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 1se6_1_B DATA FIRST_RESID 5 DATA SEQUENCE TISQAVPPVR DWPAVDLPGS DFDPVLTELM REGPVTRISL PNGEGWAWLV DATA SEQUENCE TRHDDVRLVT NDPRFGREAV MDRQVTRLAP HFIPARGAVG FLDPPDHTRL DATA SEQUENCE RRSVAAAFTA RGVERVRERS RGMLDELVDA MLRAGPPADL TEAVLSPFPI DATA SEQUENCE AVICELMGVP ATDRHSMHTW TQLILSSSHG AEVSERAKNE MNAYFSDLIG DATA SEQUENCE LRSDSAGEDV TSLLGAAVGR DEITLSEAVG LAVLLQIGGE AVTNNSGQMF DATA SEQUENCE HLLLSRPELA ERLRSEPEIR PRAIDELLRW IPHRNAVGLS RIALEDVEIK DATA SEQUENCE GVRIRAGDAV YVSYLAANRD PEVFPDPDRI DFERSPNPHV SFGFGPHYCP DATA SEQUENCE GGMLARLESE LLVDAVLDRV PGLKLAVAPE DVPFKKGALI RGPEALPVTW DATA SEQUENCE HH 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.702 174.700 0.004 0.000 1.109 5 T CA 0.000 62.101 62.100 0.002 0.000 1.349 5 T CB 0.000 68.869 68.868 0.002 0.000 0.612 6 I N 1.967 122.539 120.570 0.004 0.000 2.783 6 I HA 0.843 5.013 4.170 -0.000 0.000 0.312 6 I C 0.614 176.735 176.117 0.006 0.000 0.988 6 I CA -0.271 61.031 61.300 0.005 0.000 1.182 6 I CB 1.602 39.605 38.000 0.004 0.000 1.368 6 I HN 0.554 nan 8.210 nan 0.000 0.511 7 S N 2.254 117.959 115.700 0.008 0.000 2.558 7 S HA 0.002 4.472 4.470 -0.000 0.000 0.288 7 S C -0.145 174.461 174.600 0.011 0.000 1.318 7 S CA -0.062 58.145 58.200 0.012 0.000 1.056 7 S CB 0.002 63.210 63.200 0.013 0.000 0.853 7 S HN 0.804 nan 8.310 nan 0.000 0.505 8 Q N 3.378 123.187 119.800 0.016 0.000 2.394 8 Q HA 0.557 4.897 4.340 -0.000 0.000 0.259 8 Q C -0.336 175.679 176.000 0.025 0.000 1.021 8 Q CA -0.809 55.004 55.803 0.016 0.000 0.805 8 Q CB 1.044 29.791 28.738 0.015 0.000 1.226 8 Q HN 0.894 nan 8.270 nan 0.000 0.476 9 A N 2.989 125.819 122.820 0.017 0.000 2.540 9 A HA 0.248 4.568 4.320 -0.000 0.000 0.239 9 A C 0.393 177.994 177.584 0.028 0.000 1.061 9 A CA -0.130 51.916 52.037 0.015 0.000 0.758 9 A CB -0.014 18.986 19.000 -0.000 0.000 0.991 9 A HN 0.757 nan 8.150 nan 0.000 0.502 10 V N 0.905 120.838 119.914 0.032 0.000 2.963 10 V HA 0.407 4.527 4.120 -0.000 0.000 0.306 10 V C -2.250 173.834 176.094 -0.017 0.000 1.077 10 V CA -1.639 60.695 62.300 0.057 0.000 1.124 10 V CB -0.393 31.444 31.823 0.022 0.000 0.987 10 V HN 0.759 nan 8.190 nan 0.000 0.487 11 P HA 0.317 nan 4.420 nan 0.000 0.271 11 P C -2.578 174.626 177.300 -0.160 0.000 1.218 11 P CA -1.087 61.981 63.100 -0.054 0.000 0.780 11 P CB -0.150 31.553 31.700 0.004 0.000 0.901 12 P HA 0.026 nan 4.420 nan 0.000 0.274 12 P C -0.676 176.508 177.300 -0.192 0.000 1.231 12 P CA -0.033 62.971 63.100 -0.159 0.000 0.790 12 P CB 0.512 32.151 31.700 -0.102 0.000 0.951 13 V N 4.220 124.003 119.914 -0.218 0.000 2.470 13 V HA 0.109 4.229 4.120 -0.000 0.000 0.276 13 V C 1.135 177.177 176.094 -0.087 0.000 1.040 13 V CA -0.037 62.152 62.300 -0.184 0.000 1.008 13 V CB -0.435 31.286 31.823 -0.170 0.000 0.990 13 V HN 0.437 nan 8.190 nan 0.000 0.477 14 R N 3.123 123.587 120.500 -0.060 0.000 2.255 14 R HA 0.389 4.729 4.340 -0.000 0.000 0.326 14 R C -0.883 175.427 176.300 0.016 0.000 0.986 14 R CA -0.798 55.276 56.100 -0.044 0.000 0.847 14 R CB 1.065 31.312 30.300 -0.088 0.000 1.111 14 R HN 0.577 nan 8.270 nan 0.000 0.452 15 D N 1.494 121.911 120.400 0.028 0.000 2.389 15 D HA 0.033 4.673 4.640 -0.000 0.000 0.247 15 D C -0.327 176.064 176.300 0.152 0.000 1.128 15 D CA 0.328 54.378 54.000 0.084 0.000 0.884 15 D CB 0.759 41.593 40.800 0.057 0.000 1.194 15 D HN 0.398 nan 8.370 nan 0.000 0.441 16 W N 5.156 126.434 121.300 -0.036 0.000 2.319 16 W HA 0.307 4.967 4.660 -0.000 0.000 0.288 16 W C -2.577 173.912 176.519 -0.051 0.000 0.959 16 W CA -2.686 54.628 57.345 -0.051 0.000 1.784 16 W CB 0.015 29.431 29.460 -0.073 0.000 1.848 16 W HN 0.229 nan 8.180 nan 0.000 0.408 17 P HA 0.166 nan 4.420 nan 0.000 0.271 17 P C -0.329 176.984 177.300 0.023 0.000 1.233 17 P CA 0.152 63.298 63.100 0.077 0.000 0.789 17 P CB 0.807 32.548 31.700 0.068 0.000 0.951 18 A N 1.604 124.400 122.820 -0.040 0.000 2.409 18 A HA 0.460 4.780 4.320 -0.000 0.000 0.267 18 A C -0.418 177.150 177.584 -0.027 0.000 1.127 18 A CA 0.005 51.997 52.037 -0.076 0.000 0.795 18 A CB -0.297 18.652 19.000 -0.084 0.000 1.061 18 A HN 0.344 nan 8.150 nan 0.000 0.502 19 V N 3.394 123.294 119.914 -0.024 0.000 2.760 19 V HA 0.261 4.381 4.120 -0.000 0.000 0.309 19 V C -0.968 175.115 176.094 -0.018 0.000 1.077 19 V CA -0.968 61.330 62.300 -0.002 0.000 0.910 19 V CB 2.185 34.026 31.823 0.030 0.000 1.008 19 V HN 0.882 nan 8.190 nan 0.000 0.424 20 D N 4.715 125.107 120.400 -0.013 0.000 2.336 20 D HA 0.399 5.039 4.640 -0.000 0.000 0.249 20 D C -0.202 176.086 176.300 -0.020 0.000 1.213 20 D CA 0.138 54.130 54.000 -0.014 0.000 0.870 20 D CB 1.449 42.248 40.800 -0.002 0.000 1.076 20 D HN 0.311 nan 8.370 nan 0.000 0.483 21 L N 3.774 124.976 121.223 -0.035 0.000 2.375 21 L HA 0.343 4.682 4.340 -0.000 0.000 0.271 21 L C -1.968 174.840 176.870 -0.103 0.000 1.107 21 L CA -1.808 52.997 54.840 -0.058 0.000 0.806 21 L CB 0.486 42.502 42.059 -0.071 0.000 1.146 21 L HN 0.053 nan 8.230 nan 0.000 0.447 22 P HA 0.158 nan 4.420 nan 0.000 0.276 22 P C 0.631 177.676 177.300 -0.425 0.000 1.230 22 P CA 0.236 63.209 63.100 -0.212 0.000 0.776 22 P CB 1.112 32.741 31.700 -0.118 0.000 0.888 23 G N 3.284 111.521 108.800 -0.938 0.000 2.700 23 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.350 23 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.350 23 G C 0.911 175.261 174.900 -0.915 0.000 1.250 23 G CA 0.915 44.968 45.100 -1.745 0.000 0.978 23 G HN 0.496 nan 8.290 nan 0.000 0.551 24 S N 1.547 117.065 115.700 -0.303 0.000 2.575 24 S HA 0.288 4.758 4.470 -0.000 0.000 0.237 24 S C -0.049 174.541 174.600 -0.018 0.000 0.975 24 S CA 0.059 58.255 58.200 -0.006 0.000 0.960 24 S CB 0.266 63.645 63.200 0.299 0.000 0.822 24 S HN 0.553 nan 8.310 nan 0.000 0.472 25 D N 1.589 121.962 120.400 -0.044 0.000 2.472 25 D HA 0.109 4.749 4.640 -0.000 0.000 0.237 25 D C -0.193 176.104 176.300 -0.006 0.000 1.141 25 D CA 0.225 54.231 54.000 0.010 0.000 0.875 25 D CB 0.264 41.063 40.800 -0.001 0.000 1.192 25 D HN 0.175 nan 8.370 nan 0.000 0.450 26 F N 1.411 121.289 119.950 -0.121 0.000 2.459 26 F HA -0.003 4.524 4.527 -0.000 0.000 0.346 26 F C 1.075 176.840 175.800 -0.058 0.000 1.128 26 F CA -0.319 57.605 58.000 -0.126 0.000 1.268 26 F CB 0.681 39.590 39.000 -0.151 0.000 1.161 26 F HN 0.140 nan 8.300 nan 0.000 0.583 27 D N 7.127 127.319 120.400 -0.347 0.000 2.346 27 D HA 0.060 4.699 4.640 -0.000 0.000 0.260 27 D C -1.522 174.806 176.300 0.047 0.000 1.252 27 D CA -2.028 51.903 54.000 -0.114 0.000 0.895 27 D CB 1.154 41.890 40.800 -0.107 0.000 1.097 27 D HN 0.227 nan 8.370 nan 0.000 0.489 28 P HA -0.144 nan 4.420 nan 0.000 0.222 28 P C 1.423 178.701 177.300 -0.037 0.000 1.147 28 P CA 0.452 63.578 63.100 0.043 0.000 0.790 28 P CB 0.481 32.195 31.700 0.024 0.000 0.780 29 V N 0.015 119.865 119.914 -0.107 0.000 2.488 29 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 29 V C 2.599 178.405 176.094 -0.480 0.000 1.046 29 V CA 1.141 63.254 62.300 -0.312 0.000 1.053 29 V CB -1.172 30.379 31.823 -0.453 0.000 0.679 29 V HN 0.044 nan 8.190 nan 0.000 0.458 30 L N 0.151 121.141 121.223 -0.389 0.000 2.093 30 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 30 L C 2.367 179.205 176.870 -0.053 0.000 1.085 30 L CA 2.215 56.859 54.840 -0.326 0.000 0.755 30 L CB -1.064 40.946 42.059 -0.082 0.000 0.904 30 L HN 0.306 nan 8.230 nan 0.000 0.435 31 T N -0.359 114.242 114.554 0.079 0.000 2.708 31 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 31 T C 1.677 176.354 174.700 -0.038 0.000 1.037 31 T CA 1.752 63.891 62.100 0.065 0.000 1.146 31 T CB -0.153 68.758 68.868 0.070 0.000 0.865 31 T HN 0.469 nan 8.240 nan 0.000 0.435 32 E N 0.721 120.869 120.200 -0.087 0.000 2.058 32 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 32 E C 2.241 178.770 176.600 -0.118 0.000 0.997 32 E CA 0.988 57.326 56.400 -0.104 0.000 0.801 32 E CB -0.328 29.293 29.700 -0.132 0.000 0.746 32 E HN 0.412 nan 8.360 nan 0.000 0.450 33 L N 0.166 121.280 121.223 -0.181 0.000 2.046 33 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 33 L C 2.575 179.395 176.870 -0.083 0.000 1.077 33 L CA 1.035 55.776 54.840 -0.165 0.000 0.747 33 L CB -0.306 41.588 42.059 -0.276 0.000 0.896 33 L HN 0.195 nan 8.230 nan 0.000 0.432 34 M N -0.914 118.651 119.600 -0.058 0.000 2.213 34 M HA -0.190 4.289 4.480 -0.000 0.000 0.263 34 M C 2.197 178.484 176.300 -0.021 0.000 1.062 34 M CA 1.670 56.960 55.300 -0.017 0.000 1.105 34 M CB -0.250 32.354 32.600 0.006 0.000 1.385 34 M HN 0.124 nan 8.290 nan 0.000 0.417 35 R N -0.488 119.990 120.500 -0.035 0.000 2.276 35 R HA 0.011 4.351 4.340 -0.000 0.000 0.196 35 R C 1.657 177.940 176.300 -0.029 0.000 0.961 35 R CA 0.419 56.500 56.100 -0.031 0.000 1.024 35 R CB 0.002 30.280 30.300 -0.036 0.000 0.940 35 R HN 0.415 nan 8.270 nan 0.000 0.480 36 E N 0.373 120.553 120.200 -0.034 0.000 2.371 36 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 36 E C 0.301 176.893 176.600 -0.013 0.000 1.012 36 E CA 0.497 56.880 56.400 -0.029 0.000 0.860 36 E CB 0.552 30.227 29.700 -0.041 0.000 0.811 36 E HN 0.360 nan 8.360 nan 0.000 0.502 37 G N 0.493 109.290 108.800 -0.005 0.000 2.333 37 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.330 37 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.330 37 G C -2.424 172.486 174.900 0.017 0.000 1.465 37 G CA -0.532 44.572 45.100 0.006 0.000 0.996 37 G HN -0.218 nan 8.290 nan 0.000 0.655 38 P HA 0.022 nan 4.420 nan 0.000 0.217 38 P C 0.653 177.979 177.300 0.043 0.000 1.150 38 P CA 1.094 64.209 63.100 0.026 0.000 0.832 38 P CB 0.257 31.967 31.700 0.016 0.000 0.787 39 V N 1.087 121.036 119.914 0.059 0.000 2.409 39 V HA 0.346 4.466 4.120 -0.000 0.000 0.291 39 V C 0.513 176.709 176.094 0.169 0.000 1.020 39 V CA -0.338 62.032 62.300 0.117 0.000 0.848 39 V CB 1.376 33.250 31.823 0.085 0.000 0.990 39 V HN 0.229 nan 8.190 nan 0.000 0.430 40 T N 2.675 117.347 114.554 0.197 0.000 2.858 40 T HA 0.751 5.101 4.350 -0.000 0.000 0.285 40 T C -0.534 174.265 174.700 0.164 0.000 1.052 40 T CA -1.073 61.108 62.100 0.135 0.000 1.009 40 T CB 2.217 71.110 68.868 0.041 0.000 1.241 40 T HN 0.481 nan 8.240 nan 0.000 0.542 41 R N 0.322 120.819 120.500 -0.005 0.000 2.628 41 R HA 0.711 5.051 4.340 -0.000 0.000 0.288 41 R C -0.723 175.570 176.300 -0.011 0.000 0.980 41 R CA -0.818 55.222 56.100 -0.101 0.000 0.891 41 R CB 1.910 31.898 30.300 -0.520 0.000 1.188 41 R HN 0.843 nan 8.270 nan 0.000 0.450 42 I N -2.113 118.529 120.570 0.119 0.000 3.042 42 I HA 0.656 4.826 4.170 -0.000 0.000 0.310 42 I C -0.746 175.492 176.117 0.201 0.000 1.117 42 I CA -0.806 60.588 61.300 0.157 0.000 1.003 42 I CB 2.548 40.696 38.000 0.247 0.000 1.228 42 I HN 0.392 nan 8.210 nan 0.000 0.443 43 S N 3.898 119.703 115.700 0.175 0.000 2.733 43 S HA 0.656 5.125 4.470 -0.000 0.000 0.294 43 S C -0.800 173.875 174.600 0.125 0.000 1.149 43 S CA -0.596 57.695 58.200 0.152 0.000 1.034 43 S CB 0.802 64.079 63.200 0.129 0.000 1.015 43 S HN 0.606 nan 8.310 nan 0.000 0.486 44 L N 5.709 126.973 121.223 0.069 0.000 2.431 44 L HA 0.521 4.861 4.340 -0.000 0.000 0.260 44 L C -0.964 175.903 176.870 -0.005 0.000 1.098 44 L CA -2.211 52.623 54.840 -0.009 0.000 0.800 44 L CB 0.757 42.745 42.059 -0.118 0.000 1.210 44 L HN 0.483 nan 8.230 nan 0.000 0.465 45 P HA -0.107 nan 4.420 nan 0.000 0.219 45 P C -0.290 177.000 177.300 -0.016 0.000 1.146 45 P CA 1.366 64.452 63.100 -0.023 0.000 0.808 45 P CB 0.216 31.889 31.700 -0.045 0.000 0.779 46 N N -0.968 117.719 118.700 -0.021 0.000 2.545 46 N HA 0.441 5.181 4.740 -0.000 0.000 0.289 46 N C 0.542 176.055 175.510 0.005 0.000 1.279 46 N CA 0.403 53.448 53.050 -0.009 0.000 0.824 46 N CB 1.765 40.243 38.487 -0.015 0.000 1.395 46 N HN 0.091 nan 8.380 nan 0.000 0.526 47 G N 0.285 109.089 108.800 0.007 0.000 2.741 47 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.222 47 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.222 47 G C -1.268 173.635 174.900 0.006 0.000 1.364 47 G CA -0.479 44.627 45.100 0.010 0.000 0.866 47 G HN 0.511 nan 8.290 nan 0.000 0.555 48 E N 0.203 120.399 120.200 -0.006 0.000 2.256 48 E HA 0.659 5.009 4.350 -0.000 0.000 0.267 48 E C 0.856 177.434 176.600 -0.036 0.000 0.892 48 E CA 0.506 56.898 56.400 -0.014 0.000 0.775 48 E CB 1.217 30.902 29.700 -0.025 0.000 1.207 48 E HN 2.314 nan 8.360 nan 0.000 0.420 49 G N 1.653 110.444 108.800 -0.015 0.000 2.562 49 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.250 49 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.250 49 G C -0.438 174.491 174.900 0.049 0.000 1.269 49 G CA 0.094 45.175 45.100 -0.031 0.000 0.919 49 G HN 0.565 nan 8.290 nan 0.000 0.574 50 W N -0.878 120.398 121.300 -0.041 0.000 2.958 50 W HA 0.876 5.536 4.660 -0.000 0.000 0.339 50 W C 0.027 176.512 176.519 -0.056 0.000 1.174 50 W CA -0.770 56.540 57.345 -0.058 0.000 1.064 50 W CB 1.151 30.529 29.460 -0.137 0.000 1.471 50 W HN 1.888 nan 8.180 nan 0.000 0.599 51 A N -0.250 122.819 122.820 0.416 0.000 2.604 51 A HA 0.628 4.948 4.320 -0.000 0.000 0.295 51 A C -2.166 175.673 177.584 0.425 0.000 1.067 51 A CA -0.954 51.265 52.037 0.302 0.000 0.683 51 A CB 0.537 19.737 19.000 0.334 0.000 1.281 51 A HN 0.627 nan 8.150 nan 0.000 0.407 52 W N 0.096 121.673 121.300 0.462 0.000 2.161 52 W HA 0.572 5.232 4.660 -0.000 0.000 0.344 52 W C -0.056 176.615 176.519 0.253 0.000 1.262 52 W CA 0.091 57.632 57.345 0.327 0.000 1.270 52 W CB 1.002 30.619 29.460 0.262 0.000 1.126 52 W HN 0.581 nan 8.180 nan 0.000 0.598 53 L N 3.386 124.875 121.223 0.443 0.000 2.431 53 L HA 0.713 5.052 4.340 -0.000 0.000 0.266 53 L C -0.946 176.039 176.870 0.192 0.000 0.978 53 L CA -1.094 53.919 54.840 0.289 0.000 0.822 53 L CB 1.609 43.806 42.059 0.230 0.000 1.310 53 L HN 0.268 nan 8.230 nan 0.000 0.409 54 V N 1.203 121.185 119.914 0.114 0.000 2.555 54 V HA 0.767 4.887 4.120 -0.000 0.000 0.302 54 V C 0.420 176.537 176.094 0.039 0.000 1.038 54 V CA 0.396 62.727 62.300 0.052 0.000 0.887 54 V CB 1.099 32.917 31.823 -0.009 0.000 0.991 54 V HN 0.923 nan 8.190 nan 0.000 0.434 55 T N 0.056 114.635 114.554 0.042 0.000 2.954 55 T HA 0.302 4.652 4.350 -0.000 0.000 0.252 55 T C 0.802 175.543 174.700 0.069 0.000 0.983 55 T