3.960 -0.000 0.000 0.330 467 G C -0.228 174.599 174.900 -0.122 0.000 1.155 467 G CA 0.048 45.086 45.100 -0.103 0.000 0.917 467 G HN 0.442 nan 8.290 nan 0.000 0.493 468 A N 0.195 122.966 122.820 -0.082 0.000 2.440 468 A HA 0.556 4.876 4.320 -0.000 0.000 0.251 468 A C -0.958 176.587 177.584 -0.065 0.000 1.089 468 A CA -0.262 51.730 52.037 -0.076 0.000 0.779 468 A CB 0.204 19.163 19.000 -0.067 0.000 1.022 468 A HN 0.758 nan 8.150 nan 0.000 0.492 469 F N 2.478 122.284 119.950 -0.240 0.000 2.444 469 F HA 0.653 5.180 4.527 -0.000 0.000 0.342 469 F C 0.449 176.158 175.800 -0.151 0.000 1.121 469 F CA 0.802 58.652 58.000 -0.250 0.000 0.997 469 F CB 1.452 40.172 39.000 -0.466 0.000 1.130 469 F HN 1.025 nan 8.300 nan 0.000 0.454 470 G N 2.638 110.939 108.800 -0.832 0.000 2.324 470 G HA2 0.457 4.417 3.960 -0.000 0.000 0.293 470 G HA3 0.457 4.417 3.960 -0.000 0.000 0.293 470 G C -1.492 173.154 174.900 -0.422 0.000 1.297 470 G CA -0.214 44.554 45.100 -0.554 0.000 0.853 470 G HN 1.090 nan 8.290 nan 0.000 0.535 471 G N -1.460 107.195 108.800 -0.241 0.000 3.015 471 G HA2 0.719 4.679 3.960 -0.000 0.000 0.281 471 G HA3 0.719 4.679 3.960 -0.000 0.000 0.281 471 G C -1.249 173.594 174.900 -0.095 0.000 1.386 471 G CA -0.393 44.609 45.100 -0.163 0.000 0.959 471 G HN 0.533 nan 8.290 nan 0.000 0.522 472 E N -0.223 119.934 120.200 -0.071 0.000 2.303 472 E HA 0.460 4.809 4.350 -0.000 0.000 0.254 472 E C 0.105 176.708 176.600 0.004 0.000 0.979 472 E CA -0.549 55.825 56.400 -0.043 0.000 0.843 472 E CB 1.717 31.380 29.700 -0.062 0.000 1.245 472 E HN 0.647 nan 8.360 nan 0.000 0.413 473 K N -0.342 120.075 120.400 0.028 0.000 1.941 473 K HA -0.276 4.044 4.320 -0.000 0.000 0.187 473 K C 1.222 177.928 176.600 0.176 0.000 1.490 473 K CA 1.487 57.838 56.287 0.106 0.000 0.446 473 K CB -1.141 31.404 32.500 0.075 0.000 0.688 473 K HN 0.645 nan 8.250 nan 0.000 0.803 474 H N 0.870 119.941 119.070 0.001 0.000 2.556 474 H HA 0.014 4.569 4.556 -0.000 0.000 0.268 474 H C 1.237 176.579 175.328 0.023 0.000 0.996 474 H CA 0.937 56.993 56.048 0.013 0.000 1.157 474 H CB 0.001 29.777 29.762 0.023 0.000 1.355 474 H HN 0.378 nan 8.280 nan 0.000 0.597 475 T N -0.902 113.725 114.554 0.122 0.000 3.085 475 T HA 0.032 4.382 4.350 -0.000 0.000 0.263 475 T C 1.848 176.578 174.700 0.050 0.000 1.127 475 T CA 0.876 63.020 62.100 0.073 0.000 1.103 475 T CB 0.180 69.064 68.868 0.027 0.000 0.921 475 T HN 0.714 nan 8.240 nan 0.000 0.510 476 G N 0.327 109.147 108.800 0.033 0.000 2.232 476 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.226 476 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.226 476 G C 1.068 175.967 174.900 -0.001 0.000 0.996 476 G CA 0.216 45.325 45.100 0.016 0.000 0.626 476 G HN 1.223 nan 8.290 nan 0.000 0.509 477 G N -0.668 108.124 108.800 -0.014 0.000 2.225 477 G HA2 0.181 4.141 3.960 -0.000 0.000 0.254 477 G HA3 0.181 4.141 3.960 -0.000 0.000 0.254 477 G C 1.576 176.453 174.900 -0.038 0.000 0.988 477 G CA 1.098 46.178 45.100 -0.033 0.000 0.625 477 G HN 2.166 nan 8.290 nan 0.000 0.527 478 G N -0.314 108.475 108.800 -0.019 0.000 2.594 478 G HA2 0.507 4.467 3.960 -0.000 0.000 0.243 478 G HA3 0.507 4.467 3.960 -0.000 0.000 