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 3dk4_1_A DATA FIRST_RESID 17 DATA SEQUENCE AVASYDYLVI GGGSGGLASA RRAAELGARA AVVESHKLGG TCVNVGCVPK DATA SEQUENCE KVMWNTAVHS EFMHDHADYG FPSCEGKFNW RVIKEKRDAY VSRLNAIYQN DATA SEQUENCE NLTKSHIEII RGHAAFTSDP KPTIEVSGKK YTAPHILIAT GGMPSTPHES DATA SEQUENCE QIPGASLGIT SDGFFQLEEL PGRSVIVGAG YIAVEMAGIL SALGSKTSLM DATA SEQUENCE IRHDKVLRSF DSMISTNCTE ELENAGVEVL KFSQVKEVKK TLSGLEVSMV DATA SEQUENCE TAVPGRLPVM TMIPDVDCLL WAIGRVPNTK DLSLNKLGIQ TDDKGHIIVD DATA SEQUENCE EFQNTNVKGI YAVGDVCGKA LLTPVAIAAG RKLAHRLFEY KEDSKLDYNN DATA SEQUENCE IPTVVFSHPP IGTVGLTEDE AIHKYGIENV KTYSTSFTPM YHAVTKRKTK DATA SEQUENCE CVMKMVCANK EEKVVGIHMQ GLGCDEMLQG FAVAVKMGAT KADFDNTVAI DATA SEQUENCE HPTSSEELVT LR 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.537 177.584 -0.078 0.000 1.274 17 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 17 A CB 0.000 18.972 19.000 -0.046 0.000 0.831 18 V N 1.008 120.882 119.914 -0.067 0.000 2.525 18 V HA 0.725 4.846 4.120 0.003 0.000 0.299 18 V C 0.290 176.350 176.094 -0.056 0.000 1.034 18 V CA 0.204 62.459 62.300 -0.075 0.000 0.863 18 V CB 1.288 33.096 31.823 -0.024 0.000 0.999 18 V HN 2.159 nan 8.190 nan 0.000 0.423 19 A N 4.785 127.561 122.820 -0.074 0.000 2.366 19 A HA 0.737 5.059 4.320 0.003 0.000 0.272 19 A C 0.194 177.823 177.584 0.074 0.000 1.135 19 A CA 0.055 52.086 52.037 -0.009 0.000 0.804 19 A CB 0.998 20.044 19.000 0.076 0.000 1.064 19 A HN 0.998 nan 8.150 nan 0.000 0.499 20 S N 1.122 116.777 115.700 -0.075 0.000 2.509 20 S HA 0.749 5.221 4.470 0.003 0.000 0.297 20 S C -1.204 173.238 174.600 -0.263 0.000 1.118 20 S CA -0.316 57.875 58.200 -0.014 0.000 1.074 20 S CB 0.257 63.460 63.200 0.005 0.000 1.038 20 S HN 0.488 nan 8.310 nan 0.000 0.498 21 Y N 1.139 121.514 120.300 0.126 0.000 2.602 21 Y HA 0.381 4.933 4.550 0.003 0.000 0.342 21 Y C 1.117 177.117 175.900 0.166 0.000 1.029 21 Y CA -0.932 57.245 58.100 0.128 0.000 1.080 21 Y CB 1.099 39.633 38.460 0.124 0.000 1.284 21 Y HN 0.556 nan 8.280 nan 0.000 0.485 22 D N -0.021 120.571 120.400 0.321 0.000 2.183 22 D HA -0.135 4.507 4.640 0.003 0.000 0.203 22 D C -0.563 176.063 176.300 0.543 0.000 0.969 22 D CA 1.881 56.095 54.000 0.357 0.000 0.842 22 D CB 0.301 41.223 40.800 0.204 0.000 0.957 22 D HN 0.265 nan 8.370 nan 0.000 0.484 23 Y N 0.241 120.703 120.300 0.269 0.000 2.362 23 Y HA 0.390 4.942 4.550 0.004 0.000 0.326 23 Y C -1.505 174.472 175.900 0.129 0.000 1.083 23 Y CA -1.066 57.190 58.100 0.260 0.000 1.073 23 Y CB 0.837 39.358 38.460 0.102 0.000 1.211 23 Y HN -0.284 nan 8.280 nan 0.000 0.433 24 L N 6.498 127.750 121.223 0.048 0.000 2.313 24 L HA 0.692 5.034 4.340 0.003 0.000 0.283 24 L C -0.939 175.730 176.870 -0.334 0.000 1.013 24 L CA -1.123 53.612 54.840 -0.174 0.000 0.816 24 L CB 1.768 43.779 42.059 -0.081 0.000 1.236 24 L HN 0.328 nan 8.230 nan 0.000 0.419 25 V N 5.038 124.716 119.914 -0.394 0.000 2.409 25 V HA 0.394 4.516 4.120 0.003 0.000 0.291 25 V C 0.121 176.069 176.094 -0.244 0.000 1.020 25 V CA -0.385 61.703 62.300 -0.354 0.000 0.848 25 V CB 1.896 33.486 31.823 -0.388 0.000 0.990 25 V HN 0.507 nan 8.190 nan 0.000 0.430 26 I N 4.907 125.369 120.570 -0.180 0.000 2.281 26 I HA 0.684 4.856 4.170 0.003 0.000 0.293 26 I C 0.786 176.833 176.117 -0.117 0.000 1.085 26 I CA 0.103 61.299 61.300 -0.173 0.000 1.257 26 I CB 0.770 38.657 38.000 -0.188 0.000 1.430 26 I HN 0.859 nan 8.210 nan 0.000 0.489 27 G N 3.607 112.337 108.800 -0.117 0.000 3.226 27 G HA2 0.060 4.022 3.960 0.003 0.000 0.685 27 G HA3 0.060 4.022 3.960 0.003 0.000 0.685 27 G C -0.115 174.735 174.900 -0.083 0.000 1.207 27 G CA -0.565 44.488 45.100 -0.077 0.000 0.877 27 G HN 0.906 nan 8.290 nan 0.000 0.585 28 G N 0.649 109.405 108.800 -0.073 0.000 4.294 28 G HA2 0.690 4.652 3.960 0.003 0.000 0.301 28 G HA3 0.690 4.652 3.960 0.003 0.000 0.301 28 G C 0.775 175.617 174.900 -0.097 0.000 1.321 28 G CA 0.889 45.941 45.100 -0.080 0.000 1.190 28 G HN 1.263 nan 8.290 nan 0.000 0.600 29 G N -0.036 108.709 108.800 -0.093 0.000 2.736 29 G HA2 0.402 4.364 3.960 0.003 0.000 0.229 29 G HA3 0.402 4.364 3.960 0.003 0.000 0.229 29 G C 1.199 176.022 174.900 -0.130 0.000 1.380 29 G CA 0.335 45.364 45.100 -0.118 0.000 1.040 29 G HN 0.155 nan 8.290 nan 0.000 0.568 30 S N -0.226 115.403 115.700 -0.118 0.000 2.359 30 S HA -0.152 4.320 4.470 0.003 0.000 0.223 30 S C 2.447 177.013 174.600 -0.057 0.000 1.039 30 S CA 1.882 60.019 58.200 -0.104 0.000 1.042 30 S CB -0.749 62.411 63.200 -0.067 0.000 0.915 30 S HN 0.787 nan 8.310 nan 0.000 0.439 31 G N 0.767 109.552 108.800 -0.026 0.000 2.394 31 G HA2 0.064 4.026 3.960 0.003 0.000 0.215 31 G HA3 0.064 4.026 3.960 0.003 0.000 0.215 31 G C 1.419 176.322 174.900 0.004 0.000 1.165 31 G CA 0.829 45.932 45.100 0.004 0.000 0.784 31 G HN 0.566 nan 8.290 nan 0.000 0.535 32 G N 0.968 109.755 108.800 -0.022 0.000 2.404 32 G HA2 -0.120 3.842 3.960 0.003 0.000 0.215 32 G HA3 -0.120 3.842 3.960 0.003 0.000 0.215 32 G C 1.811 176.686 174.900 -0.041 0.000 1.174 32 G CA 0.685 45.760 45.100 -0.043 0.000 0.780 32 G HN 0.399 nan 8.290 nan 0.000 0.537 33 L N 0.726 121.919 121.223 -0.050 0.000 2.012 33 L HA -0.098 4.243 4.340 0.003 0.000 0.210 33 L C 3.426 180.301 176.870 0.009 0.000 1.073 33 L CA 1.191 56.014 54.840 -0.029 0.000 0.748 33 L CB -0.447 41.576 42.059 -0.060 0.000 0.891 33 L HN 0.311 nan 8.230 nan 0.000 0.431 34 A N -1.160 121.666 122.820 0.009 0.000 1.902 34 A HA -0.219 4.103 4.320 0.003 0.000 0.217 34 A C 2.539 180.152 177.584 0.049 0.000 1.181 34 A CA 2.064 54.121 52.037 0.032 0.000 0.623 34 A CB -0.671 18.345 19.000 0.027 0.000 0.818 34 A HN 0.348 nan 8.150 nan 0.000 0.443 35 S N -0.641 115.101 115.700 0.070 0.000 2.355 35 S HA -0.004 4.468 4.470 0.003 0.000 0.222 35 S C 2.214 176.936 174.600 0.204 0.000 1.031 35 S CA 1.449 59.736 58.200 0.146 0.000 0.993 35 S CB -0.446 62.877 63.200 0.205 0.000 0.859 35 S HN 0.777 nan 8.310 nan 0.000 0.453 36 A N 1.636 124.534 122.820 0.129 0.000 1.902 36 A HA -0.075 4.247 4.320 0.003 0.000 0.217 36 A C 2.189 179.802 177.584 0.048 0.000 1.181 36 A CA 1.404 53.504 52.037 0.106 0.000 0.623 36 A CB -0.552 18.439 19.000 -0.014 0.000 0.818 36 A HN 0.592 nan 8.150 nan 0.000 0.443 37 R N -1.285 119.230 120.500 0.025 0.000 2.092 37 R HA -0.103 4.239 4.340 0.003 0.000 0.231 37 R C 2.431 178.718 176.300 -0.022 0.000 1.119 37 R CA 1.504 57.603 56.100 -0.001 0.000 0.970 37 R CB -0.244 30.064 30.300 0.014 0.000 0.864 37 R HN 0.409 nan 8.270 nan 0.000 0.440 38 R N 1.149 121.636 120.500 -0.022 0.000 2.073 38 R HA 0.008 4.350 4.340 0.003 0.000 0.229 38 R C 2.002 178.212 176.300 -0.150 0.000 1.120 38 R CA 1.673 57.722 56.100 -0.085 0.000 0.967 38 R CB -0.648 29.594 30.300 -0.098 0.000 0.862 38 R HN 0.217 nan 8.270 nan 0.000 0.436 39 A N 0.349 123.093 122.820 -0.127 0.000 1.908 39 A HA -0.088 4.233 4.320 0.003 0.000 0.218 39 A C 2.364 179.761 177.584 -0.312 0.000 1.181 39 A CA 1.927 53.780 52.037 -0.308 0.000 0.627 39 A CB -1.114 17.642 19.000 -0.406 0.000 0.818 39 A HN 0.468 nan 8.150 nan 0.000 0.445 40 A N -0.437 122.284 122.820 -0.166 0.000 1.933 40 A HA -0.182 4.140 4.320 0.003 0.000 0.218 40 A C 2.027 179.561 177.584 -0.084 0.000 1.175 40 A CA 1.743 53.714 52.037 -0.111 0.000 0.628 40 A CB -0.534 18.437 19.000 -0.048 0.000 0.814 40 A HN 0.700 nan 8.150 nan 0.000 0.444 41 E N -0.009 120.143 120.200 -0.080 0.000 2.153 41 E HA -0.155 4.197 4.350 0.003 0.000 0.194 41 E C 1.421 177.987 176.600 -0.056 0.000 0.988 41 E CA 0.998 57.366 56.400 -0.053 0.000 0.811 41 E CB -0.178 29.495 29.700 -0.044 0.000 0.746 41 E HN 0.646 nan 8.360 nan 0.000 0.466 42 L N -0.667 120.495 121.223 -0.101 0.000 2.599 42 L HA 0.178 4.519 4.340 0.003 0.000 0.230 42 L C 1.481 178.311 176.870 -0.066 0.000 1.141 42 L CA 0.506 55.299 54.840 -0.079 0.000 0.877 42 L CB 0.320 42.315 42.059 -0.108 0.000 1.009 42 L HN 0.434 nan 8.230 nan 0.000 0.447 43 G N -0.487 108.262 108.800 -0.085 0.000 2.179 43 G HA2 -0.233 3.729 3.960 0.003 0.000 0.220 43 G HA3 -0.233 3.729 3.960 0.003 0.000 0.220 43 G C 0.441 175.278 174.900 -0.106 0.000 0.990 43 G CA -0.166 44.901 45.100 -0.055 0.000 0.646 43 G HN 0.449 nan 8.290 nan 0.000 0.517 44 A N 0.397 123.053 122.820 -0.274 0.000 2.498 44 A HA 0.598 4.920 4.320 0.003 0.000 0.239 44 A C 0.805 178.301 177.584 -0.147 0.000 1.068 44 A CA 0.363 52.174 52.037 -0.377 0.000 0.766 44 A CB 0.106 18.481 19.000 -1.042 0.000 1.003 44 A HN 0.529 nan 8.150 nan 0.000 0.497 45 R N 1.395 121.878 120.500 -0.029 0.000 2.272 45 R HA 0.429 4.770 4.340 0.003 0.000 0.334 45 R C 0.056 176.474 176.300 0.197 0.000 1.117 45 R CA 0.447 56.602 56.100 0.091 0.000 0.966 45 R CB 0.476 30.833 30.300 0.095 0.000 1.049 45 R HN 0.746 nan 8.270 nan 0.000 0.477 46 A N 1.865 124.777 122.820 0.153 0.000 2.380 46 A HA 0.888 5.210 4.320 0.003 0.000 0.315 46 A C -0.961 176.608 177.584 -0.024 0.000 1.101 46 A CA -0.684 51.411 52.037 0.097 0.000 0.771 46 A CB 1.794 20.825 19.000 0.051 0.000 1.287 46 A HN 0.649 nan 8.150 nan 0.000 0.436 47 A N 0.451 123.124 122.820 -0.246 0.000 2.449 47 A HA 0.690 5.012 4.320 0.003 0.000 0.302 47 A C -1.260 176.120 177.584 -0.340 0.000 1.048 47 A CA -0.438 51.355 52.037 -0.405 0.000 0.708 47 A CB 1.501 19.978 19.000 -0.872 0.000 1.274 47 A HN 1.225 nan 8.150 nan 0.000 0.410 48 V N 2.260 122.011 119.914 -0.270 0.000 2.417 48 V HA 0.435 4.557 4.120 0.003 0.000 0.291 48 V C -0.257 175.690 176.094 -0.245 0.000 1.024 48 V CA -0.528 61.633 62.300 -0.232 0.000 0.861 48 V CB 1.539 33.271 31.823 -0.152 0.000 0.985 48 V HN 0.672 nan 8.190 nan 0.000 0.436 49 V N 4.009 123.770 119.914 -0.256 0.000 2.407 49 V HA 0.605 4.727 4.120 0.003 0.000 0.278 49 V C -0.207 175.792 176.094 -0.159 0.000 1.037 49 V CA -0.402 61.753 62.300 -0.241 0.000 0.900 49 V CB 1.499 33.148 31.823 -0.289 0.000 0.983 49 V HN 0.951 nan 8.190 nan 0.000 0.459 50 E N 2.798 122.928 120.200 -0.117 0.000 2.274 50 E HA 0.391 4.743 4.350 0.003 0.000 0.269 50 E C 0.426 177.007 176.600 -0.031 0.000 0.891 50 E CA -0.076 56.290 56.400 -0.057 0.000 0.784 50 E CB 2.075 31.748 29.700 -0.046 0.000 1.225 50 E HN 0.575 nan 8.360 nan 0.000 0.412 51 S N 2.836 118.559 115.700 0.038 0.000 2.501 51 S HA 0.139 4.611 4.470 0.003 0.000 0.220 51 S C 0.520 175.009 174.600 -0.185 0.000 0.997 51 S CA 0.576 58.779 58.200 0.004 0.000 0.919 51 S CB -0.077 63.228 63.200 0.174 0.000 0.778 51 S HN 0.598 nan 8.310 nan 0.000 0.523 52 H N 0.689 119.757 119.070 -0.003 0.000 5.185 52 H HA 0.571 5.127 4.556 0.001 0.000 0.179 52 H C -0.656 174.664 175.328 -0.014 0.000 1.316 52 H CA -0.619 55.427 56.048 -0.003 0.000 0.320 52 H CB 0.309 30.073 29.762 0.003 0.000 1.613 52 H HN 0.015 nan 8.280 nan 0.000 0.308 53 K N 1.473 121.954 120.400 0.135 0.000 2.206 53 K HA 0.360 4.682 4.320 0.003 0.000 0.264 53 K C -0.781 175.825 176.600 0.010 0.000 0.967 53 K CA -0.395 55.921 56.287 0.048 0.000 0.844 53 K CB 1.616 34.136 32.500 0.033 0.000 1.099 53 K HN 0.162 nan 8.250 nan 0.000 0.441 54 L N 1.434 122.656 121.223 -0.001 0.000 2.514 54 L HA -0.048 4.293 4.340 0.003 0.000 0.280 54 L C 1.418 178.243 176.870 -0.074 0.000 1.223 54 L CA 1.063 55.888 54.840 -0.025 0.000 0.864 54 L CB 0.084 42.153 42.059 0.017 0.000 1.118 54 L HN 1.115 nan 8.230 nan 0.000 0.494 55 G N 1.084 109.775 108.800 -0.182 0.000 2.232 55 G HA2 -0.069 3.893 3.960 0.003 0.000 0.226 55 G HA3 -0.069 3.893 3.960 0.003 0.000 0.226 55 G C 0.684 175.458 174.900 -0.211 0.000 0.996 55 G CA -0.127 44.782 45.100 -0.318 0.000 0.626 55 G HN 1.459 nan 8.290 nan 0.000 0.509 56 G N -0.776 107.948 108.800 -0.126 0.000 2.564 56 G HA2 -0.115 3.847 3.960 0.003 0.000 0.273 56 G HA3 -0.115 3.847 3.960 0.003 0.000 0.273 56 G C 1.054 175.901 174.900 -0.087 0.000 1.242 56 G CA 1.455 46.501 45.100 -0.090 0.000 0.951 56 G HN 1.325 nan 8.290 nan 0.000 0.564 57 T N -0.050 114.466 114.554 -0.064 0.000 2.737 57 T HA -0.185 4.167 4.350 0.003 0.000 0.265 57 T C 2.547 177.203 174.700 -0.072 0.000 1.038 57 T CA 2.891 64.963 62.100 -0.048 0.000 1.144 57 T CB -0.797 68.066 68.868 -0.007 0.000 0.866 57 T HN 1.273 nan 8.240 nan 0.000 0.434 58 C N 1.465 120.719 119.300 -0.078 0.000 2.393 58 C HA -0.083 4.378 4.460 0.003 0.000 0.276 58 C C 2.672 177.582 174.990 -0.133 0.000 1.215 58 C CA 0.800 59.767 59.018 -0.084 0.000 1.743 58 C CB -1.287 26.405 27.740 -0.080 0.000 2.044 58 C HN 0.362 nan 8.230 nan 0.000 0.464 59 V N 1.892 121.708 119.914 -0.163 0.000 2.379 59 V HA -0.111 4.010 4.120 0.003 0.000 0.245 59 V C 2.448 178.424 176.094 -0.197 0.000 1.044 59 V CA 2.365 64.555 62.300 -0.183 0.000 1.036 59 V CB -0.714 30.999 31.823 -0.183 0.000 0.664 59 V HN 0.617 nan 8.190 nan 0.000 0.453 60 N N 0.154 118.751 118.700 -0.171 0.000 2.368 60 N HA 0.012 4.754 4.740 0.003 0.000 0.178 60 N C 1.063 176.427 175.510 -0.243 0.000 1.021 60 N CA 1.665 54.619 53.050 -0.159 0.000 0.875 60 N CB 1.049 39.484 38.487 -0.087 0.000 1.020 60 N HN 0.527 nan 8.380 nan 0.000 0.433 61 V N -3.307 116.457 119.914 -0.250 0.000 3.047 61 V HA 0.669 4.791 4.120 0.003 0.000 0.374 61 V C 0.318 176.289 176.094 -0.207 0.000 1.399 61 V CA -0.270 61.853 62.300 -0.295 0.000 1.251 61 V CB 0.560 32.410 31.823 0.046 0.000 1.228 61 V HN 0.138 nan 8.190 nan 0.000 0.589 62 G N -0.374 108.261 108.800 -0.275 0.000 3.321 62 G HA2 0.259 4.221 3.960 0.003 0.000 0.169 62 G HA3 0.259 4.221 3.960 0.003 0.000 0.169 62 G C 0.827 175.698 174.900 -0.048 0.000 1.153 62 G CA 0.615 45.685 45.100 -0.050 0.000 1.007 62 G HN 0.208 nan 8.290 nan 0.000 0.668 63 C N -0.033 119.268 119.300 0.001 0.000 2.349 63 C HA -0.098 4.364 4.460 0.003 0.000 0.274 63 C C 2.908 177.874 174.990 -0.039 0.000 1.178 63 C CA 1.191 60.214 59.018 0.009 0.000 1.769 63 C CB -1.442 26.303 27.740 0.008 0.000 2.047 63 C HN 0.287 nan 8.230 nan 0.000 0.448 64 V N 2.528 122.394 119.914 -0.080 0.000 2.244 64 V HA -0.116 4.006 4.120 0.003 0.000 0.244 64 V C 0.187 176.257 176.094 -0.041 0.000 1.042 64 V CA 2.601 64.865 62.300 -0.061 0.000 1.006 64 V CB -1.911 29.831 31.823 -0.137 0.000 0.641 64 V HN 0.410 nan 8.190 nan 0.000 0.446 65 P HA -0.168 nan 4.420 nan 0.000 0.221 65 P C 1.579 178.976 177.300 0.163 0.000 1.150 65 P CA 1.327 64.364 63.100 -0.105 0.000 0.800 65 P CB -0.074 31.334 31.700 -0.486 0.000 0.787 66 K N 1.404 121.910 120.400 0.177 0.000 2.032 66 K HA -0.193 4.129 4.320 0.003 0.000 0.209 66 K C 2.104 178.817 176.600 0.189 0.000 1.048 66 K CA 1.838 58.342 56.287 0.362 0.000 0.927 66 K CB -0.507 32.167 32.500 0.289 0.000 0.712 66 K HN -0.109 nan 8.250 nan 0.000 0.441 67 K N 0.694 121.112 120.400 0.029 0.000 2.097 67 K HA -0.050 4.272 4.320 0.003 0.000 0.206 67 K C 2.005 178.669 176.600 0.106 0.000 1.049 67 K CA 1.200 57.444 56.287 -0.071 0.000 0.933 67 K CB -0.267 32.099 32.500 -0.223 0.000 0.717 67 K HN 0.015 nan 8.250 nan 0.000 0.442 68 V N 0.775 120.765 119.914 0.125 0.000 2.332 68 V HA -0.278 3.844 4.120 0.003 0.000 0.248 68 V C 2.321 178.486 176.094 0.119 0.000 1.055 68 V CA 1.751 64.123 62.300 0.120 0.000 1.038 68 V CB -0.481 31.416 31.823 0.123 0.000 0.651 68 V HN 0.353 nan 8.190 nan 0.000 0.450 69 M N -1.699 118.006 119.600 0.177 0.000 2.229 69 M HA -0.140 4.342 4.480 0.003 0.000 0.264 69 M C 1.942 178.349 176.300 0.178 0.000 1.063 69 M CA 1.319 56.711 55.300 0.154 0.000 1.114 69 M CB -1.276 31.494 32.600 0.282 0.000 1.387 69 M HN 0.625 nan 8.290 nan 0.000 0.420 70 W N 2.481 123.806 121.300 0.042 0.000 2.358 70 W HA -0.173 4.488 4.660 0.003 0.000 0.303 70 W C 1.944 178.478 176.519 0.026 0.000 1.208 70 W CA 1.541 58.910 57.345 0.041 0.000 1.274 70 W CB -0.381 29.050 29.460 -0.048 0.000 1.138 70 W HN 0.254 nan 8.180 nan 0.000 0.515 71 N N -0.365 118.405 118.700 0.117 0.000 2.149 71 N HA -0.160 4.582 4.740 0.003 0.000 0.188 71 N C 1.570 177.025 175.510 -0.092 0.000 1.019 71 