CA -0.333 61.800 62.100 0.055 0.000 0.941 55 T CB 0.183 69.085 68.868 0.056 0.000 1.141 55 T HN 0.535 nan 8.240 nan 0.000 0.500 56 R N 1.892 122.425 120.500 0.056 0.000 2.543 56 R HA 0.253 4.593 4.340 -0.000 0.000 0.277 56 R C 1.321 177.678 176.300 0.095 0.000 1.074 56 R CA -0.436 55.712 56.100 0.080 0.000 1.076 56 R CB -0.068 30.264 30.300 0.053 0.000 0.993 56 R HN 0.358 nan 8.270 nan 0.000 0.459 57 H N 2.523 121.618 119.070 0.041 0.000 2.353 57 H HA -0.196 4.360 4.556 -0.000 0.000 0.298 57 H C 0.755 176.055 175.328 -0.048 0.000 1.103 57 H CA 2.598 58.662 56.048 0.027 0.000 1.293 57 H CB 0.408 30.199 29.762 0.048 0.000 1.372 57 H HN 0.617 nan 8.280 nan 0.000 0.501 58 D N 0.034 120.481 120.400 0.079 0.000 2.117 58 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 58 D C 1.567 177.837 176.300 -0.051 0.000 0.982 58 D CA 1.216 55.217 54.000 0.000 0.000 0.828 58 D CB -0.687 40.129 40.800 0.027 0.000 0.967 58 D HN 0.331 nan 8.370 nan 0.000 0.464 59 D N 0.277 120.658 120.400 -0.032 0.000 2.183 59 D HA -0.061 4.579 4.640 -0.000 0.000 0.203 59 D C 2.288 178.538 176.300 -0.084 0.000 0.969 59 D CA 0.414 54.387 54.000 -0.045 0.000 0.842 59 D CB -0.012 40.771 40.800 -0.028 0.000 0.957 59 D HN 0.163 nan 8.370 nan 0.000 0.484 60 V N 1.166 121.020 119.914 -0.099 0.000 2.358 60 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 60 V C 2.463 178.487 176.094 -0.117 0.000 1.047 60 V CA 1.472 63.702 62.300 -0.118 0.000 1.035 60 V CB -0.292 31.470 31.823 -0.101 0.000 0.658 60 V HN 0.116 nan 8.190 nan 0.000 0.452 61 R N -0.556 119.795 120.500 -0.248 0.000 2.092 61 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 61 R C 2.217 178.553 176.300 0.060 0.000 1.119 61 R CA 1.425 57.345 56.100 -0.300 0.000 0.970 61 R CB -0.507 29.398 30.300 -0.657 0.000 0.864 61 R HN 0.415 nan 8.270 nan 0.000 0.440 62 L N 0.693 121.918 121.223 0.003 0.000 1.994 62 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 62 L C 2.016 178.910 176.870 0.039 0.000 1.071 62 L CA 1.675 56.548 54.840 0.056 0.000 0.745 62 L CB -0.539 41.538 42.059 0.030 0.000 0.892 62 L HN -0.121 nan 8.230 nan 0.000 0.431 63 V N 0.224 120.070 119.914 -0.113 0.000 2.343 63 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 63 V C 2.684 178.669 176.094 -0.182 0.000 1.051 63 V CA 2.222 64.288 62.300 -0.389 0.000 1.036 63 V CB -1.392 30.100 31.823 -0.551 0.000 0.654 63 V HN 0.783 nan 8.190 nan 0.000 0.451 64 T N -2.938 111.620 114.554 0.007 0.000 3.055 64 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 64 T C 1.460 176.274 174.700 0.189 0.000 1.111 64 T CA 1.550 63.731 62.100 0.136 0.000 1.118 64 T CB -0.424 68.625 68.868 0.301 0.000 0.909 64 T HN 0.570 nan 8.240 nan 0.000 0.501 65 N N 0.439 119.268 118.700 0.214 0.000 2.184 65 N HA 0.010 4.750 4.740 -0.000 0.000 0.206 65 N C -0.466 175.129 175.510 0.141 0.000 1.151 65 N CA -0.160 52.984 53.050 0.157 0.000 0.878 65 N CB 0.409 39.025 38.487 0.214 0.000 1.014 65 N HN 0.319 nan 8.380 nan 0.000 0.512 66 D N 1.149 121.661 120.400 0.186 0.000 2.277 66 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 66 D C -1.761 174.656 176.300 0.195 0.000 1.134 66 D CA -1.900 52.223 54.000 0.205 0.000 0.863 66 D CB 1.962 42.944 40.800 0.304 0.000 1.143 66 D HN 0.047 nan 8.370 nan 0.000 0.458 67 P HA -0.135 nan 4.420 nan 0.000 0.217 67 P C 0.159 177.487 177.300 0.046 0.000 1.148 67 P CA 1.126 64.265 63.100 0.065 0.000 0.834 67 P CB 0.229 31.948 31.700 0.032 0.000 0.783 68 R N -1.020 119.486 120.500 0.009 0.000 2.679 68 R HA 0.356 4.696 4.340 -0.000 0.000 0.269 68 R C -0.181 176.082 176.300 -0.062 0.000 1.076 68 R CA -0.409 55.579 56.100 -0.187 0.000 1.160 68 R CB -0.241 29.797 30.300 -0.436 0.000 1.054 68 R HN 0.010 nan 8.270 nan 0.000 0.507 69 F N -1.722 118.222 119.950 -0.010 0.000 2.152 69 F HA -0.163 4.364 4.527 -0.000 0.000 0.503 69 F C 0.432 176.218 175.800 -0.024 0.000 1.268 69 F CA 0.277 58.264 58.000 -0.020 0.000 1.619 69 F CB -1.137 37.852 39.000 -0.018 0.000 2.580 69 F HN 0.778 nan 8.300 nan 0.000 0.727 70 G N 2.281 111.150 108.800 0.115 0.000 2.568 70 G HA2 0.710 4.670 3.960 -0.000 0.000 0.313 70 G HA3 0.710 4.670 3.960 -0.000 0.000 0.313 70 G C 0.172 175.075 174.900 0.005 0.000 1.227 70 G CA -0.818 44.315 45.100 0.056 0.000 0.979 70 G HN 0.469 nan 8.290 nan 0.000 0.486 71 R N -0.618 119.867 120.500 -0.024 0.000 2.146 71 R HA 0.070 4.410 4.340 -0.000 0.000 0.206 71 R C 2.136 178.438 176.300 0.003 0.000 1.049 71 R CA 0.408 56.446 56.100 -0.103 0.000 1.029 71 R CB -0.362 29.793 30.300 -0.241 0.000 0.949 71 R HN 0.633 nan 8.270 nan 0.000 0.471 72 E N 1.532 121.769 120.200 0.061 0.000 2.085 72 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 72 E C 1.573 178.220 176.600 0.080 0.000 0.994 72 E CA 1.786 58.249 56.400 0.104 0.000 0.801 72 E CB -0.229 29.520 29.700 0.082 0.000 0.743 72 E HN 0.235 nan 8.360 nan 0.000 0.453 73 A N -0.021 122.824 122.820 0.042 0.000 2.125 73 A HA -0.098 4.221 4.320 -0.000 0.000 0.219 73 A C 2.376 179.974 177.584 0.023 0.000 1.156 73 A CA 1.339 53.391 52.037 0.024 0.000 0.671 73 A CB -0.496 18.509 19.000 0.008 0.000 0.794 73 A HN 0.197 nan 8.150 nan 0.000 0.459 74 V N -0.099 119.835 119.914 0.033 0.000 2.594 74 V HA -0.292 3.828 4.120 -0.000 0.000 0.253 74 V C 2.586 178.727 176.094 0.079 0.000 1.069 74 V CA 1.745 64.062 62.300 0.029 0.000 1.082 74 V CB -0.739 31.084 31.823 0.001 0.000 0.680 74 V HN 0.533 nan 8.190 nan 0.000 0.469 75 M N 1.254 120.925 119.600 0.118 0.000 2.080 75 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 75 M C 0.695 177.007 176.300 0.020 0.000 1.068 75 M CA 1.446 56.789 55.300 0.071 0.000 1.109 75 M CB -1.106 31.518 32.600 0.040 0.000 1.342 75 M HN 0.660 nan 8.290 nan 0.000 0.405 76 D N -0.411 119.996 120.400 0.012 0.000 2.479 76 D HA 0.434 5.073 4.640 -0.000 0.000 0.218 76 D C 0.606 176.898 176.300 -0.013 0.000 1.131 76 D CA -0.358 53.639 54.000 -0.005 0.000 0.916 76 D CB 1.011 41.808 40.800 -0.006 0.000 1.022 76 D HN 0.323 nan 8.370 nan 0.000 0.515 77 R N 1.375 121.864 120.500 -0.018 0.000 1.778 77 R HA -0.073 4.266 4.340 -0.000 0.000 0.029 77 R C -0.803 175.478 176.300 -0.032 0.000 0.821 77 R CA 0.064 56.145 56.100 -0.032 0.000 3.483 77 R CB -0.391 29.881 30.300 -0.046 0.000 0.790 77 R HN 0.039 nan 8.270 nan 0.000 0.574 78 Q N 0.494 120.282 119.800 -0.021 0.000 2.333 78 Q HA -0.057 4.283 4.340 -0.000 0.000 0.280 78 Q C -1.149 174.839 176.000 -0.020 0.000 1.182 78 Q CA 0.884 56.678 55.803 -0.014 0.000 0.754 78 Q CB -1.979 26.748 28.738 -0.017 0.000 1.129 78 Q HN 0.298 nan 8.270 nan 0.000 0.430 79 V N 1.014 120.915 119.914 -0.021 0.000 2.814 79 V HA -0.012 4.108 4.120 -0.000 0.000 0.307 79 V C 1.525 177.637 176.094 0.030 0.000 1.089 79 V CA 1.345 63.629 62.300 -0.027 0.000 1.212 79 V CB 0.982 32.776 31.823 -0.048 0.000 0.912 79 V HN 0.480 nan 8.190 nan 0.000 0.497 80 T N 5.449 120.030 114.554 0.045 0.000 2.934 80 T HA 0.376 4.726 4.350 -0.000 0.000 0.306 80 T C -0.067 174.725 174.700 0.153 0.000 1.042 80 T CA -0.135 62.014 62.100 0.081 0.000 1.145 80 T CB -0.113 68.811 68.868 0.094 0.000 0.982 80 T HN 0.919 nan 8.240 nan 0.000 0.544 81 R N 3.158 123.702 120.500 0.074 0.000 2.747 81 R HA 0.500 4.840 4.340 -0.000 0.000 0.272 81 R C -0.165 176.096 176.300 -0.065 0.000 1.032 81 R CA -0.953 55.174 56.100 0.045 0.000 0.896 81 R CB -0.310 30.062 30.300 0.119 0.000 1.253 81 R HN 0.449 nan 8.270 nan 0.000 0.461 82 L N -0.015 121.127 121.223 -0.134 0.000 2.049 82 L HA 0.486 4.826 4.340 -0.000 0.000 0.203 82 L C 0.439 177.249 176.870 -0.099 0.000 1.074 82 L CA 2.010 56.745 54.840 -0.174 0.000 0.749 82 L CB -0.501 41.398 42.059 -0.266 0.000 0.907 82 L HN 0.878 nan 8.230 nan 0.000 0.439 83 A N 1.816 124.599 122.820 -0.062 0.000 2.362 83 A HA 0.510 4.830 4.320 -0.000 0.000 0.276 83 A C -2.365 175.211 177.584 -0.013 0.000 1.153 83 A CA -1.272 50.745 52.037 -0.033 0.000 0.813 83 A CB -0.697 18.295 19.000 -0.013 0.000 1.081 83 A HN 0.267 nan 8.150 nan 0.000 0.507 84 P HA 0.462 nan 4.420 nan 0.000 0.274 84 P C 0.209 177.507 177.300 -0.003 0.000 1.237 84 P CA 1.717 64.812 63.100 -0.009 0.000 0.793 84 P CB 0.258 31.950 31.700 -0.013 0.000 0.977 85 H N -3.107 115.962 119.070 -0.002 0.000 4.560 85 H HA 0.030 4.586 4.556 -0.000 0.000 0.259 85 H C -0.183 175.144 175.328 -0.001 0.000 0.556 85 H CA -0.744 55.301 56.048 -0.005 0.000 0.698 85 H CB -2.133 27.624 29.762 -0.009 0.000 1.001 85 H HN 0.622 nan 8.280 nan 0.000 0.304 86 F N 2.939 122.880 119.950 -0.015 0.000 2.571 86 F HA 0.501 5.028 4.527 -0.000 0.000 0.384 86 F C 1.759 177.539 175.800 -0.033 0.000 1.058 86 F CA 0.245 58.228 58.000 -0.028 0.000 1.200 86 F CB -0.846 38.118 39.000 -0.060 0.000 1.077 86 F HN 0.913 nan 8.300 nan 0.000 0.558 87 I N 4.714 125.285 120.570 0.002 0.000 2.062 87 I HA -0.002 4.168 4.170 -0.000 0.000 0.216 87 I C 0.369 176.444 176.117 -0.071 0.000 1.036 87 I CA 2.238 63.557 61.300 0.032 0.000 1.339 87 I CB -1.319 36.812 38.000 0.218 0.000 1.093 87 I HN 0.648 nan 8.210 nan 0.000 0.389 88 P HA 0.795 nan 4.420 nan 0.000 0.308 88 P C -0.917 176.087 177.300 -0.494 0.000 1.329 88 P CA 0.595 63.509 63.100 -0.310 0.000 0.825 88 P CB 1.168 32.737 31.700 -0.217 0.000 2.072 89 A N -2.530 119.938 122.820 -0.587 0.000 2.775 89 A HA 0.594 4.914 4.320 -0.000 0.000 0.305 89 A C -1.210 176.194 177.584 -0.300 0.000 1.082 89 A CA -0.396 51.369 52.037 -0.454 0.000 0.591 89 A CB -0.442 18.415 19.000 -0.238 0.000 1.472 89 A HN 0.394 nan 8.150 nan 0.000 0.636 90 R N -0.220 120.187 120.500 -0.154 0.000 2.585 90 R HA 0.412 4.752 4.340 -0.000 0.000 0.275 90 R C 1.365 177.647 176.300 -0.030 0.000 1.018 90 R CA 2.229 58.296 56.100 -0.055 0.000 1.072 90 R CB -0.098 30.181 30.300 -0.035 0.000 0.953 90 R HN 2.275 nan 8.270 nan 0.000 0.419 91 G N 1.068 109.880 108.800 0.021 0.000 2.475 91 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.209 91 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.209 91 G C 0.112 175.046 174.900 0.055 0.000 1.127 91 G CA -0.255 44.859 45.100 0.023 0.000 0.681 91 G HN 0.898 nan 8.290 nan 0.000 0.517 92 A N 1.022 123.884 122.820 0.070 0.000 2.537 92 A HA 0.540 4.859 4.320 -0.000 0.000 0.260 92 A C 1.771 179.492 177.584 0.228 0.000 1.082 92 A CA 1.044 53.167 52.037 0.143 0.000 0.765 92 A CB 0.762 19.883 19.000 0.202 0.000 1.019 92 A HN 1.642 nan 8.150 nan 0.000 0.507 93 V N 4.059 124.068 119.914 0.157 0.000 2.439 93 V HA -0.255 3.865 4.120 -0.000 0.000 0.253 93 V C 2.213 178.519 176.094 0.353 0.000 1.074 93 V CA 3.021 65.439 62.300 0.196 0.000 1.076 93 V CB -0.854 31.002 31.823 0.054 0.000 0.664 93 V HN 1.058 nan 8.190 nan 0.000 0.461 94 G N -1.549 107.410 108.800 0.265 0.000 2.443 94 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 94 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 94 G C 1.039 175.850 174.900 -0.149 0.000 1.131 94 G CA 0.750 45.897 45.100 0.079 0.000 0.775 94 G HN 0.593 nan 8.290 nan 0.000 0.547 95 F N 0.404 120.392 119.950 0.064 0.000 2.641 95 F HA 0.471 4.998 4.527 -0.000 0.000 0.302 95 F C 0.712 176.555 175.800 0.072 0.000 1.098 95 F CA -0.512 57.502 58.000 0.022 0.000 1.318 95 F CB 0.193 39.197 39.000 0.006 0.000 1.035 95 F HN -0.113 nan 8.300 nan 0.000 0.551 96 L N 0.034 121.440 121.223 0.305 0.000 2.360 96 L HA 0.428 4.768 4.340 -0.000 0.000 0.271 96 L C -0.380 176.616 176.870 0.210 0.000 1.057 96 L CA -0.792 54.201 54.840 0.255 0.000 0.803 96 L CB 0.985 43.209 42.059 0.276 0.000 1.207 96 L HN -0.152 nan 8.230 nan 0.000 0.445 97 D N 0.866 121.354 120.400 0.148 0.000 2.299 97 D HA 0.293 4.933 4.640 -0.000 0.000 0.243 97 D C -1.670 174.690 176.300 0.100 0.000 0.982 97 D CA -1.683 52.371 54.000 0.090 0.000 0.924 97 D CB 1.720 42.561 40.800 0.068 0.000 1.238 97 D HN 0.115 nan 8.370 nan 0.000 0.484 98 P HA -0.253 nan 4.420 nan 0.000 0.233 98 P C -1.613 175.733 177.300 0.077 0.000 1.141 98 P CA 2.400 65.545 63.100 0.074 0.000 0.951 98 P CB -0.668 31.056 31.700 0.040 0.000 0.778 99 P HA -0.164 nan 4.420 nan 0.000 0.202 99 P C 1.221 178.548 177.300 0.045 0.000 1.149 99 P CA 1.693 64.818 63.100 0.042 0.000 0.931 99 P CB -0.532 31.189 31.700 0.035 0.000 0.762 100 D N -2.199 118.233 120.400 0.053 0.000 2.117 100 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 100 D C 1.941 178.265 176.300 0.040 0.000 0.987 100 D CA 1.100 55.125 54.000 0.041 0.000 0.829 100 D CB -1.120 39.709 40.800 0.049 0.000 0.961 100 D HN 0.339 nan 8.370 nan 0.000 0.460 101 H N 0.696 119.758 119.070 -0.014 0.000 2.319 101 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 101 H C 1.478 176.759 175.328 -0.078 0.000 1.092 101 H CA 1.962 57.980 56.048 -0.051 0.000 1.302 101 H CB 0.119 29.833 29.762 -0.080 0.000 1.373 101 H HN 0.059 nan 8.280 nan 0.000 0.497 102 T N 1.059 115.613 114.554 -0.001 0.000 2.746 102 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 102 T C 2.214 176.856 174.700 -0.097 0.000 1.039 102 T CA 1.206 63.276 62.100 -0.050 0.000 1.142 102 T CB -0.082 68.796 68.868 0.017 0.000 0.866 102 T HN 0.403 nan 8.240 nan 0.000 0.444 103 R N 0.188 120.647 120.500 -0.068 0.000 2.081 103 R HA -0.012 4.328 4.340 -0.000 0.000 0.235 103 R C 2.367 178.610 176.300 -0.095 0.000 1.131 103 R CA 0.983 57.046 56.100 -0.062 0.000 0.960 103 R CB -0.602 29.676 30.300 -0.037 0.000 0.856 103 R HN 0.214 nan 8.270 nan 0.000 0.436 104 L N 1.106 122.248 121.223 -0.135 0.000 1.994 104 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 104 L C 2.260 179.010 176.870 -0.200 0.000 1.071 104 L CA 1.763 56.509 54.840 -0.158 0.000 0.745 104 L CB -0.358 41.598 42.059 -0.171 0.000 0.892 104 L HN 0.001 nan 8.230 nan 0.000 0.431 105 R N -0.495 119.820 120.500 -0.310 0.000 2.096 105 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 105 R C 2.328 178.537 176.300 -0.152 0.000 1.127 105 R CA 1.338 57.266 56.100 -0.287 0.000 0.968 105 R CB -0.823 29.242 30.300 -0.392 0.000 0.861 105 R HN 0.438 nan 8.270 nan 0.000 0.440 106 R N 1.175 121.606 120.500 -0.116 0.000 2.120 106 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 106 R C 2.165 178.443 176.300 -0.037 0.000 1.123 106 R CA 1.818 57.884 56.100 -0.057 0.000 0.975 106 R CB -0.114 30.158 30.300 -0.046 0.000 0.866 106 R HN 0.274 nan 8.270 nan 0.000 0.446 