0.243 478 G C -0.011 174.873 174.900 -0.027 0.000 1.229 478 G CA -0.150 44.940 45.100 -0.017 0.000 0.843 478 G HN 0.400 nan 8.290 nan 0.000 0.578 479 R N 0.341 120.831 120.500 -0.017 0.000 2.686 479 R HA 0.424 4.764 4.340 -0.000 0.000 0.283 479 R C -0.629 175.716 176.300 0.074 0.000 0.978 479 R CA -0.630 55.468 56.100 -0.004 0.000 0.897 479 R CB 2.348 32.622 30.300 -0.042 0.000 1.192 479 R HN 0.726 nan 8.270 nan 0.000 0.457 480 E N 0.072 120.330 120.200 0.097 0.000 2.320 480 E HA 0.469 4.819 4.350 -0.000 0.000 0.264 480 E C -0.131 176.424 176.600 -0.076 0.000 0.923 480 E CA -0.665 55.804 56.400 0.115 0.000 0.796 480 E CB 2.170 31.985 29.700 0.192 0.000 1.262 480 E HN 0.614 nan 8.360 nan 0.000 0.428 481 S N -0.503 115.137 115.700 -0.099 0.000 4.158 481 S HA -0.186 4.284 4.470 -0.000 0.000 0.621 481 S C 0.748 175.285 174.600 -0.105 0.000 1.867 481 S CA 0.983 59.028 58.200 -0.258 0.000 4.249 481 S CB -1.653 61.140 63.200 -0.678 0.000 0.202 481 S HN 0.828 nan 8.310 nan 0.000 0.457 482 G N 0.220 108.916 108.800 -0.173 0.000 2.606 482 G HA2 0.601 4.561 3.960 -0.000 0.000 0.262 482 G HA3 0.601 4.561 3.960 -0.000 0.000 0.262 482 G C 0.549 175.488 174.900 0.065 0.000 1.394 482 G CA 0.907 45.966 45.100 -0.069 0.000 1.044 482 G HN 1.893 nan 8.290 nan 0.000 0.553 483 S N -0.672 115.095 115.700 0.111 0.000 3.711 483 S HA -0.318 4.152 4.470 -0.000 0.000 0.625 483 S C 0.965 175.643 174.600 0.129 0.000 2.458 483 S CA 2.221 60.479 58.200 0.096 0.000 4.059 483 S CB -1.367 61.839 63.200 0.009 0.000 0.257 483 S HN 1.302 nan 8.310 nan 0.000 0.974 484 D N 1.383 121.762 120.400 -0.034 0.000 2.491 484 D HA 0.591 5.231 4.640 -0.000 0.000 0.228 484 D C 1.192 177.221 176.300 -0.452 0.000 1.183 484 D CA 0.826 54.635 54.000 -0.318 0.000 0.827 484 D CB -0.461 40.077 40.800 -0.437 0.000 0.989 484 D HN 0.726 nan 8.370 nan 0.000 0.494 485 A N 1.235 123.979 122.820 -0.127 0.000 1.986 485 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 485 A C 1.959 179.587 177.584 0.073 0.000 1.171 485 A CA 1.436 53.459 52.037 -0.023 0.000 0.640 485 A CB -1.448 17.604 19.000 0.087 0.000 0.811 485 A HN 0.679 nan 8.150 nan 0.000 0.451 486 W N 0.311 121.671 121.300 0.099 0.000 2.341 486 W HA -0.198 4.462 4.660 -0.000 0.000 0.283 486 W C 1.197 177.788 176.519 0.119 0.000 1.215 486 W CA 1.270 58.688 57.345 0.123 0.000 1.211 486 W CB -0.778 28.662 29.460 -0.033 0.000 1.131 486 W HN 0.300 nan 8.180 nan 0.000 0.552 487 K N 0.956 120.877 120.400 -0.798 0.000 2.280 487 K HA -0.171 4.149 4.320 -0.000 0.000 0.202 487 K C 2.175 178.713 176.600 -0.103 0.000 1.047 487 K CA 1.771 57.561 56.287 -0.828 0.000 0.942 487 K CB -0.302 31.461 32.500 -1.228 0.000 0.739 487 K HN 0.296 nan 8.250 nan 0.000 0.457 488 Q N -0.676 119.089 119.800 -0.059 0.000 2.364 488 Q HA -0.119 4.221 4.340 -0.000 0.000 0.207 488 Q C 0.641 176.573 176.000 -0.112 0.000 0.970 488 Q CA 1.111 56.852 55.803 -0.104 0.000 0.888 488 Q CB 0.118 28.705 28.738 -0.252 0.000 0.951 488 Q HN 0.455 nan 8.270 nan 0.000 0.469 489 Y N -0.860 119.525 120.300 0.143 0.000 2.468 489 Y HA 0.261 4.811 4.550 -0.000 0.000 0.268 489 Y C 0.489 176.541 175.900 0.252 0.000 1.177 489 Y CA -0.094 58.118 58.100 