N CA 2.321 55.346 53.050 -0.041 0.000 0.857 71 N CB -0.996 37.552 38.487 0.103 0.000 0.997 71 N HN 0.179 nan 8.380 nan 0.000 0.426 72 T N 1.044 115.559 114.554 -0.066 0.000 2.708 72 T HA -0.063 4.289 4.350 0.003 0.000 0.266 72 T C 2.013 176.566 174.700 -0.245 0.000 1.037 72 T CA 1.435 63.464 62.100 -0.119 0.000 1.146 72 T CB -0.399 68.395 68.868 -0.123 0.000 0.865 72 T HN 0.335 nan 8.240 nan 0.000 0.435 73 A N 1.086 123.742 122.820 -0.273 0.000 1.978 73 A HA -0.058 4.264 4.320 0.003 0.000 0.220 73 A C 2.569 179.858 177.584 -0.492 0.000 1.170 73 A CA 1.319 53.143 52.037 -0.355 0.000 0.636 73 A CB -1.024 17.846 19.000 -0.217 0.000 0.810 73 A HN 0.374 nan 8.150 nan 0.000 0.448 74 V N -0.520 119.027 119.914 -0.612 0.000 2.407 74 V HA -0.266 3.856 4.120 0.003 0.000 0.248 74 V C 2.356 177.768 176.094 -1.136 0.000 1.055 74 V CA 1.975 63.742 62.300 -0.889 0.000 1.049 74 V CB -1.124 30.098 31.823 -1.001 0.000 0.662 74 V HN 0.659 nan 8.190 nan 0.000 0.455 75 H N 0.736 119.365 119.070 -0.735 0.000 2.422 75 H HA -0.138 4.420 4.556 0.003 0.000 0.298 75 H C 2.600 177.659 175.328 -0.449 0.000 1.098 75 H CA 1.949 57.719 56.048 -0.462 0.000 1.315 75 H CB -0.049 29.614 29.762 -0.166 0.000 1.382 75 H HN 0.644 nan 8.280 nan 0.000 0.523 76 S N 0.351 115.814 115.700 -0.394 0.000 2.399 76 S HA -0.129 4.342 4.470 0.003 0.000 0.231 76 S C 1.848 176.038 174.600 -0.683 0.000 1.022 76 S CA 1.218 59.139 58.200 -0.464 0.000 0.983 76 S CB -0.074 62.885 63.200 -0.401 0.000 0.803 76 S HN 0.476 nan 8.310 nan 0.000 0.480 77 E N 0.429 120.274 120.200 -0.590 0.000 2.170 77 E HA 0.132 4.484 4.350 0.003 0.000 0.191 77 E C 1.596 178.085 176.600 -0.186 0.000 0.981 77 E CA 0.713 56.875 56.400 -0.397 0.000 0.830 77 E CB -0.273 29.269 29.700 -0.263 0.000 0.775 77 E HN 0.681 nan 8.360 nan 0.000 0.470 78 F N 1.012 120.838 119.950 -0.207 0.000 2.091 78 F HA -0.313 4.216 4.527 0.003 0.000 0.299 78 F C 2.679 178.405 175.800 -0.125 0.000 1.103 78 F CA 0.778 58.682 58.000 -0.161 0.000 1.228 78 F CB -0.364 38.443 39.000 -0.322 0.000 0.984 78 F HN 0.060 nan 8.300 nan 0.000 0.477 79 M N 0.087 119.651 119.600 -0.060 0.000 2.106 79 M HA -0.259 4.223 4.480 0.003 0.000 0.259 79 M C 2.229 178.564 176.300 0.058 0.000 1.068 79 M CA 1.892 57.148 55.300 -0.074 0.000 1.100 79 M CB -0.408 32.100 32.600 -0.154 0.000 1.351 79 M HN 0.158 nan 8.290 nan 0.000 0.404 80 H N -0.190 118.945 119.070 0.107 0.000 2.462 80 H HA -0.015 4.542 4.556 0.003 0.000 0.292 80 H C 1.016 176.459 175.328 0.190 0.000 1.049 80 H CA 1.219 57.341 56.048 0.123 0.000 1.334 80 H CB -0.469 29.342 29.762 0.081 0.000 1.404 80 H HN 0.496 nan 8.280 nan 0.000 0.544 81 D N -0.639 119.977 120.400 0.359 0.000 2.339 81 D HA -0.035 4.607 4.640 0.003 0.000 0.217 81 D C 1.742 178.303 176.300 0.435 0.000 1.050 81 D CA 0.184 54.421 54.000 0.395 0.000 0.856 81 D CB -0.088 41.015 40.800 0.505 0.000 0.922 81 D HN 0.366 nan 8.370 nan 0.000 0.518 82 H N 1.470 120.694 119.070 0.257 0.000 2.353 82 H HA 0.023 4.581 4.556 0.003 0.000 0.300 82 H C 2.000 177.531 175.328 0.339 0.000 1.090 82 H CA 1.778 57.982 56.048 0.259 0.000 1.327 82 H CB 0.090 29.930 29.762 0.131 0.000 1.383 82 H HN 0.096 nan 8.280 nan 0.000 0.508 83 A N 0.284 123.264 122.820 0.267 0.000 1.933 83 A HA -0.159 4.163 4.320 0.003 0.000 0.218 83 A C 2.013 179.662 177.584 0.107 0.000 1.175 83 A CA 1.792 53.924 52.037 0.159 0.000 0.628 83 A CB -0.334 18.746 19.000 0.133 0.000 0.814 83 A HN 0.433 nan 8.150 nan 0.000 0.444 84 D N -1.467 119.007 120.400 0.122 0.000 2.178 84 D HA -0.125 4.517 4.640 0.003 0.000 0.201 84 D C 0.913 177.162 176.300 -0.085 0.000 0.980 84 D CA 1.146 55.150 54.000 0.006 0.000 0.842 84 D CB -0.295 40.499 40.800 -0.010 0.000 0.948 84 D HN 0.648 nan 8.370 nan 0.000 0.472 85 Y N -0.447 119.893 120.300 0.066 0.000 2.462 85 Y HA 0.261 4.813 4.550 0.003 0.000 0.293 85 Y C 1.671 177.540 175.900 -0.052 0.000 1.195 85 Y CA 0.323 58.468 58.100 0.075 0.000 1.276 85 Y CB 0.622 39.205 38.460 0.205 0.000 1.082 85 Y HN 0.049 nan 8.280 nan 0.000 0.514 86 G N -0.972 107.805 108.800 -0.038 0.000 2.159 86 G HA2 -0.260 3.701 3.960 0.003 0.000 0.227 86 G HA3 -0.260 3.701 3.960 0.003 0.000 0.227 86 G C -0.115 174.523 174.900 -0.436 0.000 0.986 86 G CA -0.454 44.479 45.100 -0.279 0.000 0.651 86 G HN 0.198 nan 8.290 nan 0.000 0.523 87 F N 1.716 121.552 119.950 -0.189 0.000 2.440 87 F HA 0.616 5.145 4.527 0.003 0.000 0.328 87 F C -1.566 174.191 175.800 -0.072 0.000 1.070 87 F CA -2.539 55.326 58.000 -0.225 0.000 1.011 87 F CB 1.237 39.809 39.000 -0.713 0.000 1.226 87 F HN -0.182 nan 8.300 nan 0.000 0.491 88 P HA -0.017 nan 4.420 nan 0.000 0.265 88 P C -0.216 177.210 177.300 0.210 0.000 1.193 88 P CA 0.096 63.288 63.100 0.153 0.000 0.765 88 P CB 1.061 32.846 31.700 0.141 0.000 0.823 89 S N 1.343 117.141 115.700 0.163 0.000 2.606 89 S HA 0.337 4.809 4.470 0.003 0.000 0.257 89 S C 0.065 174.768 174.600 0.173 0.000 1.327 89 S CA 0.103 58.410 58.200 0.178 0.000 0.984 89 S CB -0.106 63.172 63.200 0.128 0.000 0.941 89 S HN 0.741 nan 8.310 nan 0.000 0.576 90 C N 0.617 120.018 119.300 0.168 0.000 3.275 90 C HA 0.657 5.119 4.460 0.003 0.000 0.340 90 C C -1.762 173.320 174.990 0.152 0.000 1.366 90 C CA -0.444 58.659 59.018 0.142 0.000 1.227 90 C CB 1.490 29.308 27.740 0.130 0.000 1.512 90 C HN 1.016 nan 8.230 nan 0.000 0.461 91 E N 1.367 121.646 120.200 0.130 0.000 2.335 91 E HA 0.141 4.493 4.350 0.003 0.000 0.200 91 E C -0.731 175.933 176.600 0.106 0.000 1.195 91 E CA 0.515 57.000 56.400 0.142 0.000 0.451 91 E CB -0.811 28.988 29.700 0.165 0.000 0.859 91 E HN 1.154 nan 8.360 nan 0.000 0.430 92 G N 0.866 109.723 108.800 0.095 0.000 2.511 92 G HA2 0.635 4.597 3.960 0.003 0.000 0.316 92 G HA3 0.635 4.597 3.960 0.003 0.000 0.316 92 G C -0.216 174.746 174.900 0.104 0.000 1.210 92 G CA 0.009 45.160 45.100 0.085 0.000 0.969 92 G HN 0.370 nan 8.290 nan 0.000 0.492 93 K N 0.203 120.657 120.400 0.089 0.000 2.338 93 K HA 0.447 4.769 4.320 0.003 0.000 0.290 93 K C -0.121 176.559 176.600 0.133 0.000 1.069 93 K CA -0.791 55.563 56.287 0.111 0.000 0.941 93 K CB 0.046 32.587 32.500 0.069 0.000 1.023 93 K HN 0.557 nan 8.250 nan 0.000 0.477 94 F N 2.738 122.709 119.950 0.035 0.000 2.628 94 F HA 0.117 4.646 4.527 0.003 0.000 0.362 94 F C 0.587 176.422 175.800 0.058 0.000 1.148 94 F CA 0.303 58.325 58.000 0.036 0.000 1.352 94 F CB 0.786 39.818 39.000 0.054 0.000 1.081 94 F HN 0.657 nan 8.300 nan 0.000 0.605 95 N N 7.039 125.242 118.700 -0.829 0.000 2.626 95 N HA -0.003 4.738 4.740 0.003 0.000 0.249 95 N C 0.733 175.691 175.510 -0.920 0.000 1.021 95 N CA -0.529 52.151 53.050 -0.617 0.000 0.886 95 N CB -0.088 38.217 38.487 -0.303 0.000 1.149 95 N HN 0.895 nan 8.380 nan 0.000 0.517 96 W N 4.428 125.157 121.300 -0.952 0.000 2.305 96 W HA -0.180 4.482 4.660 0.003 0.000 0.308 96 W C 1.128 177.478 176.519 -0.281 0.000 1.226 96 W CA 1.350 58.385 57.345 -0.517 0.000 1.253 96 W CB 0.146 29.524 29.460 -0.136 0.000 1.146 96 W HN 0.571 nan 8.180 nan 0.000 0.507 97 R N -0.215 120.307 120.500 0.036 0.000 2.127 97 R HA -0.166 4.175 4.340 0.003 0.000 0.238 97 R C 2.087 178.340 176.300 -0.078 0.000 1.134 97 R CA 1.739 57.854 56.100 0.025 0.000 0.975 97 R CB -0.711 29.596 30.300 0.013 0.000 0.865 97 R HN 0.111 nan 8.270 nan 0.000 0.447 98 V N 1.051 120.874 119.914 -0.151 0.000 2.255 98 V HA -0.262 3.860 4.120 0.003 0.000 0.247 98 V C 2.149 178.167 176.094 -0.126 0.000 1.051 98 V CA 1.807 64.027 62.300 -0.133 0.000 1.018 98 V CB -0.368 31.362 31.823 -0.155 0.000 0.641 98 V HN 0.253 nan 8.190 nan 0.000 0.445 99 I N -0.240 120.226 120.570 -0.174 0.000 2.500 99 I HA -0.127 4.045 4.170 0.003 0.000 0.252 99 I C 2.375 178.398 176.117 -0.157 0.000 1.142 99 I CA 1.566 62.783 61.300 -0.139 0.000 1.451 99 I CB -0.543 37.403 38.000 -0.090 0.000 1.093 99 I HN 0.230 nan 8.210 nan 0.000 0.430 100 K N 0.462 120.728 120.400 -0.223 0.000 2.032 100 K HA -0.276 4.046 4.320 0.003 0.000 0.209 100 K C 2.220 178.797 176.600 -0.037 0.000 1.048 100 K CA 1.874 58.078 56.287 -0.139 0.000 0.927 100 K CB -0.377 32.094 32.500 -0.048 0.000 0.712 100 K HN 0.394 nan 8.250 nan 0.000 0.441 101 E N 1.233 121.415 120.200 -0.030 0.000 2.077 101 E HA -0.226 4.126 4.350 0.003 0.000 0.193 101 E C 1.656 178.255 176.600 -0.001 0.000 0.989 101 E CA 1.564 57.960 56.400 -0.006 0.000 0.800 101 E CB 0.059 29.751 29.700 -0.013 0.000 0.746 101 E HN 0.343 nan 8.360 nan 0.000 0.452 102 K N 0.213 120.604 120.400 -0.017 0.000 2.097 102 K HA -0.121 4.201 4.320 0.003 0.000 0.205 102 K C 2.525 179.149 176.600 0.040 0.000 1.050 102 K CA 1.089 57.374 56.287 -0.003 0.000 0.938 102 K CB -0.178 32.303 32.500 -0.032 0.000 0.718 102 K HN 0.025 nan 8.250 nan 0.000 0.442 103 R N 1.252 121.771 120.500 0.033 0.000 2.073 103 R HA -0.160 4.182 4.340 0.003 0.000 0.234 103 R C 1.426 177.778 176.300 0.087 0.000 1.134 103 R CA 1.894 58.043 56.100 0.082 0.000 0.952 103 R CB -0.068 30.260 30.300 0.046 0.000 0.850 103 R HN 0.125 nan 8.270 nan 0.000 0.433 104 D N 0.214 120.645 120.400 0.052 0.000 2.144 104 D HA -0.137 4.505 4.640 0.003 0.000 0.199 104 D C 1.681 178.009 176.300 0.047 0.000 0.984 104 D CA 1.480 55.505 54.000 0.042 0.000 0.834 104 D CB -0.223 40.600 40.800 0.039 0.000 0.955 104 D HN 0.383 nan 8.370 nan 0.000 0.465 105 A N 0.159 123.015 122.820 0.061 0.000 1.898 105 A HA -0.218 4.104 4.320 0.003 0.000 0.216 105 A C 2.176 179.831 177.584 0.119 0.000 1.181 105 A CA 1.097 53.175 52.037 0.068 0.000 0.620 105 A CB -0.952 18.080 19.000 0.053 0.000 0.819 105 A HN 0.280 nan 8.150 nan 0.000 0.442 106 Y N 0.948 121.242 120.300 -0.010 0.000 2.181 106 Y HA -0.173 4.379 4.550 0.003 0.000 0.288 106 Y C 2.374 178.273 175.900 -0.002 0.000 1.146 106 Y CA 1.494 59.590 58.100 -0.007 0.000 1.164 106 Y CB -0.686 37.768 38.460 -0.010 0.000 0.982 106 Y HN 0.067 nan 8.280 nan 0.000 0.515 107 V N -0.632 119.227 119.914 -0.090 0.000 2.332 107 V HA -0.328 3.794 4.120 0.003 0.000 0.248 107 V C 2.508 178.548 176.094 -0.091 0.000 1.055 107 V CA 2.188 64.384 62.300 -0.172 0.000 1.038 107 V CB -1.075 30.680 31.823 -0.113 0.000 0.651 107 V HN 0.381 nan 8.190 nan 0.000 0.450 108 S N -0.609 115.076 115.700 -0.025 0.000 2.368 108 S HA -0.193 4.279 4.470 0.003 0.000 0.225 108 S C 2.073 176.673 174.600 -0.000 0.000 1.030 108 S CA 1.440 59.638 58.200 -0.004 0.000 0.999 108 S CB -0.320 62.888 63.200 0.014 0.000 0.844 108 S HN 0.545 nan 8.310 nan 0.000 0.459 109 R N 0.721 121.230 120.500 0.016 0.000 2.091 109 R HA -0.029 4.313 4.340 0.003 0.000 0.238 109 R C 2.211 178.504 176.300 -0.012 0.000 1.136 109 R CA 1.174 57.291 56.100 0.028 0.000 0.959 109 R CB -0.589 29.772 30.300 0.102 0.000 0.856 109 R HN 0.377 nan 8.270 nan 0.000 0.437 110 L N 0.487 121.671 121.223 -0.065 0.000 2.093 110 L HA -0.150 4.192 4.340 0.003 0.000 0.208 110 L C 1.780 178.699 176.870 0.082 0.000 1.085 110 L CA 1.378 56.198 54.840 -0.033 0.000 0.755 110 L CB -0.571 41.421 42.059 -0.110 0.000 0.904 110 L HN 0.283 nan 8.230 nan 0.000 0.435 111 N N 0.249 118.973 118.700 0.040 0.000 2.104 111 N HA -0.208 4.534 4.740 0.003 0.000 0.190 111 N C 1.932 177.473 175.510 0.051 0.000 1.024 111 N CA 1.243 54.329 53.050 0.060 0.000 0.853 111 N CB -0.218 38.281 38.487 0.020 0.000 1.008 111 N HN 0.331 nan 8.380 nan 0.000 0.424 112 A N 0.961 123.788 122.820 0.012 0.000 1.930 112 A HA -0.062 4.260 4.320 0.003 0.000 0.217 112 A C 2.141 179.702 177.584 -0.038 0.000 1.175 112 A CA 0.915 52.948 52.037 -0.006 0.000 0.627 112 A CB -0.547 18.447 19.000 -0.010 0.000 0.815 112 A HN 0.193 nan 8.150 nan 0.000 0.443 113 I N -1.980 118.539 120.570 -0.085 0.000 2.179 113 I HA -0.284 3.888 4.170 0.003 0.000 0.242 113 I C 2.324 178.277 176.117 -0.274 0.000 1.088 113 I CA 1.504 62.679 61.300 -0.209 0.000 1.357 113 I CB -0.351 37.461 38.000 -0.314 0.000 1.051 113 I HN 0.421 nan 8.210 nan 0.000 0.409 114 Y N 0.263 120.538 120.300 -0.042 0.000 2.314 114 Y HA -0.240 4.312 4.550 0.003 0.000 0.293 114 Y C 2.735 178.610 175.900 -0.042 0.000 1.129 114 Y CA 1.241 59.315 58.100 -0.044 0.000 1.201 114 Y CB -0.277 38.154 38.460 -0.049 0.000 0.999 114 Y HN 0.208 nan 8.280 nan 0.000 0.541 115 Q N 0.765 120.609 119.800 0.073 0.000 2.061 115 Q HA -0.268 4.074 4.340 0.003 0.000 0.204 115 Q C 2.163 178.159 176.000 -0.007 0.000 0.984 115 Q CA 1.826 57.645 55.803 0.026 0.000 0.846 115 Q CB -0.333 28.413 28.738 0.013 0.000 0.902 115 Q HN 0.527 nan 8.270 nan 0.000 0.421 116 N N -0.249 118.431 118.700 -0.033 0.000 2.166 116 N HA -0.168 4.574 4.740 0.003 0.000 0.186 116 N C 1.272 176.741 175.510 -0.068 0.000 1.019 116 N CA 1.325 54.344 53.050 -0.052 0.000 0.856 116 N CB -0.118 38.330 38.487 -0.065 0.000 0.993 116 N HN 0.390 nan 8.380 nan 0.000 0.426 117 N N 0.440 119.094 118.700 -0.077 0.000 2.104 117 N HA -0.115 4.626 4.740 0.003 0.000 0.190 117 N C 1.870 177.350 175.510 -0.049 0.000 1.024 117 N CA 0.793 53.801 53.050 -0.070 0.000 0.853 117 N CB 0.019 38.467 38.487 -0.065 0.000 1.008 117 N HN 0.229 nan 8.380 nan 0.000 0.424 118 L N 0.369 121.580 121.223 -0.021 0.000 2.027 118 L HA -0.122 4.220 4.340 0.003 0.000 0.206 118 L C 2.343 179.178 176.870 -0.057 0.000 1.074 118 L CA 1.091 55.914 54.840 -0.030 0.000 0.745 118 L CB -0.794 41.258 42.059 -0.013 0.000 0.898 118 L HN 0.200 nan 8.230 nan 0.000 0.433 119 T N -0.399 114.126 114.554 -0.048 0.000 2.720 119 T HA -0.209 4.143 4.350 0.003 0.000 0.268 119 T C 1.924 176.549 174.700 -0.124 0.000 1.037 119 T CA 1.292 63.364 62.100 -0.045 0.000 1.144 119 T CB -0.111 68.745 68.868 -0.020 0.000 0.864 119 T HN 0.229 nan 8.240 nan 0.000 0.444 120 K N 0.863 121.168 120.400 -0.158 0.000 2.209 120 K HA 0.026 4.348 4.320 0.003 0.000 0.204 120 K C 2.178 178.479 176.600 -0.498 0.000 1.048 120 K CA 0.983 57.121 56.287 -0.248 0.000 0.940 120 K CB -0.007 32.404 32.500 -0.149 0.000 0.729 120 K HN 0.145 nan 8.250 nan 0.000 0.451 121 S N -0.393 115.083 115.700 -0.373 0.000 2.575 121 S HA 0.032 4.503 4.470 0.003 0.000 0.215 121 S C -0.561 173.845 174.600 -0.323 0.000 0.966 121 S CA -0.063 57.928 58.200 -0.348 0.000 0.911 121 S CB -0.166 62.950 63.200 -0.140 0.000 0.780 121 S HN 0.407 nan 8.310 nan 0.000 0.514 122 H N -0.355 118.716 119.070 0.001 0.000 2.839 122 H HA -0.129 4.429 4.556 0.003 0.000 0.298 122 H C -0.499 174.838 175.328 0.015 0.000 1.224 122 H CA 0.321 56.374 56.048 0.010 0.000 1.144 122 H CB -2.217 27.551 29.762 0.010 0.000 1.372 122 H HN 0.376 nan 8.280 nan 0.000 0.408 123 I N 1.290 121.887 120.570 0.044 0.000 2.315 123 I HA 0.080 4.252 4.170 0.003 0.000 0.291 123 I C 0.939 177.063 176.117 0.012 0.000 1.006 123 I CA -0.162 61.151 61.300 0.022 0.000 1.265 123 I CB 1.152 39.141 38.000 -0.018 0.000 1.387 123 I HN 0.293 nan 8.210 nan 0.000 0.475 124 E N 6.692 126.902 120.200 0.017 0.000 2.384 124 E HA 0.217 4.569 4.350 0.003 0.000 0.266 124 E C -0.855 175.696 176.600 -0.082 0.000 1.012 124 E CA -0.242 56.156 56.400 -0.003 0.000 0.901 124 E CB 0.777 30.503 29.700 0.044 0.000 0.967 124 E HN 0.449 nan 8.360 nan 0.000 0.435 125 I N 6.091 126.622 120.570 -0.064 0.000 2.330 125 I HA 0.247 4.419 4.170 0.003 0.000 0.289 125 I C -0.297 175.755 176.117 -0.108 0.000 1.001 125 I CA -0.519 60.728 61.300 -0.089 0.000 1.193 125 I CB 1.009 38.978 38.000 -0.051 0.000 1.345 125 I HN 0.403 nan 8.210 nan 0.000 0.461 126 I N 6.687 127.149 120.570 -0.180 0.000 2.307 126 I HA 0.328 4.500 4.170 0.003 0.000 0.289 126 I C 0.103 176.134 176.117 -0.144 0.000 1.021 126 I CA -0.620 60.559 61.300 -0.201 0.000 1.224 126 I CB 0.534 38.279 38.000 -0.424 0.000 1.376 126 I HN 0.406 nan 8.210 nan 0.000 0.470 127 R N 5.386 125.836 120.500 -0.083 0.000 2.221 127 R HA 0.739 5.081 4.340 0.003 0.000 0.327 127 R C 0.169 176.437 176.300 -0.053 0.000 1.033 127 R CA -0.374 55.688 56.100 -0.065 0.000 0.887 127 R CB 1.321 31.595 