107 S N -0.128 115.543 115.700 -0.048 0.000 2.400 107 S HA -0.117 4.353 4.470 -0.000 0.000 0.232 107 S C 1.786 176.384 174.600 -0.003 0.000 1.025 107 S CA 1.279 59.462 58.200 -0.028 0.000 0.993 107 S CB -0.154 63.022 63.200 -0.039 0.000 0.808 107 S HN 0.346 nan 8.310 nan 0.000 0.478 108 V N -2.777 117.145 119.914 0.013 0.000 3.477 108 V HA 0.710 4.830 4.120 -0.000 0.000 0.297 108 V C 2.212 178.413 176.094 0.179 0.000 1.433 108 V CA 0.111 62.472 62.300 0.101 0.000 1.052 108 V CB -0.666 31.260 31.823 0.172 0.000 0.895 108 V HN 0.423 nan 8.190 nan 0.000 0.438 109 A N 1.770 124.642 122.820 0.087 0.000 1.903 109 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 109 A C 2.483 180.138 177.584 0.119 0.000 1.191 109 A CA 3.011 55.109 52.037 0.101 0.000 0.638 109 A CB -1.084 17.940 19.000 0.040 0.000 0.823 109 A HN 1.219 nan 8.150 nan 0.000 0.451 110 A N -0.581 122.275 122.820 0.060 0.000 1.978 110 A HA 0.114 4.434 4.320 -0.000 0.000 0.220 110 A C 2.394 179.968 177.584 -0.016 0.000 1.170 110 A CA 2.174 54.224 52.037 0.022 0.000 0.636 110 A CB -0.838 18.163 19.000 0.002 0.000 0.810 110 A HN 1.218 nan 8.150 nan 0.000 0.448 111 A N -2.067 120.721 122.820 -0.054 0.000 2.067 111 A HA 0.265 4.585 4.320 -0.000 0.000 0.217 111 A C 1.481 178.808 177.584 -0.427 0.000 1.156 111 A CA 0.823 52.701 52.037 -0.264 0.000 0.683 111 A CB -0.444 18.316 19.000 -0.401 0.000 0.808 111 A HN 0.475 nan 8.150 nan 0.000 0.455 112 F N 0.518 120.439 119.950 -0.048 0.000 2.695 112 F HA 0.103 4.630 4.527 -0.000 0.000 0.303 112 F C 1.570 177.347 175.800 -0.039 0.000 1.091 112 F CA 0.419 58.384 58.000 -0.059 0.000 1.300 112 F CB -0.037 38.909 39.000 -0.090 0.000 1.071 112 F HN 0.117 nan 8.300 nan 0.000 0.578 113 T N -2.110 112.503 114.554 0.098 0.000 2.726 113 T HA 0.400 4.750 4.350 -0.000 0.000 0.294 113 T C 1.667 176.387 174.700 0.032 0.000 1.013 113 T CA -0.106 62.036 62.100 0.070 0.000 0.996 113 T CB 1.258 70.153 68.868 0.046 0.000 1.016 113 T HN 0.097 nan 8.240 nan 0.000 0.529 114 A N 0.484 123.321 122.820 0.028 0.000 1.908 114 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 114 A C 2.498 180.084 177.584 0.003 0.000 1.181 114 A CA 1.909 53.956 52.037 0.016 0.000 0.627 114 A CB -0.908 18.104 19.000 0.019 0.000 0.818 114 A HN 0.937 nan 8.150 nan 0.000 0.445 115 R N -0.692 119.809 120.500 0.001 0.000 2.090 115 R HA -0.063 4.277 4.340 -0.000 0.000 0.228 115 R C 2.280 178.566 176.300 -0.024 0.000 1.110 115 R CA 1.383 57.478 56.100 -0.007 0.000 0.973 115 R CB -0.671 29.626 30.300 -0.004 0.000 0.869 115 R HN 0.453 nan 8.270 nan 0.000 0.440 116 G N 0.642 109.422 108.800 -0.032 0.000 2.459 116 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 116 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 116 G C 1.390 176.229 174.900 -0.102 0.000 1.183 116 G CA 1.300 46.358 45.100 -0.071 0.000 0.776 116 G HN 0.348 nan 8.290 nan 0.000 0.552 117 V N -1.783 118.075 119.914 -0.092 0.000 2.809 117 V HA 0.014 4.134 4.120 -0.000 0.000 0.256 117 V C 2.231 178.291 176.094 -0.057 0.000 1.080 117 V CA 1.895 64.135 62.300 -0.100 0.000 1.102 117 V CB -0.298 31.484 31.823 -0.069 0.000 0.705 117 V HN 0.186 nan 8.190 nan 0.000 0.475 118 E N 1.127 121.307 120.200 -0.034 0.000 2.267 118 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 118 E C 2.241 178.828 176.600 -0.020 0.000 0.998 118 E CA 1.304 57.695 56.400 -0.015 0.000 0.830 118 E CB -0.444 29.252 29.700 -0.007 0.000 0.751 118 E HN 0.730 nan 8.360 nan 0.000 0.491 119 R N 1.272 121.750 120.500 -0.037 0.000 2.117 119 R HA -0.142 4.198 4.340 -0.000 0.000 0.243 119 R C 1.945 178.227 176.300 -0.029 0.000 1.143 119 R CA 1.880 57.958 56.100 -0.036 0.000 0.968 119 R CB -0.066 30.201 30.300 -0.055 0.000 0.863 119 R HN 0.191 nan 8.270 nan 0.000 0.444 120 V N -2.027 117.865 119.914 -0.037 0.000 3.542 120 V HA 0.192 4.312 4.120 -0.000 0.000 0.296 120 V C 2.042 178.139 176.094 0.005 0.000 1.364 120 V CA 0.307 62.593 62.300 -0.023 0.000 1.118 120 V CB -0.265 31.529 31.823 -0.048 0.000 0.972 120 V HN 0.199 nan 8.190 nan 0.000 0.430 121 R N 1.239 121.747 120.500 0.013 0.000 2.080 121 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 121 R C 2.250 178.582 176.300 0.054 0.000 1.137 121 R CA 2.514 58.639 56.100 0.041 0.000 0.943 121 R CB -0.233 30.087 30.300 0.033 0.000 0.846 121 R HN 0.673 nan 8.270 nan 0.000 0.431 122 E N -0.278 119.944 120.200 0.037 0.000 2.058 122 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 122 E C 2.276 178.905 176.600 0.048 0.000 0.997 122 E CA 1.489 57.912 56.400 0.038 0.000 0.801 122 E CB -0.031 29.683 29.700 0.024 0.000 0.746 122 E HN 0.323 nan 8.360 nan 0.000 0.450 123 R N 0.281 120.807 120.500 0.044 0.000 2.096 123 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 123 R C 2.560 178.913 176.300 0.088 0.000 1.127 123 R CA 1.320 57.452 56.100 0.052 0.000 0.968 123 R CB -0.113 30.209 30.300 0.036 0.000 0.861 123 R HN -0.005 nan 8.270 nan 0.000 0.440 124 S N 0.408 116.171 115.700 0.105 0.000 2.368 124 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 124 S C 1.850 176.629 174.600 0.298 0.000 1.030 124 S CA 0.901 59.225 58.200 0.206 0.000 0.999 124 S CB -0.191 63.109 63.200 0.165 0.000 0.844 124 S HN 0.266 nan 8.310 nan 0.000 0.459 125 R N 1.377 121.981 120.500 0.173 0.000 2.081 125 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 125 R C 2.317 178.655 176.300 0.063 0.000 1.131 125 R CA 1.750 57.910 56.100 0.099 0.000 0.960 125 R CB -1.137 29.198 30.300 0.058 0.000 0.856 125 R HN 0.467 nan 8.270 nan 0.000 0.436 126 G N 0.797 109.639 108.800 0.071 0.000 2.402 126 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 126 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 126 G C 1.665 176.604 174.900 0.065 0.000 1.162 126 G CA 0.744 45.874 45.100 0.050 0.000 0.777 126 G HN 0.264 nan 8.290 nan 0.000 0.539 127 M N -0.346 119.328 119.600 0.123 0.000 2.159 127 M HA -0.011 4.469 4.480 -0.000 0.000 0.263 127 M C 2.450 178.833 176.300 0.139 0.000 1.063 127 M CA 0.966 56.361 55.300 0.159 0.000 1.110 127 M CB -0.343 32.399 32.600 0.237 0.000 1.374 127 M HN 0.277 nan 8.290 nan 0.000 0.411 128 L N 0.696 121.971 121.223 0.088 0.000 2.093 128 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 128 L C 1.738 178.525 176.870 -0.139 0.000 1.085 128 L CA 1.936 56.658 54.840 -0.197 0.000 0.755 128 L CB -0.728 40.984 42.059 -0.580 0.000 0.904 128 L HN 0.183 nan 8.230 nan 0.000 0.435 129 D N -0.484 119.871 120.400 -0.075 0.000 2.178 129 D HA -0.152 4.488 4.640 -0.000 0.000 0.202 129 D C 2.002 178.274 176.300 -0.046 0.000 0.974 129 D CA 0.871 54.831 54.000 -0.067 0.000 0.841 129 D CB 0.132 40.908 40.800 -0.041 0.000 0.953 129 D HN 0.432 nan 8.370 nan 0.000 0.478 130 E N 0.563 120.753 120.200 -0.017 0.000 2.072 130 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 130 E C 2.528 179.120 176.600 -0.014 0.000 0.985 130 E CA 0.265 56.663 56.400 -0.005 0.000 0.801 130 E CB -0.222 29.488 29.700 0.018 0.000 0.750 130 E HN 0.363 nan 8.360 nan 0.000 0.452 131 L N 0.395 121.607 121.223 -0.018 0.000 2.046 131 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 131 L C 2.559 179.392 176.870 -0.062 0.000 1.077 131 L CA 0.755 55.579 54.840 -0.026 0.000 0.747 131 L CB -0.436 41.613 42.059 -0.017 0.000 0.896 131 L HN -0.017 nan 8.230 nan 0.000 0.432 132 V N -0.473 119.379 119.914 -0.103 0.000 2.427 132 V HA -0.257 3.862 4.120 -0.000 0.000 0.248 132 V C 2.094 178.129 176.094 -0.097 0.000 1.051 132 V CA 1.668 63.885 62.300 -0.140 0.000 1.048 132 V CB -0.512 31.204 31.823 -0.179 0.000 0.666 132 V HN 0.400 nan 8.190 nan 0.000 0.456 133 D N 0.731 121.094 120.400 -0.062 0.000 2.116 133 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 133 D C 2.235 178.534 176.300 -0.001 0.000 0.998 133 D CA 1.838 55.820 54.000 -0.029 0.000 0.836 133 D CB -0.358 40.432 40.800 -0.017 0.000 0.951 133 D HN 0.437 nan 8.370 nan 0.000 0.449 134 A N 0.578 123.398 122.820 0.000 0.000 1.902 134 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 134 A C 2.202 179.815 177.584 0.049 0.000 1.181 134 A CA 1.616 53.666 52.037 0.022 0.000 0.623 134 A CB -0.597 18.411 19.000 0.012 0.000 0.818 134 A HN 0.255 nan 8.150 nan 0.000 0.443 135 M N -0.554 119.063 119.600 0.029 0.000 2.132 135 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 135 M C 1.884 178.302 176.300 0.196 0.000 1.065 135 M CA 1.591 56.940 55.300 0.081 0.000 1.122 135 M CB -0.259 32.327 32.600 -0.023 0.000 1.365 135 M HN 0.410 nan 8.290 nan 0.000 0.411 136 L N -0.487 120.795 121.223 0.099 0.000 2.046 136 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 136 L C 2.699 179.755 176.870 0.310 0.000 1.077 136 L CA 1.426 56.397 54.840 0.219 0.000 0.747 136 L CB -0.749 41.333 42.059 0.039 0.000 0.896 136 L HN 0.383 nan 8.230 nan 0.000 0.432 137 R N 0.456 121.068 120.500 0.187 0.000 2.096 137 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 137 R C 2.263 178.670 176.300 0.178 0.000 1.127 137 R CA 1.315 57.522 56.100 0.179 0.000 0.968 137 R CB -0.182 30.177 30.300 0.099 0.000 0.861 137 R HN 0.325 nan 8.270 nan 0.000 0.440 138 A N 0.161 123.072 122.820 0.151 0.000 2.015 138 A HA 0.187 4.507 4.320 -0.000 0.000 0.219 138 A C 0.883 178.484 177.584 0.029 0.000 1.163 138 A CA 1.115 53.204 52.037 0.086 0.000 0.646 138 A CB -0.441 18.610 19.000 0.084 0.000 0.806 138 A HN 0.628 nan 8.150 nan 0.000 0.448 139 G N -2.549 106.318 108.800 0.112 0.000 2.770 139 G HA2 0.070 4.030 3.960 -0.000 0.000 0.686 139 G HA3 0.070 4.030 3.960 -0.000 0.000 0.686 139 G C -1.365 173.346 174.900 -0.315 0.000 1.180 139 G CA -0.459 44.551 45.100 -0.150 0.000 0.767 139 G HN 0.048 nan 8.290 nan 0.000 0.646 140 P HA -0.181 nan 4.420 nan 0.000 0.224 140 P C -1.681 174.842 177.300 -1.295 0.000 1.031 140 P CA 2.616 64.579 63.100 -1.895 0.000 1.031 140 P CB -0.950 30.109 31.700 -1.068 0.000 0.742 141 P HA 0.194 nan 4.420 nan 0.000 0.266 141 P C -0.904 176.325 177.300 -0.120 0.000 1.215 141 P CA 1.041 63.969 63.100 -0.286 0.000 0.763 141 P CB 0.530 32.118 31.700 -0.186 0.000 0.806 142 A N 3.040 125.885 122.820 0.041 0.000 2.606 142 A HA 0.487 4.807 4.320 -0.000 0.000 0.293 142 A C -1.310 176.347 177.584 0.122 0.000 1.082 142 A CA -0.594 51.530 52.037 0.145 0.000 0.685 142 A CB 1.349 20.554 19.000 0.342 0.000 1.284 142 A HN 0.427 nan 8.150 nan 0.000 0.408 143 D N 1.510 121.959 120.400 0.083 0.000 2.443 143 D HA 0.300 4.940 4.640 -0.000 0.000 0.221 143 D C 0.803 177.130 176.300 0.045 0.000 1.097 143 D CA -0.482 53.552 54.000 0.057 0.000 0.865 143 D CB 1.017 41.839 40.800 0.037 0.000 1.034 143 D HN 0.314 nan 8.370 nan 0.000 0.511 144 L N 3.758 125.001 121.223 0.033 0.000 2.129 144 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 144 L C 1.828 178.691 176.870 -0.011 0.000 1.087 144 L CA 1.891 56.717 54.840 -0.023 0.000 0.757 144 L CB -0.581 41.430 42.059 -0.080 0.000 0.896 144 L HN 0.438 nan 8.230 nan 0.000 0.434 145 T N -1.100 113.463 114.554 0.015 0.000 2.668 145 T HA -0.209 4.141 4.350 -0.000 0.000 0.262 145 T C 1.721 176.441 174.700 0.033 0.000 1.045 145 T CA 1.495 63.612 62.100 0.027 0.000 1.152 145 T CB -0.187 68.689 68.868 0.013 0.000 0.864 145 T HN 0.484 nan 8.240 nan 0.000 0.419 146 E N 0.937 121.152 120.200 0.026 0.000 2.110 146 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 146 E C 2.228 178.846 176.600 0.029 0.000 0.988 146 E CA 1.073 57.490 56.400 0.028 0.000 0.804 146 E CB -0.157 29.557 29.700 0.023 0.000 0.745 146 E HN 0.466 nan 8.360 nan 0.000 0.458 147 A N -0.145 122.689 122.820 0.023 0.000 2.021 147 A HA 0.046 4.365 4.320 -0.000 0.000 0.216 147 A C 1.864 179.451 177.584 0.005 0.000 1.163 147 A CA 1.048 53.095 52.037 0.016 0.000 0.676 147 A CB 0.438 19.451 19.000 0.020 0.000 0.818 147 A HN 0.223 nan 8.150 nan 0.000 0.453 148 V N -1.480 118.435 119.914 0.003 0.000 3.279 148 V HA 0.076 4.196 4.120 -0.000 0.000 0.213 148 V C 2.055 178.201 176.094 0.086 0.000 1.335 148 V CA 0.431 62.732 62.300 0.001 0.000 1.317 148 V CB -0.692 31.067 31.823 -0.107 0.000 1.209 148 V HN 0.390 nan 8.190 nan 0.000 0.525 149 L N 0.601 121.871 121.223 0.078 0.000 2.131 149 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 149 L C 2.532 179.501 176.870 0.165 0.000 1.092 149 L CA 2.003 56.935 54.840 0.153 0.000 0.759 149 L CB -0.536 41.607 42.059 0.139 0.000 0.903 149 L HN 0.453 nan 8.230 nan 0.000 0.435 150 S N 0.068 115.843 115.700 0.124 0.000 2.356 150 S HA 0.032 4.502 4.470 -0.000 0.000 0.219 150 S C -0.281 174.409 174.600 0.149 0.000 1.036 150 S CA 0.658 58.927 58.200 0.116 0.000 0.965 150 S CB -0.761 62.488 63.200 0.081 0.000 0.864 150 S HN 0.201 nan 8.310 nan 0.000 0.471 151 P HA -0.046 nan 4.420 nan 0.000 0.219 151 P C 1.383 178.854 177.300 0.285 0.000 1.150 151 P CA 0.727 63.963 63.100 0.228 0.000 0.814 151 P CB -0.224 31.562 31.700 0.144 0.000 0.787 152 F N 2.640 122.648 119.950 0.098 0.000 2.069 152 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 152 F C -0.815 175.035 175.800 0.084 0.000 1.113 152 F CA 1.387 59.438 58.000 0.087 0.000 1.214 152 F CB -1.948 37.093 39.000 0.068 0.000 0.978 152 F HN -0.018 nan 8.300 nan 0.000 0.474 153 P HA -0.183 nan 4.420 nan 0.000 0.216 153 P C 2.056 179.263 177.300 -0.156 0.000 1.150 153 P CA 2.004 64.993 63.100 -0.185 0.000 0.843 153 P CB -0.135 31.562 31.700 -0.006 0.000 0.787 154 I N -0.912 119.611 120.570 -0.079 0.000 2.252 154 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 154 I C 2.315 178.318 176.117 -0.191 0.000 1.102 154 I CA 1.374 62.579 61.300 -0.158 0.000 1.385 154 I CB -0.793 37.049 38.000 -0.263 0.000 1.064 154 I HN -0.085 nan 8.210 nan 0.000 0.414 155 A N 0.467 123.249 122.820 -0.063 0.000 1.902 155 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 155 A C 2.426 179.958 177.584 -0.086 0.000 1.181 155 A CA 1.635 53.681 52.037 0.015 0.000 0.623 155 A CB -0.873 18.219 19.000 0.154 0.000 0.818 155 A HN 0.239 nan 8.150 nan 0.000 0.443 156 V N -0.388 119.381 119.914 -0.242 0.000 2.307 156 V HA -0.217 3.902 4.120 -0.000 0.000 0.245 156 V C 2.360 178.371 176.094 -0.138 0.000 1.045 156 V CA 1.902 64.050 62.300 -0.254 0.000 1.024 156 V CB -0.649 30.891 31.823 -0.472 0.000 0.651 156 V HN 0.574 nan 8.190 nan 0.000 0.449 157 I N -0.369 120.133 120.570 -0.113 0.000 2.361 157 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 157 I C 2.334 178.448 176.117 -0.005 0.000 1.133 157 I CA 1.254 62.532 61.300 -0.038 0.000 1.413 157 I CB -0.519 37.482 38.000 0.003 0.000 1.073 157 I HN 0.313 nan 8.210 nan 0.000 0.424 158 C N 0.202 119.490 119.300 -0.020 0.000 2.429 158 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 158 C C 2.691 177.697 174.990 0.026 0.000 1.262 158 C CA 1.244 60.272 59.018 0.018 0.000 1.733 158 C CB -1.004 26.730 27.740 -0.010 0.000 2.010 158 C HN 0.575 nan 8.230 nan 0.000 0.483 159 E N 0.712 120.909 120.200 -0.004 0.000 2.047 159 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 159 E C 1.906 178.492 176.600 -0.024 0.000 0.987 159 E CA 1.027 57.422 56.400 -0.007 0.000 0.799 159 E CB -0.462 29.227 29.700 -0.018 0.000 0.752 159 E HN 0.459 nan 8.360 nan 0.000 0.449 160 L N -0.174 121.015 121.223 -0.057 0.000 2.093 160 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 160 L C 2.047 178.872 176.870 -0.076 0.000 1.085 160 L CA 1.468 56.241 54.840 -0.111 0.000 0.755 160 L CB -0.271 41.671 42.059 -0.196 0.000 0.904 160 L HN 0.241 nan 8.230 nan 0.000 0.435 161 M N -0.818 118.784 119.600 0.002 0.000 2.394 161 M HA 0.137 4.617 4.480 -0.000 0.000 0.264 161 M C 1.581 177.941 176.300 0.100 0.000 1.073 161 M CA 1.112 56.458 55.300 0.077 0.000 1.111 161 M CB -1.433 31.279 32.600 0.188 0.000 1.401 161 M HN 0.461 nan 8.290 nan 0.000 0.448 162 G N 0.897 109.741 108.800 0.073 0.000 2.142 162 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.225 162 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.225 162 G C -0.014 174.953 174.900 0.112 0.000 1.015 162 G CA -0.004 45.140 45.100 0.073 0.000 0.716 162 G HN 0.321 nan 8.290 nan 0.000 0.508 163 V N 2.641 122.636 119.914 0.135 0.000 2.521 163 V HA 0.302 4.422 4.120 -0.000 0.000 0.286 163 V C -0.734 175.423 176.094 0.106 0.000 1.034 163 V CA -0.866 61.526 62.300 0.153 0.000 1.045 163 V CB 0.908 32.807 31.823 0.127 0.000 0.974 163 V HN 0.352 nan 8.190 nan 0.000 0.480 164 P HA 0.009 nan 4.420 nan 0.000 0.264 164 P C 0.663 177.999 177.300 0.060 0.000 1.183 164 P CA 0.262 63.410 63.100 0.081 0.000 0.763 164 P CB 0.872 32.627 31.700 0.091 0.000 0.807 165 A N 3.613 126.459 122.820 0.045 0.000 1.903 165 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 165 A C 2.361 179.962 177.584 0.028 0.000 1.191 165 A CA 2.748 54.807 52.037 0.037 0.000 0.638 165 A CB -2.014 17.004 19.000 0.030 0.000 0.823 165 A HN 0.596 nan 8.150 nan 0.000 0.451 166 T N -1.252 113.315 114.554 0.021 0.000 2.897 166 T HA -0.163 4.187 4.350 -0.000 0.000 0.271 166 T C 0.929 175.623 174.700 -0.010 0.000 1.084 166 T CA 2.109 64.212 62.100 0.004 0.000 1.123 166 T CB -0.523 68.350 68.868 0.007 0.000 0.865 166 T HN 0.585 nan 8.240 nan 0.000 0.496 167 D N -0.852 119.543 120.400 -0.009 0.000 2.398 167 D HA 0.234 4.873 4.640 -0.000 0.000 0.210 167 D C 2.131 178.341 176.300 -0.150 0.000 1.094 167 D CA -0.165 53.776 54.000 -0.099 0.000 0.839 167 D CB 0.235 40.983 40.800 -0.088 0.000 0.963 167 D HN 0.292 nan 8.370 nan 0.000 0.506 168 R N -0.158 120.318 120.500 -0.039 0.000 2.148 168 R HA -0.108 4.232 4.340 -0.000 0.000 0.227 168 R C 1.920 178.252 176.300 0.053 0.000 1.103 168 R CA 0.781 56.877 56.100 -0.007 0.000 0.983 168 R CB -0.271 30.067 30.300 0.065 0.000 0.874 168 R HN 0.398 nan 8.270 nan 0.000 0.451 169 H N 0.423 119.463 119.070 -0.051 0.000 2.387 169 H HA -0.007 4.549 4.556 -0.000 0.000 0.299 169 H C 1.599 176.812 175.328 -0.191 0.000 1.090 169 H CA 1.555 57.567 56.048 -0.061 0.000 1.332 169 H CB 0.398 30.094 29.762 -0.109 0.000 1.386 169 H HN 0.060 nan 8.280 nan 0.000 0.516 170 S N 0.239 115.751 115.700 -0.314 0.000 2.402 170 S HA -0.096 4.373 4.470 -0.000 0.000 0.229 170 S C 2.275 176.404 174.600 -0.784 0.000 1.021 170 S CA 0.813 58.536 58.200 -0.795 0.000 0.974 170 S CB -0.028 62.460 63.200 -1.186 0.000 0.800 170 S HN 0.332 nan 8.310 nan 0.000 0.484 171 M N 0.898 120.265 119.600 -0.388 0.000 2.086 171 M HA -0.068 4.412 4.480 -0.000 0.000 0.261 171 M C 1.927 178.176 176.300 -0.085 0.000 1.067 171 M CA 1.540 56.777 55.300 -0.104 0.000 1.116 171 M CB -1.534 30.993 32.600 -0.120 0.000 1.348 171 M HN 0.389 nan 8.290 nan 0.000 0.407 172 H N -0.408 118.571 119.070 -0.152 0.000 2.290 172 H HA -0.101 4.455 4.556 -0.000 0.000 0.298 172 H C 2.011 177.260 175.328 -0.133 0.000 1.087 172 H CA 2.165 58.133 56.048 -0.133 0.000 1.291 172 H CB -0.427 29.212 29.762 -0.206 0.000 1.369 172 H HN 0.341 nan 8.280 nan 0.000 0.492 173 T N 0.728 115.211 114.554 -0.118 0.000 2.674 173 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 173 T C 1.891 176.608 174.700 0.028 0.000 1.039 173 T CA 1.082 63.108 62.100 -0.123 0.000 1.150 173 T CB -0.307 68.403 68.868 -0.264 0.000 0.864 173 T HN 0.392 nan 8.240 nan 0.000 0.427 174 W N 1.781 123.049 121.300 -0.053 0.000 2.335 174 W HA -0.116 4.544 4.660 -0.000 0.000 0.311 174 W C 2.722 179.229 176.519 -0.020 0.000 1.213 174 W CA 1.009 58.330 57.345 -0.039 0.000 1.274 174 W CB -1.731 27.694 29.460 -0.059 0.000 1.148 174 W HN 0.282 nan 8.180 nan 0.000 0.498 175 T N 0.610 115.296 114.554 0.220 0.000 2.684 175 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 175 T C 1.777 176.532 174.700 0.092 0.000 1.036 175 T CA 1.792 63.967 62.100 0.125 0.000 1.148 175 T CB -0.328 68.582 68.868 0.070 0.000 0.863 175 T HN 0.045 nan 8.240 nan 0.000 0.436 176 Q N 0.648 120.497 119.800 0.081 0.000 2.167 176 Q HA 0.125 4.464 4.340 -0.000 0.000 0.202 176 Q C 2.467 178.504 176.000 0.062 0.000 0.970 176 Q CA 0.842 56.681 55.803 0.061 0.000 0.855 176 Q CB -0.586 28.181 28.738 0.047 0.000 0.911 176 Q HN 0.506 nan 8.270 nan 0.000 0.438 177 L N -0.190 121.083 121.223 0.084 0.000 2.093 177 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 177 L C 2.256 179.169 176.870 0.072 0.000 1.085 177 L CA 0.784 55.675 54.840 0.084 0.000 0.755 177 L CB -0.329 41.806 42.059 0.128 0.000 0.904 177 L HN 0.155 nan 8.230 nan 0.000 0.435 178 I N -0.380 120.237 120.570 0.078 0.000 2.406 178 I HA -0.200 3.970 4.170 -0.000 0.000 0.249 178 I C 1.281 177.422 176.117 0.040 0.000 1.122 178 I CA 0.741 62.072 61.300 0.052 0.000 1.431 178 I CB 0.064 38.094 38.000 0.051 0.000 1.087 178 I HN 0.148 nan 8.210 nan 0.000 0.424 179 L N 1.778 123.028 121.223 0.045 0.000 2.803 179 L HA 0.062 4.402 4.340 -0.000 0.000 0.241 179 L C 0.907 177.794 176.870 0.027 0.000 1.404 179 L CA -0.350 54.511 54.840 0.034 0.000 1.211 179 L CB -0.775 41.306 42.059 0.037 0.000 1.585 179 L HN 0.150 nan 8.230 nan 0.000 0.430 180 S N 0.658 116.373 115.700 0.025 0.000 3.074 180 S HA 0.024 4.494 4.470 -0.000 0.000 0.359 180 S C 0.108 174.717 174.600 0.016 0.000 1.207 180 S CA 0.350 58.563 58.200 0.021 0.000 1.061 180 S CB 0.143 63.353 63.200 0.017 0.000 0.769 180 S HN 0.561 nan 8.310 nan 0.000 0.512 181 S N 3.055 118.766 115.700 0.018 0.000 2.578 181 S HA 0.526 4.996 4.470 -0.000 0.000 0.272 181 S C 0.063 174.674 174.600 0.018 0.000 1.145 181 S CA 0.500 58.710 58.200 0.016 0.000 0.835 181 S CB 0.857 64.065 63.200 0.014 0.000 1.104 181 S HN 2.045 nan 8.310 nan 0.000 0.458 182 S N 0.001 115.710 115.700 0.015 0.000 2.261 182 S HA -0.131 4.339 4.470 -0.000 0.000 0.247 182 S C 0.298 174.908 174.600 0.017 0.000 1.195 182 S CA 2.770 60.980 58.200 0.016 0.000 1.464 182 S CB -2.315 60.895 63.200 0.018 0.000 1.835 182 S HN 2.555 nan 8.310 nan 0.000 0.598 183 H N -1.648 117.433 119.070 0.018 0.000 2.883 183 H HA 0.753 5.309 4.556 -0.000 0.000 0.277 183 H C 0.451 175.789 175.328 0.016 0.000 1.451 183 H CA 0.339 56.397 56.048 0.017 0.000 1.157 183 H CB 0.194 29.968 29.762 0.021 0.000 1.851 183 H HN 1.059 nan 8.280 nan 0.000 0.566 184 G N -1.447 107.361 108.800 0.014 0.000 2.606 184 G HA2 0.578 4.538 3.960 -0.000 0.000 0.262 184 G HA3 0.578 4.538 3.960 -0.000 0.000 0.262 184 G C 1.814 176.721 174.900 0.011 0.000 1.394 184 G CA 0.405 45.512 45.100 0.011 0.000 1.044 184 G HN 1.742 nan 8.290 nan 0.000 0.553 185 A N -1.295 121.530 122.820 0.007 0.000 2.042 185 A HA 0.039 4.359 4.320 -0.000 0.000 0.222 185 A C 2.230 179.818 177.584 0.007 0.000 1.167 185 A CA 2.811 54.851 52.037 0.005 0.000 0.649 185 A CB -1.258 17.742 19.000 0.001 0.000 0.809 185 A HN 1.121 nan 8.150 nan 0.000 0.457 186 E N -0.821 119.384 120.200 0.008 0.000 1.928 186 E HA -0.209 4.141 4.350 -0.000 0.000 0.215 186 E C 2.098 178.708 176.600 0.016 0.000 0.964 186 E CA 1.738 58.144 56.400 0.010 0.000 0.882 186 E CB -1.455 28.253 29.700 0.012 0.000 0.814 186 E HN 0.854 nan 8.360 nan 0.000 0.565 187 V N 0.815 120.743 119.914 0.023 0.000 2.511 187 V HA -0.267 3.852 4.120 -0.000 0.000 0.257 187 V C 2.636 178.754 176.094 0.039 0.000 1.088 187 V CA 3.261 65.582 62.300 0.035 0.000 1.098 187 V CB -0.569 31.277 31.823 0.039 0.000 0.674 187 V HN 0.701 nan 8.190 nan 0.000 0.470 188 S N -0.826 114.890 115.700 0.028 0.000 2.383 188 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 188 S C 1.785 176.391 174.600 0.009 0.000 1.026 188 S CA 1.746 59.962 58.200 0.025 0.000 0.981 188 S CB -0.273 62.938 63.200 0.019 0.000 0.818 188 S HN 0.841 nan 8.310 nan 0.000 0.472 189 E N 0.691 120.892 120.200 0.002 0.000 2.072 189 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 189 E C 2.398 178.984 176.600 -0.023 0.000 0.985 189 E CA 0.688 57.080 56.400 -0.013 0.000 0.801 189 E CB -0.226 29.468 29.700 -0.010 0.000 0.750 189 E HN 0.420 nan 8.360 nan 0.000 0.452 190 R N 1.038 121.535 120.500 -0.005 0.000 2.073 190 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 190 R C 2.286 178.565 176.300 -0.035 0.000 1.134 190 R CA 1.421 57.519 56.100 -0.004 0.000 0.952 190 R CB -0.249 30.070 30.300 0.031 0.000 0.850 190 R HN 0.159 nan 8.270 nan 0.000 0.433 191 A N 0.985 123.800 122.820 -0.007 0.000 1.933 191 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 191 A C 2.048 179.461 177.584 -0.285 0.000 1.175 191 A CA 1.674 53.672 52.037 -0.065 0.000 0.628 191 A CB -0.353 18.726 19.000 0.131 0.000 0.814 191 A HN 0.249 nan 8.150 nan 0.000 0.444 192 K N 0.590 120.903 120.400 -0.146 0.000 2.025 192 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 192 K C 1.714 178.206 176.600 -0.180 0.000 1.049 192 K CA 1.772 57.974 56.287 -0.142 0.000 0.933 192 K CB -0.311 32.149 32.500 -0.066 0.000 0.714 192 K HN 0.464 nan 8.250 nan 0.000 0.438 193 N N 0.880 119.492 118.700 -0.146 0.000 2.188 193 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 193 N C 1.512 176.902 175.510 -0.199 0.000 1.018 193 N CA 1.228 54.202 53.050 -0.126 0.000 0.858 193 N CB -0.075 38.368 38.487 -0.074 0.000 0.989 193 N HN 0.405 nan 8.380 nan 0.000 0.426 194 E N 0.578 120.592 120.200 -0.310 0.000 2.072 194 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 194 E C 1.932 178.029 176.600 -0.838 0.000 0.985 194 E CA 0.638 56.770 56.400 -0.447 0.000 0.801 194 E CB -0.073 29.408 29.700 -0.365 0.000 0.750 194 E HN 0.305 nan 8.360 nan 0.000 0.452 195 M N 0.988 119.948 119.600 -1.066 0.000 2.175 195 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 195 M C 1.537 177.712 176.300 -0.207 0.000 1.063 195 M CA 1.225 56.004 55.300 -0.869 0.000 1.119 195 M CB 0.077 32.376 32.600 -0.502 0.000 1.377 195 M HN -0.020 nan 8.290 nan 0.000 0.415 196 N N 1.126 119.748 118.700 -0.129 0.000 2.058 196 N HA -0.107 4.633 4.740 -0.000 0.000 0.191 196 N C 1.740 177.265 175.510 0.025 0.000 1.037 196 N CA 1.895 54.953 53.050 0.014 0.000 0.848 196 N CB -0.679 37.792 38.487 -0.027 0.000 1.021 196 N HN 0.462 nan 8.380 nan 0.000 0.422 197 A N 0.357 123.150 122.820 -0.044 0.000 1.908 197 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 197 A C 2.202 179.787 177.584 0.002 0.000 1.181 197 A CA 1.379 53.405 52.037 -0.019 0.000 0.627 197 A CB -1.122 17.863 19.000 -0.026 0.000 0.818 197 A HN 0.445 nan 8.150 nan 0.000 0.445 198 Y N -0.709 119.509 120.300 -0.137 0.000 2.097 198 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 198 Y C 2.046 177.897 175.900 -0.082 0.000 1.152 198 Y CA 2.153 60.184 58.100 -0.115 0.000 1.136 198 Y CB -0.597 37.749 38.460 -0.190 0.000 0.975 198 Y HN 0.291 nan 8.280 nan 0.000 0.498 199 F N -0.651 119.326 119.950 0.045 0.000 2.216 199 F HA -0.240 4.287 4.527 -0.000 0.000 0.300 199 F C 2.957 178.701 175.800 -0.094 0.000 1.085 199 F CA 1.397 59.384 58.000 -0.023 0.000 1.326 199 F CB -0.597 38.441 39.000 0.063 0.000 1.027 199 F HN 0.156 nan 8.300 nan 0.000 0.497 200 S N -0.164 115.598 115.700 0.104 0.000 2.370 200 S HA -0.261 4.209 4.470 -0.000 0.000 0.226 200 S C 1.847 176.433 174.600 -0.024 0.000 1.033 200 S CA 2.061 60.280 58.200 0.032 0.000 1.011 200 S CB -0.427 62.781 63.200 0.014 0.000 0.852 200 S HN 0.401 nan 8.310 nan 0.000 0.457 201 D N 0.179 120.526 120.400 -0.089 0.000 2.123 201 D HA -0.024 4.616 4.640 -0.000 0.000 0.200 201 D C 1.899 178.103 176.300 -0.159 0.000 0.976 201 D CA 0.851 54.776 54.000 -0.125 0.000 0.831 201 D CB -0.348 40.359 40.800 -0.156 0.000 0.974 201 D HN 0.366 nan 8.370 nan 0.000 0.469 202 L N 0.366 121.426 121.223 -0.271 0.000 2.056 202 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 202 L C 2.049 178.891 176.870 -0.046 0.000 1.078 202 L CA 1.421 56.135 54.840 -0.210 0.000 0.749 202 L CB -0.449 41.420 42.059 -0.317 0.000 0.901 202 L HN 0.139 nan 8.230 nan 0.000 0.433 203 I N -0.840 119.738 120.570 0.014 0.000 2.202 203 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 203 I C 2.473 178.591 176.117 0.002 0.000 1.091 203 I CA 1.235 62.554 61.300 0.033 0.000 1.368 203 I CB -1.143 36.885 38.000 0.048 0.000 1.058 203 I HN 0.388 nan 8.210 nan 0.000 0.410 204 G N 1.450 110.244 108.800 -0.010 0.000 2.433 204 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 204 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 204 G C 1.585 176.475 174.900 -0.017 0.000 1.186 204 G CA 1.040 46.132 45.100 -0.014 0.000 0.779 204 G HN 0.281 nan 8.290 nan 0.000 0.543 205 L N 0.945 122.150 121.223 -0.029 0.000 1.924 205 L HA 0.086 4.426 4.340 -0.000 0.000 0.222 205 L C 1.773 178.633 176.870 -0.017 0.000 1.081 205 L CA 1.773 56.596 54.840 -0.028 0.000 0.780 205 L CB -1.112 40.920 42.059 -0.045 0.000 0.891 205 L HN 0.237 nan 8.230 nan 0.000 0.434 206 R N -0.193 120.298 