0.188 0.000 1.265 489 Y CB 0.451 39.030 38.460 0.197 0.000 1.103 489 Y HN -0.000 nan 8.280 nan 0.000 0.522 490 M N 0.119 119.970 119.600 0.419 0.000 2.618 490 M HA 0.437 4.917 4.480 -0.000 0.000 0.281 490 M C -0.935 175.643 176.300 0.463 0.000 1.267 490 M CA -0.986 54.609 55.300 0.491 0.000 0.845 490 M CB 3.131 36.155 32.600 0.706 0.000 1.732 490 M HN -0.028 nan 8.290 nan 0.000 0.461 491 R N 0.844 121.551 120.500 0.345 0.000 2.514 491 R HA 0.661 5.001 4.340 -0.000 0.000 0.301 491 R C -0.828 175.404 176.300 -0.114 0.000 0.962 491 R CA -0.918 55.257 56.100 0.126 0.000 0.882 491 R CB 2.012 32.349 30.300 0.062 0.000 1.143 491 R HN 0.647 nan 8.270 nan 0.000 0.452 492 R N 2.023 122.217 120.500 -0.509 0.000 2.357 492 R HA 0.206 4.546 4.340 -0.000 0.000 0.296 492 R C -0.930 175.081 176.300 -0.482 0.000 1.052 492 R CA -0.194 55.290 56.100 -1.026 0.000 0.988 492 R CB 1.080 30.659 30.300 -1.202 0.000 1.025 492 R HN 0.964 nan 8.270 nan 0.000 0.469 493 S N 1.592 117.039 115.700 -0.423 0.000 2.526 493 S HA 0.417 4.887 4.470 -0.000 0.000 0.293 493 S C -0.805 173.678 174.600 -0.194 0.000 1.092 493 S CA -0.804 57.260 58.200 -0.227 0.000 0.980 493 S CB 2.174 65.296 63.200 -0.129 0.000 1.048 493 S HN 0.494 nan 8.310 nan 0.000 0.483 494 T N 2.064 116.544 114.554 -0.124 0.000 2.772 494 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 494 T C -0.766 173.909 174.700 -0.041 0.000 0.994 494 T CA -0.426 61.628 62.100 -0.076 0.000 0.951 494 T CB -0.042 68.787 68.868 -0.064 0.000 0.933 494 T HN 0.809 nan 8.240 nan 0.000 0.447 495 C N 3.749 123.038 119.300 -0.019 0.000 2.316 495 C HA 0.584 5.044 4.460 -0.000 0.000 0.324 495 C C 0.681 175.688 174.990 0.027 0.000 1.226 495 C CA -0.946 58.073 59.018 0.001 0.000 1.450 495 C CB 0.299 28.041 27.740 0.003 0.000 2.123 495 C HN 0.831 nan 8.230 nan 0.000 0.454 496 T N 4.374 118.949 114.554 0.036 0.000 2.767 496 T HA 0.573 4.923 4.350 -0.000 0.000 0.284 496 T C -0.231 174.514 174.700 0.076 0.000 0.973 496 T CA -0.006 62.136 62.100 0.071 0.000 0.996 496 T CB 0.465 69.380 68.868 0.078 0.000 0.927 496 T HN 0.479 nan 8.240 nan 0.000 0.456 497 I N 3.792 124.416 120.570 0.089 0.000 2.411 497 I HA 0.289 4.459 4.170 -0.000 0.000 0.284 497 I C -0.030 176.054 176.117 -0.054 0.000 1.012 497 I CA -0.923 60.408 61.300 0.052 0.000 1.119 497 I CB 1.353 39.410 38.000 0.095 0.000 1.261 497 I HN 0.439 nan 8.210 nan 0.000 0.448 498 N N 6.019 124.589 118.700 -0.217 0.000 2.402 498 N HA 0.043 4.783 4.740 -0.000 0.000 0.252 498 N C 0.091 175.413 175.510 -0.314 0.000 1.118 498 N CA -0.173 52.499 53.050 -0.630 0.000 0.945 498 N CB 0.398 38.551 38.487 -0.556 0.000 1.147 498 N HN 0.497 nan 8.380 nan 0.000 0.495 499 Y N 1.032 121.187 120.300 -0.241 0.000 2.458 499 Y HA 0.528 5.078 4.550 -0.000 0.000 0.256 499 Y C 0.125 175.961 175.900 -0.105 0.000 1.159 499 Y CA -0.846 57.179 58.100 -0.125 0.000 1.261 499 Y CB -0.281 38.133 38.460 -0.077 0.000 1.119 499 Y HN 0.111 nan 8.280 nan 0.000 0.524 500 S N 0.000 115.560 115.700 -0.233 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.132 58.200 -0.113 0.000 1.107 500 S CB 0.000 63.063 63.200 -0.229 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517