30.300 -0.043 0.000 1.057 127 R HN 0.947 nan 8.270 nan 0.000 0.455 128 G N 1.209 109.976 108.800 -0.056 0.000 2.369 128 G HA2 -0.097 3.865 3.960 0.003 0.000 0.293 128 G HA3 -0.097 3.865 3.960 0.003 0.000 0.293 128 G C -1.805 173.096 174.900 0.001 0.000 1.301 128 G CA -0.899 44.188 45.100 -0.021 0.000 0.913 128 G HN 0.634 nan 8.290 nan 0.000 0.540 129 H N 0.682 119.723 119.070 -0.048 0.000 2.604 129 H HA 0.659 5.220 4.556 0.007 0.000 0.306 129 H C 0.338 175.637 175.328 -0.048 0.000 1.075 129 H CA 0.374 56.402 56.048 -0.033 0.000 1.357 129 H CB 1.071 30.829 29.762 -0.007 0.000 1.426 129 H HN 0.899 nan 8.280 nan 0.000 0.470 130 A N 3.924 126.415 122.820 -0.548 0.000 2.327 130 A HA 0.661 4.983 4.320 0.003 0.000 0.283 130 A C -0.577 176.676 177.584 -0.551 0.000 1.127 130 A CA 0.033 51.803 52.037 -0.446 0.000 0.810 130 A CB 0.484 19.235 19.000 -0.415 0.000 1.066 130 A HN 0.838 nan 8.150 nan 0.000 0.492 131 A N 1.249 123.897 122.820 -0.286 0.000 2.515 131 A HA 0.720 5.042 4.320 0.003 0.000 0.298 131 A C -0.735 176.735 177.584 -0.191 0.000 1.059 131 A CA -0.619 51.316 52.037 -0.170 0.000 0.698 131 A CB 0.569 19.603 19.000 0.056 0.000 1.289 131 A HN 0.670 nan 8.150 nan 0.000 0.404 132 F N 1.283 121.239 119.950 0.011 0.000 2.496 132 F HA 0.389 4.917 4.527 0.003 0.000 0.344 132 F C 1.755 177.573 175.800 0.029 0.000 1.155 132 F CA 1.231 59.243 58.000 0.020 0.000 1.302 132 F CB 1.160 40.168 39.000 0.013 0.000 1.159 132 F HN 0.680 nan 8.300 nan 0.000 0.595 133 T N -2.149 112.536 114.554 0.219 0.000 2.923 133 T HA 0.270 4.622 4.350 0.003 0.000 0.281 133 T C 0.609 175.384 174.700 0.124 0.000 0.995 133 T CA -0.840 61.343 62.100 0.138 0.000 0.985 133 T CB 1.353 70.277 68.868 0.095 0.000 1.114 133 T HN 0.437 nan 8.240 nan 0.000 0.548 134 S N 0.350 116.097 115.700 0.079 0.000 2.671 134 S HA 0.100 4.572 4.470 0.003 0.000 0.220 134 S C 0.134 174.761 174.600 0.045 0.000 0.951 134 S CA -0.379 57.854 58.200 0.055 0.000 0.932 134 S CB -0.473 62.751 63.200 0.039 0.000 0.777 134 S HN 0.655 nan 8.310 nan 0.000 0.508 135 D N 3.061 123.495 120.400 0.057 0.000 2.458 135 D HA 0.049 4.691 4.640 0.003 0.000 0.243 135 D C -1.673 174.649 176.300 0.038 0.000 1.146 135 D CA -1.013 53.014 54.000 0.045 0.000 0.877 135 D CB 0.931 41.762 40.800 0.053 0.000 1.176 135 D HN 0.062 nan 8.370 nan 0.000 0.461 136 P HA -0.132 nan 4.420 nan 0.000 0.216 136 P C 0.419 177.727 177.300 0.014 0.000 1.150 136 P CA 1.118 64.225 63.100 0.012 0.000 0.837 136 P CB 0.299 32.003 31.700 0.008 0.000 0.786 137 K N 0.800 121.215 120.400 0.025 0.000 2.349 137 K HA 0.166 4.487 4.320 0.003 0.000 0.289 137 K C -2.355 174.282 176.600 0.061 0.000 1.064 137 K CA -2.069 54.238 56.287 0.033 0.000 0.947 137 K CB -0.067 32.454 32.500 0.036 0.000 1.007 137 K HN -0.079 nan 8.250 nan 0.000 0.478 138 P HA -0.025 nan 4.420 nan 0.000 0.261 138 P C -1.324 176.087 177.300 0.184 0.000 1.183 138 P CA 0.298 63.475 63.100 0.129 0.000 0.761 138 P CB 0.851 32.613 31.700 0.102 0.000 0.785 139 T N 3.805 118.497 114.554 0.230 0.000 2.956 139 T HA 0.621 4.973 4.350 0.003 0.000 0.312 139 T C -0.083 174.714 174.700 0.162 0.000 1.151 139 T CA -0.535 61.670 62.100 0.175 0.000 1.024 139 T CB 0.797 69.737 68.868 0.119 0.000 1.140 139 T HN 0.274 nan 8.240 nan 0.000 0.473 140 I N -0.716 119.897 120.570 0.072 0.000 2.797 140 I HA 0.849 5.021 4.170 0.003 0.000 0.307 140 I C -0.487 175.666 176.117 0.061 0.000 1.033 140 I CA -0.933 60.332 61.300 -0.059 0.000 1.071 140 I CB 2.201 40.049 38.000 -0.254 0.000 1.255 140 I HN 0.558 nan 8.210 nan 0.000 0.445 141 E N 3.136 123.352 120.200 0.027 0.000 2.222 141 E HA 0.659 5.011 4.350 0.003 0.000 0.267 141 E C -1.867 174.779 176.600 0.077 0.000 0.884 141 E CA -0.819 55.628 56.400 0.079 0.000 0.764 141 E CB 2.507 32.237 29.700 0.050 0.000 1.169 141 E HN 0.601 nan 8.360 nan 0.000 0.413 142 V N 3.112 123.122 119.914 0.161 0.000 2.524 142 V HA 0.170 4.292 4.120 0.003 0.000 0.297 142 V C -0.074 176.096 176.094 0.126 0.000 1.035 142 V CA -0.774 61.595 62.300 0.116 0.000 0.867 142 V CB 1.496 33.364 31.823 0.074 0.000 1.004 142 V HN 0.910 nan 8.190 nan 0.000 0.426 143 S N 3.543 119.293 115.700 0.083 0.000 3.614 143 S HA -0.202 4.270 4.470 0.003 0.000 0.360 143 S C 1.452 176.085 174.600 0.056 0.000 1.023 143 S CA 1.460 59.699 58.200 0.064 0.000 1.114 143 S CB -1.235 61.999 63.200 0.057 0.000 0.907 143 S HN 2.372 nan 8.310 nan 0.000 0.470 144 G N 0.039 108.869 108.800 0.051 0.000 2.155 144 G HA2 -0.349 3.613 3.960 0.003 0.000 0.257 144 G HA3 -0.349 3.613 3.960 0.003 0.000 0.257 144 G C -0.184 174.719 174.900 0.005 0.000 0.983 144 G CA 1.012 46.129 45.100 0.028 0.000 0.676 144 G HN 0.865 nan 8.290 nan 0.000 0.528 145 K N 0.238 120.642 120.400 0.007 0.000 2.207 145 K HA 0.630 4.952 4.320 0.003 0.000 0.255 145 K C 0.018 176.499 176.600 -0.198 0.000 0.941 145 K CA -0.902 55.319 56.287 -0.109 0.000 0.825 145 K CB 0.879 33.302 32.500 -0.128 0.000 1.119 145 K HN 0.115 nan 8.250 nan 0.000 0.430 146 K N 2.598 122.801 120.400 -0.328 0.000 2.156 146 K HA 0.348 4.669 4.320 0.003 0.000 0.254 146 K C -1.355 174.980 176.600 -0.442 0.000 0.950 146 K CA -0.693 55.459 56.287 -0.226 0.000 0.849 146 K CB 1.228 33.675 32.500 -0.088 0.000 1.100 146 K HN 0.412 nan 8.250 nan 0.000 0.434 147 Y N -0.467 119.866 120.300 0.055 0.000 2.492 147 Y HA 0.384 4.936 4.550 0.002 0.000 0.346 147 Y C 0.129 176.094 175.900 0.107 0.000 0.997 147 Y CA -0.828 57.338 58.100 0.110 0.000 1.025 147 Y CB 2.691 41.194 38.460 0.071 0.000 1.263 147 Y HN 0.502 nan 8.280 nan 0.000 0.454 148 T N 1.111 115.850 114.554 0.308 0.000 2.864 148 T HA 0.929 5.281 4.350 0.003 0.000 0.299 148 T C -1.650 173.212 174.700 0.271 0.000 1.166 148 T CA -0.380 61.858 62.100 0.229 0.000 1.007 148 T CB 1.391 70.349 68.868 0.149 0.000 1.219 148 T HN 1.012 nan 8.240 nan 0.000 0.506 149 A N 2.715 125.670 122.820 0.226 0.000 2.608 149 A HA 0.747 5.069 4.320 0.003 0.000 0.292 149 A C -2.511 175.174 177.584 0.169 0.000 1.066 149 A CA -1.068 51.118 52.037 0.247 0.000 0.676 149 A CB 1.077 20.281 19.000 0.340 0.000 1.277 149 A HN 0.557 nan 8.150 nan 0.000 0.413 150 P HA 0.026 nan 4.420 nan 0.000 0.233 150 P C -0.247 176.877 177.300 -0.294 0.000 1.167 150 P CA 1.173 64.199 63.100 -0.124 0.000 0.770 150 P CB -0.009 31.564 31.700 -0.211 0.000 0.837 151 H N -0.080 119.220 119.070 0.383 0.000 2.924 151 H HA 0.436 4.994 4.556 0.003 0.000 0.333 151 H C -0.287 175.391 175.328 0.584 0.000 0.979 151 H CA -0.615 55.780 56.048 0.579 0.000 1.326 151 H CB 1.624 31.736 29.762 0.583 0.000 1.600 151 H HN -0.006 nan 8.280 nan 0.000 0.520 152 I N 4.256 125.168 120.570 0.570 0.000 2.410 152 I HA 0.099 4.271 4.170 0.003 0.000 0.286 152 I C -0.602 175.756 176.117 0.402 0.000 1.009 152 I CA -0.849 60.669 61.300 0.364 0.000 1.111 152 I CB 2.263 40.440 38.000 0.294 0.000 1.262 152 I HN 0.176 nan 8.210 nan 0.000 0.443 153 L N 8.390 129.754 121.223 0.235 0.000 2.282 153 L HA 0.550 4.892 4.340 0.003 0.000 0.288 153 L C -0.541 176.397 176.870 0.114 0.000 1.033 153 L CA -0.022 54.953 54.840 0.226 0.000 0.807 153 L CB 0.964 43.065 42.059 0.069 0.000 1.209 153 L HN 0.386 nan 8.230 nan 0.000 0.423 154 I N 5.962 126.631 120.570 0.165 0.000 2.301 154 I HA 0.450 4.622 4.170 0.003 0.000 0.292 154 I C 0.447 176.618 176.117 0.089 0.000 1.046 154 I CA -0.006 61.368 61.300 0.122 0.000 1.282 154 I CB 1.168 39.274 38.000 0.178 0.000 1.409 154 I HN 0.819 nan 8.210 nan 0.000 0.484 155 A N 3.684 126.527 122.820 0.038 0.000 3.176 155 A HA 0.265 4.587 4.320 0.003 0.000 0.265 155 A C 0.881 178.473 177.584 0.013 0.000 0.936 155 A CA -0.351 51.705 52.037 0.032 0.000 1.033 155 A CB -0.337 18.671 19.000 0.013 0.000 1.158 155 A HN 0.727 nan 8.150 nan 0.000 0.485 156 T N -3.079 111.490 114.554 0.025 0.000 3.107 156 T HA 0.449 4.801 4.350 0.003 0.000 0.249 156 T C 1.292 176.007 174.700 0.025 0.000 1.096 156 T CA 0.934 63.043 62.100 0.016 0.000 1.012 156 T CB -0.202 68.678 68.868 0.021 0.000 0.977 156 T HN 2.009 nan 8.240 nan 0.000 0.527 157 G N 0.294 109.117 108.800 0.037 0.000 2.601 157 G HA2 0.246 4.207 3.960 0.003 0.000 0.252 157 G HA3 0.246 4.207 3.960 0.003 0.000 0.252 157 G C 0.053 174.984 174.900 0.051 0.000 1.294 157 G CA -0.360 44.765 45.100 0.041 0.000 0.912 157 G HN 1.222 nan 8.290 nan 0.000 0.574 158 G N -1.870 106.957 108.800 0.046 0.000 2.975 158 G HA2 0.984 4.946 3.960 0.003 0.000 0.291 158 G HA3 0.984 4.946 3.960 0.003 0.000 0.291 158 G C -0.347 174.568 174.900 0.025 0.000 1.334 158 G CA 0.176 45.302 45.100 0.044 0.000 0.843 158 G HN 1.917 nan 8.290 nan 0.000 0.548 159 M N -1.904 117.709 119.600 0.023 0.000 2.644 159 M HA 0.570 5.052 4.480 0.003 0.000 0.273 159 M C -3.250 173.062 176.300 0.020 0.000 1.253 159 M CA -1.843 53.465 55.300 0.014 0.000 0.852 159 M CB 2.099 34.696 32.600 -0.005 0.000 1.708 159 M HN 0.174 nan 8.290 nan 0.000 0.471 160 P HA 0.153 nan 4.420 nan 0.000 0.271 160 P C -0.747 176.550 177.300 -0.005 0.000 1.218 160 P CA -0.048 63.068 63.100 0.027 0.000 0.780 160 P CB 0.947 32.677 31.700 0.051 0.000 0.901 161 S N 1.400 117.092 115.700 -0.014 0.000 2.537 161 S HA 0.438 4.910 4.470 0.003 0.000 0.275 161 S C -0.373 174.151 174.600 -0.127 0.000 1.272 161 S CA -0.029 58.129 58.200 -0.069 0.000 1.050 161 S CB -0.380 62.789 63.200 -0.052 0.000 0.961 161 S HN 0.357 nan 8.310 nan 0.000 0.496 162 T N 6.030 120.439 114.554 -0.242 0.000 2.893 162 T HA 0.541 4.892 4.350 0.003 0.000 0.291 162 T C -2.682 171.673 174.700 -0.576 0.000 1.028 162 T CA -0.979 60.856 62.100 -0.442 0.000 0.995 162 T CB 1.592 70.265 68.868 -0.324 0.000 1.051 162 T HN 0.422 nan 8.240 nan 0.000 0.470 163 P HA 0.199 nan 4.420 nan 0.000 0.267 163 P C -0.544 176.484 177.300 -0.453 0.000 1.200 163 P CA -0.204 62.545 63.100 -0.584 0.000 0.772 163 P CB 0.214 31.476 31.700 -0.730 0.000 0.855 164 H N 0.123 119.073 119.070 -0.200 0.000 2.732 164 H HA 0.020 4.577 4.556 0.001 0.000 0.351 164 H C 1.284 176.550 175.328 -0.102 0.000 1.090 164 H CA 0.235 56.208 56.048 -0.125 0.000 1.431 164 H CB 0.629 30.338 29.762 -0.088 0.000 1.447 164 H HN 0.480 nan 8.280 nan 0.000 0.582 165 E N 1.468 121.691 120.200 0.039 0.000 2.160 165 E HA -0.213 4.139 4.350 0.003 0.000 0.195 165 E C 1.812 178.433 176.600 0.034 0.000 0.991 165 E CA 1.715 58.130 56.400 0.026 0.000 0.810 165 E CB -0.015 29.701 29.700 0.025 0.000 0.742 165 E HN 0.677 nan 8.360 nan 0.000 0.466 166 S N -0.514 115.215 115.700 0.047 0.000 2.419 166 S HA -0.227 4.245 4.470 0.003 0.000 0.233 166 S C 2.067 176.675 174.600 0.013 0.000 1.016 166 S CA 1.234 59.445 58.200 0.018 0.000 0.974 166 S CB -0.236 62.960 63.200 -0.007 0.000 0.786 166 S HN 0.424 nan 8.310 nan 0.000 0.492 167 Q N 0.503 120.319 119.800 0.026 0.000 2.134 167 Q HA 0.275 4.617 4.340 0.003 0.000 0.195 167 Q C 0.013 176.021 176.000 0.012 0.000 0.958 167 Q CA 0.660 56.471 55.803 0.013 0.000 0.840 167 Q CB 0.276 29.023 28.738 0.015 0.000 0.918 167 Q HN 0.600 nan 8.270 nan 0.000 0.467 168 I N 3.157 123.730 120.570 0.005 0.000 2.537 168 I HA 0.326 4.498 4.170 0.003 0.000 0.276 168 I C -2.432 173.712 176.117 0.044 0.000 1.063 168 I CA -2.352 58.965 61.300 0.030 0.000 1.144 168 I CB 1.744 39.759 38.000 0.025 0.000 1.252 168 I HN 0.014 nan 8.210 nan 0.000 0.480 169 P HA 0.086 nan 4.420 nan 0.000 0.267 169 P C 0.975 178.319 177.300 0.072 0.000 1.205 169 P CA 0.791 63.920 63.100 0.048 0.000 0.765 169 P CB 0.850 32.572 31.700 0.038 0.000 0.828 170 G N 2.677 111.519 108.800 0.071 0.000 2.176 170 G HA2 -0.317 3.644 3.960 0.003 0.000 0.253 170 G HA3 -0.317 3.644 3.960 0.003 0.000 0.253 170 G C 1.150 176.143 174.900 0.156 0.000 0.979 170 G CA 0.417 45.572 45.100 0.092 0.000 0.641 170 G HN 0.673 nan 8.290 nan 0.000 0.530 171 A N 0.854 123.773 122.820 0.165 0.000 1.986 171 A HA 0.111 4.433 4.320 0.003 0.000 0.220 171 A C 2.647 180.413 177.584 0.302 0.000 1.171 171 A CA 2.767 54.975 52.037 0.285 0.000 0.640 171 A CB -0.737 18.211 19.000 -0.087 0.000 0.811 171 A HN 1.814 nan 8.150 nan 0.000 0.451 172 S N -0.392 115.389 115.700 0.135 0.000 2.507 172 S HA 0.033 4.505 4.470 0.003 0.000 0.235 172 S C 1.566 176.246 174.600 0.132 0.000 0.988 172 S CA 1.041 59.306 58.200 0.108 0.000 0.944 172 S CB -0.599 62.629 63.200 0.047 0.000 0.762 172 S HN 0.478 nan 8.310 nan 0.000 0.526 173 L N 1.198 122.505 121.223 0.140 0.000 2.376 173 L HA 0.197 4.539 4.340 0.003 0.000 0.219 173 L C 1.793 178.714 176.870 0.085 0.000 1.133 173 L CA 0.306 55.200 54.840 0.091 0.000 0.816 173 L CB -0.943 41.154 42.059 0.064 0.000 0.933 173 L HN 0.455 nan 8.230 nan 0.000 0.449 174 G N 0.342 109.247 108.800 0.174 0.000 2.599 174 G HA2 0.494 4.456 3.960 0.003 0.000 0.264 174 G HA3 0.494 4.456 3.960 0.003 0.000 0.264 174 G C -0.301 174.684 174.900 0.142 0.000 1.200 174 G CA -0.470 44.665 45.100 0.058 0.000 0.896 174 G HN 0.161 nan 8.290 nan 0.000 0.536 175 I N -2.313 118.294 120.570 0.062 0.000 3.133 175 I HA 0.869 5.041 4.170 0.003 0.000 0.311 175 I C 0.424 176.636 176.117 0.157 0.000 1.072 175 I CA -0.960 60.404 61.300 0.107 0.000 1.015 175 I CB 2.302 40.336 38.000 0.056 0.000 1.233 175 I HN 0.640 nan 8.210 nan 0.000 0.473 176 T N -1.695 112.947 114.554 0.147 0.000 2.804 176 T HA 0.308 4.660 4.350 0.003 0.000 0.272 176 T C 1.085 175.849 174.700 0.105 0.000 0.986 176 T CA 0.029 62.212 62.100 0.138 0.000 0.999 176 T CB 0.963 69.911 68.868 0.134 0.000 1.307 176 T HN 0.829 nan 8.240 nan 0.000 0.586 177 S N 0.128 115.875 115.700 0.078 0.000 2.400 177 S HA -0.171 4.301 4.470 0.003 0.000 0.232 177 S C 1.306 176.041 174.600 0.225 0.000 1.025 177 S CA 1.519 59.766 58.200 0.078 0.000 0.993 177 S CB -0.982 62.259 63.200 0.069 0.000 0.808 177 S HN 0.697 nan 8.310 nan 0.000 0.478 178 D N 2.263 122.795 120.400 0.220 0.000 2.097 178 D HA 0.002 4.644 4.640 0.003 0.000 0.195 178 D C 2.206 178.644 176.300 0.231 0.000 0.989 178 D CA 1.528 55.679 54.000 0.253 0.000 0.827 178 D CB -1.085 39.806 40.800 0.152 0.000 0.966 178 D HN 0.567 nan 8.370 nan 0.000 0.456 179 G N -0.234 108.662 108.800 0.159 0.000 2.443 179 G HA2 -0.240 3.722 3.960 0.003 0.000 0.219 179 G HA3 -0.240 3.722 3.960 0.003 0.000 0.219 179 G C 1.476 176.440 174.900 0.106 0.000 1.131 179 G CA 0.159 45.330 45.100 0.119 0.000 0.775 179 G HN 0.256 nan 8.290 nan 0.000 0.547 180 F N 1.065 120.974 119.950 -0.068 0.000 2.091 180 F HA -0.068 4.461 4.527 0.002 0.000 0.299 180 F C 1.906 177.616 175.800 -0.151 0.000 1.103 180 F CA 1.331 59.221 58.000 -0.183 0.000 1.228 180 F CB -0.125 38.644 39.000 -0.384 0.000 0.984 180 F HN 0.114 nan 8.300 nan 0.000 0.477 181 F N 0.089 120.170 119.950 0.219 0.000 2.802 181 F HA -0.009 4.519 4.527 0.002 0.000 0.300 181 F C 2.039 177.880 175.800 0.069 0.000 1.168 181 F CA 0.484 58.555 58.000 0.117 0.000 1.433 181 F CB -0.547 38.556 39.000 0.172 0.000 1.115 181 F HN 0.092 nan 8.300 nan 0.000 0.582 182 Q N -0.053 119.848 119.800 0.169 0.000 2.384 182 Q HA 0.191 4.533 4.340 0.003 0.000 0.207 182 Q C 0.696 176.740 176.000 0.073 0.000 0.904 182 Q CA 0.104 55.978 55.803 0.118 0.000 0.933 182 Q CB 0.268 29.062 28.738 0.094 0.000 1.077 182 Q HN 0.355 nan 8.270 nan 0.000 0.522 183 L N 1.744 122.980 121.223 0.021 0.000 2.540 183 L HA -0.080 4.262 4.340 0.003 0.000 0.276 183 L C 1.215 178.140 176.870 0.092 0.000 1.212 183 L CA 0.549 55.353 54.840 -0.059 0.000 0.893 183 L CB 0.292 42.188 42.059 -0.272 0.000 1.138 183 L HN 0.095 nan 8.230 nan 0.000 0.491 184 E N 1.358 121.538 120.200 -0.033 0.000 2.476 184 E HA 0.093 4.445 4.350 0.003 0.000 0.199 184 E C -0.330 176.242 176.600 -0.047 0.000 1.021 184 E CA 0.102 56.544 56.400 0.069 0.000 0.907 184 E CB 0.667 30.386 29.700 0.032 0.000 0.974 184 E HN 0.506 nan 8.360 nan 0.000 0.489 185 E N 0.371 120.284 120.200 -0.479 0.000 2.408 185 E HA 0.201 4.552 4.350 0.003 0.000 0.275 185 E C -1.153 174.759 