120.500 -0.016 0.000 3.016 206 R HA -0.033 4.307 4.340 -0.000 0.000 0.285 206 R C 1.067 177.368 176.300 0.001 0.000 1.041 206 R CA 1.031 57.130 56.100 -0.003 0.000 1.196 206 R CB 0.033 30.338 30.300 0.007 0.000 1.160 206 R HN 0.601 nan 8.270 nan 0.000 0.530 207 S N 0.009 115.712 115.700 0.004 0.000 3.256 207 S HA -0.186 4.284 4.470 -0.000 0.000 0.386 207 S C -0.278 174.321 174.600 -0.001 0.000 1.056 207 S CA 1.378 59.580 58.200 0.003 0.000 1.087 207 S CB -1.043 62.160 63.200 0.006 0.000 0.890 207 S HN 0.617 nan 8.310 nan 0.000 0.496 208 D N 0.360 120.759 120.400 -0.002 0.000 2.344 208 D HA 0.352 4.992 4.640 -0.000 0.000 0.242 208 D C 0.774 177.072 176.300 -0.003 0.000 1.159 208 D CA 0.419 54.417 54.000 -0.004 0.000 0.859 208 D CB 0.281 41.079 40.800 -0.005 0.000 0.925 208 D HN 0.350 nan 8.370 nan 0.000 0.510 209 S N -1.437 114.262 115.700 -0.002 0.000 3.576 209 S HA 0.743 5.213 4.470 -0.000 0.000 0.321 209 S C -0.864 173.735 174.600 -0.001 0.000 1.174 209 S CA -0.249 57.950 58.200 -0.002 0.000 1.102 209 S CB 0.140 63.339 63.200 -0.001 0.000 1.467 209 S HN 0.017 nan 8.310 nan 0.000 0.701 210 A N -0.223 122.596 122.820 -0.001 0.000 2.267 210 A HA 0.793 5.113 4.320 -0.000 0.000 0.271 210 A C 0.680 178.264 177.584 -0.001 0.000 1.131 210 A CA 0.308 52.344 52.037 -0.002 0.000 0.818 210 A CB -0.657 18.342 19.000 -0.002 0.000 1.118 210 A HN 2.119 nan 8.150 nan 0.000 0.501 211 G N -1.446 107.352 108.800 -0.003 0.000 2.535 211 G HA2 0.301 4.261 3.960 -0.000 0.000 0.662 211 G HA3 0.301 4.261 3.960 -0.000 0.000 0.662 211 G C -0.502 174.392 174.900 -0.010 0.000 1.417 211 G CA 0.147 45.245 45.100 -0.004 0.000 0.866 211 G HN 0.743 nan 8.290 nan 0.000 0.647 212 E N 0.386 120.576 120.200 -0.016 0.000 2.340 212 E HA 0.103 4.453 4.350 -0.000 0.000 0.194 212 E C 1.083 177.657 176.600 -0.044 0.000 0.996 212 E CA 0.593 56.975 56.400 -0.030 0.000 0.869 212 E CB 0.073 29.753 29.700 -0.033 0.000 0.835 212 E HN 0.804 nan 8.360 nan 0.000 0.493 213 D N 1.114 121.495 120.400 -0.033 0.000 2.382 213 D HA -0.051 4.588 4.640 -0.000 0.000 0.240 213 D C 1.294 177.576 176.300 -0.030 0.000 1.146 213 D CA -0.204 53.773 54.000 -0.038 0.000 0.897 213 D CB 1.766 42.563 40.800 -0.004 0.000 1.197 213 D HN -0.146 nan 8.370 nan 0.000 0.432 214 V N 1.805 121.692 119.914 -0.044 0.000 2.332 214 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 214 V C 2.786 178.893 176.094 0.021 0.000 1.055 214 V CA 2.786 65.080 62.300 -0.010 0.000 1.038 214 V CB -1.336 30.497 31.823 0.017 0.000 0.651 214 V HN 0.865 nan 8.190 nan 0.000 0.450 215 T N -2.811 111.775 114.554 0.054 0.000 2.881 215 T HA -0.166 4.184 4.350 -0.000 0.000 0.270 215 T C 1.933 176.660 174.700 0.046 0.000 1.068 215 T CA 1.681 63.827 62.100 0.078 0.000 1.131 215 T CB -0.380 68.593 68.868 0.174 0.000 0.871 215 T HN 0.396 nan 8.240 nan 0.000 0.479 216 S N 1.342 117.061 115.700 0.031 0.000 2.371 216 S HA 0.198 4.668 4.470 -0.000 0.000 0.224 216 S C 1.941 176.545 174.600 0.007 0.000 1.029 216 S CA 0.755 58.965 58.200 0.016 0.000 0.978 216 S CB -0.441 62.765 63.200 0.009 0.000 0.833 216 S HN 0.434 nan 8.310 nan 0.000 0.466 217 L N 1.017 122.242 121.223 0.002 0.000 2.056 217 L HA -0.080 4.259 4.340 -0.000 0.000 0.207 217 L C 2.220 179.089 176.870 -0.002 0.000 1.078 217 L CA 0.988 55.827 54.840 -0.001 0.000 0.749 217 L CB -0.589 41.470 42.059 -0.001 0.000 0.901 217 L HN 0.284 nan 8.230 nan 0.000 0.433 218 L N -0.404 120.818 121.223 -0.001 0.000 2.017 218 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 218 L C 2.683 179.549 176.870 -0.007 0.000 1.073 218 L CA 1.479 56.313 54.840 -0.011 0.000 0.745 218 L CB -1.099 40.947 42.059 -0.022 0.000 0.894 218 L HN 0.309 nan 8.230 nan 0.000 0.432 219 G N -0.679 108.122 108.800 0.003 0.000 2.432 219 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 219 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 219 G C 1.724 176.623 174.900 -0.002 0.000 1.135 219 G CA 0.787 45.889 45.100 0.002 0.000 0.767 219 G HN 0.474 nan 8.290 nan 0.000 0.550 220 A N 1.012 123.830 122.820 -0.003 0.000 1.929 220 A HA 0.383 4.703 4.320 -0.000 0.000 0.216 220 A C 2.773 180.353 177.584 -0.007 0.000 1.176 220 A CA 1.956 53.991 52.037 -0.004 0.000 0.628 220 A CB -0.613 18.385 19.000 -0.004 0.000 0.816 220 A HN 0.669 nan 8.150 nan 0.000 0.444 221 A N -0.123 122.691 122.820 -0.009 0.000 1.898 221 A HA 0.024 4.343 4.320 -0.000 0.000 0.216 221 A C 2.350 179.926 177.584 -0.013 0.000 1.181 221 A CA 1.927 53.956 52.037 -0.013 0.000 0.620 221 A CB -1.125 17.865 19.000 -0.018 0.000 0.819 221 A HN 1.186 nan 8.150 nan 0.000 0.442 222 V N -0.983 118.924 119.914 -0.012 0.000 2.548 222 V HA 0.019 4.139 4.120 -0.000 0.000 0.249 222 V C 2.177 178.265 176.094 -0.009 0.000 1.055 222 V CA 2.229 64.522 62.300 -0.012 0.000 1.065 222 V CB -1.279 30.537 31.823 -0.011 0.000 0.681 222 V HN 0.405 nan 8.190 nan 0.000 0.462 223 G N 0.291 109.086 108.800 -0.008 0.000 2.432 223 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 223 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 223 G C 1.713 176.610 174.900 -0.007 0.000 1.135 223 G CA 0.737 45.833 45.100 -0.007 0.000 0.767 223 G HN 0.573 nan 8.290 nan 0.000 0.550 224 R N 0.043 120.539 120.500 -0.007 0.000 2.359 224 R HA 0.143 4.483 4.340 -0.000 0.000 0.231 224 R C 0.112 176.408 176.300 -0.008 0.000 0.913 224 R CA 0.244 56.340 56.100 -0.007 0.000 1.075 224 R CB 0.323 30.619 30.300 -0.007 0.000 1.087 224 R HN 0.154 nan 8.270 nan 0.000 0.515 225 D N 0.735 121.130 120.400 -0.009 0.000 2.870 225 D HA -0.189 4.451 4.640 -0.000 0.000 0.228 225 D C 0.171 176.465 176.300 -0.010 0.000 1.147 225 D CA 1.012 55.007 54.000 -0.009 0.000 0.757 225 D CB -0.699 40.096 40.800 -0.007 0.000 1.091 225 D HN 0.517 nan 8.370 nan 0.000 0.429 226 E N -0.233 119.959 120.200 -0.013 0.000 2.230 226 E HA 0.044 4.394 4.350 -0.000 0.000 0.192 226 E C 1.440 178.029 176.600 -0.019 0.000 0.987 226 E CA 0.738 57.129 56.400 -0.015 0.000 0.841 226 E CB 0.440 30.130 29.700 -0.017 0.000 0.783 226 E HN 0.632 nan 8.360 nan 0.000 0.481 227 I N -2.496 118.063 120.570 -0.019 0.000 3.006 227 I HA 0.352 4.522 4.170 -0.000 0.000 0.306 227 I C -0.174 175.932 176.117 -0.018 0.000 1.250 227 I CA -1.248 60.039 61.300 -0.022 0.000 0.996 227 I CB 2.185 40.166 38.000 -0.032 0.000 1.261 227 I HN -0.239 nan 8.210 nan 0.000 0.442 228 T N 0.590 115.134 114.554 -0.017 0.000 2.847 228 T HA 0.298 4.648 4.350 -0.000 0.000 0.279 228 T C 0.807 175.497 174.700 -0.017 0.000 0.984 228 T CA -0.600 61.491 62.100 -0.015 0.000 0.988 228 T CB 1.632 70.493 68.868 -0.012 0.000 1.040 228 T HN 0.720 nan 8.240 nan 0.000 0.528 229 L N 1.101 122.316 121.223 -0.013 0.000 2.046 229 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 229 L C 2.775 179.636 176.870 -0.014 0.000 1.077 229 L CA 2.137 56.970 54.840 -0.012 0.000 0.747 229 L CB -1.318 40.736 42.059 -0.008 0.000 0.896 229 L HN 0.898 nan 8.230 nan 0.000 0.432 230 S N -0.807 114.884 115.700 -0.014 0.000 2.368 230 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 230 S C 1.897 176.484 174.600 -0.023 0.000 1.030 230 S CA 1.615 59.806 58.200 -0.016 0.000 0.999 230 S CB -0.263 62.928 63.200 -0.015 0.000 0.844 230 S HN 0.635 nan 8.310 nan 0.000 0.459 231 E N 0.500 120.686 120.200 -0.024 0.000 2.077 231 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 231 E C 2.364 178.936 176.600 -0.046 0.000 0.989 231 E CA 1.045 57.427 56.400 -0.030 0.000 0.800 231 E CB -0.281 29.402 29.700 -0.027 0.000 0.746 231 E HN 0.611 nan 8.360 nan 0.000 0.452 232 A N 0.781 123.573 122.820 -0.046 0.000 1.873 232 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 232 A C 2.493 180.023 177.584 -0.090 0.000 1.186 232 A CA 1.106 53.105 52.037 -0.063 0.000 0.616 232 A CB -0.675 18.299 19.000 -0.043 0.000 0.823 232 A HN 0.115 nan 8.150 nan 0.000 0.442 233 V N 0.095 119.974 119.914 -0.058 0.000 2.287 233 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 233 V C 2.830 178.868 176.094 -0.093 0.000 1.053 233 V CA 2.056 64.322 62.300 -0.056 0.000 1.027 233 V CB -1.511 30.316 31.823 0.007 0.000 0.646 233 V HN 0.621 nan 8.190 nan 0.000 0.447 234 G N -0.328 108.433 108.800 -0.065 0.000 2.440 234 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.218 234 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.218 234 G C 1.580 176.426 174.900 -0.089 0.000 1.154 234 G CA 1.242 46.306 45.100 -0.060 0.000 0.767 234 G HN 0.439 nan 8.290 nan 0.000 0.552 235 L N 1.269 122.427 121.223 -0.109 0.000 2.056 235 L HA 0.239 4.579 4.340 -0.000 0.000 0.207 235 L C 3.099 179.852 176.870 -0.196 0.000 1.078 235 L CA 1.992 56.753 54.840 -0.132 0.000 0.749 235 L CB -0.768 41.215 42.059 -0.128 0.000 0.901 235 L HN 0.238 nan 8.230 nan 0.000 0.433 236 A N -1.001 121.643 122.820 -0.295 0.000 1.883 236 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 236 A C 2.264 179.505 177.584 -0.572 0.000 1.186 236 A CA 2.278 53.976 52.037 -0.564 0.000 0.624 236 A CB -1.188 17.234 19.000 -0.964 0.000 0.822 236 A HN 0.308 nan 8.150 nan 0.000 0.444 237 V N 0.068 119.759 119.914 -0.370 0.000 2.343 237 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 237 V C 2.561 178.623 176.094 -0.053 0.000 1.051 237 V CA 1.880 64.114 62.300 -0.110 0.000 1.036 237 V CB -0.760 31.057 31.823 -0.009 0.000 0.654 237 V HN 0.566 nan 8.190 nan 0.000 0.451 238 L N -0.746 120.433 121.223 -0.073 0.000 2.046 238 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 238 L C 2.399 179.240 176.870 -0.048 0.000 1.077 238 L CA 1.542 56.356 54.840 -0.042 0.000 0.747 238 L CB -0.507 41.525 42.059 -0.045 0.000 0.896 238 L HN 0.317 nan 8.230 nan 0.000 0.432 239 L N -0.860 120.312 121.223 -0.084 0.000 2.056 239 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 239 L C 2.638 179.517 176.870 0.016 0.000 1.078 239 L CA 0.857 55.667 54.840 -0.051 0.000 0.749 239 L CB -0.454 41.588 42.059 -0.028 0.000 0.901 239 L HN 0.257 nan 8.230 nan 0.000 0.433 240 Q N 1.161 120.970 119.800 0.016 0.000 2.124 240 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 240 Q C 1.828 177.875 176.000 0.078 0.000 0.977 240 Q CA 1.733 57.596 55.803 0.100 0.000 0.850 240 Q CB -0.157 28.730 28.738 0.249 0.000 0.901 240 Q HN 0.734 nan 8.270 nan 0.000 0.429 241 I N -4.408 116.198 120.570 0.060 0.000 3.956 241 I HA 0.452 4.622 4.170 -0.000 0.000 0.333 241 I C 1.426 177.568 176.117 0.042 0.000 1.302 241 I CA 0.494 61.825 61.300 0.053 0.000 1.122 241 I CB -0.022 38.012 38.000 0.057 0.000 1.013 241 I HN 0.090 nan 8.210 nan 0.000 0.405 242 G N 1.396 110.216 108.800 0.033 0.000 2.679 242 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.212 242 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.212 242 G C 1.458 176.390 174.900 0.054 0.000 1.137 242 G CA 0.514 45.636 45.100 0.037 0.000 0.787 242 G HN 0.528 nan 8.290 nan 0.000 0.534 243 G N 0.689 109.516 108.800 0.046 0.000 2.470 243 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.220 243 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.220 243 G C 1.453 176.398 174.900 0.075 0.000 1.121 243 G CA 0.975 46.105 45.100 0.050 0.000 0.766 243 G HN 0.467 nan 8.290 nan 0.000 0.553 244 E N 1.173 121.415 120.200 0.071 0.000 2.219 244 E HA -0.056 4.294 4.350 -0.000 0.000 0.198 244 E C 2.561 179.223 176.600 0.104 0.000 0.998 244 E CA 1.292 57.737 56.400 0.075 0.000 0.818 244 E CB -0.454 29.280 29.700 0.056 0.000 0.741 244 E HN 0.322 nan 8.360 nan 0.000 0.477 245 A N -0.333 122.569 122.820 0.137 0.000 1.930 245 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 245 A C 2.426 180.161 177.584 0.252 0.000 1.175 245 A CA 1.493 53.672 52.037 0.237 0.000 0.627 245 A CB -0.482 18.680 19.000 0.271 0.000 0.815 245 A HN 0.197 nan 8.150 nan 0.000 0.443 246 V N -0.463 119.560 119.914 0.182 0.000 2.453 246 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 246 V C 2.692 178.893 176.094 0.179 0.000 1.048 246 V CA 2.283 64.692 62.300 0.181 0.000 1.049 246 V CB -1.194 30.724 31.823 0.157 0.000 0.672 246 V HN 0.581 nan 8.190 nan 0.000 0.457 247 T N 0.444 115.089 114.554 0.152 0.000 2.684 247 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 247 T C 1.713 176.483 174.700 0.117 0.000 1.036 247 T CA 2.253 64.436 62.100 0.138 0.000 1.148 247 T CB -0.491 68.439 68.868 0.103 0.000 0.863 247 T HN 0.608 nan 8.240 nan 0.000 0.436 248 N N 0.921 119.680 118.700 0.098 0.000 2.084 248 N HA -0.098 4.642 4.740 -0.000 0.000 0.190 248 N C 2.064 177.639 175.510 0.108 0.000 1.030 248 N CA 0.836 53.920 53.050 0.056 0.000 0.849 248 N CB -0.137 38.359 38.487 0.016 0.000 1.012 248 N HN 0.269 nan 8.380 nan 0.000 0.423 249 N N 1.152 119.970 118.700 0.196 0.000 2.106 249 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 249 N C 1.673 177.273 175.510 0.151 0.000 1.029 249 N CA 1.541 54.723 53.050 0.220 0.000 0.848 249 N CB -0.047 38.581 38.487 0.235 0.000 1.007 249 N HN 0.215 nan 8.380 nan 0.000 0.423 250 S N -0.592 115.200 115.700 0.153 0.000 2.423 250 S HA -0.004 4.465 4.470 -0.000 0.000 0.231 250 S C 2.138 176.864 174.600 0.210 0.000 1.014 250 S CA 1.140 59.420 58.200 0.133 0.000 0.965 250 S CB -0.802 62.540 63.200 0.236 0.000 0.785 250 S HN 0.369 nan 8.310 nan 0.000 0.495 251 G N 1.234 110.156 108.800 0.203 0.000 2.422 251 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 251 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 251 G C 1.577 176.595 174.900 0.198 0.000 1.146 251 G CA 0.662 45.874 45.100 0.187 0.000 0.769 251 G HN 0.603 nan 8.290 nan 0.000 0.547 252 Q N -0.489 119.420 119.800 0.181 0.000 2.123 252 Q HA 0.053 4.393 4.340 -0.000 0.000 0.199 252 Q C 2.697 178.854 176.000 0.262 0.000 0.966 252 Q CA 0.875 56.854 55.803 0.292 0.000 0.845 252 Q CB -0.216 28.703 28.738 0.302 0.000 0.907 252 Q HN 0.483 nan 8.270 nan 0.000 0.439 253 M N -0.298 119.367 119.600 0.108 0.000 2.065 253 M HA -0.180 4.300 4.480 -0.000 0.000 0.259 253 M C 1.803 178.039 176.300 -0.106 0.000 1.069 253 M CA 1.779 57.040 55.300 -0.066 0.000 1.110 253 M CB -0.375 32.038 32.600 -0.311 0.000 1.328 253 M HN 0.149 nan 8.290 nan 0.000 0.405 254 F N -1.186 118.849 119.950 0.143 0.000 2.259 254 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 254 F C 2.637 178.528 175.800 0.151 