176.600 -1.147 0.000 0.935 185 E CA -1.008 55.048 56.400 -0.574 0.000 0.775 185 E CB 1.985 31.518 29.700 -0.278 0.000 1.277 185 E HN -0.059 nan 8.360 nan 0.000 0.455 186 L N 3.128 123.882 121.223 -0.782 0.000 2.410 186 L HA 0.262 4.603 4.340 0.003 0.000 0.273 186 L C -2.320 174.302 176.870 -0.413 0.000 1.144 186 L CA -0.878 53.569 54.840 -0.654 0.000 0.863 186 L CB 0.028 42.082 42.059 -0.007 0.000 1.140 186 L HN 0.195 nan 8.230 nan 0.000 0.463 187 P HA 0.204 nan 4.420 nan 0.000 0.271 187 P C 0.573 177.797 177.300 -0.128 0.000 1.216 187 P CA -0.089 62.875 63.100 -0.226 0.000 0.771 187 P CB 1.003 32.586 31.700 -0.194 0.000 0.864 188 G N 2.417 111.160 108.800 -0.096 0.000 2.402 188 G HA2 -0.145 3.817 3.960 0.003 0.000 0.216 188 G HA3 -0.145 3.817 3.960 0.003 0.000 0.216 188 G C 0.533 175.405 174.900 -0.046 0.000 1.162 188 G CA 0.605 45.672 45.100 -0.056 0.000 0.777 188 G HN 0.455 nan 8.290 nan 0.000 0.539 189 R N -0.051 120.415 120.500 -0.057 0.000 2.502 189 R HA 0.578 4.920 4.340 0.003 0.000 0.300 189 R C -1.465 174.797 176.300 -0.063 0.000 0.984 189 R CA -0.246 55.823 56.100 -0.051 0.000 0.882 189 R CB 1.589 31.860 30.300 -0.048 0.000 1.180 189 R HN 0.026 nan 8.270 nan 0.000 0.444 190 S N 2.381 118.048 115.700 -0.056 0.000 2.500 190 S HA 0.628 5.099 4.470 0.003 0.000 0.301 190 S C -1.310 173.245 174.600 -0.074 0.000 1.092 190 S CA -0.720 57.441 58.200 -0.065 0.000 1.030 190 S CB 2.037 65.214 63.200 -0.038 0.000 1.031 190 S HN 0.327 nan 8.310 nan 0.000 0.483 191 V N 3.802 123.651 119.914 -0.109 0.000 2.443 191 V HA 0.478 4.600 4.120 0.003 0.000 0.293 191 V C -1.058 174.936 176.094 -0.167 0.000 1.021 191 V CA -0.584 61.640 62.300 -0.128 0.000 0.848 191 V CB 1.230 32.965 31.823 -0.146 0.000 0.998 191 V HN 0.735 nan 8.190 nan 0.000 0.424 192 I N 5.521 126.013 120.570 -0.130 0.000 2.336 192 I HA 0.458 4.630 4.170 0.003 0.000 0.292 192 I C -0.068 175.978 176.117 -0.118 0.000 0.991 192 I CA -0.283 60.939 61.300 -0.130 0.000 1.227 192 I CB 1.831 39.777 38.000 -0.090 0.000 1.366 192 I HN 0.276 nan 8.210 nan 0.000 0.466 193 V N 5.684 125.525 119.914 -0.123 0.000 2.398 193 V HA 0.971 5.092 4.120 0.003 0.000 0.286 193 V C 0.455 176.580 176.094 0.052 0.000 1.026 193 V CA -0.242 62.039 62.300 -0.032 0.000 0.868 193 V CB 0.692 32.498 31.823 -0.027 0.000 0.982 193 V HN 1.067 nan 8.190 nan 0.000 0.443 194 G N 3.669 112.495 108.800 0.044 0.000 2.347 194 G HA2 0.508 4.470 3.960 0.003 0.000 0.477 194 G HA3 0.508 4.470 3.960 0.003 0.000 0.477 194 G C -0.357 174.551 174.900 0.014 0.000 1.349 194 G CA 0.079 45.207 45.100 0.046 0.000 1.000 194 G HN 1.423 nan 8.290 nan 0.000 0.605 195 A N -0.698 122.134 122.820 0.020 0.000 2.622 195 A HA 0.787 5.109 4.320 0.003 0.000 0.283 195 A C 0.988 178.582 177.584 0.017 0.000 0.998 195 A CA 1.331 53.373 52.037 0.009 0.000 0.985 195 A CB 0.016 19.027 19.000 0.019 0.000 1.236 195 A HN 2.177 nan 8.150 nan 0.000 0.559 196 G N -1.319 107.495 108.800 0.024 0.000 2.583 196 G HA2 0.392 4.354 3.960 0.003 0.000 0.280 196 G HA3 0.392 4.354 3.960 0.003 0.000 0.280 196 G C 0.653 175.574 174.900 0.034 0.000 1.376 196 G CA 0.114 45.255 45.100 0.069 0.000 1.043 196 G HN 0.621 nan 8.290 nan 0.000 0.538 197 Y N -1.156 119.161 120.300 0.029 0.000 2.293 197 Y HA 0.085 4.637 4.550 0.004 0.000 0.291 197 Y C 2.283 178.184 175.900 0.001 0.000 1.137 197 Y CA 1.113 59.205 58.100 -0.013 0.000 1.202 197 Y CB -0.364 38.117 38.460 0.035 0.000 0.990 197 Y HN 0.200 nan 8.280 nan 0.000 0.537 198 I N 1.208 121.344 120.570 -0.722 0.000 2.252 198 I HA -0.255 3.917 4.170 0.003 0.000 0.245 198 I C 2.861 178.835 176.117 -0.239 0.000 1.102 198 I CA 1.217 62.206 61.300 -0.517 0.000 1.385 198 I CB -0.714 36.980 38.000 -0.509 0.000 1.064 198 I HN 0.430 nan 8.210 nan 0.000 0.414 199 A N 0.613 123.334 122.820 -0.165 0.000 1.883 199 A HA -0.178 4.144 4.320 0.003 0.000 0.217 199 A C 2.450 179.989 177.584 -0.076 0.000 1.186 199 A CA 1.968 53.944 52.037 -0.101 0.000 0.624 199 A CB -1.069 17.896 19.000 -0.057 0.000 0.822 199 A HN 0.233 nan 8.150 nan 0.000 0.444 200 V N 0.110 119.992 119.914 -0.053 0.000 2.287 200 V HA -0.316 3.806 4.120 0.003 0.000 0.248 200 V C 2.469 178.577 176.094 0.023 0.000 1.053 200 V CA 2.478 64.769 62.300 -0.016 0.000 1.027 200 V CB -0.917 30.891 31.823 -0.026 0.000 0.646 200 V HN 0.658 nan 8.190 nan 0.000 0.447 201 E N -0.619 119.592 120.200 0.018 0.000 2.051 201 E HA -0.225 4.127 4.350 0.003 0.000 0.192 201 E C 2.221 178.836 176.600 0.025 0.000 0.991 201 E CA 1.506 57.951 56.400 0.075 0.000 0.799 201 E CB -0.218 29.537 29.700 0.092 0.000 0.748 201 E HN 0.522 nan 8.360 nan 0.000 0.449 202 M N 0.362 119.888 119.600 -0.123 0.000 2.132 202 M HA -0.123 4.359 4.480 0.003 0.000 0.263 202 M C 2.423 178.674 176.300 -0.081 0.000 1.065 202 M CA 1.336 56.485 55.300 -0.252 0.000 1.122 202 M CB -0.115 32.197 32.600 -0.479 0.000 1.365 202 M HN 0.127 nan 8.290 nan 0.000 0.411 203 A N 0.339 123.135 122.820 -0.040 0.000 1.902 203 A HA -0.081 4.241 4.320 0.003 0.000 0.217 203 A C 2.323 179.935 177.584 0.048 0.000 1.181 203 A CA 1.972 54.010 52.037 0.001 0.000 0.623 203 A CB -1.574 17.420 19.000 -0.009 0.000 0.818 203 A HN 0.545 nan 8.150 nan 0.000 0.443 204 G N -0.201 108.662 108.800 0.105 0.000 2.402 204 G HA2 -0.142 3.820 3.960 0.003 0.000 0.216 204 G HA3 -0.142 3.820 3.960 0.003 0.000 0.216 204 G C 1.530 176.498 174.900 0.114 0.000 1.162 204 G CA 1.073 46.275 45.100 0.170 0.000 0.777 204 G HN 0.473 nan 8.290 nan 0.000 0.539 205 I N 0.219 120.903 120.570 0.191 0.000 2.142 205 I HA -0.118 4.054 4.170 0.003 0.000 0.240 205 I C 2.721 178.918 176.117 0.133 0.000 1.078 205 I CA 0.711 62.115 61.300 0.174 0.000 1.343 205 I CB -0.212 37.941 38.000 0.254 0.000 1.046 205 I HN 0.109 nan 8.210 nan 0.000 0.405 206 L N -0.324 121.005 121.223 0.177 0.000 2.046 206 L HA -0.236 4.106 4.340 0.003 0.000 0.208 206 L C 2.724 179.644 176.870 0.082 0.000 1.077 206 L CA 1.452 56.406 54.840 0.189 0.000 0.747 206 L CB -0.512 41.649 42.059 0.170 0.000 0.896 206 L HN 0.234 nan 8.230 nan 0.000 0.432 207 S N -0.586 115.132 115.700 0.031 0.000 2.368 207 S HA -0.129 4.343 4.470 0.003 0.000 0.224 207 S C 2.133 176.709 174.600 -0.040 0.000 1.029 207 S CA 1.084 59.281 58.200 -0.006 0.000 0.988 207 S CB -0.087 63.103 63.200 -0.015 0.000 0.838 207 S HN 0.430 nan 8.310 nan 0.000 0.462 208 A N 1.156 123.912 122.820 -0.107 0.000 1.972 208 A HA 0.073 4.395 4.320 0.003 0.000 0.219 208 A C 1.976 179.468 177.584 -0.154 0.000 1.169 208 A CA 1.219 53.149 52.037 -0.179 0.000 0.635 208 A CB -0.610 18.163 19.000 -0.378 0.000 0.810 208 A HN 0.586 nan 8.150 nan 0.000 0.446 209 L N -1.712 119.427 121.223 -0.140 0.000 2.591 209 L HA 0.220 4.562 4.340 0.003 0.000 0.228 209 L C 1.577 178.441 176.870 -0.009 0.000 1.133 209 L CA 0.575 55.288 54.840 -0.211 0.000 0.880 209 L CB -0.008 41.895 42.059 -0.261 0.000 1.033 209 L HN 0.596 nan 8.230 nan 0.000 0.450 210 G N -0.910 107.906 108.800 0.026 0.000 2.205 210 G HA2 -0.227 3.734 3.960 0.003 0.000 0.180 210 G HA3 -0.227 3.734 3.960 0.003 0.000 0.180 210 G C 0.295 175.223 174.900 0.046 0.000 1.004 210 G CA 0.084 45.216 45.100 0.054 0.000 0.670 210 G HN 0.198 nan 8.290 nan 0.000 0.496 211 S N 0.235 115.961 115.700 0.044 0.000 2.564 211 S HA 0.433 4.905 4.470 0.003 0.000 0.278 211 S C 0.655 175.257 174.600 0.003 0.000 1.333 211 S CA 0.078 58.288 58.200 0.018 0.000 1.048 211 S CB 0.752 63.962 63.200 0.016 0.000 0.900 211 S HN 0.489 nan 8.310 nan 0.000 0.505 212 K N 3.646 124.041 120.400 -0.009 0.000 2.315 212 K HA 0.163 4.485 4.320 0.003 0.000 0.291 212 K C -0.824 175.764 176.600 -0.020 0.000 1.074 212 K CA 0.088 56.367 56.287 -0.014 0.000 0.936 212 K CB -0.105 32.384 32.500 -0.017 0.000 1.049 212 K HN 0.526 nan 8.250 nan 0.000 0.471 213 T N 2.498 117.041 114.554 -0.017 0.000 2.807 213 T HA 0.312 4.664 4.350 0.003 0.000 0.279 213 T C -0.925 173.759 174.700 -0.025 0.000 0.993 213 T CA -0.689 61.398 62.100 -0.021 0.000 0.970 213 T CB 1.669 70.531 68.868 -0.009 0.000 0.950 213 T HN 0.427 nan 8.240 nan 0.000 0.441 214 S N 2.174 117.853 115.700 -0.035 0.000 2.532 214 S HA 0.703 5.175 4.470 0.003 0.000 0.301 214 S C -1.175 173.398 174.600 -0.045 0.000 1.083 214 S CA -0.761 57.417 58.200 -0.037 0.000 1.025 214 S CB 1.492 64.668 63.200 -0.041 0.000 1.056 214 S HN 0.562 nan 8.310 nan 0.000 0.494 215 L N 3.085 124.285 121.223 -0.038 0.000 2.343 215 L HA 0.595 4.937 4.340 0.003 0.000 0.278 215 L C -0.832 176.015 176.870 -0.039 0.000 0.996 215 L CA -0.328 54.487 54.840 -0.041 0.000 0.831 215 L CB 1.180 43.219 42.059 -0.032 0.000 1.232 215 L HN 0.792 nan 8.230 nan 0.000 0.413 216 M N 7.336 126.910 119.600 -0.043 0.000 2.088 216 M HA 0.532 5.014 4.480 0.003 0.000 0.346 216 M C -1.095 175.191 176.300 -0.024 0.000 1.111 216 M CA -0.560 54.720 55.300 -0.033 0.000 1.017 216 M CB 0.655 33.233 32.600 -0.036 0.000 1.568 216 M HN 0.702 nan 8.290 nan 0.000 0.445 217 I N 1.379 121.925 120.570 -0.041 0.000 2.689 217 I HA 0.500 4.672 4.170 0.003 0.000 0.299 217 I C 0.185 176.237 176.117 -0.108 0.000 1.059 217 I CA -0.945 60.323 61.300 -0.053 0.000 1.055 217 I CB 2.115 40.075 38.000 -0.065 0.000 1.243 217 I HN 0.702 nan 8.210 nan 0.000 0.425 218 R N 1.707 122.147 120.500 -0.099 0.000 2.189 218 R HA 0.137 4.479 4.340 0.003 0.000 0.218 218 R C 0.512 176.450 176.300 -0.603 0.000 1.074 218 R CA 0.917 56.876 56.100 -0.235 0.000 0.991 218 R CB -0.119 30.079 30.300 -0.171 0.000 0.883 218 R HN 0.691 nan 8.270 nan 0.000 0.457 219 H N -1.089 117.717 119.070 -0.441 0.000 3.878 219 H HA 0.084 4.642 4.556 0.003 0.000 0.332 219 H C 0.371 174.996 175.328 -1.172 0.000 1.613 219 H CA -0.334 55.179 56.048 -0.890 0.000 1.413 219 H CB 0.455 29.997 29.762 -0.368 0.000 1.066 219 H HN 0.027 nan 8.280 nan 0.000 0.797 220 D N 0.178 120.192 120.400 -0.643 0.000 2.366 220 D HA 0.100 4.742 4.640 0.003 0.000 0.205 220 D C 0.052 176.273 176.300 -0.132 0.000 1.022 220 D CA 0.520 54.327 54.000 -0.323 0.000 0.868 220 D CB 1.008 41.821 40.800 0.022 0.000 0.953 220 D HN 0.158 nan 8.370 nan 0.000 0.514 221 K N 0.145 120.481 120.400 -0.107 0.000 2.508 221 K HA 0.453 4.775 4.320 0.003 0.000 0.260 221 K C -0.621 175.945 176.600 -0.057 0.000 0.949 221 K CA -1.066 55.184 56.287 -0.062 0.000 0.834 221 K CB 3.396 35.873 32.500 -0.039 0.000 1.365 221 K HN -0.066 nan 8.250 nan 0.000 0.437 222 V N -0.620 119.262 119.914 -0.054 0.000 3.170 222 V HA 0.390 4.512 4.120 0.003 0.000 0.309 222 V C 0.594 176.651 176.094 -0.062 0.000 1.071 222 V CA -0.732 61.536 62.300 -0.054 0.000 1.063 222 V CB 0.093 31.877 31.823 -0.065 0.000 1.123 222 V HN 0.846 nan 8.190 nan 0.000 0.464 223 L N -0.638 120.551 121.223 -0.056 0.000 3.660 223 L HA -0.203 4.139 4.340 0.003 0.000 0.440 223 L C 1.793 178.718 176.870 0.093 0.000 1.262 223 L CA 0.648 55.459 54.840 -0.048 0.000 0.837 223 L CB -1.338 40.456 42.059 -0.442 0.000 1.689 223 L HN 0.830 nan 8.230 nan 0.000 0.890 224 R N 0.218 120.754 120.500 0.061 0.000 2.237 224 R HA -0.089 4.252 4.340 0.003 0.000 0.219 224 R C 2.126 178.464 176.300 0.064 0.000 1.080 224 R CA 1.393 57.509 56.100 0.026 0.000 0.995 224 R CB -0.081 30.185 30.300 -0.057 0.000 0.875 224 R HN 0.742 nan 8.270 nan 0.000 0.462 225 S N -0.369 115.412 115.700 0.136 0.000 2.562 225 S HA 0.048 4.520 4.470 0.003 0.000 0.221 225 S C 0.522 175.152 174.600 0.049 0.000 0.975 225 S CA -0.069 58.172 58.200 0.069 0.000 0.918 225 S CB -0.087 63.139 63.200 0.043 0.000 0.772 225 S HN -0.037 nan 8.310 nan 0.000 0.531 226 F N 2.640 122.560 119.950 -0.050 0.000 2.368 226 F HA 0.428 4.957 4.527 0.003 0.000 0.308 226 F C 0.973 176.695 175.800 -0.130 0.000 1.198 226 F CA -1.779 56.178 58.000 -0.071 0.000 1.130 226 F CB -0.037 38.933 39.000 -0.050 0.000 1.300 226 F HN 0.043 nan 8.300 nan 0.000 0.537 227 D N -0.228 120.137 120.400 -0.059 0.000 2.506 227 D HA 0.002 4.644 4.640 0.003 0.000 0.234 227 D C 1.127 177.382 176.300 -0.075 0.000 1.143 227 D CA 0.703 54.572 54.000 -0.218 0.000 0.871 227 D CB 0.837 41.289 40.800 -0.580 0.000 1.190 227 D HN 0.519 nan 8.370 nan 0.000 0.459 228 S N 3.731 119.390 115.700 -0.069 0.000 2.387 228 S HA -0.337 4.135 4.470 0.003 0.000 0.230 228 S C 2.021 176.606 174.600 -0.024 0.000 1.035 228 S CA 1.251 59.432 58.200 -0.033 0.000 1.014 228 S CB -0.456 62.727 63.200 -0.028 0.000 0.836 228 S HN 0.746 nan 8.310 nan 0.000 0.466 229 M N 0.787 120.370 119.600 -0.029 0.000 2.117 229 M HA -0.065 4.416 4.480 0.003 0.000 0.262 229 M C 1.725 178.022 176.300 -0.006 0.000 1.065 229 M CA 1.689 56.983 55.300 -0.009 0.000 1.114 229 M CB -0.278 32.326 32.600 0.007 0.000 1.361 229 M HN 0.273 nan 8.290 nan 0.000 0.408 230 I N -0.202 120.366 120.570 -0.002 0.000 2.252 230 I HA -0.211 3.960 4.170 0.003 0.000 0.245 230 I C 2.683 178.774 176.117 -0.043 0.000 1.102 230 I CA 1.417 62.713 61.300 -0.007 0.000 1.385 230 I CB -1.741 36.288 38.000 0.048 0.000 1.064 230 I HN 0.415 nan 8.210 nan 0.000 0.414 231 S N 0.471 116.155 115.700 -0.026 0.000 2.359 231 S HA -0.205 4.267 4.470 0.003 0.000 0.224 231 S C 2.119 176.696 174.600 -0.039 0.000 1.035 231 S CA 2.441 60.616 58.200 -0.042 0.000 1.018 231 S CB -0.274 62.918 63.200 -0.013 0.000 0.876 231 S HN 0.490 nan 8.310 nan 0.000 0.448 232 T N 1.689 116.229 114.554 -0.023 0.000 2.643 232 T HA -0.103 4.249 4.350 0.003 0.000 0.264 232 T C 1.786 176.475 174.700 -0.019 0.000 1.045 232 T CA 1.748 63.838 62.100 -0.016 0.000 1.155 232 T CB -0.836 68.028 68.868 -0.007 0.000 0.863 232 T HN 0.599 nan 8.240 nan 0.000 0.420 233 N N 0.045 118.733 118.700 -0.021 0.000 2.120 233 N HA -0.107 4.635 4.740 0.003 0.000 0.188 233 N C 2.079 177.573 175.510 -0.027 0.000 1.024 233 N CA 1.230 54.267 53.050 -0.021 0.000 0.852 233 N CB -0.643 37.832 38.487 -0.020 0.000 1.003 233 N HN 0.422 nan 8.380 nan 0.000 0.424 234 C N -0.379 118.894 119.300 -0.045 0.000 2.429 234 C HA -0.073 4.389 4.460 0.003 0.000 0.277 234 C C 2.517 177.485 174.990 -0.035 0.000 1.262 234 C CA 1.672 60.658 59.018 -0.053 0.000 1.733 234 C CB -1.536 26.139 27.740 -0.107 0.000 2.010 234 C HN 0.528 nan 8.230 nan 0.000 0.483 235 T N 0.516 115.048 114.554 -0.037 0.000 2.708 235 T HA -0.170 4.182 4.350 0.003 0.000 0.266 235 T C 1.568 176.260 174.700 -0.013 0.000 1.037 235 T CA 1.961 64.046 62.100 -0.026 0.000 1.146 235 T CB -0.379 68.473 68.868 -0.027 0.000 0.865 235 T HN 0.693 nan 8.240 nan 0.000 0.435 236 E N 0.686 120.879 120.200 -0.011 0.000 2.077 236 E HA -0.134 4.218 4.350 0.003 0.000 0.193 236 E C 2.490 179.089 176.600 -0.003 0.000 0.989 236 E CA 0.834 57.230 56.400 -0.006 0.000 0.800 236 E CB -0.031 29.665 29.700 -0.007 0.000 0.746 236 E HN 0.413 nan 8.360 nan 0.000 0.452 237 E N 0.615 120.814 120.200 -0.001 0.000 2.106 237 E HA -0.136 4.215 4.350 0.003 0.000 0.192 237 E C 2.270 178.883 176.600 0.022 0.000 0.984 237 E CA 0.539 56.946 56.400 0.012 0.000 0.806 237 E CB -0.096 29.619 29.700 0.024 0.000 0.750 237 E HN 0.298 nan 8.360 nan 0.000 0.458 238 L N 1.047 122.281 121.223 0.019 0.000 1.989 238 L HA -0.220 4.122 4.340 0.003 0.000 0.211 238 L C 2.418 179.293 176.870 0.008 0.000 1.071 238 L CA 1.447 56.300 54.840 0.021 0.000 0.749 238 L CB -0.348 41.718 42.059 0.011 0.000 0.890 238 L HN 0.102 nan 8.230 nan 0.000 0.431 239 E N -0.224 119.976 120.200 0.001 0.000 2.077 239 E HA -0.202 4.149 4.350 0.003 0.000 0.193 239 E C 1.894 178.490 176.600 -0.005 0.000 0.989 239 E CA 1.153 57.552 56.400 -0.003 0.000 0.800 239 E CB -0.196 29.503 29.700 -0.003 0.000 0.746 239 E HN 0.480 nan 8.360 nan 0.000 0.452 240 N N 0.872 119.570 118.700 -0.004 0.000 2.223 240 N HA -0.110 4.632 4.740 0.003 0.000 0.185 240 N C 1.480 176.984 175.510 -0.011 0.000 1.016 240 N CA 1.160 54.204 53.050 -0.009 0.000 0.863 240 N CB -0.217 38.264 38.487 -0.011 0.000 0.983 240 N HN 0.123 nan 8.380 nan 0.000 0.429 241 A N -0.417 122.401 122.820 -0.003 0.000 2.206 241 A HA 0.383 4.705 4.320 0.003 0.000 0.211 241 A C 1.540 179.111 177.584 -0.021 0.000 1.158 241 A CA 1.013 53.045 52.037 -0.009 0.000 0.761 241 A CB -0.303 18.698 19.000 0.002 0.000 0.801 241 A HN 0.343 nan 8.150 nan 0.000 0.473 242 G N -1.969 106.820 108.800 -0.018 0.000 2.179 242 G HA2 -0.181 3.781 3.960 0.003 0.000 0.220 242 G HA3 -0.181 3.781 3.960 0.003 0.000 0.220 242 G C 0.142 175.032 174.900 -0.016 0.000 0.990 242 G CA -0.014 45.073 45.100 -0.021 0.000 0.646 242 G HN 0.725 nan 8.290 nan 0.000 0.517 243 V N 1.501 121.408 119.914 -0.011 0.000 2.508 243 V HA 0.336 4.458 4.120 0.003 0.000 0.281 243 V C 0.896 176.984 176.094 -0.011 0.000 1.041 243 V CA 0.062 62.356 62.300 -0.009 0.000 1.016 243 V CB 1.625 33.447 31.823 -0.002 0.000 0.984 243 V HN 0.430 nan 8.190 nan 0.000 0.478 244 E N 4.518 124.709 120.200 -0.014 0.000 2.129 244 E HA 0.242 4.594 4.350 0.003 0.000 0.283 244 E C -0.996 175.596 176.600 -0.014 0.000 1.080 244 E CA -0.445 55.947 56.400 -0.013 0.000 0.867 244 E CB 1.007 30.698 29.700 -0.014 0.000 1.056 244 E HN 0.531 nan 8.360 nan 0.000 0.404 245 V N 7.219 127.126 119.914 -0.011 0.000 2.348 245 V HA 0.150 4.272 4.120 0.003 0.000 0.270 245 V C 0.231 176.318 176.094 -0.011 0.000 1.037 245 V CA -0.458 61.832 62.300 -0.016 0.000 0.872 245 V CB 0.735 32.548 31.823 -0.017 0.000 1.002 245 V HN 0.649 nan 8.190 nan 0.000 0.464 246 L N 6.500 127.714 121.223 -0.015 0.000 2.302 246 L HA 0.397 4.739 4.340 0.003 0.000 0.285 246 L C 0.467 177.332 176.870 -0.010 0.000 1.090 246 L CA -0.154 54.684 54.840 -0.003 0.000 0.866 246 L CB 0.172 42.227 42.059 -0.007 0.000 1.244 246 L HN 0.556 nan 8.230 nan 0.000 0.435 247 K N 2.980 123.388 120.400 0.013 0.000 2.118 247 K HA 0.383 4.705 4.320 0.003 0.000 0.264 247 K C -0.020 176.625 176.600 0.074 0.000 1.000 247 K CA -0.710 55.559 56.287 -0.030 0.000 0.929 247 K CB 0.679 33.193 32.500 0.023 0.000 1.021 247 K HN 0.264 nan 8.250 nan 0.000 0.463 248 F N -0.113 119.821 119.950 -0.026 0.000 3.048 248 F HA -0.281 4.248 4.527 0.003 0.000 0.269 248 F C -0.238 175.531 175.800 -0.051 0.000 0.960 248 F CA 0.270 58.233 58.000 -0.063 0.000 0.909 248 F CB -1.510 37.463 39.000 -0.045 0.000 0.837 248 F HN 0.272 nan 8.300 nan 0.000 0.768 249 S N 0.010 115.733 115.700 0.038 0.000 2.538 249 S HA 0.750 5.222 4.470 0.003 0.000 0.288 249 S C -0.392 174.222 174.600 0.023 0.000 1.108 249 S CA -0.868 57.355 58.200 0.038 0.000 0.971 249 S CB 2.783 66.000 63.200 0.028 0.000 1.041 249 S HN 0.285 nan 8.310 nan 0.000 0.483 250 Q N 1.075 120.899 119.800 0.039 0.000 2.389 250 Q HA 0.519 4.861 4.340 0.003 0.000 0.277 250 Q C -1.303 174.742 176.000 0.075 0.000 1.082 250 Q CA -0.934 54.905 55.803 0.060 0.000 0.810 250 Q CB 2.209 30.980 28.738 0.055 0.000 1.374 250 Q HN 0.446 nan 8.270 nan 0.000 0.422 251 V N 2.618 122.608 119.914 0.127 0.000 2.488 251 V HA 0.058 4.180 4.120 0.003 0.000 0.277 251 V C 0.949 177.125 176.094 0.137 0.000 1.046 251 V CA 0.251 62.638 62.300 0.146 0.000 0.986 251 V CB 1.134 33.112 31.823 0.259 0.000 0.989 251 V HN 0.742 nan 8.190 nan 0.000 0.475 252 K N 3.086 123.544 120.400 0.096 0.000 2.276 252 K HA 0.225 4.547 4.320 0.003 0.000 0.198 252 K C 0.484 177.133 176.600 0.082 0.000 1.052 252 K CA 0.568 56.901 56.287 0.076 0.000 0.984 252 K CB 0.711 33.241 32.500 0.050 0.000 0.836 252 K HN 0.844 nan 8.250 nan 0.000 0.490 253 E N -0.346 119.908 120.200 0.090 0.000 2.388 253 E HA 0.244 4.595 4.350 0.003 0.000 0.280 253 E C -1.951 174.700 176.600 0.085 0.000 1.019 253 E CA -0.702 55.748 56.400 0.084 0.000 0.806 253 E CB 2.133 31.865 29.700 0.053 0.000 1.246 253 E HN -0.146 nan 8.360 nan 0.000 0.443 254 V N 2.825 122.793 119.914 0.090 0.000 2.638 254 V HA 0.561 4.683 4.120 0.003 0.000 0.306 254 V C -0.735 175.389 176.094 0.049 0.000 1.052 254 V CA -0.816 61.525 62.300 0.068 0.000 0.885 254 V CB 1.823 33.707 31.823 0.102 0.000 0.999 254 V HN 0.563 nan 8.190 nan 0.000 0.424 255 K N 2.174 122.590 120.400 0.027 0.000 2.422 255 K HA 0.587 4.909 4.320 0.003 0.000 0.251 255 K C -1.034 175.572 176.600 0.009 0.000 0.933 255 K CA -1.191 55.108 56.287 0.019 0.000 0.798 255 K CB 2.750 35.259 32.500 0.015 0.000 1.238 255 K HN 0.473 nan 8.250 nan 0.000 0.428 256 K N 1.900 122.306 120.400 0.009 0.000 2.368 256 K HA 0.098 4.420 4.320 0.003 0.000 0.282 256 K C -0.267 176.332 176.600 -0.002 0.000 1.035 256 K CA 0.262 56.550 56.287 0.001 0.000 0.973 256 K CB 0.492 32.994 32.500 0.004 0.000 0.957 256 K HN 0.731 nan 8.250 nan 0.000 0.474 257 T N 0.325 114.874 114.554 -0.008 0.000 2.841 257 T HA 0.340 4.692 4.350 0.003 0.000 0.276 257 T C 1.267 175.961 174.700 -0.011 0.000 1.003 257 T CA -0.908 61.187 62.100 -0.009 0.000 0.995 257 T CB 0.478 69.339 68.868 -0.011 0.000 1.260 257 T HN 0.409 nan 8.240 nan 0.000 0.581 258 L N 0.465 121.682 121.223 -0.011 0.000 2.201 258 L HA 0.053 4.395 4.340 0.003 0.000 0.212 258 L C 2.705 179.566 176.870 -0.016 0.000 1.105 258 L CA 1.313 56.146 54.840 -0.012 0.000 0.775 258 L CB -0.354 41.699 42.059 -0.010 0.000 0.913 258 L HN 0.821 nan 8.230 nan 0.000 0.440 259 S N -1.506 114.183 115.700 -0.018 0.000 2.540 259 S HA 0.355 4.827 4.470 0.003 0.000 0.218 259 S C 0.753 175.335 174.600 -0.028 0.000 0.977 259 S CA 0.340 58.526 58.200 -0.023 0.000 0.918 259 S CB 0.428 63.615 63.200 -0.023 0.000 0.806 259 S HN 0.544 nan 8.310 nan 0.000 0.496 260 G N 0.720 109.504 108.800 -0.027 0.000 2.168 260 G HA2 0.175 4.137 3.960 0.003 0.000 0.066 260 G HA3 0.175 4.137 3.960 0.003 0.000 0.066 260 G C -1.544 173.338 174.900 -0.029 0.000 0.769 260 G CA -0.420 44.661 45.100 -0.033 0.000 1.176 260 G HN 0.329 nan 8.290 nan 0.000 0.423 261 L N 0.730 121.932 121.223 -0.035 0.000 2.388 261 L HA 0.752 5.093 4.340 0.003 0.000 0.264 261 L C -0.898 175.954 176.870 -0.030 0.000 0.998 261 L CA -0.700 54.120 54.840 -0.032 0.000 0.817 261 L CB 2.580 44.611 42.059 -0.047 0.000 1.338 261 L HN 0.590 nan 8.230 nan 0.000 0.414 262 E N 1.174 121.362 120.200 -0.020 0.000 2.165 262 E HA 0.489 4.841 4.350 0.003 0.000 0.266 262 E C -1.581 175.010 176.600 -0.015 0.000 0.889 262 E CA -0.593 55.797 56.400 -0.018 0.000 0.756 262 E CB 2.073 31.768 29.700 -0.009 0.000 1.131 262 E HN 0.293 nan 8.360 nan 0.000 0.411 263 V N 3.708 123.607 119.914 -0.025 0.000 2.370 263 V HA 0.228 4.350 4.120 0.003 0.000 0.279 263 V C 0.068 176.159 176.094 -0.005 0.000 1.029 263 V CA -0.600 61.686 62.300 -0.022 0.000 0.870 263 V CB 1.389 33.177 31.823 -0.059 0.000 0.984 263 V HN 0.640 nan 8.190 nan 0.000 0.451 264 S N 6.877 122.586 115.700 0.015 0.000 2.465 264 S HA 0.610 5.082 4.470 0.003 0.000 0.279 264 S C -0.447 174.169 174.600 0.027 0.000 1.201 264 S CA -0.507 57.705 58.200 0.019 0.000 1.053 264 S CB 0.180 63.396 63.200 0.026 0.000 0.953 264 S HN 0.744 nan 8.310 nan 0.000 0.488 265 M N 6.047 125.659 119.600 0.019 0.000 2.456 265 M HA 0.632 5.114 4.480 0.003 0.000 0.324 265 M C -1.762 174.553 176.300 0.025 0.000 1.124 265 M CA -0.697 54.618 55.300 0.024 0.000 0.959 265 M CB 1.631 34.239 32.600 0.013 0.000 1.692 265 M HN 0.385 nan 8.290 nan 0.000 0.444 266 V N 3.121 123.054 119.914 0.032 0.000 2.417 266 V HA 0.523 4.645 4.120 0.003 0.000 0.291 266 V C -0.310 175.806 176.094 0.037 0.000 1.024 266 V CA -0.541 61.777 62.300 0.030 0.000 0.861 266 V CB 1.548 33.389 31.823 0.029 0.000 0.985 266 V HN 0.921 nan 8.190 nan 0.000 0.436 267 T N 3.866 118.442 114.554 0.036 0.000 2.807 267 T HA 0.708 5.060 4.350 0.003 0.000 0.279 267 T C -0.017 174.708 174.700 0.042 0.000 0.993 267 T CA -0.288 61.845 62.100 0.055 0.000 0.970 267 T CB 1.583 70.482 68.868 0.052 0.000 0.950 267 T HN 0.932 nan 8.240 nan 0.000 0.441 268 A N 3.293 126.148 122.820 0.058 0.000 3.127 268 A HA 0.592 4.913 4.320 0.003 0.000 0.319 268 A C -0.214 177.302 177.584 -0.114 0.000 1.104 268 A CA -0.535 51.497 52.037 -0.008 0.000 0.802 268 A CB 0.280 19.279 19.000 -0.001 0.000 1.193 268 A HN 0.665 nan 8.150 nan 0.000 0.479 269 V N 2.750 122.557 119.914 -0.179 0.000 2.555 269 V HA 0.203 4.325 4.120 0.003 0.000 0.286 269 V C -2.037 173.776 176.094 -0.467 0.000 1.044 269 V CA -1.195 60.826 62.300 -0.465 0.000 1.026 269 V CB 0.907 32.601 31.823 -0.215 0.000 0.981 269 V HN 0.640 nan 8.190 nan 0.000 0.480 270 P HA 0.182 nan 4.420 nan 0.000 0.262 270 P C 0.941 178.111 177.300 -0.216 0.000 1.182 270 P CA 1.422 64.308 63.100 -0.357 0.000 0.761 270 P CB 0.465 31.960 31.700 -0.341 0.000 0.795 271 G N 2.173 110.891 108.800 -0.137 0.000 2.195 271 G HA2 -0.223 3.739 3.960 0.003 0.000 0.246 271 G HA3 -0.223 3.739 3.960 0.003 0.000 0.246 271 G C 0.238 175.092 174.900 -0.076 0.000 0.984 271 G CA -0.333 44.713 45.100 -0.090 0.000 0.633 271 G HN 0.578 nan 8.290 nan 0.000 0.525 272 R N -0.776 119.670 120.500 -0.090 0.000 2.939 272 R HA 0.779 5.120 4.340 0.003 0.000 0.254 272 R C -0.102 176.163 176.300 -0.059 0.000 1.123 272 R CA -0.997 55.063 56.100 -0.066 0.000 1.020 272 R CB 1.156 31.416 30.300 -0.067 0.000 1.206 272 R HN 0.136 nan 8.270 nan 0.000 0.491 273 L N 1.986 123.185 121.223 -0.040 0.000 2.375 273 L HA 0.386 4.728 4.340 0.003 0.000 0.271 273 L C -1.986 174.868 176.870 -0.027 0.000 1.107 273 L CA -2.078 52.743 54.840 -0.031 0.000 0.806 273 L CB 0.834 42.881 42.059 -0.021 0.000 1.146 273 L HN 0.238 nan 8.230 nan 0.000 0.447 274 P HA 0.097 nan 4.420 nan 0.000 0.269 274 P C -1.040 176.258 177.300 -0.004 0.000 1.209 274 P CA -0.051 63.043 63.100 -0.011 0.000 0.776 274 P CB 1.012 32.708 31.700 -0.006 0.000 0.876 275 V N 3.962 123.877 119.914 0.003 0.000 2.808 275 V HA 0.493 4.615 4.120 0.003 0.000 0.308 275 V C -1.120 174.980 176.094 0.010 0.000 1.099 275 V CA -0.890 61.413 62.300 0.005 0.000 0.920 275 V CB 1.997 33.823 31.823 0.004 0.000 1.014 275 V HN 0.290 nan 8.190 nan 0.000 0.425 276 M N 4.595 124.201 119.600 0.009 0.000 2.209 276 M HA 0.526 5.008 4.480 0.003 0.000 0.355 276 M C -0.257 176.048 176.300 0.009 0.000 1.171 276 M CA -0.003 55.303 55.300 0.011 0.000 1.069 276 M CB 0.812 33.418 32.600 0.010 0.000 1.622 276 M HN 0.691 nan 8.290 nan 0.000 0.459 277 T N 4.410 118.969 114.554 0.009 0.000 2.848 277 T HA 0.641 4.992 4.350 0.003 0.000 0.285 277 T C -0.092 174.610 174.700 0.003 0.000 0.995 277 T CA -0.825 61.278 62.100 0.005 0.000 0.970 277 T CB 1.549 70.419 68.868 0.005 0.000 0.976 277 T HN 0.436 nan 8.240 nan 0.000 0.441 278 M N 3.464 123.064 119.600 0.000 0.000 2.188 278 M HA 0.477 4.959 4.480 0.003 0.000 0.357 278 M C -0.367 175.928 176.300 -0.009 0.000 1.204 278 M CA -0.816 54.482 55.300 -0.003 0.000 1.095 278 M CB 0.132 32.731 32.600 -0.002 0.000 1.604 278 M HN 0.502 nan 8.290 nan 0.000 0.464 279 I N 6.009 126.570 120.570 -0.015 0.000 2.330 279 I HA 0.323 4.495 4.170 0.003 0.000 0.286 279 I C -2.081 174.020 176.117 -0.026 0.000 1.025 279 I CA -1.630 59.657 61.300 -0.023 0.000 1.197 279 I CB 1.440 39.420 38.000 -0.033 0.000 1.358 279 I HN 0.357 nan 8.210 nan 0.000 0.467 280 P HA 0.231 nan 4.420 nan 0.000 0.280 280 P C -0.711 176.572 177.300 -0.028 0.000 1.272 280 P CA -0.122 62.965 63.100 -0.022 0.000 0.819 280 P CB 0.844 32.534 31.700 -0.017 0.000 1.122 281 D N -2.189 118.194 120.400 -0.029 0.000 2.772 281 D HA -0.105 4.537 4.640 0.003 0.000 0.233 281 D C -0.336 175.939 176.300 -0.041 0.000 1.143 281 D CA 0.622 54.603 54.000 -0.032 0.000 0.700 281 D CB -2.076 38.708 40.800 -0.027 0.000 1.076 281 D HN 0.074 nan 8.370 nan 0.000 0.430 282 V N 1.131 121.016 119.914 -0.048 0.000 2.455 282 V HA 0.051 4.173 4.120 0.003 0.000 0.273 282 V C 1.529 177.582 176.094 -0.068 0.000 1.045 282 V CA -0.093 62.169 62.300 -0.063 0.000 0.976 282 V CB 1.590 33.367 31.823 -0.076 0.000 0.993 282 V HN 0.038 nan 8.190 nan 0.000 0.475 283 D N 2.066 122.421 120.400 -0.074 0.000 2.183 283 D HA 0.015 4.657 4.640 0.003 0.000 0.205 283 D C 0.608 176.851 176.300 -0.095 0.000 0.962 283 D CA 0.904 54.854 54.000 -0.083 0.000 0.849 283 D CB 0.505 41.249 40.800 -0.093 0.000 0.978 283 D HN 0.556 nan 8.370 nan 0.000 0.488 284 C N 1.742 120.981 119.300 -0.102 0.000 2.381 284 C HA 0.582 5.044 4.460 0.003 0.000 0.328 284 C C -1.092 173.817 174.990 -0.135 0.000 1.190 284 C CA -0.917 58.037 59.018 -0.107 0.000 1.369 284 C CB -0.259 27.422 27.740 -0.097 0.000 2.029 284 C HN 0.133 nan 8.230 nan 0.000 0.448 285 L N 7.166 128.283 121.223 -0.178 0.000 2.280 285 L HA 0.721 5.062 4.340 0.003 0.000 0.287 285 L C -1.003 175.650 176.870 -0.363 0.000 1.023 285 L CA -0.155 54.500 54.840 -0.307 0.000 0.819 285 L CB 1.211 43.047 42.059 -0.371 0.000 1.212 285 L HN 0.786 nan 8.230 nan 0.000 0.420 286 L N 5.485 126.495 121.223 -0.356 0.000 2.343 286 L HA 0.505 4.847 4.340 0.003 0.000 0.278 286 L C -1.352 175.362 176.870 -0.261 0.000 0.996 286 L CA -0.463 54.238 54.840 -0.231 0.000 0.831 286 L CB 1.030 43.028 42.059 -0.103 0.000 1.232 286 L HN 0.692 nan 8.230 nan 0.000 0.413 287 W N 5.016 126.302 121.300 -0.024 0.000 2.388 287 W HA 0.513 5.174 4.660 0.002 0.000 0.308 287 W C 0.373 176.867 176.519 -0.041 0.000 1.263 287 W CA -0.568 56.760 57.345 -0.029 0.000 1.286 287 W CB 1.196 30.641 29.460 -0.026 0.000 1.294 287 W HN 0.589 nan 8.180 nan 0.000 0.493 288 A N 5.314 128.237 122.820 0.173 0.000 3.297 288 A HA 0.326 4.648 4.320 0.003 0.000 0.304 288 A C 0.358 177.981 177.584 0.066 0.000 0.963 288 A CA -0.450 51.624 52.037 0.061 0.000 0.935 288 A CB -0.638 18.343 19.000 -0.032 0.000 1.093 288 A HN 0.801 nan 8.150 nan 0.000 0.480 289 I N -3.615 117.016 120.570 0.102 0.000 4.057 289 I HA 0.641 4.813 4.170 0.003 0.000 0.334 289 I C 0.623 176.771 176.117 0.051 0.000 1.308 289 I CA 0.162 61.512 61.300 0.084 0.000 1.125 289 I CB 0.688 38.750 38.000 0.102 0.000 1.034 289 I HN 0.444 nan 8.210 nan 0.000 0.401 290 G N 1.267 110.091 108.800 0.040 0.000 2.359 290 G HA2 0.308 4.270 3.960 0.003 0.000 0.293 290 G HA3 0.308 4.270 3.960 0.003 0.000 0.293 290 G C -1.739 173.185 174.900 0.040 0.000 1.300 290 G CA -1.033 44.094 45.100 0.044 0.000 0.888 290 G HN 0.093 nan 8.290 nan 0.000 0.541 291 R N -0.858 119.677 120.500 0.059 0.000 2.744 291 R HA 0.732 5.074 4.340 0.003 0.000 0.279 291 R C -1.063 175.273 176.300 0.060 0.000 0.977 291 R CA -0.712 55.425 56.100 0.060 0.000 0.906 291 R CB 2.130 32.482 30.300 0.087 0.000 1.197 291 R HN 0.503 nan 8.270 nan 0.000 0.463 292 V N 3.731 123.658 119.914 0.022 0.000 2.555 292 V HA 0.409 4.530 4.120 0.003 0.000 0.302 292 V C -2.003 174.076 176.094 -0.026 0.000 1.038 292 V CA -2.082 60.200 62.300 -0.030 0.000 0.887 292 V CB 2.210 34.008 31.823 -0.043 0.000 0.991 292 V HN 0.633 nan 8.190 nan 0.000 0.434 293 P HA 0.119 nan 4.420 nan 0.000 0.274 293 P C -0.761 176.532 177.300 -0.011 0.000 1.231 293 P CA -0.403 62.687 63.100 -0.017 0.000 0.790 293 P CB 0.757 32.425 31.700 -0.054 0.000 0.951 294 N N 1.557 120.272 118.700 0.025 0.000 2.918 294 N HA 0.111 4.853 4.740 0.003 0.000 0.247 294 N C 0.484 176.025 175.510 0.052 0.000 1.117 294 N CA 0.046 53.115 53.050 0.032 0.000 1.005 294 N CB -0.460 38.047 38.487 0.034 0.000 1.297 294 N HN 0.395 nan 8.380 nan 0.000 0.513 295 T N -3.035 111.547 114.554 0.046 0.000 3.041 295 T HA 0.165 4.517 4.350 0.003 0.000 0.276 295 T C 1.719 176.462 174.700 0.072 0.000 0.948 295 T CA 0.300 62.439 62.100 0.066 0.000 0.885 295 T CB 0.062 68.960 68.868 0.051 0.000 1.175 295 T HN 0.207 nan 8.240 nan 0.000 0.529 296 K N 2.106 122.539 120.400 0.056 0.000 2.103 296 K HA -0.059 4.263 4.320 0.003 0.000 0.207 296 K C 1.463 178.109 176.600 0.076 0.000 1.048 296 K CA 1.810 58.127 56.287 0.050 0.000 0.930 296 K CB -0.940 31.578 32.500 0.029 0.000 0.716 296 K HN 0.557 nan 8.250 nan 0.000 0.444 297 D N -0.570 119.900 120.400 0.117 0.000 2.525 297 D HA 0.214 4.856 4.640 0.003 0.000 0.229 297 D C 0.889 177.339 176.300 0.251 0.000 1.202 297 D CA -0.181 53.912 54.000 0.154 0.000 0.828 297 