0.000 1.088 254 F CA 1.178 59.249 58.000 0.118 0.000 1.358 254 F CB -0.608 38.445 39.000 0.089 0.000 1.040 254 F HN 0.313 nan 8.300 nan 0.000 0.505 255 H N 0.581 119.816 119.070 0.275 0.000 2.387 255 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 255 H C 2.176 177.622 175.328 0.197 0.000 1.090 255 H CA 1.576 57.777 56.048 0.256 0.000 1.332 255 H CB -0.157 29.819 29.762 0.357 0.000 1.386 255 H HN 0.285 nan 8.280 nan 0.000 0.516 256 L N 0.277 121.612 121.223 0.186 0.000 2.044 256 L HA -0.159 4.180 4.340 -0.000 0.000 0.205 256 L C 2.834 179.710 176.870 0.009 0.000 1.075 256 L CA 0.603 55.479 54.840 0.060 0.000 0.747 256 L CB -0.273 41.824 42.059 0.064 0.000 0.903 256 L HN 0.234 nan 8.230 nan 0.000 0.435 257 L N -0.600 120.657 121.223 0.058 0.000 2.191 257 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 257 L C 2.265 179.181 176.870 0.077 0.000 1.103 257 L CA 1.000 55.886 54.840 0.078 0.000 0.769 257 L CB -0.245 41.881 42.059 0.111 0.000 0.908 257 L HN 0.312 nan 8.230 nan 0.000 0.438 258 L N -1.376 119.891 121.223 0.075 0.000 2.253 258 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 258 L C 2.708 179.566 176.870 -0.021 0.000 1.078 258 L CA 0.898 55.767 54.840 0.047 0.000 0.805 258 L CB -0.336 41.770 42.059 0.078 0.000 0.963 258 L HN 0.278 nan 8.230 nan 0.000 0.459 259 S N -0.144 115.497 115.700 -0.098 0.000 2.436 259 S HA -0.034 4.436 4.470 -0.000 0.000 0.228 259 S C 1.236 175.791 174.600 -0.076 0.000 1.014 259 S CA 0.221 58.343 58.200 -0.130 0.000 0.950 259 S CB -0.113 62.921 63.200 -0.277 0.000 0.784 259 S HN 0.337 nan 8.310 nan 0.000 0.504 260 R N 1.543 122.003 120.500 -0.067 0.000 2.664 260 R HA 0.334 4.674 4.340 -0.000 0.000 0.281 260 R C -2.434 173.841 176.300 -0.042 0.000 1.383 260 R CA -2.075 53.985 56.100 -0.067 0.000 1.563 260 R CB 0.815 31.051 30.300 -0.107 0.000 1.131 260 R HN 0.217 nan 8.270 nan 0.000 0.599 261 P HA -0.319 nan 4.420 nan 0.000 0.218 261 P C 1.281 178.579 177.300 -0.003 0.000 1.154 261 P CA 1.400 64.499 63.100 -0.002 0.000 0.872 261 P CB 0.259 31.959 31.700 -0.001 0.000 0.790 262 E N 0.081 120.263 120.200 -0.030 0.000 2.204 262 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 262 E C 1.913 178.489 176.600 -0.039 0.000 0.990 262 E CA 1.226 57.602 56.400 -0.041 0.000 0.821 262 E CB -1.306 28.349 29.700 -0.075 0.000 0.750 262 E HN 0.294 nan 8.360 nan 0.000 0.477 263 L N 0.756 121.952 121.223 -0.045 0.000 2.044 263 L HA -0.056 4.283 4.340 -0.000 0.000 0.205 263 L C 2.886 179.864 176.870 0.179 0.000 1.075 263 L CA 1.217 56.070 54.840 0.021 0.000 0.747 263 L CB -0.651 41.414 42.059 0.010 0.000 0.903 263 L HN 0.169 nan 8.230 nan 0.000 0.435 264 A N 0.181 123.068 122.820 0.112 0.000 1.902 264 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 264 A C 2.128 179.769 177.584 0.095 0.000 1.181 264 A CA 1.680 53.784 52.037 0.111 0.000 0.623 264 A CB -0.490 18.565 19.000 0.092 0.000 0.818 264 A HN 0.463 nan 8.150 nan 0.000 0.443 265 E N -0.946 119.296 120.200 0.069 0.000 2.160 265 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 265 E C 2.233 178.874 176.600 0.068 0.000 0.991 265 E CA 1.296 57.729 56.400 0.055 0.000 0.810 265 E CB -0.129 29.590 29.700 0.033 0.000 0.742 265 E HN 0.469 nan 8.360 nan 0.000 0.466 266 R N 1.217 121.777 120.500 0.099 0.000 2.075 266 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 266 R C 1.972 178.353 176.300 0.135 0.000 1.126 266 R CA 1.148 57.326 56.100 0.129 0.000 0.963 266 R CB -0.408 30.007 30.300 0.192 0.000 0.858 266 R HN 0.171 nan 8.270 nan 0.000 0.435 267 L N -0.085 121.222 121.223 0.140 0.000 2.291 267 L HA -0.002 4.338 4.340 -0.000 0.000 0.214 267 L C 2.303 179.198 176.870 0.042 0.000 1.120 267 L CA 0.981 55.856 54.840 0.059 0.000 0.799 267 L CB -0.293 41.776 42.059 0.016 0.000 0.925 267 L HN 0.176 nan 8.230 nan 0.000 0.446 268 R N -1.012 119.519 120.500 0.052 0.000 2.112 268 R HA -0.028 4.312 4.340 -0.000 0.000 0.216 268 R C 2.513 178.833 176.300 0.033 0.000 1.080 268 R CA 1.068 57.191 56.100 0.038 0.000 0.996 268 R CB -0.129 30.195 30.300 0.039 0.000 0.902 268 R HN 0.149 nan 8.270 nan 0.000 0.449 269 S N 0.571 116.295 115.700 0.040 0.000 2.406 269 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 269 S C 0.838 175.458 174.600 0.032 0.000 1.020 269 S CA 0.849 59.070 58.200 0.034 0.000 0.965 269 S CB 0.243 63.465 63.200 0.036 0.000 0.798 269 S HN 0.279 nan 8.310 nan 0.000 0.488 270 E N 0.393 120.617 120.200 0.039 0.000 3.132 270 E HA 0.302 4.652 4.350 -0.000 0.000 0.241 270 E C -2.400 174.214 176.600 0.023 0.000 1.196 270 E CA -1.925 54.495 56.400 0.033 0.000 0.869 270 E CB 1.138 30.865 29.700 0.045 0.000 1.387 270 E HN 0.178 nan 8.360 nan 0.000 0.393 271 P HA -0.189 nan 4.420 nan 0.000 0.218 271 P C 1.001 178.299 177.300 -0.005 0.000 1.146 271 P CA 0.710 63.811 63.100 0.002 0.000 0.813 271 P CB 0.309 32.012 31.700 0.005 0.000 0.778 272 E N -0.734 119.468 120.200 0.004 0.000 2.333 272 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 272 E C 1.588 178.188 176.600 -0.001 0.000 1.007 272 E CA 0.679 57.081 56.400 0.004 0.000 0.845 272 E CB -0.381 29.326 29.700 0.011 0.000 0.766 272 E HN 0.305 nan 8.360 nan 0.000 0.507 273 I N 0.031 120.597 120.570 -0.007 0.000 3.883 273 I HA -0.046 4.124 4.170 -0.000 0.000 0.326 273 I C 1.891 177.952 176.117 -0.094 0.000 1.283 273 I CA 0.002 61.290 61.300 -0.020 0.000 1.161 273 I CB 0.088 38.102 38.000 0.022 0.000 1.012 273 I HN -0.047 nan 8.210 nan 0.000 0.421 274 R N 1.190 121.632 120.500 -0.096 0.000 2.096 274 R HA -0.171 4.169 4.340 -0.000 0.000 0.240 274 R C -0.583 175.639 176.300 -0.130 0.000 1.139 274 R CA 1.804 57.816 56.100 -0.146 0.000 0.952 274 R CB -1.715 28.534 30.300 -0.084 0.000 0.854 274 R HN 0.357 nan 8.270 nan 0.000 0.436 275 P HA -0.137 nan 4.420 nan 0.000 0.215 275 P C 0.800 178.085 177.300 -0.025 0.000 1.157 275 P CA 1.392 64.477 63.100 -0.025 0.000 0.868 275 P CB 0.005 31.708 31.700 0.005 0.000 0.788 276 R N -0.684 119.798 120.500 -0.030 0.000 2.092 276 R HA 0.019 4.359 4.340 -0.000 0.000 0.231 276 R C 2.263 178.526 176.300 -0.062 0.000 1.119 276 R CA 1.309 57.408 56.100 -0.001 0.000 0.970 276 R CB -0.882 29.435 30.300 0.029 0.000 0.864 276 R HN 0.136 nan 8.270 nan 0.000 0.440 277 A N 1.170 123.841 122.820 -0.248 0.000 1.930 277 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 277 A C 2.097 179.426 177.584 -0.425 0.000 1.175 277 A CA 1.102 52.743 52.037 -0.660 0.000 0.627 277 A CB -0.398 17.778 19.000 -1.374 0.000 0.815 277 A HN 0.170 nan 8.150 nan 0.000 0.443 278 I N -0.327 120.089 120.570 -0.257 0.000 2.226 278 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 278 I C 1.927 178.017 176.117 -0.044 0.000 1.100 278 I CA 1.443 62.661 61.300 -0.136 0.000 1.374 278 I CB -0.322 37.637 38.000 -0.069 0.000 1.057 278 I HN 0.282 nan 8.210 nan 0.000 0.413 279 D N 0.344 120.757 120.400 0.022 0.000 2.144 279 D HA -0.210 4.430 4.640 -0.000 0.000 0.200 279 D C 2.021 178.341 176.300 0.034 0.000 0.978 279 D CA 1.162 55.228 54.000 0.109 0.000 0.833 279 D CB 0.025 40.964 40.800 0.231 0.000 0.961 279 D HN 0.294 nan 8.370 nan 0.000 0.470 280 E N 0.753 120.992 120.200 0.065 0.000 2.072 280 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 280 E C 2.286 178.937 176.600 0.085 0.000 0.985 280 E CA 0.653 57.121 56.400 0.112 0.000 0.801 280 E CB -0.350 29.492 29.700 0.237 0.000 0.750 280 E HN 0.239 nan 8.360 nan 0.000 0.452 281 L N -0.043 121.217 121.223 0.061 0.000 2.083 281 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 281 L C 2.511 179.397 176.870 0.025 0.000 1.083 281 L CA 0.870 55.759 54.840 0.081 0.000 0.752 281 L CB -0.401 41.670 42.059 0.020 0.000 0.899 281 L HN 0.224 nan 8.230 nan 0.000 0.433 282 L N -0.526 120.622 121.223 -0.125 0.000 2.083 282 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 282 L C 2.863 179.466 176.870 -0.446 0.000 1.083 282 L CA 1.132 55.783 54.840 -0.315 0.000 0.752 282 L CB -0.469 41.313 42.059 -0.461 0.000 0.899 282 L HN 0.264 nan 8.230 nan 0.000 0.433 283 R N -0.580 119.640 120.500 -0.467 0.000 2.073 283 R HA -0.246 4.094 4.340 -0.000 0.000 0.234 283 R C 2.269 178.493 176.300 -0.127 0.000 1.134 283 R CA 2.102 57.977 56.100 -0.375 0.000 0.952 283 R CB -0.488 29.667 30.300 -0.241 0.000 0.850 283 R HN 0.380 nan 8.270 nan 0.000 0.433 284 W N 1.290 122.489 121.300 -0.168 0.000 2.407 284 W HA 0.087 4.746 4.660 -0.000 0.000 0.305 284 W C 0.216 176.738 176.519 0.005 0.000 1.196 284 W CA 0.498 57.803 57.345 -0.068 0.000 1.311 284 W CB -0.037 29.405 29.460 -0.030 0.000 1.135 284 W HN -0.072 nan 8.180 nan 0.000 0.514 285 I N 3.475 124.223 120.570 0.296 0.000 2.821 285 I HA -0.100 4.070 4.170 -0.000 0.000 0.294 285 I C -1.902 174.218 176.117 0.004 0.000 1.210 285 I CA -0.981 60.432 61.300 0.188 0.000 1.430 285 I CB 0.161 38.292 38.000 0.219 0.000 1.356 285 I HN -0.186 nan 8.210 nan 0.000 0.563 286 P HA 0.039 nan 4.420 nan 0.000 0.268 286 P C 0.442 177.752 177.300 0.017 0.000 1.541 286 P CA 0.029 63.076 63.100 -0.088 0.000 1.093 286 P CB 0.168 31.747 31.700 -0.202 0.000 1.551 287 H N 4.259 123.303 119.070 -0.044 0.000 2.387 287 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 287 H C 0.760 176.082 175.328 -0.010 0.000 1.090 287 H CA 1.118 57.158 56.048 -0.013 0.000 1.332 287 H CB 0.670 30.421 29.762 -0.019 0.000 1.386 287 H HN 0.315 nan 8.280 nan 0.000 0.516 288 R N -0.114 120.344 120.500 -0.071 0.000 2.905 288 R HA 0.305 4.645 4.340 -0.000 0.000 0.260 288 R C -1.064 175.154 176.300 -0.137 0.000 1.086 288 R CA -0.935 55.082 56.100 -0.138 0.000 0.978 288 R CB 0.874 31.128 30.300 -0.077 0.000 1.215 288 R HN -0.091 nan 8.270 nan 0.000 0.480 289 N N 0.289 118.892 118.700 -0.163 0.000 2.479 289 N HA 0.369 5.109 4.740 -0.000 0.000 0.285 289 N C 0.130 175.450 175.510 -0.317 0.000 1.075 289 N CA 0.887 53.813 53.050 -0.206 0.000 0.967 289 N CB 1.577 39.948 38.487 -0.195 0.000 1.137 289 N HN 0.934 nan 8.380 nan 0.000 0.472 290 A N 1.231 123.801 122.820 -0.416 0.000 5.481 290 A HA -0.286 4.034 4.320 -0.000 0.000 0.318 290 A C 0.147 177.427 177.584 -0.506 0.000 1.837 290 A CA 1.715 53.226 52.037 -0.876 0.000 0.717 290 A CB -1.892 16.203 19.000 -1.509 0.000 1.349 290 A HN 0.900 nan 8.150 nan 0.000 0.388 291 V N -3.084 116.456 119.914 -0.623 0.000 3.046 291 V HA 0.844 4.964 4.120 -0.000 0.000 0.316 291 V C 1.046 176.974 176.094 -0.277 0.000 1.104 291 V CA 0.392 62.479 62.300 -0.356 0.000 1.006 291 V CB 1.120 32.686 31.823 -0.428 0.000 1.058 291 V HN 2.101 nan 8.190 nan 0.000 0.440 292 G N 0.758 109.535 108.800 -0.039 0.000 2.651 292 G HA2 0.368 4.328 3.960 -0.000 0.000 0.226 292 G HA3 0.368 4.328 3.960 -0.000 0.000 0.226 292 G C -0.275 174.747 174.900 0.204 0.000 1.542 292 G CA 0.156 45.284 45.100 0.045 0.000 0.868 292 G HN 0.677 nan 8.290 nan 0.000 0.588 293 L N 2.061 123.366 121.223 0.137 0.000 2.325 293 L HA 0.588 4.928 4.340 -0.000 0.000 0.281 293 L C 0.603 177.366 176.870 -0.177 0.000 1.004 293 L CA -0.745 54.082 54.840 -0.021 0.000 0.823 293 L CB 1.674 43.593 42.059 -0.233 0.000 1.236 293 L HN 0.413 nan 8.230 nan 0.000 0.415 294 S N 4.986 120.374 115.700 -0.520 0.000 2.640 294 S HA 0.683 5.153 4.470 -0.000 0.000 0.262 294 S C -0.007 174.358 174.600 -0.391 0.000 1.232 294 S CA -0.587 57.153 58.200 -0.766 0.000 0.988 294 S CB 0.789 63.196 63.200 -1.322 0.000 1.034 294 S HN 0.665 nan 8.310 nan 0.000 0.569 295 R N -0.449 119.881 120.500 -0.284 0.000 2.621 295 R HA 0.512 4.852 4.340 -0.000 0.000 0.284 295 R C -1.199 175.108 176.300 0.011 0.000 0.998 295 R CA -0.722 55.310 56.100 -0.115 0.000 0.895 295 R CB 1.355 31.616 30.300 -0.066 0.000 1.195 295 R HN 0.493 nan 8.270 nan 0.000 0.450 296 I N 2.219 122.815 120.570 0.044 0.000 2.365 296 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 296 I C 0.697 176.888 176.117 0.123 0.000 1.004 296 I CA -0.586 60.757 61.300 0.071 0.000 1.311 296 I CB 1.294 39.300 38.000 0.011 0.000 1.401 296 I HN 0.710 nan 8.210 nan 0.000 0.491 297 A N 7.204 130.097 122.820 0.122 0.000 2.444 297 A HA 0.305 4.625 4.320 -0.000 0.000 0.273 297 A C 1.030 178.538 177.584 -0.127 0.000 1.136 297 A CA -0.178 51.797 52.037 -0.103 0.000 0.799 297 A CB -0.026 18.927 19.000 -0.077 0.000 1.081 297 A HN 0.816 nan 8.150 nan 0.000 0.509 298 L N 1.528 122.637 121.223 -0.190 0.000 2.554 298 L HA 0.122 4.462 4.340 -0.000 0.000 0.226 298 L C 0.933 177.729 176.870 -0.123 0.000 1.137 298 L CA 0.711 55.480 54.840 -0.118 0.000 0.863 298 L CB -0.497 41.504 42.059 -0.097 0.000 0.985 298 L HN 0.954 nan 8.230 nan 0.000 0.451 299 E N -2.001 118.092 120.200 -0.179 0.000 2.396 299 E HA 0.165 4.515 4.350 -0.000 0.000 0.280 299 E C -1.605 174.895 176.600 -0.167 0.000 1.065 299 E CA -0.959 55.358 56.400 -0.138 0.000 0.831 299 E CB 0.865 30.491 29.700 -0.124 0.000 1.272 299 E HN -0.171 nan 8.360 nan 0.000 0.443 300 D N 1.047 121.385 120.400 -0.103 0.000 2.493 300 D HA 0.234 4.874 4.640 -0.000 0.000 0.240 300 D C -0.322 175.904 176.300 -0.123 0.000 1.142 300 D CA 0.398 54.344 54.000 -0.089 0.000 0.872 300 D CB 1.320 42.094 40.800 -0.043 0.000 1.173 300 D HN 0.252 nan 8.370 nan 0.000 0.467 301 V N 1.964 121.802 119.914 -0.126 0.000 2.841 301 V HA 0.253 4.373 4.120 -0.000 0.000 0.310 301 V C -0.057 175.997 176.094 -0.068 0.000 1.090 301 V CA -0.894 61.345 62.300 -0.102 0.000 0.930 301 V CB 2.444 34.187 31.823 -0.133 0.000 1.014 301 V HN 0.431 nan 8.190 nan 0.000 0.425 302 E N 3.648 123.821 120.200 -0.045 0.000 2.151 302 E HA 0.589 4.939 4.350 -0.000 0.000 0.275 302 E C -1.600 174.976 176.600 -0.040 0.000 0.936 302 E CA -0.618 55.747 56.400 -0.058 0.000 0.777 302 E CB 1.301 30.975 29.700 -0.042 0.000 1.108 302 E HN 0.465 nan 8.360 nan 0.000 0.401 303 I N 4.584 125.109 120.570 -0.075 0.000 2.439 303 I HA 0.192 4.362 4.170 -0.000 0.000 0.285 303 I C -0.335 175.747 176.117 -0.059 0.000 1.021 303 I CA -0.881 60.387 61.300 -0.054 0.000 1.091 303 I CB 1.195 39.155 38.000 -0.067 0.000 1.242 303 I HN 0.652 nan 8.210 nan 0.000 0.439 304 K N 4.532 124.914 120.400 -0.031 0.000 3.257 304 K HA -0.192 4.128 4.320 -0.000 0.000 0.270 304 K C 1.008 177.593 176.600 -0.026 0.000 0.984 304 K CA 0.968 57.242 56.287 -0.022 0.000 0.739 304 K CB -1.578 30.913 32.500 -0.015 0.000 1.351 304 K HN 1.208 nan 8.250 nan 0.000 0.463 305 G N -2.234 106.549 108.800 -0.029 0.000 2.168 305 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 305 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 305 G C 0.171 175.048 174.900 -0.039 0.000 0.977 305 G CA 0.175 45.260 45.100 -0.026 0.000 0.659 305 G HN 0.435 nan 8.290 nan 0.000 0.533 306 V N 0.910 120.777 119.914 -0.079 0.000 2.435 306 V HA 0.528 4.648 4.120 -0.000 0.000 0.290 306 V C 0.824 176.797 176.094 -0.202 0.000 1.030 306 V CA -0.782 61.435 62.300 -0.138 0.000 0.881 306 V CB 1.722 33.414 31.823 -0.218 0.000 0.983 306 V HN 0.414 nan 8.190 nan 0.000 0.445 307 R N 4.556 124.965 120.500 -0.152 0.000 2.205 307 R HA 0.440 4.780 4.340 -0.000 0.000 0.342 307 R C -1.145 175.042 176.300 -0.188 0.000 1.058 307 R CA -0.572 55.456 56.100 -0.119 0.000 0.904 307 R CB 0.301 30.593 30.300 -0.013 0.000 1.089 307 R HN 0.589 nan 8.270 nan 0.000 0.471 308 I N 4.967 125.371 120.570 -0.277 0.000 2.337 308 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 308 I C 0.131 176.253 176.117 0.009 0.000 1.046 308 I CA -0.321 60.814 61.300 -0.275 0.000 1.324 308 I CB 1.134 38.931 38.000 -0.338 0.000 1.409 308 I HN 0.439 nan 8.210 nan 0.000 0.494 309 R N 4.655 125.270 120.500 0.193 0.000 2.441 309 R HA 0.632 4.972 4.340 -0.000 0.000 0.284 309 R C 0.001 176.360 176.300 0.098 0.000 1.070 309 R CA -0.577 55.608 56.100 0.142 0.000 1.047 309 R CB 0.470 30.886 30.300 0.194 0.000 1.016 309 R HN 0.734 nan 8.270 nan 0.000 0.477 310 A N 1.653 124.491 122.820 0.029 0.000 2.567 310 A HA 0.371 4.691 4.320 -0.000 0.000 0.240 310 A C 1.410 179.007 177.584 0.021 0.000 1.053 310 A CA 1.010 53.044 52.037 -0.005 0.000 0.755 310 A CB -0.746 18.239 19.000 -0.024 0.000 0.978 310 A HN 0.921 nan 8.150 nan 0.000 0.507 311 G N 2.153 110.961 108.800 0.013 0.000 2.259 311 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 311 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 311 G C -0.018 174.884 174.900 0.004 0.000 1.001 311 G CA 0.203 45.305 45.100 0.003 0.000 0.627 311 G HN 0.805 nan 8.290 nan 0.000 0.501 312 D N 1.546 121.992 120.400 0.077 0.000 2.372 312 D HA 0.562 5.202 4.640 -0.000 0.000 0.243 312 D C 0.750 177.124 176.300 0.124 0.000 1.121 312 D CA 0.895 54.955 54.000 0.100 0.000 0.898 312 D CB 1.311 42.395 40.800 0.472 0.000 1.202 312 D HN 0.746 nan 8.370 nan 0.000 0.428 313 A N 1.319 124.156 122.820 0.027 0.000 2.310 313 A HA 0.533 4.853 4.320 -0.000 0.000 0.299 313 A C -0.470 177.214 177.584 0.166 0.000 1.147 313 A CA -0.555 51.486 52.037 0.008 0.000 0.818 313 A CB 0.815 19.733 19.000 -0.137 0.000 1.096 313 A HN 0.310 nan 8.150 nan 0.000 0.495 314 V N 2.878 122.836 119.914 0.074 0.000 2.483 314 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 314 V C -1.129 174.925 176.094 -0.067 0.000 1.027 314 V CA -0.347 62.030 62.300 0.130 0.000 0.855 314 V CB 0.871 32.739 31.823 0.075 0.000 0.995 314 V HN 0.842 nan 8.190 nan 0.000 0.424 315 Y N 3.134 123.473 120.300 0.066 0.000 2.419 315 Y HA 0.731 5.281 4.550 -0.000 0.000 0.328 315 Y C 0.357 176.221 175.900 -0.060 0.000 1.162 315 Y CA -0.666 57.427 58.100 -0.012 0.000 1.174 315 Y CB 2.189 40.670 38.460 0.035 0.000 1.228 315 Y HN 0.562 nan 8.280 nan 0.000 0.473 316 V N -0.790 119.150 119.914 0.043 0.000 2.914 316 V HA 0.711 4.831 4.120 -0.000 0.000 0.314 316 V C -0.693 175.304 176.094 -0.161 0.000 1.084 316 V CA -0.833 61.395 62.300 -0.121 0.000 0.963 316 V CB 1.781 33.417 31.823 -0.313 0.000 1.025 316 V HN 0.657 nan 8.190 nan 0.000 0.432 317 S N 1.923 117.558 115.700 -0.108 0.000 2.594 317 S HA 0.516 4.986 4.470 -0.000 0.000 0.322 317 S C 0.138 174.733 174.600 -0.008 0.000 1.085 317 S CA -0.537 57.643 58.200 -0.033 0.000 1.116 317 S CB 0.358 63.616 63.200 0.096 0.000 0.979 317 S HN 0.737 nan 8.310 nan 0.000 0.465 318 Y N 3.524 123.875 120.300 0.085 0.000 2.293 318 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 318 Y C 1.763 177.710 175.900 0.078 0.000 1.137 318 Y CA 0.537 58.684 58.100 0.078 0.000 1.202 318 Y CB -0.017 38.490 38.460 0.078 0.000 0.990 318 Y HN 0.555 nan 8.280 nan 0.000 0.537 319 L N -0.222 121.132 121.223 0.219 0.000 2.046 319 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 319 L C 2.573 179.586 176.870 0.238 0.000 1.077 319 L CA 1.876 56.816 54.840 0.168 0.000 0.747 319 L CB -1.185 40.913 42.059 0.066 0.000 0.896 319 L HN 0.185 nan 8.230 nan 0.000 0.432 320 A N -0.793 122.170 122.820 0.239 0.000 1.898 320 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 320 A C 2.490 180.182 177.584 0.180 0.000 1.181 320 A CA 1.549 53.729 52.037 0.238 0.000 0.620 320 A CB -0.923 18.186 19.000 0.181 0.000 0.819 320 A HN 0.367 nan 8.150 nan 0.000 0.442 321 A N 0.344 123.280 122.820 0.192 0.000 1.940 321 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 321 A C 1.794 179.587 177.584 0.349 0.000 1.176 321 A CA 1.722 53.916 52.037 0.261 0.000 0.631 321 A CB -0.905 18.233 19.000 0.229 0.000 0.814 321 A HN 0.723 nan 8.150 nan 0.000 0.446 322 N N -0.999 117.807 118.700 0.176 0.000 2.550 322 N HA -0.049 4.690 4.740 -0.000 0.000 0.186 322 N C 0.629 175.959 175.510 -0.299 0.000 1.110 322 N CA 0.179 53.149 53.050 -0.132 0.000 0.912 322 N CB 0.112 38.518 38.487 -0.135 0.000 0.968 322 N HN 0.202 nan 8.380 nan 0.000 0.448 323 R N 0.537 121.026 120.500 -0.019 0.000 2.613 323 R HA 0.100 4.440 4.340 -0.000 0.000 0.361 323 R C -0.630 175.744 176.300 0.123 0.000 1.072 323 R CA -0.156 55.927 56.100 -0.029 0.000 1.089 323 R CB -0.362 29.829 30.300 -0.181 0.000 1.343 323 R HN 0.150 nan 8.270 nan 0.000 0.571 324 D N 3.321 123.908 120.400 0.311 0.000 2.412 324 D HA 0.005 4.645 4.640 -0.000 0.000 0.257 324 D C -1.206 175.215 176.300 0.201 0.000 1.217 324 D CA -1.417 52.730 54.000 0.244 0.000 0.897 324 D CB 1.564 42.523 40.800 0.265 0.000 1.132 324 D HN 0.019 nan 8.370 nan 0.000 0.493 325 P HA -0.132 nan 4.420 nan 0.000 0.225 325 P C 1.039 178.348 177.300 0.014 0.000 1.148 325 P CA 0.824 63.959 63.100 0.058 0.000 0.779 325 P CB 0.479 32.193 31.700 0.023 0.000 0.780 326 E N 0.025 120.213 120.200 -0.019 0.000 2.060 326 E HA -0.059 4.291 4.350 -0.000 0.000 0.189 326 E C 1.884 178.385 176.600 -0.166 0.000 0.974 326 E CA 0.691 57.048 56.400 -0.070 0.000 0.808 326 E CB -0.031 29.632 29.700 -0.061 0.000 0.768 326 E HN -0.032 nan 8.360 nan 0.000 0.453 327 V N 0.315 120.056 119.914 -0.288 0.000 2.488 327 V HA -0.079 4.041 4.120 -0.000 0.000 0.246 327 V C 0.441 176.029 176.094 -0.842 0.000 1.046 327 V CA 1.073 62.965 62.300 -0.681 0.000 1.053 327 V CB -0.198 30.955 31.823 -1.117 0.000 0.679 327 V HN 0.165 nan 8.190 nan 0.000 0.458 328 F N 0.371 120.282 119.950 -0.065 0.000 2.564 328 F HA 0.483 5.010 4.527 -0.000 0.000 0.361 328 F C -2.585 173.209 175.800 -0.010 0.000 1.161 328 F CA -2.694 55.293 58.000 -0.022 0.000 1.198 328 F CB 0.280 39.285 39.000 0.010 0.000 1.424 328 F HN -0.032 nan 8.300 nan 0.000 0.517 329 P HA -0.095 nan 4.420 nan 0.000 0.263 329 P C 0.228 177.575 177.300 0.079 0.000 1.175 329 P CA 0.711 63.844 63.100 0.056 0.000 0.761 329 P CB 0.423 32.136 31.700 0.021 0.000 0.794 330 D N 3.380 123.813 120.400 0.055 0.000 2.737 330 D HA -0.137 4.503 4.640 -0.000 0.000 0.238 330 D C -1.079 175.268 176.300 0.079 0.000 1.157 330 D CA 0.202 54.230 54.000 0.047 0.000 0.694 330 D CB -0.244 40.576 40.800 0.033 0.000 1.021 330 D HN 0.278 nan 8.370 nan 0.000 0.420 331 P HA -0.148 nan 4.420 nan 0.000 0.218 331 P C 0.847 178.212 177.300 0.109 0.000 1.148 331 P CA 0.964 64.125 63.100 0.103 0.000 0.822 331 P CB 0.258 32.001 31.700 0.070 0.000 0.784 332 D N -0.961 119.496 120.400 0.096 0.000 2.349 332 D HA 0.005 4.645 4.640 -0.000 0.000 0.224 332 D C 1.091 177.567 176.300 0.293 0.000 1.029 332 D CA 0.314 54.446 54.000 0.220 0.000 0.879 332 D CB -0.139 40.721 40.800 0.100 0.000 0.906 332 D HN 0.238 nan 8.370 nan 0.000 0.528 333 R N 1.126 121.702 120.500 0.127 0.000 2.297 333 R HA 0.345 4.685 4.340 -0.000 0.000 0.308 333 R C -0.208 176.046 176.300 -0.076 0.000 1.029 333 R CA -0.422 55.677 56.100 -0.002 0.000 0.929 333 R CB 0.679 30.969 30.300 -0.016 0.000 1.046 333 R HN -0.112 nan 8.270 nan 0.000 0.461 334 I N 4.171 124.571 120.570 -0.284 0.000 2.308 334 I HA 0.048 4.218 4.170 -0.000 0.000 0.293 334 I C -0.364 175.580 176.117 -0.289 0.000 1.078 334 I CA 0.021 61.112 61.300 -0.348 0.000 1.292 334 I CB 0.875 38.517 38.000 -0.597 0.000 1.423 334 I HN 0.518 nan 8.210 nan 0.000 0.493 335 D N 6.535 126.867 120.400 -0.113 0.000 2.461 335 D HA 0.221 4.861 4.640 -0.000 0.000 0.240 335 D C 0.706 177.071 176.300 0.108 0.000 1.094 335 D CA -0.398 53.557 54.000 -0.075 0.000 0.868 335 D CB 0.600 41.396 40.800 -0.007 0.000 1.062 335 D HN 0.348 nan 8.370 nan 0.000 0.530 336 F N 1.239 121.174 119.950 -0.024 0.000 2.373 336 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 336 F C 1.687 177.495 175.800 0.013 0.000 1.080 336 F CA 0.496 58.491 58.000 -0.008 0.000 1.417 336 F CB 0.321 39.310 39.000 -0.018 0.000 1.070 336 F HN 0.379 nan 8.300 nan 0.000 0.546 337 E N 0.267 120.580 120.200 0.188 0.000 2.474 337 E HA -0.021 4.329 4.350 -0.000 0.000 0.195 337 E C 0.545 177.207 176.600 0.103 0.000 1.039 337 E CA -0.414 56.059 56.400 0.120 0.000 0.881 337 E CB 0.056 29.804 29.700 0.080 0.000 0.970 337 E HN 0.049 nan 8.360 nan 0.000 0.486 338 R N 1.910 122.483 120.500 0.123 0.000 2.912 338 R HA -0.110 4.230 4.340 -0.000 0.000 0.308 338 R C 0.314 176.681 176.300 0.111 0.000 0.787 338 R CA 0.275 56.450 56.100 0.125 0.000 1.117 338 R CB -0.220 30.183 30.300 0.171 0.000 0.893 338 R HN -0.116 nan 8.270 nan 0.000 0.401 339 S N 5.522 121.271 115.700 0.081 0.000 2.350 339 S HA -0.000 4.470 4.470 -0.000 0.000 0.193 339 S C -1.653 172.985 174.600 0.063 0.000 1.322 339 S CA 0.590 58.825 58.200 0.059 0.000 2.111 339 S CB -0.612 62.608 63.200 0.033 0.000 0.690 339 S HN 0.663 nan 8.310 nan 0.000 0.359 340 P HA 0.289 nan 4.420 nan 0.000 0.271 340 P C -0.622 176.728 177.300 0.082 0.000 1.216 340 P CA 0.164 63.280 63.100 0.027 0.000 0.776 340 P CB 0.221 31.901 31.700 -0.035 0.000 0.881 341 N N 2.499 121.281 118.700 0.136 0.000 2.733 341 N HA 0.232 4.972 4.740 -0.000 0.000 0.271 341 N C -2.505 173.178 175.510 0.289 0.000 1.720 341 N CA -1.766 51.464 53.050 0.301 0.000 0.803 341 N CB 0.164 38.827 38.487 0.293 0.000 1.208 341 N HN 0.094 nan 8.380 nan 0.000 0.498 342 P HA 0.098 nan 4.420 nan 0.000 0.237 342 P C -0.460 177.083 177.300 0.405 0.000 1.723 342 P CA -0.111 63.097 63.100 0.179 0.000 0.882 342 P CB -0.977 30.752 31.700 0.049 0.000 1.810 343 H N -1.106 118.223 119.070 0.431 0.000 2.757 343 H HA 0.219 4.774 4.556 -0.000 0.000 0.370 343 H C 0.531 175.990 175.328 0.219 0.000 1.172 343 H CA -0.864 55.370 56.048 0.311 0.000 1.426 343 H CB 0.524 30.311 29.762 0.040 0.000 1.438 343 H HN -0.049 nan 8.280 nan 0.000 0.612 344 V N -0.640 119.480 119.914 0.344 0.000 2.854 344 V HA 0.272 4.392 4.120 -0.000 0.000 0.366 344 V C 0.742 176.829 176.094 -0.012 0.000 1.322 344 V CA 0.011 62.407 62.300 0.160 0.000 1.243 344 V CB -0.171 31.728 31.823 0.128 0.000 1.337 344 V HN 0.746 nan 8.190 nan 0.000 0.585 345 S N 0.637 116.383 115.700 0.077 0.000 2.447 345 S HA 0.134 4.604 4.470 -0.000 0.000 0.233 345 S C 1.029 175.358 174.600 -0.451 0.000 1.006 345 S CA 1.489 59.510 58.200 -0.297 0.000 0.957 345 S CB -0.416 62.434 63.200 -0.583 0.000 0.773 345 S HN 0.765 nan 8.310 nan 0.000 0.507 346 F N 1.620 121.546 119.950 -0.039 0.000 2.668 346 F HA 0.377 4.903 4.527 -0.000 0.000 0.297 346 F C 1.541 177.246 175.800 -0.158 0.000 1.124 346 F CA -0.141 57.821 58.000 -0.064 0.000 1.353 346 F CB -0.133 38.911 39.000 0.072 0.000 0.992 346 F HN 0.287 nan 8.300 nan 0.000 0.524 347 G N 1.146 109.670 108.800 -0.460 0.000 2.693 347 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.226 347 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.226 347 G C -1.168 173.727 174.900 -0.008 0.000 1.354 347 G CA -0.464 44.154 45.100 -0.805 0.000 0.873 347 G HN 0.199 nan 8.290 nan 0.000 0.562 348 F N -0.362 119.637 119.950 0.081 0.000 2.713 348 F HA 0.654 5.181 4.527 -0.000 0.000 0.311 348 F C 0.738 176.658 175.800 0.201 0.000 1.141 348 F CA 1.535 59.620 58.000 0.141 0.000 0.939 348 F CB 1.350 40.429 39.000 0.132 0.000 1.325 348 F HN 2.548 nan 8.300 nan 0.000 0.453 349 G N 3.416 111.906 108.800 -0.516 0.000 2.681 349 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 349 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 349 G C -2.457 172.446 174.900 0.005 0.000 1.353 349 G CA -0.389 44.583 45.100 -0.213 0.000 0.872 349 G HN 0.575 nan 8.290 nan 0.000 0.557 350 P HA -0.059 nan 4.420 nan 0.000 0.216 350 P C 1.209 178.532 177.300 0.038 0.000 1.150 350 P CA 1.608 64.734 63.100 0.044 0.000 0.843 350 P CB -0.102 31.535 31.700 -0.104 0.000 0.787 351 H N -2.139 116.976 119.070 0.076 0.000 2.536 351 H HA 0.032 4.588 4.556 -0.000 0.000 0.276 351 H C 0.435 175.799 175.328 0.060 0.000 1.019 351 H CA -0.249 55.835 56.048 0.060 0.000 1.159 351 H CB -0.899 28.856 29.762 -0.012 0.000 1.373 351 H HN 0.307 nan 8.280 nan 0.000 0.584 352 Y N -0.331 120.015 120.300 0.076 0.000 2.683 352 Y HA -0.012 4.538 4.550 -0.000 0.000 0.340 352 Y C 0.643 176.552 175.900 0.014 0.000 1.245 352 Y CA -1.205 56.917 58.100 0.037 0.000 1.485 352 Y CB 0.100 38.545 38.460 -0.024 0.000 1.328 352 Y HN 0.013 nan 8.280 nan 0.000 0.603 353 C N 8.783 128.056 119.300 -0.045 0.000 2.519 353 C HA 0.056 4.515 4.460 -0.000 0.000 0.402 353 C C -0.479 174.241 174.990 -0.450 0.000 1.475 353 C CA -1.206 57.706 59.018 -0.177 0.000 1.504 353 C CB -0.520 27.245 27.740 0.043 0.000 2.454 353 C HN 0.896 nan 8.230 nan 0.000 0.615 354 P HA 0.032 nan 4.420 nan 0.000 0.221 354 P C 1.229 178.255 177.300 -0.458 0.000 1.150 354 P CA 1.683 64.404 63.100 -0.632 0.000 0.800 354 P CB -0.038 31.172 31.700 -0.817 0.000 0.787 355 G N -0.117 108.461 108.800 -0.370 0.000 3.026 355 G HA2 0.061 4.021 3.960 -0.000 0.000 0.208 355 G HA3 0.061 4.021 3.960 -0.000 0.000 0.208 355 G C 1.595 176.323 174.900 -0.287 0.000 1.169 355 G CA 0.438 45.431 45.100 -0.178 0.000 0.788 355 G HN 0.309 nan 8.290 nan 0.000 0.533 356 G N 1.243 109.714 108.800 -0.548 0.000 2.476 356 