D CB 0.485 41.337 40.800 0.087 0.000 1.008 297 D HN 0.308 nan 8.370 nan 0.000 0.493 298 L N -0.114 121.221 121.223 0.185 0.000 2.558 298 L HA -0.004 4.338 4.340 0.003 0.000 0.225 298 L C 0.479 177.485 176.870 0.227 0.000 1.128 298 L CA 0.210 55.151 54.840 0.170 0.000 0.868 298 L CB -0.065 42.111 42.059 0.195 0.000 1.006 298 L HN -0.112 nan 8.230 nan 0.000 0.454 299 S N -0.211 115.598 115.700 0.181 0.000 3.641 299 S HA -0.184 4.287 4.470 0.003 0.000 0.346 299 S C 1.269 175.976 174.600 0.179 0.000 1.074 299 S CA 0.222 58.521 58.200 0.165 0.000 1.026 299 S CB -1.636 61.663 63.200 0.165 0.000 0.908 299 S HN 0.356 nan 8.310 nan 0.000 0.479 300 L N 1.293 122.602 121.223 0.144 0.000 2.127 300 L HA -0.224 4.118 4.340 0.003 0.000 0.211 300 L C 2.603 179.458 176.870 -0.025 0.000 1.089 300 L CA 1.876 56.737 54.840 0.034 0.000 0.757 300 L CB -0.619 41.455 42.059 0.026 0.000 0.899 300 L HN 0.720 nan 8.230 nan 0.000 0.434 301 N N 0.786 119.493 118.700 0.012 0.000 2.272 301 N HA -0.240 4.502 4.740 0.003 0.000 0.185 301 N C 1.472 176.979 175.510 -0.006 0.000 1.014 301 N CA 1.276 54.325 53.050 -0.001 0.000 0.870 301 N CB -0.262 38.234 38.487 0.015 0.000 0.975 301 N HN 0.405 nan 8.380 nan 0.000 0.433 302 K N 0.114 120.523 120.400 0.015 0.000 2.283 302 K HA 0.078 4.400 4.320 0.003 0.000 0.202 302 K C 1.410 178.000 176.600 -0.017 0.000 1.048 302 K CA 0.706 57.005 56.287 0.021 0.000 0.948 302 K CB 0.117 32.659 32.500 0.069 0.000 0.742 302 K HN 0.266 nan 8.250 nan 0.000 0.458 303 L N -0.804 120.373 121.223 -0.076 0.000 2.858 303 L HA 0.213 4.555 4.340 0.003 0.000 0.251 303 L C 0.716 177.517 176.870 -0.116 0.000 1.149 303 L CA -0.123 54.644 54.840 -0.122 0.000 0.955 303 L CB 0.860 42.770 42.059 -0.247 0.000 1.289 303 L HN 0.270 nan 8.230 nan 0.000 0.542 304 G N 1.520 110.269 108.800 -0.086 0.000 2.198 304 G HA2 -0.296 3.666 3.960 0.003 0.000 0.260 304 G HA3 -0.296 3.666 3.960 0.003 0.000 0.260 304 G C 0.215 175.063 174.900 -0.087 0.000 1.025 304 G CA -0.046 45.013 45.100 -0.069 0.000 0.769 304 G HN 0.315 nan 8.290 nan 0.000 0.507 305 I N 0.557 121.053 120.570 -0.124 0.000 2.533 305 I HA 0.121 4.293 4.170 0.003 0.000 0.284 305 I C 1.075 177.153 176.117 -0.065 0.000 1.109 305 I CA 0.036 61.260 61.300 -0.126 0.000 1.412 305 I CB 0.990 38.871 38.000 -0.199 0.000 1.396 305 I HN 0.311 nan 8.210 nan 0.000 0.543 306 Q N 5.776 125.549 119.800 -0.046 0.000 2.304 306 Q HA 0.254 4.596 4.340 0.003 0.000 0.260 306 Q C -0.484 175.515 176.000 -0.001 0.000 0.965 306 Q CA -0.283 55.508 55.803 -0.020 0.000 0.898 306 Q CB 0.894 29.623 28.738 -0.015 0.000 1.196 306 Q HN 0.780 nan 8.270 nan 0.000 0.402 307 T N 0.144 114.704 114.554 0.009 0.000 2.916 307 T HA 0.408 4.760 4.350 0.003 0.000 0.292 307 T C -0.506 174.213 174.700 0.032 0.000 1.064 307 T CA -1.017 61.100 62.100 0.027 0.000 1.011 307 T CB 1.392 70.272 68.868 0.020 0.000 1.152 307 T HN 0.672 nan 8.240 nan 0.000 0.510 308 D N 0.048 120.483 120.400 0.058 0.000 2.447 308 D HA 0.201 4.843 4.640 0.003 0.000 0.265 308 D C 0.432 176.750 176.300 0.030 0.000 1.250 308 D CA -0.598 53.435 54.000 0.056 0.000 1.046 308 D CB 0.047 40.909 40.800 0.103 0.000 1.095 308 D HN 0.413 nan 8.370 nan 0.000 0.555 309 D N -1.015 119.401 120.400 0.027 0.000 2.310 309 D HA -0.082 4.560 4.640 0.003 0.000 0.212 309 D C 1.108 177.402 176.300 -0.011 0.000 0.965 309 D CA 0.915 54.920 54.000 0.008 0.000 0.879 309 D CB -0.001 40.805 40.800 0.010 0.000 0.921 309 D HN 0.438 nan 8.370 nan 0.000 0.510 310 K N -0.718 119.668 120.400 -0.023 0.000 2.404 310 K HA 0.223 4.544 4.320 0.003 0.000 0.194 310 K C 1.104 177.564 176.600 -0.234 0.000 1.023 310 K CA 0.383 56.601 56.287 -0.115 0.000 1.094 310 K CB 0.885 33.309 32.500 -0.126 0.000 0.841 310 K HN 0.089 nan 8.250 nan 0.000 0.523 311 G N 1.338 110.049 108.800 -0.149 0.000 2.157 311 G HA2 -0.250 3.712 3.960 0.003 0.000 0.239 311 G HA3 -0.250 3.712 3.960 0.003 0.000 0.239 311 G C -0.473 174.358 174.900 -0.115 0.000 0.982 311 G CA -0.216 44.812 45.100 -0.120 0.000 0.650 311 G HN 0.464 nan 8.290 nan 0.000 0.527 312 H N -0.167 118.915 119.070 0.019 0.000 2.732 312 H HA 0.502 5.061 4.556 0.004 0.000 0.351 312 H C 1.164 176.502 175.328 0.017 0.000 1.090 312 H CA -0.118 55.942 56.048 0.019 0.000 1.431 312 H CB 0.807 30.576 29.762 0.012 0.000 1.447 312 H HN 0.281 nan 8.280 nan 0.000 0.582 313 I N 3.985 124.646 120.570 0.153 0.000 2.533 313 I HA -0.052 4.120 4.170 0.003 0.000 0.284 313 I C 0.038 176.200 176.117 0.075 0.000 1.109 313 I CA -0.050 61.305 61.300 0.091 0.000 1.412 313 I CB 0.352 38.403 38.000 0.084 0.000 1.396 313 I HN 0.375 nan 8.210 nan 0.000 0.543 314 I N 7.615 128.213 120.570 0.047 0.000 2.441 314 I HA 0.238 4.409 4.170 0.003 0.000 0.287 314 I C 0.281 176.411 176.117 0.023 0.000 1.049 314 I CA -0.072 61.243 61.300 0.026 0.000 1.381 314 I CB 0.855 38.864 38.000 0.015 0.000 1.409 314 I HN 0.278 nan 8.210 nan 0.000 0.523 315 V N 2.858 122.781 119.914 0.015 0.000 3.040 315 V HA 0.706 4.827 4.120 0.003 0.000 0.312 315 V C -0.533 175.573 176.094 0.019 0.000 1.115 315 V CA -0.978 61.343 62.300 0.035 0.000 0.998 315 V CB 2.118 33.977 31.823 0.059 0.000 1.042 315 V HN 0.722 nan 8.190 nan 0.000 0.433 316 D N 0.777 121.212 120.400 0.058 0.000 2.478 316 D HA 0.183 4.825 4.640 0.003 0.000 0.274 316 D C 0.993 177.303 176.300 0.017 0.000 1.234 316 D CA 0.141 54.171 54.000 0.051 0.000 1.069 316 D CB 0.457 41.329 40.800 0.120 0.000 1.113 316 D HN 0.857 nan 8.370 nan 0.000 0.571 317 E N -0.970 119.193 120.200 -0.061 0.000 2.338 317 E HA -0.121 4.231 4.350 0.003 0.000 0.197 317 E C 0.892 177.326 176.600 -0.276 0.000 1.007 317 E CA 0.726 56.999 56.400 -0.212 0.000 0.849 317 E CB -0.558 28.926 29.700 -0.360 0.000 0.774 317 E HN 0.434 nan 8.360 nan 0.000 0.506 318 F N 1.055 121.053 119.950 0.081 0.000 2.641 318 F HA 0.195 4.724 4.527 0.003 0.000 0.302 318 F C 0.330 176.201 175.800 0.118 0.000 1.098 318 F CA -0.390 57.661 58.000 0.086 0.000 1.318 318 F CB 0.577 39.620 39.000 0.071 0.000 1.035 318 F HN -0.178 nan 8.300 nan 0.000 0.551 319 Q N -0.909 119.039 119.800 0.246 0.000 2.460 319 Q HA -0.214 4.128 4.340 0.003 0.000 0.248 319 Q C -0.883 175.308 176.000 0.319 0.000 0.847 319 Q CA 0.444 56.391 55.803 0.240 0.000 1.214 319 Q CB -2.476 26.400 28.738 0.231 0.000 1.523 319 Q HN 0.412 nan 8.270 nan 0.000 0.602 320 N N 1.973 120.862 118.700 0.316 0.000 2.520 320 N HA 0.140 4.882 4.740 0.003 0.000 0.273 320 N C 0.918 176.492 175.510 0.107 0.000 1.155 320 N CA 0.806 54.007 53.050 0.252 0.000 0.967 320 N CB 0.960 39.569 38.487 0.203 0.000 1.092 320 N HN 0.386 nan 8.380 nan 0.000 0.457 321 T N -0.950 113.612 114.554 0.014 0.000 2.715 321 T HA 0.019 4.371 4.350 0.003 0.000 0.320 321 T C 1.331 176.012 174.700 -0.031 0.000 1.046 321 T CA -0.485 61.603 62.100 -0.021 0.000 0.983 321 T CB 0.295 69.120 68.868 -0.072 0.000 1.183 321 T HN 0.563 nan 8.240 nan 0.000 0.522 322 N N -0.508 118.168 118.700 -0.041 0.000 2.521 322 N HA 0.001 4.743 4.740 0.003 0.000 0.188 322 N C -0.227 175.244 175.510 -0.064 0.000 1.146 322 N CA -0.039 52.987 53.050 -0.039 0.000 0.893 322 N CB -0.328 38.139 38.487 -0.033 0.000 0.975 322 N HN 0.380 nan 8.380 nan 0.000 0.451 323 V N 1.132 120.984 119.914 -0.104 0.000 2.409 323 V HA 0.199 4.321 4.120 0.003 0.000 0.291 323 V C -0.011 175.994 176.094 -0.148 0.000 1.020 323 V CA -1.040 61.186 62.300 -0.124 0.000 0.848 323 V CB 1.516 33.241 31.823 -0.164 0.000 0.990 323 V HN -0.051 nan 8.190 nan 0.000 0.430 324 K N 3.018 123.353 120.400 -0.107 0.000 2.511 324 K HA 0.366 4.688 4.320 0.003 0.000 0.280 324 K C 1.237 177.749 176.600 -0.147 0.000 1.008 324 K CA 1.312 57.539 56.287 -0.100 0.000 1.050 324 K CB -0.098 32.372 32.500 -0.049 0.000 0.889 324 K HN 1.123 nan 8.250 nan 0.000 0.484 325 G N 1.908 110.591 108.800 -0.195 0.000 2.179 325 G HA2 -0.261 3.701 3.960 0.003 0.000 0.260 325 G HA3 -0.261 3.701 3.960 0.003 0.000 0.260 325 G C 0.024 174.682 174.900 -0.404 0.000 0.977 325 G CA 0.107 45.093 45.100 -0.190 0.000 0.641 325 G HN 0.488 nan 8.290 nan 0.000 0.533 326 I N -0.148 120.032 120.570 -0.651 0.000 2.498 326 I HA 0.638 4.810 4.170 0.003 0.000 0.290 326 I C -0.241 175.437 176.117 -0.732 0.000 1.032 326 I CA -1.302 59.686 61.300 -0.521 0.000 1.073 326 I CB 1.613 39.468 38.000 -0.242 0.000 1.251 326 I HN 0.029 nan 8.210 nan 0.000 0.426 327 Y N 3.582 123.972 120.300 0.150 0.000 2.633 327 Y HA 0.873 5.425 4.550 0.003 0.000 0.339 327 Y C 0.031 176.009 175.900 0.129 0.000 1.045 327 Y CA -1.138 57.047 58.100 0.143 0.000 1.098 327 Y CB 1.937 40.505 38.460 0.181 0.000 1.296 327 Y HN 0.587 nan 8.280 nan 0.000 0.494 328 A N 0.752 123.732 122.820 0.267 0.000 2.520 328 A HA 0.834 5.156 4.320 0.003 0.000 0.298 328 A C -1.462 176.227 177.584 0.176 0.000 1.051 328 A CA -0.567 51.583 52.037 0.189 0.000 0.690 328 A CB 1.298 20.379 19.000 0.136 0.000 1.281 328 A HN 1.157 nan 8.150 nan 0.000 0.402 329 V N -0.749 119.253 119.914 0.147 0.000 3.130 329 V HA 1.012 5.134 4.120 0.003 0.000 0.310 329 V C 0.473 176.632 176.094 0.108 0.000 1.158 329 V CA 0.267 62.648 62.300 0.136 0.000 1.029 329 V CB 0.955 32.856 31.823 0.131 0.000 1.057 329 V HN 2.980 nan 8.190 nan 0.000 0.436 330 G N 1.984 110.850 108.800 0.110 0.000 2.584 330 G HA2 -0.195 3.767 3.960 0.003 0.000 0.229 330 G HA3 -0.195 3.767 3.960 0.003 0.000 0.229 330 G C 0.014 174.967 174.900 0.089 0.000 1.320 330 G CA 0.625 45.779 45.100 0.090 0.000 0.891 330 G HN 1.095 nan 8.290 nan 0.000 0.573 331 D N -0.627 119.821 120.400 0.081 0.000 2.221 331 D HA -0.037 4.605 4.640 0.003 0.000 0.204 331 D C 2.448 178.823 176.300 0.124 0.000 0.982 331 D CA 1.276 55.332 54.000 0.093 0.000 0.857 331 D CB -0.201 40.652 40.800 0.089 0.000 0.934 331 D HN 0.501 nan 8.370 nan 0.000 0.475 332 V N -0.078 119.906 119.914 0.117 0.000 2.867 332 V HA -0.214 3.907 4.120 0.003 0.000 0.260 332 V C 1.692 177.899 176.094 0.189 0.000 1.099 332 V CA 1.285 63.673 62.300 0.146 0.000 1.122 332 V CB -0.243 31.644 31.823 0.107 0.000 0.708 332 V HN 0.324 nan 8.190 nan 0.000 0.490 333 C N 0.252 119.623 119.300 0.118 0.000 2.696 333 C HA 0.475 4.937 4.460 0.003 0.000 0.264 333 C C 2.010 176.925 174.990 -0.125 0.000 1.288 333 C CA 0.130 59.178 59.018 0.050 0.000 1.717 333 C CB -0.800 26.954 27.740 0.023 0.000 1.893 333 C HN 0.822 nan 8.230 nan 0.000 0.577 334 G N 1.232 109.942 108.800 -0.150 0.000 2.162 334 G HA2 -0.280 3.682 3.960 0.003 0.000 0.260 334 G HA3 -0.280 3.682 3.960 0.003 0.000 0.260 334 G C -0.008 174.735 174.900 -0.262 0.000 0.976 334 G CA 0.557 45.379 45.100 -0.464 0.000 0.655 334 G HN 0.602 nan 8.290 nan 0.000 0.533 335 K N 0.123 120.438 120.400 -0.143 0.000 2.358 335 K HA 0.623 4.945 4.320 0.003 0.000 0.260 335 K C 0.542 177.152 176.600 0.017 0.000 0.956 335 K CA -0.045 56.175 56.287 -0.112 0.000 0.834 335 K CB 1.055 33.415 32.500 -0.233 0.000 1.102 335 K HN 1.678 nan 8.250 nan 0.000 0.431 336 A N 4.425 127.267 122.820 0.037 0.000 2.237 336 A HA -0.129 4.193 4.320 0.003 0.000 0.281 336 A C -0.410 177.222 177.584 0.079 0.000 1.414 336 A CA 0.235 52.320 52.037 0.081 0.000 0.733 336 A CB -1.955 17.155 19.000 0.183 0.000 1.168 336 A HN 0.794 nan 8.150 nan 0.000 0.347 337 L N 1.627 122.892 121.223 0.070 0.000 2.391 337 L HA 0.443 4.785 4.340 0.003 0.000 0.249 337 L C 0.190 177.113 176.870 0.088 0.000 1.308 337 L CA 0.184 55.080 54.840 0.092 0.000 1.209 337 L CB -0.480 41.655 42.059 0.126 0.000 1.401 337 L HN 0.573 nan 8.230 nan 0.000 0.416 338 L N -0.143 121.112 121.223 0.054 0.000 2.393 338 L HA 0.394 4.736 4.340 0.003 0.000 0.260 338 L C 1.182 178.067 176.870 0.025 0.000 1.002 338 L CA -0.465 54.391 54.840 0.027 0.000 0.818 338 L CB 2.220 44.269 42.059 -0.017 0.000 1.369 338 L HN 0.050 nan 8.230 nan 0.000 0.412 339 T N 0.784 115.349 114.554 0.019 0.000 2.708 339 T HA -0.058 4.294 4.350 0.003 0.000 0.266 339 T C -1.149 173.549 174.700 -0.004 0.000 1.037 339 T CA 1.753 63.856 62.100 0.005 0.000 1.146 339 T CB -0.482 68.386 68.868 -0.001 0.000 0.865 339 T HN 0.458 nan 8.240 nan 0.000 0.435 340 P HA 0.037 nan 4.420 nan 0.000 0.222 340 P C 1.429 178.707 177.300 -0.037 0.000 1.147 340 P CA 0.469 63.557 63.100 -0.019 0.000 0.790 340 P CB -0.103 31.584 31.700 -0.022 0.000 0.780 341 V N 0.151 120.043 119.914 -0.037 0.000 2.323 341 V HA -0.176 3.946 4.120 0.003 0.000 0.244 341 V C 2.475 178.552 176.094 -0.029 0.000 1.041 341 V CA 2.059 64.319 62.300 -0.066 0.000 1.025 341 V CB -1.649 30.157 31.823 -0.029 0.000 0.656 341 V HN 0.084 nan 8.190 nan 0.000 0.451 342 A N 0.140 122.968 122.820 0.013 0.000 1.908 342 A HA -0.205 4.116 4.320 0.003 0.000 0.218 342 A C 2.191 179.785 177.584 0.017 0.000 1.181 342 A CA 2.065 54.120 52.037 0.030 0.000 0.627 342 A CB -0.581 18.435 19.000 0.028 0.000 0.818 342 A HN 0.497 nan 8.150 nan 0.000 0.445 343 I N -0.417 120.154 120.570 0.001 0.000 2.142 343 I HA -0.296 3.876 4.170 0.003 0.000 0.240 343 I C 3.004 179.124 176.117 0.006 0.000 1.078 343 I CA 1.201 62.505 61.300 0.005 0.000 1.343 343 I CB -0.395 37.606 38.000 0.001 0.000 1.046 343 I HN 0.372 nan 8.210 nan 0.000 0.405 344 A N 0.613 123.420 122.820 -0.021 0.000 1.898 344 A HA -0.127 4.195 4.320 0.003 0.000 0.216 344 A C 2.524 180.090 177.584 -0.029 0.000 1.181 344 A CA 1.772 53.787 52.037 -0.036 0.000 0.620 344 A CB -0.819 18.131 19.000 -0.083 0.000 0.819 344 A HN 0.439 nan 8.150 nan 0.000 0.442 345 A N -0.443 122.355 122.820 -0.036 0.000 1.902 345 A HA 0.135 4.457 4.320 0.003 0.000 0.217 345 A C 2.403 180.020 177.584 0.056 0.000 1.181 345 A CA 1.892 53.936 52.037 0.011 0.000 0.623 345 A CB -1.365 17.675 19.000 0.067 0.000 0.818 345 A HN 0.710 nan 8.150 nan 0.000 0.443 346 G N -0.557 108.279 108.800 0.060 0.000 2.418 346 G HA2 -0.226 3.736 3.960 0.003 0.000 0.217 346 G HA3 -0.226 3.736 3.960 0.003 0.000 0.217 346 G C 1.794 176.739 174.900 0.075 0.000 1.158 346 G CA 0.930 46.078 45.100 0.080 0.000 0.771 346 G HN 0.564 nan 8.290 nan 0.000 0.545 347 R N -0.003 120.536 120.500 0.065 0.000 2.075 347 R HA 0.048 4.390 4.340 0.003 0.000 0.232 347 R C 2.615 179.000 176.300 0.141 0.000 1.126 347 R CA 0.958 57.111 56.100 0.088 0.000 0.963 347 R CB -0.145 30.216 30.300 0.101 0.000 0.858 347 R HN 0.115 nan 8.270 nan 0.000 0.435 348 K N 0.782 121.245 120.400 0.106 0.000 2.097 348 K HA -0.145 4.177 4.320 0.003 0.000 0.206 348 K C 2.050 178.694 176.600 0.074 0.000 1.049 348 K CA 0.880 57.230 56.287 0.106 0.000 0.933 348 K CB -0.326 32.205 32.500 0.051 0.000 0.717 348 K HN 0.100 nan 8.250 nan 0.000 0.442 349 L N 1.028 122.269 121.223 0.030 0.000 2.056 349 L HA -0.080 4.262 4.340 0.003 0.000 0.207 349 L C 2.188 178.945 176.870 -0.188 0.000 1.078 349 L CA 1.856 56.657 54.840 -0.065 0.000 0.749 349 L CB -0.738 41.298 42.059 -0.040 0.000 0.901 349 L HN 0.112 nan 8.230 nan 0.000 0.433 350 A N -1.304 121.448 122.820 -0.113 0.000 1.908 350 A HA -0.257 4.065 4.320 0.003 0.000 0.218 350 A C 2.232 179.671 177.584 -0.241 0.000 1.181 350 A CA 1.843 53.783 52.037 -0.163 0.000 0.627 350 A CB -1.009 17.925 19.000 -0.110 0.000 0.818 350 A HN 0.681 nan 8.150 nan 0.000 0.445 351 H N -1.089 117.916 119.070 -0.109 0.000 2.423 351 H HA -0.079 4.479 4.556 0.003 0.000 0.297 351 H C 2.299 177.502 175.328 -0.208 0.000 1.075 351 H CA 1.648 57.623 56.048 -0.122 0.000 1.342 351 H CB -0.111 29.613 29.762 -0.064 0.000 1.395 351 H HN 0.565 nan 8.280 nan 0.000 0.530 352 R N 0.854 121.287 120.500 -0.112 0.000 2.073 352 R HA -0.089 4.253 4.340 0.003 0.000 0.234 352 R C 2.353 178.387 176.300 -0.442 0.000 1.134 352 R CA 1.069 57.047 56.100 -0.203 0.000 0.952 352 R CB -0.118 30.093 30.300 -0.148 0.000 0.850 352 R HN 0.203 nan 8.270 nan 0.000 0.433 353 L N -0.922 119.864 121.223 -0.728 0.000 2.131 353 L HA -0.024 4.317 4.340 0.003 0.000 0.206 353 L C 1.441 177.389 176.870 -1.537 0.000 1.087 353 L CA 0.909 54.994 54.840 -1.257 0.000 0.767 353 L CB -0.087 40.819 42.059 -1.923 0.000 0.917 353 L HN 0.187 nan 8.230 nan 0.000 0.441 354 F N -1.446 118.070 119.950 -0.724 0.000 2.706 354 F HA 0.138 4.667 4.527 0.003 0.000 0.308 354 F C 2.012 177.398 175.800 -0.691 0.000 1.095 354 F CA -0.062 57.509 58.000 -0.716 0.000 1.244 354 F CB 0.210 38.915 39.000 -0.492 0.000 1.063 354 F HN -0.050 nan 8.300 nan 0.000 0.582 355 E N -1.054 118.875 120.200 -0.452 0.000 2.526 355 E HA 0.047 4.398 4.350 0.003 0.000 0.208 355 E C -0.317 176.210 176.600 -0.122 0.000 0.997 355 E CA -0.001 56.287 56.400 -0.186 0.000 0.961 355 E CB 0.221 29.954 29.700 0.055 0.000 1.030 355 E HN 0.309 nan 8.360 nan 0.000 0.483 356 Y N -0.562 119.695 120.300 -0.070 0.000 4.177 356 Y HA -0.255 4.297 4.550 0.003 0.000 0.227 356 Y C -0.410 175.458 175.900 -0.053 0.000 1.154 356 Y CA 0.432 58.485 58.100 -0.078 0.000 1.887 356 Y CB -1.783 36.649 38.460 -0.046 0.000 1.594 356 Y HN -0.016 nan 8.280 nan 0.000 0.668 357 K N 2.444 122.848 120.400 0.006 0.000 2.183 357 K HA 0.087 4.409 4.320 0.003 0.000 0.272 357 K C 1.175 177.772 176.600 -0.005 0.000 1.113 357 K CA 0.140 56.441 56.287 0.022 0.000 0.949 357 K CB 0.666 33.183 32.500 0.028 0.000 1.365 357 K HN 0.576 nan 8.250 nan 0.000 0.420 358 E N 1.801 121.992 120.200 -0.015 0.000 2.265 358 E HA -0.211 4.141 4.350 0.003 0.000 0.196 358 E C 0.294 176.865 176.600 -0.049 0.000 0.996 358 E CA 1.383 57.728 56.400 -0.091 0.000 0.832 358 E CB 0.067 29.713 29.700 -0.091 0.000 0.756 358 E HN 0.497 nan 8.360 nan 0.000 0.491 359 D N 0.755 121.204 120.400 0.082 0.000 2.340 359 D HA 0.001 4.643 4.640 0.003 0.000 0.217 359 D C 0.132 176.579 176.300 0.246 0.000 1.081 359 D CA -0.251 53.885 54.000 0.226 0.000 0.842 359 D CB 0.056 40.938 40.800 0.138 0.000 0.934 359 D HN -0.025 nan 8.370 nan 0.000 0.511 360 S N 0.441 116.250 115.700 0.183 0.000 2.455 360 S HA 0.365 4.837 4.470 0.003 0.000 0.278 360 S C -0.219 174.500 174.600 0.199 0.000 1.216 360 S CA -0.574 57.705 58.200 0.132 0.000 1.055 360 S CB -0.148 63.100 63.200 0.079 0.000 0.939 360 S HN 0.459 nan 8.310 nan 0.000 0.494 361 K N 3.146 123.610 120.400 0.105 0.000 2.579 361 K HA 0.501 4.823 4.320 0.003 0.000 0.284 361 K C -1.762 174.826 176.600 -0.021 0.000 0.990 361 K CA -1.152 55.161 56.287 0.043 0.000 0.880 361 K CB 0.518 32.942 32.500 -0.126 0.000 1.488 361 K HN 0.402 nan 8.250 nan 0.000 0.425 362 L N 1.915 123.112 121.223 -0.043 0.000 2.305 362 L HA 0.315 4.657 4.340 0.003 0.000 0.281 362 L C -0.690 176.098 176.870 -0.136 0.000 1.085 362 L CA 0.286 55.031 54.840 -0.158 0.000 0.813 362 L CB 0.989 42.839 42.059 -0.349 0.000 1.157 362 L HN 0.716 nan 8.230 nan 0.000 0.436 363 D N 3.395 123.716 120.400 -0.131 0.000 2.339 363 D HA 0.002 4.644 4.640 0.003 0.000 0.256 363 D C 0.098 176.329 176.300 -0.114 0.000 1.214 363 D CA 0.315 54.279 54.000 -0.060 0.000 0.877 363 D CB 0.471 41.243 40.800 -0.047 0.000 1.111 363 D HN 0.510 nan 8.370 nan 0.000 0.478 364 Y N 2.047 122.317 120.300 -0.050 0.000 2.490 364 Y HA 0.101 4.652 4.550 0.003 0.000 0.281 364 Y C 0.769 176.645 175.900 -0.041 0.000 1.174 364 Y CA -0.252 57.821 58.100 -0.045 0.000 1.295 364 Y CB 0.043 38.472 38.460 -0.051 0.000 1.062 364 Y HN 0.250 nan 8.280 nan 0.000 0.522 365 N N 0.817 119.560 118.700 0.071 0.000 2.530 365 N HA 0.027 4.769 4.740 0.003 0.000 0.277 365 N C -0.004 175.511 175.510 0.008 0.000 1.168 365 N CA 0.008 53.079 53.050 0.036 0.000 0.979 365 N CB 0.377 38.882 38.487 0.030 0.000 1.141 365 N HN 0.266 nan 8.380 nan 0.000 0.459 366 N N -0.483 118.221 118.700 0.008 0.000 2.735 366 N HA -0.192 4.550 4.740 0.003 0.000 0.248 366 N C -0.836 174.662 175.510 -0.020 0.000 1.083 366 N CA 0.145 53.194 53.050 -0.001 0.000 0.703 366 N CB -1.155 37.337 38.487 0.008 0.000 1.005 366 N HN 0.524 nan 8.380 nan 0.000 0.550 367 I N 1.665 122.217 120.570 -0.030 0.000 2.452 367 I HA 0.181 4.353 4.170 0.003 0.000 0.287 367 I C -1.587 174.502 176.117 -0.047 0.000 1.079 367 I CA -1.469 59.802 61.300 -0.048 0.000 1.387 367 I CB 0.400 38.367 38.000 -0.054 0.000 1.404 367 I HN -0.079 nan 8.210 nan 0.000 0.522 368 P HA 0.253 nan 4.420 nan 0.000 0.281 368 P C -0.816 176.446 177.300 -0.063 0.000 1.249 368 P CA -0.330 62.744 63.100 -0.043 0.000 0.810 368 P CB 1.284 32.969 31.700 -0.024 0.000 1.008 369 T N 0.957 115.469 114.554 -0.071 0.000 2.861 369 T HA 0.410 4.762 4.350 0.003 0.000 0.287 369 T C -0.479 174.155 174.700 -0.110 0.000 1.003 369 T CA -0.435 61.606 62.100 -0.098 0.000 0.977 369 T CB 1.335 70.143 68.868 -0.099 0.000 0.996 369 T HN 0.091 nan 8.240 nan 0.000 0.448 370 V N 3.047 122.834 119.914 -0.212 0.000 2.555 370 V HA 0.548 4.670 4.120 0.003 0.000 0.302 370 V C -0.389 175.428 176.094 -0.462 0.000 1.038 370 V CA -0.712 61.358 62.300 -0.384 0.000 0.887 370 V CB 2.053 33.505 31.823 -0.618 0.000 0.991 370 V HN 0.719 nan 8.190 nan 0.000 0.434 371 V N 4.834 124.495 119.914 -0.422 0.000 2.398 371 V HA 0.394 4.516 4.120 0.003 0.000 0.286 371 V C -0.321 175.471 176.094 -0.503 0.000 1.026 371 V CA -0.384 61.724 62.300 -0.319 0.000 0.868 371 V CB 1.328 33.037 31.823 -0.190 0.000 0.982 371 V HN 0.731 nan 8.190 nan 0.000 0.443 372 F N 3.123 122.889 119.950 -0.307 0.000 2.669 372 F HA 0.272 4.801 4.527 0.003 0.000 0.353 372 F C 1.307 176.924 175.800 -0.305 0.000 1.192 372 F CA 0.414 58.014 58.000 -0.667 0.000 1.317 372 F CB 0.228 38.552 39.000 -1.127 0.000 1.652 372 F HN 0.532 nan 8.300 nan 0.000 0.608 373 S N 0.167 115.821 115.700 -0.076 0.000 2.632 373 S HA 0.302 4.774 4.470 0.003 0.000 0.267 373 S C -0.175 174.387 174.600 -0.064 0.000 1.193 373 S CA -0.410 57.795 58.200 0.008 0.000 1.003 373 S CB 0.436 63.641 63.200 0.007 0.000 1.073 373 S HN 0.392 nan 8.310 nan 0.000 0.553 374 H N 1.575 120.782 119.070 0.228 0.000 2.866 374 H HA 0.363 4.921 4.556 0.003 0.000 0.287 374 H C -2.452 172.938 175.328 0.102 0.000 1.106 374 H CA -1.520 54.635 56.048 0.178 0.000 1.396 374 H CB 0.962 30.776 29.762 0.088 0.000 1.469 374 H HN 0.452 nan 8.280 nan 0.000 0.500 375 P HA 0.173 nan 4.420 nan 0.000 0.276 375 P C -2.665 174.691 177.300 0.093 0.000 1.261 375 P CA -1.755 61.435 63.100 0.151 0.000 0.800 375 P CB 0.467 32.236 31.700 0.115 0.000 1.066 376 P HA 0.241 nan 4.420 nan 0.000 0.272 376 P C -0.347 176.887 177.300 -0.111 0.000 1.230 376 P CA 0.205 63.253 63.100 -0.086 0.000 0.788 376 P CB 0.585 32.178 31.700 -0.178 0.000 0.949 377 I N 0.419 120.875 120.570 -0.191 0.000 2.441 377 I HA 0.561 4.733 4.170 0.003 0.000 0.295 377 I C 0.797 176.831 176.117 -0.139 0.000 0.994 377 I CA -0.344 60.880 61.300 -0.127 0.000 1.144 377 I CB 1.938 39.858 38.000 -0.135 0.000 1.314 377 I HN 0.351 nan 8.210 nan 0.000 0.445 378 G N 2.423 111.192 108.800 -0.052 0.000 2.542 378 G HA2 0.634 4.596 3.960 0.003 0.000 0.311 378 G HA3 0.634 4.596 3.960 0.003 0.000 0.311 378 G C -1.266 173.658 174.900 0.040 0.000 1.298 378 G CA -0.372 44.707 45.100 -0.035 0.000 0.973 378 G HN 0.468 nan 8.290 nan 0.000 0.487 379 T N -0.510 114.072 114.554 0.047 0.000 2.923 379 T HA 0.640 4.992 4.350 0.003 0.000 0.311 379 T C -1.674 173.014 174.700 -0.019 0.000 1.183 379 T CA -0.469 61.669 62.100 0.064 0.000 1.020 379 T CB 1.905 70.918 68.868 0.242 0.000 1.165 379 T HN 1.125 nan 8.240 nan 0.000 0.482 380 V N 3.884 123.744 119.914 -0.090 0.000 2.932 380 V HA 0.838 4.960 4.120 0.003 0.000 0.307 380 V C 0.371 176.415 176.094 -0.084 0.000 1.147 380 V CA 1.080 63.342 62.300 -0.062 0.000 0.951 380 V CB 1.156 32.964 31.823 -0.026 0.000 1.031 380 V HN 1.785 nan 8.190 nan 0.000 0.426 381 G N 4.636 113.425 108.800 -0.018 0.000 2.584 381 G HA2 -0.146 3.816 3.960 0.003 0.000 0.229 381 G HA3 -0.146 3.816 3.960 0.003 0.000 0.229 381 G C -0.699 174.252 174.900 0.085 0.000 1.320 381 G CA -0.186 44.925 45.100 0.018 0.000 0.891 381 G HN 1.219 nan 8.290 nan 0.000 0.573 382 L N 1.666 122.961 121.223 0.119 0.000 2.349 382 L HA 0.462 4.804 4.340 0.003 0.000 0.275 382 L C 1.806 178.832 176.870 0.261 0.000 1.115 382 L CA -0.106 54.824 54.840 0.150 0.000 0.820 382 L CB 1.021 43.168 42.059 0.148 0.000 1.135 382 L HN 1.045 nan 8.230 nan 0.000 0.445 383 T N -1.881 112.738 114.554 0.110 0.000 2.795 383 T HA -0.028 4.324 4.350 0.003 0.000 0.314 383 T C 1.011 175.736 174.700 0.042 0.000 1.069 383 T CA -0.304 61.764 62.100 -0.053 0.000 1.071 383 T CB 1.069 69.854 68.868 -0.138 0.000 0.988 383 T HN 0.789 nan 8.240 nan 0.000 0.543 384 E N 0.491 120.689 120.200 -0.003 0.000 2.085 384 E HA -0.235 4.117 4.350 0.003 0.000 0.194 384 E C 1.354 177.977 176.600 0.038 0.000 0.994 384 E CA 1.741 58.162 56.400 0.035 0.000 0.801 384 E CB -0.131 29.574 29.700 0.009 0.000 0.743 384 E HN 0.722 nan 8.360 nan 0.000 0.453 385 D N 0.291 120.698 120.400 0.011 0.000 2.144 385 D HA -0.135 4.507 4.640 0.003 0.000 0.200 385 D C 1.755 178.086 176.300 0.053 0.000 0.978 385 D CA 0.948 54.962 54.000 0.023 0.000 0.833 385 D CB -0.161 40.636 40.800 -0.006 0.000 0.961 385 D HN 0.356 nan 8.370 nan 0.000 0.470 386 E N 0.807 121.032 120.200 0.043 0.000 2.077 386 E HA -0.115 4.237 4.350 0.003 0.000 0.193 386 E C 2.120 178.790 176.600 0.117 0.000 0.989 386 E CA 1.001 57.444 56.400 0.071 0.000 0.800 386 E CB -0.025 29.701 29.700 0.042 0.000 0.746 386 E HN 0.179 nan 8.360 nan 0.000 0.452 387 A N 1.089 123.995 122.820 0.144 0.000 1.902 387 A HA -0.177 4.145 4.320 0.003 0.000 0.217 387 A C 2.177 179.897 177.584 0.227 0.000 1.181 387 A CA 1.099 53.284 52.037 0.247 0.000 0.623 387 A CB -0.583 18.559 19.000 0.237 0.000 0.818 387 A HN 0.148 nan 8.150 nan 0.000 0.443 388 I N -1.320 119.337 120.570 0.144 0.000 2.226 388 I HA -0.283 3.889 4.170 0.003 0.000 0.245 388 I C 2.508 178.687 176.117 0.102 0.000 1.100 388 I CA 1.859 63.227 61.300 0.115 0.000 1.374 388 I CB -0.435 37.612 38.000 0.078 0.000 1.057 388 I HN 0.579 nan 8.210 nan 0.000 0.413 389 H N 1.249 120.327 119.070 0.013 0.000 2.353 389 H HA -0.208 4.350 4.556 0.003 0.000 0.300 389 H C 2.237 177.531 175.328 -0.056 0.000 1.090 389 H CA 2.053 58.090 56.048 -0.019 0.000 1.327 389 H CB 0.040 29.785 29.762 -0.028 0.000 1.383 389 H HN 0.136 nan 8.280 nan 0.000 0.508 390 K N -1.019 119.286 120.400 -0.157 0.000 2.062 390 K HA -0.119 4.203 4.320 0.003 0.000 0.205 390 K C 1.217 177.560 176.600 -0.428 0.000 1.051 390 K CA 1.463 57.517 56.287 -0.387 0.000 0.941 390 K CB -0.040 32.155 32.500 -0.508 0.000 0.719 390 K HN 0.396 nan 8.250 nan 0.000 0.440 391 Y N -0.422 119.845 120.300 -0.055 0.000 2.481 391 Y HA 0.257 4.809 4.550 0.003 0.000 0.258 391 Y C 0.636 176.510 175.900 -0.043 0.000 1.103 391 Y CA 0.150 58.225 58.100 -0.042 0.000 1.287 391 Y CB 1.384 39.832 38.460 -0.019 0.000 1.108 391 Y HN 0.260 nan 8.280 nan 0.000 0.529 392 G N 0.798 109.648 108.800 0.083 0.000 2.788 392 G HA2 -0.225 3.737 3.960 0.003 0.000 0.686 392 G HA3 -0.225 3.737 3.960 0.003 0.000 0.686 392 G C 0.268 175.203 174.900 0.057 0.000 1.147 392 G CA -0.228 44.899 45.100 0.044 0.000 0.755 392 G HN 0.315 nan 8.290 nan 0.000 0.634 393 I N 0.318 120.909 120.570 0.035 0.000 2.335 393 I HA -0.104 4.068 4.170 0.003 0.000 0.251 393 I C 2.082 178.208 176.117 0.014 0.000 1.129 393 I CA 1.792 63.108 61.300 0.027 0.000 1.402 393 I CB 0.066 38.077 38.000 0.018 0.000 1.069 393 I HN 0.620 nan 8.210 nan 0.000 0.424 394 E N 0.739 120.947 120.200 0.012 0.000 2.482 394 E HA -0.037 4.315 4.350 0.003 0.000 0.196 394 E C 0.661 177.260 176.600 -0.001 0.000 1.047 394 E CA 0.372 56.773 56.400 0.002 0.000 0.869 394 E CB -0.279 29.422 29.700 0.002 0.000 0.836 394 E HN 0.613 nan 8.360 nan 0.000 0.520 395 N N 0.246 118.952 118.700 0.011 0.000 2.204 395 N HA 0.074 4.815 4.740 0.003 0.000 0.219 395 N C -0.460 175.028 175.510 -0.036 0.000 1.151 395 N CA 0.084 53.132 53.050 -0.003 0.000 0.867 395 N CB 1.875 40.382 38.487 0.033 0.000 1.043 395 N HN -0.112 nan 8.380 nan 0.000 0.516 396 V N 0.892 120.793 119.914 -0.022 0.000 2.604 396 V HA 0.381 4.503 4.120 0.003 0.000 0.305 396 V C -0.100 175.957 176.094 -0.061 0.000 1.043 396 V CA -0.810 61.466 62.300 -0.040 0.000 0.888 396 V CB 2.783 34.613 31.823 0.012 0.000 0.995 396 V HN -0.056 nan 8.190 nan 0.000 0.429 397 K N 2.467 122.815 120.400 -0.087 0.000 2.427 397 K HA 0.716 5.038 4.320 0.003 0.000 0.252 397 K C -0.503 175.988 176.600 -0.181 0.000 0.931 397 K CA -0.392 55.800 56.287 -0.159 0.000 0.793 397 K CB 2.109 34.489 32.500 -0.199 0.000 1.211 397 K HN 0.887 nan 8.250 nan 0.000 0.426 398 T N -0.003 114.406 114.554 -0.241 0.000 2.888 398 T HA 0.496 4.848 4.350 0.003 0.000 0.284 398 T C -0.852 173.637 174.700 -0.351 0.000 1.017 398 T CA -0.542 61.459 62.100 -0.165 0.000 1.022 398 T CB 0.648 69.479 68.868 -0.061 0.000 1.013 398 T HN 0.388 nan 8.240 nan 0.000 0.465 399 Y N 0.837 121.119 120.300 -0.031 0.000 2.446 399 Y HA 0.646 5.198 4.550 0.003 0.000 0.345 399 Y C 0.567 176.463 175.900 -0.007 0.000 0.984 399 Y CA -0.624 57.462 58.100 -0.024 0.000 1.058 399 Y CB 2.544 40.977 38.460 -0.045 0.000 1.220 399 Y HN 1.116 nan 8.280 nan 0.000 0.455 400 S N 0.516 116.307 115.700 0.152 0.000 2.607 400 S HA 0.851 5.323 4.470 0.003 0.000 0.273 400 S C -1.045 173.627 174.600 0.120 0.000 1.148 400 S CA -0.779 57.489 58.200 0.113 0.000 0.833 400 S CB 2.323 65.568 63.200 0.076 0.000 1.130 400 S HN 0.639 nan 8.310 nan 0.000 0.470 401 T N 0.015 114.649 114.554 0.133 0.000 2.868 401 T HA 0.751 5.103 4.350 0.003 0.000 0.306 401 T C -1.668 173.145 174.700 0.187 0.000 1.224 401 T CA -0.350 61.853 62.100 0.171 0.000 1.012 401 T CB 1.792 70.784 68.868 0.207 0.000 1.221 401 T HN 1.048 nan 8.240 nan 0.000 0.499 402 S N 2.064 117.885 115.700 0.202 0.000 2.571 402 S HA 0.873 5.345 4.470 0.003 0.000 0.284 402 S C -1.509 173.244 174.600 0.254 0.000 1.128 402 S CA -0.684 57.600 58.200 0.139 0.000 0.970 402 S CB 0.360 63.602 63.200 0.069 0.000 1.039 402 S HN 0.682 nan 8.310 nan 0.000 0.485 403 F N 0.143 120.131 119.950 0.062 0.000 2.711 403 F HA 0.693 5.222 4.527 0.003 0.000 0.313 403 F C -0.756 175.097 175.800 0.088 0.000 1.141 403 F CA -0.927 57.116 58.000 0.071 0.000 0.941 403 F CB 0.959 40.004 39.000 0.075 0.000 1.349 403 F HN 0.282 nan 8.300 nan 0.000 0.464 404 T N 2.845 117.549 114.554 0.251 0.000 2.733 404 T HA 0.461 4.813 4.350 0.003 0.000 0.294 404 T C -2.609 172.310 174.700 0.365 0.000 0.956 404 T CA -1.021 61.195 62.100 0.194 0.000 0.987 404 T CB 0.818 69.790 68.868 0.174 0.000 0.920 404 T HN 0.325 nan 8.240 nan 0.000 0.470 405 P HA 0.087 nan 4.420 nan 0.000 0.266 405 P C 1.026 178.524 177.300 0.331 0.000 1.193 405 P CA -0.162 63.179 63.100 0.402 0.000 0.770 405 P CB 0.491 32.373 31.700 0.305 0.000 0.836 406 M N 2.756 122.519 119.600 0.272 0.000 2.358 406 M HA -0.205 4.277 4.480 0.003 0.000 0.264 406 M C 1.599 178.001 176.300 0.171 0.000 1.064 406 M CA 1.508 56.921 55.300 0.187 0.000 1.093 406 M CB -0.464 32.214 32.600 0.129 0.000 1.401 406 M HN 0.385 nan 8.290 nan 0.000 0.440 407 Y N 0.426 120.773 120.300 0.079 0.000 2.139 407 Y HA -0.333 4.219 4.550 0.003 0.000 0.282 407 Y C 1.865 177.798 175.900 0.055 0.000 1.179 407 Y CA 2.102 60.225 58.100 0.038 0.000 1.161 407 Y CB -0.418 37.966 38.460 -0.127 0.000 0.970 407 Y HN 0.349 nan 8.280 nan 0.000 0.511 408 H N -0.501 118.641 119.070 0.120 0.000 2.539 408 H HA 0.298 4.856 4.556 0.003 0.000 0.267 408 H C 2.131 177.446 175.328 -0.022 0.000 0.982 408 H CA 0.505 56.570 56.048 0.028 0.000 1.146 408 H CB -0.253 29.600 29.762 0.151 0.000 1.382 408 H HN 0.522 nan 8.280 nan 0.000 0.577 409 A N 1.021 123.882 122.820 0.069 0.000 2.024 409 A HA -0.117 4.205 4.320 0.003 0.000 0.220 409 A C 2.195 179.749 177.584 -0.050 0.000 1.164 409 A CA 1.897 53.951 52.037 0.028 0.000 0.643 409 A CB -0.427 18.588 19.000 0.026 0.000 0.806 409 A HN 0.298 nan 8.150 nan 0.000 0.451 410 V N -3.143 116.676 119.914 -0.158 0.000 3.380 410 V HA 0.271 