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.218 356 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.218 356 G C 1.768 176.243 174.900 -0.708 0.000 1.164 356 G CA 0.979 45.306 45.100 -1.288 0.000 0.768 356 G HN 0.321 nan 8.290 nan 0.000 0.560 357 M N -0.243 119.198 119.600 -0.266 0.000 2.200 357 M HA 0.129 4.609 4.480 -0.000 0.000 0.265 357 M C 2.461 178.733 176.300 -0.048 0.000 1.066 357 M CA 0.644 55.887 55.300 -0.094 0.000 1.127 357 M CB -1.041 31.553 32.600 -0.009 0.000 1.379 357 M HN 0.276 nan 8.290 nan 0.000 0.420 358 L N 0.690 121.896 121.223 -0.028 0.000 2.093 358 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 358 L C 2.449 179.326 176.870 0.010 0.000 1.085 358 L CA 1.674 56.518 54.840 0.006 0.000 0.755 358 L CB -0.767 41.328 42.059 0.060 0.000 0.904 358 L HN 0.223 nan 8.230 nan 0.000 0.435 359 A N -0.528 122.278 122.820 -0.024 0.000 1.933 359 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 359 A C 2.435 180.100 177.584 0.135 0.000 1.175 359 A CA 1.645 53.726 52.037 0.074 0.000 0.628 359 A CB -0.487 18.592 19.000 0.132 0.000 0.814 359 A HN 0.463 nan 8.150 nan 0.000 0.444 360 R N -0.957 119.607 120.500 0.108 0.000 2.092 360 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 360 R C 2.225 178.589 176.300 0.107 0.000 1.119 360 R CA 1.301 57.486 56.100 0.141 0.000 0.970 360 R CB -0.461 29.922 30.300 0.138 0.000 0.864 360 R HN 0.618 nan 8.270 nan 0.000 0.440 361 L N 1.237 122.510 121.223 0.084 0.000 2.017 361 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 361 L C 1.868 178.827 176.870 0.149 0.000 1.073 361 L CA 1.732 56.626 54.840 0.090 0.000 0.745 361 L CB -0.141 41.953 42.059 0.058 0.000 0.894 361 L HN 0.175 nan 8.230 nan 0.000 0.432 362 E N -0.474 119.826 120.200 0.167 0.000 2.077 362 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 362 E C 2.178 178.973 176.600 0.325 0.000 0.989 362 E CA 1.550 58.141 56.400 0.318 0.000 0.800 362 E CB -0.046 29.776 29.700 0.203 0.000 0.746 362 E HN 0.502 nan 8.360 nan 0.000 0.452 363 S N 0.758 116.583 115.700 0.208 0.000 2.382 363 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 363 S C 1.770 176.435 174.600 0.107 0.000 1.027 363 S CA 1.024 59.315 58.200 0.150 0.000 0.991 363 S CB -0.169 63.090 63.200 0.098 0.000 0.823 363 S HN 0.275 nan 8.310 nan 0.000 0.469 364 E N 0.965 121.224 120.200 0.098 0.000 2.051 364 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 364 E C 2.066 178.708 176.600 0.071 0.000 0.991 364 E CA 0.934 57.371 56.400 0.062 0.000 0.799 364 E CB -0.278 29.456 29.700 0.057 0.000 0.748 364 E HN 0.405 nan 8.360 nan 0.000 0.449 365 L N 0.688 121.975 121.223 0.105 0.000 2.046 365 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 365 L C 2.520 179.385 176.870 -0.008 0.000 1.077 365 L CA 0.854 55.731 54.840 0.061 0.000 0.747 365 L CB -0.383 41.757 42.059 0.135 0.000 0.896 365 L HN 0.185 nan 8.230 nan 0.000 0.432 366 L N -0.964 120.288 121.223 0.048 0.000 2.017 366 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 366 L C 2.542 179.556 176.870 0.240 0.000 1.073 366 L CA 0.979 55.869 54.840 0.082 0.000 0.745 366 L CB -0.504 41.725 42.059 0.282 0.000 0.894 366 L HN 0.051 nan 8.230 nan 0.000 0.432 367 V N -0.282 119.773 119.914 0.235 0.000 2.343 367 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 367 V C 2.150 178.313 176.094 0.116 0.000 1.051 367 V CA 1.865 64.293 62.300 0.214 0.000 1.036 367 V CB -0.528 31.314 31.823 0.032 0.000 0.654 367 V HN 0.444 nan 8.190 nan 0.000 0.451 368 D N 0.465 120.894 120.400 0.048 0.000 2.087 368 D HA -0.153 4.487 4.640 -0.000 0.000 0.192 368 D C 2.251 178.540 176.300 -0.019 0.000 0.993 368 D CA 1.874 55.880 54.000 0.010 0.000 0.828 368 D CB -0.435 40.364 40.800 -0.003 0.000 0.968 368 D HN 0.431 nan 8.370 nan 0.000 0.448 369 A N 0.622 123.410 122.820 -0.054 0.000 1.877 369 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 369 A C 2.583 180.085 177.584 -0.136 0.000 1.186 369 A CA 1.558 53.528 52.037 -0.111 0.000 0.620 369 A CB -0.828 18.066 19.000 -0.176 0.000 0.822 369 A HN 0.155 nan 8.150 nan 0.000 0.443 370 V N 0.046 119.878 119.914 -0.135 0.000 2.427 370 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 370 V C 2.427 178.458 176.094 -0.105 0.000 1.051 370 V CA 1.819 63.992 62.300 -0.213 0.000 1.048 370 V CB -0.671 30.895 31.823 -0.428 0.000 0.666 370 V HN 0.542 nan 8.190 nan 0.000 0.456 371 L N -0.512 120.715 121.223 0.007 0.000 2.341 371 L HA 0.021 4.361 4.340 -0.000 0.000 0.214 371 L C 1.703 178.568 176.870 -0.009 0.000 1.115 371 L CA 0.835 55.691 54.840 0.027 0.000 0.820 371 L CB -0.340 41.764 42.059 0.075 0.000 0.944 371 L HN 0.334 nan 8.230 nan 0.000 0.452 372 D N -0.380 120.002 120.400 -0.031 0.000 2.392 372 D HA 0.050 4.690 4.640 -0.000 0.000 0.206 372 D C 1.727 177.991 176.300 -0.060 0.000 1.046 372 D CA 0.472 54.451 54.000 -0.035 0.000 0.865 372 D CB 0.410 41.193 40.800 -0.027 0.000 0.969 372 D HN 0.196 nan 8.370 nan 0.000 0.509 373 R N 0.046 120.485 120.500 -0.103 0.000 2.437 373 R HA 0.241 4.581 4.340 -0.000 0.000 0.257 373 R C -0.248 175.931 176.300 -0.202 0.000 0.927 373 R CA 0.071 56.092 56.100 -0.132 0.000 1.078 373 R CB 1.849 32.063 30.300 -0.142 0.000 1.161 373 R HN -0.108 nan 8.270 nan 0.000 0.529 374 V N 4.173 123.952 119.914 -0.226 0.000 2.276 374 V HA 0.208 4.328 4.120 -0.000 0.000 0.268 374 V C -2.213 173.792 176.094 -0.148 0.000 1.032 374 V CA -1.949 60.137 62.300 -0.358 0.000 0.810 374 V CB 1.094 32.609 31.823 -0.513 0.000 1.060 374 V HN 0.015 nan 8.190 nan 0.000 0.446 375 P HA 0.102 nan 4.420 nan 0.000 0.261 375 P C 0.964 178.397 177.300 0.222 0.000 1.203 375 P CA 1.344 64.513 63.100 0.115 0.000 0.767 375 P CB 0.818 32.608 31.700 0.149 0.000 0.785 376 G N 2.187 111.092 108.800 0.176 0.000 2.143 376 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 376 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 376 G C -0.043 174.898 174.900 0.069 0.000 0.991 376 G CA -0.067 45.105 45.100 0.119 0.000 0.689 376 G HN 0.644 nan 8.290 nan 0.000 0.522 377 L N 0.898 122.179 121.223 0.097 0.000 2.615 377 L HA 0.501 4.841 4.340 -0.000 0.000 0.284 377 L C 0.611 177.528 176.870 0.077 0.000 1.237 377 L CA 1.225 56.125 54.840 0.101 0.000 0.905 377 L CB 0.178 42.245 42.059 0.012 0.000 1.149 377 L HN 0.639 nan 8.230 nan 0.000 0.499 378 K N 3.686 124.141 120.400 0.092 0.000 2.615 378 K HA 0.451 4.771 4.320 -0.000 0.000 0.291 378 K C -1.431 175.215 176.600 0.076 0.000 1.017 378 K CA -1.111 55.214 56.287 0.064 0.000 0.882 378 K CB 0.544 33.064 32.500 0.034 0.000 1.522 378 K HN 0.473 nan 8.250 nan 0.000 0.412 379 L N 1.204 122.465 121.223 0.063 0.000 2.461 379 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 379 L C 1.179 178.083 176.870 0.057 0.000 1.197 379 L CA 0.040 54.924 54.840 0.075 0.000 0.836 379 L CB 0.962 43.065 42.059 0.073 0.000 1.105 379 L HN 1.027 nan 8.230 nan 0.000 0.477 380 A N 3.089 125.945 122.820 0.060 0.000 2.275 380 A HA 0.352 4.672 4.320 -0.000 0.000 0.212 380 A C 0.291 177.896 177.584 0.034 0.000 1.201 380 A CA 0.313 52.368 52.037 0.031 0.000 0.843 380 A CB -0.121 18.891 19.000 0.019 0.000 0.873 380 A HN 0.505 nan 8.150 nan 0.000 0.492 381 V N -5.122 114.825 119.914 0.056 0.000 3.160 381 V HA 0.881 5.001 4.120 -0.000 0.000 0.310 381 V C 0.078 176.214 176.094 0.070 0.000 1.181 381 V CA -1.052 61.284 62.300 0.060 0.000 1.047 381 V CB 0.855 32.723 31.823 0.076 0.000 1.068 381 V HN 0.635 nan 8.190 nan 0.000 0.441 382 A N 2.179 125.039 122.820 0.066 0.000 2.483 382 A HA 0.549 4.869 4.320 -0.000 0.000 0.238 382 A C -0.892 176.755 177.584 0.105 0.000 1.070 382 A CA -0.415 51.661 52.037 0.066 0.000 0.770 382 A CB -0.357 18.676 19.000 0.055 0.000 1.008 382 A HN 0.883 nan 8.150 nan 0.000 0.497 383 P HA -0.206 nan 4.420 nan 0.000 0.216 383 P C 0.488 177.960 177.300 0.287 0.000 1.153 383 P CA 1.736 64.938 63.100 0.170 0.000 0.858 383 P CB 0.033 31.751 31.700 0.031 0.000 0.789 384 E N -0.313 119.981 120.200 0.157 0.000 2.478 384 E HA -0.089 4.261 4.350 -0.000 0.000 0.198 384 E C 1.046 177.713 176.600 0.110 0.000 1.046 384 E CA 0.725 57.194 56.400 0.114 0.000 0.870 384 E CB -0.873 28.865 29.700 0.064 0.000 0.818 384 E HN 0.302 nan 8.360 nan 0.000 0.527 385 D N -0.017 120.462 120.400 0.131 0.000 2.349 385 D HA 0.040 4.680 4.640 -0.000 0.000 0.214 385 D C -0.350 176.037 176.300 0.145 0.000 1.063 385 D CA 0.041 54.109 54.000 0.113 0.000 0.847 385 D CB 0.439 41.290 40.800 0.086 0.000 0.933 385 D HN -0.005 nan 8.370 nan 0.000 0.513 386 V N 3.969 124.015 119.914 0.219 0.000 2.488 386 V HA 0.159 4.279 4.120 -0.000 0.000 0.277 386 V C -1.912 174.342 176.094 0.267 0.000 1.046 386 V CA -1.228 61.220 62.300 0.246 0.000 0.986 386 V CB 1.087 33.136 31.823 0.375 0.000 0.989 386 V HN 0.026 nan 8.190 nan 0.000 0.475 387 P HA 0.294 nan 4.420 nan 0.000 0.282 387 P C -1.061 176.332 177.300 0.156 0.000 1.262 387 P CA -0.135 63.061 63.100 0.160 0.000 0.773 387 P CB 0.632 32.376 31.700 0.073 0.000 0.879 388 F N 1.893 121.821 119.950 -0.038 0.000 2.470 388 F HA 0.371 4.898 4.527 -0.000 0.000 0.329 388 F C 1.270 177.050 175.800 -0.033 0.000 1.072 388 F CA -0.931 57.040 58.000 -0.048 0.000 0.989 388 F CB 1.381 40.339 39.000 -0.071 0.000 1.193 388 F HN 0.123 nan 8.300 nan 0.000 0.481 389 K N 2.402 122.840 120.400 0.063 0.000 2.484 389 K HA 0.084 4.404 4.320 -0.000 0.000 0.280 389 K C -0.486 176.141 176.600 0.046 0.000 1.013 389 K CA 0.294 56.597 56.287 0.027 0.000 1.029 389 K CB 0.370 32.862 32.500 -0.013 0.000 0.902 389 K HN 0.466 nan 8.250 nan 0.000 0.481 390 K N 0.658 121.072 120.400 0.024 0.000 2.123 390 K HA 0.241 4.561 4.320 -0.000 0.000 0.259 390 K C 0.574 177.170 176.600 -0.005 0.000 0.960 390 K CA -0.329 55.966 56.287 0.014 0.000 0.872 390 K CB 1.655 34.164 32.500 0.016 0.000 1.079 390 K HN 0.784 nan 8.250 nan 0.000 0.440 391 G N 0.840 109.630 108.800 -0.017 0.000 2.321 391 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.287 391 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.287 391 G C 0.081 174.958 174.900 -0.038 0.000 1.018 391 G CA 0.643 45.726 45.100 -0.030 0.000 0.855 391 G HN 0.728 nan 8.290 nan 0.000 0.507 392 A N -1.409 121.387 122.820 -0.041 0.000 2.256 392 A HA 0.876 5.196 4.320 -0.000 0.000 0.318 392 A C 1.313 178.852 177.584 -0.075 0.000 1.103 392 A CA -0.150 51.857 52.037 -0.049 0.000 0.860 392 A CB 0.828 19.803 19.000 -0.042 0.000 1.182 392 A HN 0.501 nan 8.150 nan 0.000 0.501 393 L N -0.123 121.055 121.223 -0.076 0.000 2.269 393 L HA 0.203 4.543 4.340 -0.000 0.000 0.200 393 L C -0.112 176.687 176.870 -0.118 0.000 1.069 393 L CA 0.455 55.239 54.840 -0.093 0.000 0.804 393 L CB -0.127 41.895 42.059 -0.062 0.000 0.987 393 L HN 0.443 nan 8.230 nan 0.000 0.468 394 I N 0.947 121.440 120.570 -0.127 0.000 2.336 394 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 394 I C 0.289 176.303 176.117 -0.172 0.000 0.991 394 I CA -0.247 60.917 61.300 -0.226 0.000 1.227 394 I CB 1.330 39.176 38.000 -0.257 0.000 1.366 394 I HN 0.141 nan 8.210 nan 0.000 0.466 395 R N 3.160 123.557 120.500 -0.172 0.000 2.560 395 R HA 0.730 5.070 4.340 -0.000 0.000 0.270 395 R C 0.255 176.542 176.300 -0.021 0.000 1.074 395 R CA -0.443 55.632 56.100 -0.042 0.000 1.140 395 R CB 1.130 31.436 30.300 0.012 0.000 1.073 395 R HN 0.927 nan 8.270 nan 0.000 0.527 396 G N 1.147 109.964 108.800 0.029 0.000 2.350 396 G HA2 0.066 4.026 3.960 -0.000 0.000 0.305 396 G HA3 0.066 4.026 3.960 -0.000 0.000 0.305 396 G C -3.096 171.429 174.900 -0.626 0.000 1.479 396 G CA -1.111 43.874 45.100 -0.193 0.000 0.949 396 G HN 0.362 nan 8.290 nan 0.000 0.651 397 P HA 0.256 nan 4.420 nan 0.000 0.271 397 P C 0.171 177.246 177.300 -0.375 0.000 1.218 397 P CA 0.021 62.543 63.100 -0.963 0.000 0.780 397 P CB 1.763 33.009 31.700 -0.757 0.000 0.901 398 E N 0.635 120.692 120.200 -0.238 0.000 2.230 398 E HA 0.130 4.480 4.350 -0.000 0.000 0.192 398 E C 0.523 177.079 176.600 -0.073 0.000 0.987 398 E CA 0.620 56.958 56.400 -0.104 0.000 0.841 398 E CB 0.375 30.046 29.700 -0.047 0.000 0.783 398 E HN 0.598 nan 8.360 nan 0.000 0.481 399 A N 0.243 123.015 122.820 -0.081 0.000 2.612 399 A HA 0.550 4.870 4.320 -0.000 0.000 0.293 399 A C -1.811 175.759 177.584 -0.023 0.000 1.075 399 A CA -0.627 51.391 52.037 -0.032 0.000 0.680 399 A CB 1.257 20.256 19.000 -0.001 0.000 1.279 399 A HN 0.042 nan 8.150 nan 0.000 0.411 400 L N 1.768 123.001 121.223 0.018 0.000 2.470 400 L HA 0.501 4.841 4.340 -0.000 0.000 0.253 400 L C -2.742 174.176 176.870 0.080 0.000 1.163 400 L CA -1.586 53.292 54.840 0.064 0.000 0.932 400 L CB 1.425 43.530 42.059 0.076 0.000 1.213 400 L HN 0.330 nan 8.230 nan 0.000 0.485 401 P HA 0.190 nan 4.420 nan 0.000 0.265 401 P C -0.852 176.507 177.300 0.097 0.000 1.222 401 P CA 0.170 63.318 63.100 0.080 0.000 0.767 401 P CB 0.762 32.502 31.700 0.067 0.000 0.801 402 V N 0.916 120.902 119.914 0.119 0.000 3.074 402 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 402 V C -0.405 175.802 176.094 0.189 0.000 1.117 402 V CA -0.592 61.803 62.300 0.158 0.000 1.014 402 V CB 2.197 34.126 31.823 0.175 0.000 1.057 402 V HN 0.465 nan 8.190 nan 0.000 0.438 403 T N 1.238 115.908 114.554 0.193 0.000 2.841 403 T HA 0.873 5.223 4.350 -0.000 0.000 0.296 403 T C -1.759 173.084 174.700 0.238 0.000 1.166 403 T CA 0.125 62.250 62.100 0.042 0.000 1.007 403 T CB 1.816 70.615 68.868 -0.115 0.000 1.253 403 T HN 1.682 nan 8.240 nan 0.000 0.511 404 W N 0.433 121.683 121.300 -0.085 0.000 2.799 404 W HA 0.568 5.228 4.660 -0.000 0.000 0.416 404 W C -1.759 174.690 176.519 -0.117 0.000 1.108 404 W CA -0.908 56.359 57.345 -0.131 0.000 1.169 404 W CB 0.218 29.648 29.460 -0.049 0.000 1.471 404 W HN 0.574 nan 8.180 nan 0.000 0.586 405 H N 1.938 121.189 119.070 0.303 0.000 2.742 405 H HA 0.184 4.740 4.556 -0.000 0.000 0.302 405 H C 0.005 175.498 175.328 0.275 0.000 1.069 405 H CA 0.168 56.322 56.048 0.178 0.000 1.446 405 H CB 0.272 30.124 29.762 0.150 0.000 1.462 405 H HN 0.485 nan 8.280 nan 0.000 0.499 406 H N 0.000 119.151 119.070 0.136 0.000 2.539 406 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 406 H CA 0.000 56.129 56.048 0.136 0.000 1.023 406 H CB 0.000 29.763 29.762 0.002 0.000 1.292 406 H HN 0.000 nan 8.280 nan 0.000 0.496