4.393 4.120 0.003 0.000 0.307 410 V C 0.475 176.414 176.094 -0.258 0.000 1.434 410 V CA 0.540 62.685 62.300 -0.258 0.000 1.075 410 V CB -0.764 30.793 31.823 -0.443 0.000 0.954 410 V HN 0.504 nan 8.190 nan 0.000 0.444 411 T N -2.744 111.730 114.554 -0.132 0.000 2.918 411 T HA 0.502 4.854 4.350 0.003 0.000 0.286 411 T C 0.491 175.209 174.700 0.030 0.000 1.026 411 T CA -0.520 61.566 62.100 -0.022 0.000 1.031 411 T CB 2.323 71.272 68.868 0.135 0.000 1.046 411 T HN 0.196 nan 8.240 nan 0.000 0.479 412 K N 0.039 120.461 120.400 0.037 0.000 2.167 412 K HA 0.076 4.398 4.320 0.003 0.000 0.203 412 K C 1.321 177.937 176.600 0.027 0.000 1.052 412 K CA 0.361 56.663 56.287 0.026 0.000 0.956 412 K CB 0.123 32.637 32.500 0.022 0.000 0.735 412 K HN 0.485 nan 8.250 nan 0.000 0.451 413 R N 1.665 122.204 120.500 0.066 0.000 2.490 413 R HA 0.063 4.404 4.340 0.003 0.000 0.280 413 R C -0.740 175.511 176.300 -0.082 0.000 1.077 413 R CA 0.071 56.194 56.100 0.038 0.000 1.065 413 R CB 0.541 30.919 30.300 0.130 0.000 1.003 413 R HN -0.208 nan 8.270 nan 0.000 0.470 414 K N 2.227 122.497 120.400 -0.215 0.000 2.422 414 K HA 0.331 4.653 4.320 0.003 0.000 0.251 414 K C -0.836 175.498 176.600 -0.443 0.000 0.933 414 K CA -0.702 55.288 56.287 -0.494 0.000 0.798 414 K CB 2.239 34.604 32.500 -0.225 0.000 1.238 414 K HN 0.855 nan 8.250 nan 0.000 0.428 415 T N -1.865 112.343 114.554 -0.577 0.000 2.916 415 T HA 0.547 4.899 4.350 0.003 0.000 0.292 415 T C -0.339 174.329 174.700 -0.053 0.000 1.055 415 T CA -0.884 61.135 62.100 -0.135 0.000 1.009 415 T CB 2.519 71.437 68.868 0.084 0.000 1.118 415 T HN 0.503 nan 8.240 nan 0.000 0.497 416 K N -0.143 120.231 120.400 -0.044 0.000 2.211 416 K HA 0.689 5.011 4.320 0.003 0.000 0.237 416 K C -1.295 175.205 176.600 -0.168 0.000 1.002 416 K CA -0.944 55.286 56.287 -0.095 0.000 0.885 416 K CB 1.901 34.349 32.500 -0.085 0.000 1.136 416 K HN 0.785 nan 8.250 nan 0.000 0.448 417 C N 3.021 122.077 119.300 -0.407 0.000 2.369 417 C HA 0.673 5.135 4.460 0.003 0.000 0.322 417 C C -0.978 173.765 174.990 -0.411 0.000 1.258 417 C CA -0.392 58.322 59.018 -0.507 0.000 1.487 417 C CB 0.071 27.209 27.740 -1.003 0.000 2.165 417 C HN 0.537 nan 8.230 nan 0.000 0.483 418 V N 5.088 124.903 119.914 -0.165 0.000 2.680 418 V HA 0.802 4.924 4.120 0.003 0.000 0.309 418 V C -0.644 175.461 176.094 0.018 0.000 1.052 418 V CA -0.631 61.643 62.300 -0.044 0.000 0.908 418 V CB 1.656 33.469 31.823 -0.017 0.000 1.001 418 V HN 0.955 nan 8.190 nan 0.000 0.431 419 M N 3.814 123.459 119.600 0.074 0.000 2.446 419 M HA 0.611 5.093 4.480 0.003 0.000 0.294 419 M C -0.998 175.352 176.300 0.084 0.000 1.158 419 M CA -0.514 54.832 55.300 0.078 0.000 0.899 419 M CB 2.948 35.609 32.600 0.102 0.000 1.687 419 M HN 0.840 nan 8.290 nan 0.000 0.455 420 K N 3.335 123.785 120.400 0.083 0.000 2.507 420 K HA 0.641 4.963 4.320 0.003 0.000 0.251 420 K C -1.917 174.719 176.600 0.060 0.000 0.943 420 K CA -0.507 55.841 56.287 0.102 0.000 0.794 420 K CB 2.375 34.965 32.500 0.150 0.000 1.188 420 K HN 0.884 nan 8.250 nan 0.000 0.428 421 M N 5.397 125.024 119.600 0.044 0.000 2.227 421 M HA 0.323 4.805 4.480 0.003 0.000 0.335 421 M C -1.579 174.742 176.300 0.036 0.000 1.053 421 M CA -0.809 54.475 55.300 -0.028 0.000 0.973 421 M CB 1.503 34.049 32.600 -0.091 0.000 1.623 421 M HN 0.316 nan 8.290 nan 0.000 0.434 422 V N 5.080 124.999 119.914 0.008 0.000 2.370 422 V HA 0.415 4.537 4.120 0.003 0.000 0.283 422 V C -0.547 175.534 176.094 -0.022 0.000 1.023 422 V CA -0.579 61.740 62.300 0.030 0.000 0.857 422 V CB 0.999 32.879 31.823 0.095 0.000 0.985 422 V HN 0.966 nan 8.190 nan 0.000 0.443 423 C N 4.269 123.553 119.300 -0.026 0.000 2.456 423 C HA 0.908 5.370 4.460 0.003 0.000 0.325 423 C C 0.562 175.467 174.990 -0.141 0.000 1.217 423 C CA -0.677 58.301 59.018 -0.068 0.000 1.687 423 C CB 1.086 28.838 27.740 0.020 0.000 2.270 423 C HN 0.987 nan 8.230 nan 0.000 0.499 424 A N 3.750 126.416 122.820 -0.256 0.000 2.342 424 A HA 0.840 5.162 4.320 0.003 0.000 0.323 424 A C -0.210 177.187 177.584 -0.311 0.000 1.125 424 A CA -0.268 51.495 52.037 -0.455 0.000 0.785 424 A CB 0.322 18.641 19.000 -1.135 0.000 1.221 424 A HN 1.152 nan 8.150 nan 0.000 0.463 425 N N -0.082 118.478 118.700 -0.233 0.000 6.535 425 N HA -0.199 4.542 4.740 0.003 0.000 0.409 425 N C 0.708 176.174 175.510 -0.073 0.000 0.975 425 N CA 0.804 53.780 53.050 -0.123 0.000 1.813 425 N CB -0.196 38.222 38.487 -0.114 0.000 0.751 425 N HN 0.838 nan 8.380 nan 0.000 0.467 426 K N 1.337 121.712 120.400 -0.041 0.000 2.103 426 K HA -0.215 4.107 4.320 0.003 0.000 0.207 426 K C 1.679 178.267 176.600 -0.020 0.000 1.048 426 K CA 2.067 58.341 56.287 -0.022 0.000 0.930 426 K CB -0.109 32.384 32.500 -0.012 0.000 0.716 426 K HN 0.594 nan 8.250 nan 0.000 0.444 427 E N 0.520 120.703 120.200 -0.027 0.000 2.478 427 E HA -0.122 4.230 4.350 0.003 0.000 0.198 427 E C -0.627 175.955 176.600 -0.030 0.000 1.046 427 E CA 0.485 56.872 56.400 -0.022 0.000 0.870 427 E CB -0.148 29.540 29.700 -0.020 0.000 0.818 427 E HN 0.224 nan 8.360 nan 0.000 0.527 428 E N 1.174 121.348 120.200 -0.044 0.000 2.252 428 E HA -0.228 4.124 4.350 0.003 0.000 0.218 428 E C -0.566 175.990 176.600 -0.073 0.000 1.253 428 E CA 0.490 56.863 56.400 -0.046 0.000 0.705 428 E CB -1.229 28.473 29.700 0.003 0.000 1.172 428 E HN 0.359 nan 8.360 nan 0.000 0.369 429 K N 0.931 121.275 120.400 -0.093 0.000 2.484 429 K HA 0.080 4.402 4.320 0.003 0.000 0.280 429 K C -0.046 176.489 176.600 -0.107 0.000 1.013 429 K CA -0.052 56.184 56.287 -0.085 0.000 1.029 429 K CB 0.661 33.107 32.500 -0.091 0.000 0.902 429 K HN 0.003 nan 8.250 nan 0.000 0.481 430 V N 7.057 126.914 119.914 -0.095 0.000 2.370 430 V HA -0.018 4.103 4.120 0.003 0.000 0.257 430 V C 1.029 177.089 176.094 -0.057 0.000 1.064 430 V CA -0.082 62.136 62.300 -0.137 0.000 0.975 430 V CB 0.614 32.275 31.823 -0.270 0.000 1.067 430 V HN 0.776 nan 8.190 nan 0.000 0.485 431 V N 2.144 122.030 119.914 -0.048 0.000 3.644 431 V HA 0.641 4.763 4.120 0.003 0.000 0.267 431 V C 0.766 176.875 176.094 0.024 0.000 1.277 431 V CA 0.736 63.047 62.300 0.018 0.000 1.096 431 V CB 0.169 32.035 31.823 0.072 0.000 0.828 431 V HN 0.758 nan 8.190 nan 0.000 0.446 432 G N -0.055 108.725 108.800 -0.033 0.000 2.742 432 G HA2 0.719 4.681 3.960 0.003 0.000 0.296 432 G HA3 0.719 4.681 3.960 0.003 0.000 0.296 432 G C -1.735 172.977 174.900 -0.314 0.000 1.436 432 G CA -0.668 44.356 45.100 -0.127 0.000 0.928 432 G HN 0.157 nan 8.290 nan 0.000 0.520 433 I N 1.827 122.067 120.570 -0.551 0.000 2.533 433 I HA 0.450 4.622 4.170 0.003 0.000 0.290 433 I C -1.031 174.655 176.117 -0.718 0.000 1.056 433 I CA -0.841 60.175 61.300 -0.472 0.000 1.057 433 I CB 2.468 40.339 38.000 -0.215 0.000 1.240 433 I HN 0.420 nan 8.210 nan 0.000 0.423 434 H N 7.809 126.876 119.070 -0.005 0.000 2.759 434 H HA 0.734 5.292 4.556 0.003 0.000 0.354 434 H C -0.943 174.389 175.328 0.006 0.000 1.074 434 H CA -0.743 55.315 56.048 0.016 0.000 1.226 434 H CB 2.140 31.922 29.762 0.033 0.000 1.648 434 H HN 0.585 nan 8.280 nan 0.000 0.529 435 M N 0.977 120.637 119.600 0.101 0.000 2.603 435 M HA 0.482 4.964 4.480 0.003 0.000 0.275 435 M C -1.803 174.510 176.300 0.022 0.000 1.226 435 M CA -0.914 54.415 55.300 0.047 0.000 0.870 435 M CB 3.574 36.182 32.600 0.013 0.000 1.716 435 M HN 0.443 nan 8.290 nan 0.000 0.482 436 Q N 0.790 120.588 119.800 -0.002 0.000 2.315 436 Q HA 0.818 5.160 4.340 0.003 0.000 0.273 436 Q C -1.263 174.717 176.000 -0.033 0.000 1.053 436 Q CA -0.235 55.555 55.803 -0.021 0.000 0.817 436 Q CB 2.821 31.543 28.738 -0.027 0.000 1.326 436 Q HN 1.239 nan 8.270 nan 0.000 0.423 437 G N 1.869 110.662 108.800 -0.011 0.000 2.347 437 G HA2 0.153 4.115 3.960 0.003 0.000 0.303 437 G HA3 0.153 4.115 3.960 0.003 0.000 0.303 437 G C -1.560 173.370 174.900 0.049 0.000 1.481 437 G CA -1.106 43.990 45.100 -0.006 0.000 0.914 437 G HN 0.627 nan 8.290 nan 0.000 0.638 438 L N 1.171 122.437 121.223 0.072 0.000 2.578 438 L HA 0.300 4.642 4.340 0.003 0.000 0.279 438 L C 1.825 178.752 176.870 0.096 0.000 1.227 438 L CA 1.879 56.770 54.840 0.086 0.000 0.900 438 L CB 0.443 42.535 42.059 0.054 0.000 1.144 438 L HN 2.021 nan 8.230 nan 0.000 0.496 439 G N 1.579 110.446 108.800 0.111 0.000 2.225 439 G HA2 -0.302 3.660 3.960 0.003 0.000 0.254 439 G HA3 -0.302 3.660 3.960 0.003 0.000 0.254 439 G C 0.885 175.843 174.900 0.097 0.000 0.988 439 G CA 0.232 45.399 45.100 0.112 0.000 0.625 439 G HN 0.719 nan 8.290 nan 0.000 0.527 440 C N 2.054 121.396 119.300 0.069 0.000 2.432 440 C HA 0.035 4.497 4.460 0.003 0.000 0.282 440 C C 2.743 177.727 174.990 -0.011 0.000 1.388 440 C CA 1.357 60.397 59.018 0.035 0.000 1.777 440 C CB -0.795 26.948 27.740 0.006 0.000 1.882 440 C HN 0.782 nan 8.230 nan 0.000 0.520 441 D N 1.115 121.489 120.400 -0.043 0.000 2.123 441 D HA -0.175 4.467 4.640 0.003 0.000 0.196 441 D C 1.552 177.848 176.300 -0.007 0.000 0.992 441 D CA 1.437 55.365 54.000 -0.119 0.000 0.833 441 D CB -0.566 40.170 40.800 -0.107 0.000 0.954 441 D HN 0.435 nan 8.370 nan 0.000 0.455 442 E N -0.449 119.786 120.200 0.059 0.000 2.447 442 E HA 0.081 4.433 4.350 0.003 0.000 0.195 442 E C 1.991 178.635 176.600 0.072 0.000 1.028 442 E CA -0.126 56.316 56.400 0.070 0.000 0.876 442 E CB 0.086 29.837 29.700 0.086 0.000 0.885 442 E HN 0.407 nan 8.360 nan 0.000 0.500 443 M N 0.343 120.001 119.600 0.098 0.000 2.349 443 M HA -0.055 4.427 4.480 0.003 0.000 0.266 443 M C 1.946 178.383 176.300 0.228 0.000 1.076 443 M CA 0.624 56.025 55.300 0.167 0.000 1.126 443 M CB 0.176 32.893 32.600 0.196 0.000 1.392 443 M HN 0.096 nan 8.290 nan 0.000 0.440 444 L N 0.673 121.986 121.223 0.150 0.000 2.109 444 L HA -0.154 4.188 4.340 0.003 0.000 0.207 444 L C 2.274 179.226 176.870 0.137 0.000 1.086 444 L CA 1.833 56.773 54.840 0.167 0.000 0.760 444 L CB -0.780 41.313 42.059 0.055 0.000 0.910 444 L HN 0.336 nan 8.230 nan 0.000 0.437 445 Q N -0.210 119.624 119.800 0.058 0.000 2.077 445 Q HA -0.162 4.180 4.340 0.003 0.000 0.206 445 Q C 2.105 178.096 176.000 -0.015 0.000 0.989 445 Q CA 2.329 58.141 55.803 0.016 0.000 0.853 445 Q CB -0.939 27.799 28.738 -0.001 0.000 0.907 445 Q HN 0.538 nan 8.270 nan 0.000 0.418 446 G N -1.267 107.487 108.800 -0.078 0.000 2.408 446 G HA2 -0.219 3.743 3.960 0.003 0.000 0.217 446 G HA3 -0.219 3.743 3.960 0.003 0.000 0.217 446 G C 1.090 175.844 174.900 -0.244 0.000 1.150 446 G CA 0.672 45.649 45.100 -0.204 0.000 0.776 446 G HN 0.417 nan 8.290 nan 0.000 0.542 447 F N 1.629 121.543 119.950 -0.060 0.000 2.216 447 F HA 0.045 4.574 4.527 0.003 0.000 0.300 447 F C 3.023 178.826 175.800 0.006 0.000 1.085 447 F CA 0.759 58.733 58.000 -0.043 0.000 1.326 447 F CB -0.031 38.985 39.000 0.027 0.000 1.027 447 F HN 0.232 nan 8.300 nan 0.000 0.497 448 A N -0.099 122.809 122.820 0.146 0.000 1.933 448 A HA -0.120 4.201 4.320 0.003 0.000 0.218 448 A C 2.311 179.919 177.584 0.041 0.000 1.175 448 A CA 1.733 53.818 52.037 0.079 0.000 0.628 448 A CB -1.145 17.878 19.000 0.039 0.000 0.814 448 A HN 0.175 nan 8.150 nan 0.000 0.444 449 V N -0.112 119.803 119.914 0.001 0.000 2.295 449 V HA -0.264 3.858 4.120 0.003 0.000 0.246 449 V C 3.064 179.154 176.094 -0.006 0.000 1.049 449 V CA 1.983 64.270 62.300 -0.021 0.000 1.024 449 V CB -1.291 30.497 31.823 -0.058 0.000 0.648 449 V HN 0.614 nan 8.190 nan 0.000 0.447 450 A N -0.239 122.575 122.820 -0.010 0.000 1.902 450 A HA -0.166 4.156 4.320 0.003 0.000 0.217 450 A C 2.398 180.053 177.584 0.119 0.000 1.181 450 A CA 2.134 54.186 52.037 0.025 0.000 0.623 450 A CB -0.718 18.257 19.000 -0.042 0.000 0.818 450 A HN 0.337 nan 8.150 nan 0.000 0.443 451 V N 0.141 120.149 119.914 0.158 0.000 2.295 451 V HA -0.258 3.863 4.120 0.003 0.000 0.246 451 V C 2.549 178.689 176.094 0.076 0.000 1.049 451 V CA 2.454 64.837 62.300 0.138 0.000 1.024 451 V CB -0.648 31.249 31.823 0.122 0.000 0.648 451 V HN 0.671 nan 8.190 nan 0.000 0.447 452 K N -0.018 120.412 120.400 0.049 0.000 2.152 452 K HA -0.111 4.211 4.320 0.003 0.000 0.206 452 K C 1.923 178.538 176.600 0.025 0.000 1.048 452 K CA 1.641 57.944 56.287 0.027 0.000 0.933 452 K CB -0.279 32.225 32.500 0.007 0.000 0.721 452 K HN 0.408 nan 8.250 nan 0.000 0.447 453 M N -0.878 118.739 119.600 0.028 0.000 2.619 453 M HA 0.091 4.573 4.480 0.003 0.000 0.251 453 M C 0.730 177.052 176.300 0.036 0.000 1.106 453 M CA 0.941 56.255 55.300 0.024 0.000 1.086 453 M CB 0.359 32.969 32.600 0.016 0.000 1.465 453 M HN 0.440 nan 8.290 nan 0.000 0.506 454 G N 1.024 109.855 108.800 0.052 0.000 2.142 454 G HA2 -0.161 3.801 3.960 0.003 0.000 0.225 454 G HA3 -0.161 3.801 3.960 0.003 0.000 0.225 454 G C 0.119 175.059 174.900 0.067 0.000 1.015 454 G CA -0.077 45.054 45.100 0.052 0.000 0.716 454 G HN 0.716 nan 8.290 nan 0.000 0.508 455 A N 0.215 123.102 122.820 0.112 0.000 2.561 455 A HA 0.605 4.927 4.320 0.003 0.000 0.234 455 A C 1.151 178.809 177.584 0.123 0.000 1.055 455 A CA 1.487 53.625 52.037 0.169 0.000 0.756 455 A CB 0.165 19.375 19.000 0.349 0.000 0.986 455 A HN 1.971 nan 8.150 nan 0.000 0.505 456 T N -0.552 114.064 114.554 0.104 0.000 2.936 456 T HA 0.461 4.813 4.350 0.003 0.000 0.282 456 T C 0.947 175.656 174.700 0.015 0.000 1.003 456 T CA -0.215 61.901 62.100 0.027 0.000 1.005 456 T CB 1.260 70.137 68.868 0.015 0.000 1.097 456 T HN 0.604 nan 8.240 nan 0.000 0.532 457 K N 1.024 121.366 120.400 -0.097 0.000 2.103 457 K HA -0.017 4.305 4.320 0.003 0.000 0.207 457 K C 2.293 178.880 176.600 -0.021 0.000 1.048 457 K CA 1.951 58.141 56.287 -0.162 0.000 0.930 457 K CB -1.154 31.209 32.500 -0.228 0.000 0.716 457 K HN 0.731 nan 8.250 nan 0.000 0.444 458 A N 1.077 123.897 122.820 0.001 0.000 1.940 458 A HA -0.201 4.121 4.320 0.003 0.000 0.219 458 A C 1.783 179.413 177.584 0.076 0.000 1.176 458 A CA 2.046 54.098 52.037 0.025 0.000 0.631 458 A CB -0.740 18.269 19.000 0.015 0.000 0.814 458 A HN 0.485 nan 8.150 nan 0.000 0.446 459 D N -0.914 119.560 120.400 0.122 0.000 2.144 459 D HA -0.129 4.513 4.640 0.003 0.000 0.199 459 D C 1.592 178.007 176.300 0.191 0.000 0.984 459 D CA 1.131 55.216 54.000 0.142 0.000 0.834 459 D CB -0.357 40.538 40.800 0.160 0.000 0.955 459 D HN 0.451 nan 8.370 nan 0.000 0.465 460 F N 1.627 121.581 119.950 0.007 0.000 2.113 460 F HA -0.100 4.428 4.527 0.003 0.000 0.297 460 F C 2.148 177.951 175.800 0.005 0.000 1.103 460 F CA 0.881 58.900 58.000 0.033 0.000 1.248 460 F CB -0.475 38.544 39.000 0.032 0.000 0.999 460 F HN -0.135 nan 8.300 nan 0.000 0.475 461 D N -0.477 120.026 120.400 0.171 0.000 2.310 461 D HA -0.102 4.540 4.640 0.003 0.000 0.212 461 D C 1.433 177.758 176.300 0.041 0.000 0.965 461 D CA 0.664 54.705 54.000 0.067 0.000 0.879 461 D CB -0.451 40.353 40.800 0.006 0.000 0.921 461 D HN 0.235 nan 8.370 nan 0.000 0.510 462 N N -0.150 118.575 118.700 0.042 0.000 2.461 462 N HA -0.021 4.721 4.740 0.003 0.000 0.188 462 N C -0.146 175.367 175.510 0.004 0.000 1.134 462 N CA 0.355 53.416 53.050 0.018 0.000 0.878 462 N CB 0.318 38.815 38.487 0.015 0.000 0.972 462 N HN 0.008 nan 8.380 nan 0.000 0.456 463 T N 1.042 115.599 114.554 0.004 0.000 2.744 463 T HA 0.304 4.655 4.350 0.003 0.000 0.291 463 T C 0.446 175.141 174.700 -0.009 0.000 0.957 463 T CA -0.507 61.580 62.100 -0.022 0.000 1.002 463 T CB 2.020 70.850 68.868 -0.064 0.000 0.919 463 T HN -0.255 nan 8.240 nan 0.000 0.468 464 V N 3.343 123.248 119.914 -0.014 0.000 2.673 464 V HA 0.324 4.446 4.120 0.003 0.000 0.303 464 V C 1.052 177.147 176.094 0.002 0.000 1.046 464 V CA -0.548 61.748 62.300 -0.006 0.000 1.126 464 V CB 0.277 32.094 31.823 -0.009 0.000 0.934 464 V HN 1.094 nan 8.190 nan 0.000 0.487 465 A N 6.022 128.850 122.820 0.013 0.000 2.386 465 A HA 0.574 4.896 4.320 0.003 0.000 0.246 465 A C -0.219 177.391 177.584 0.044 0.000 1.089 465 A CA -0.216 51.841 52.037 0.034 0.000 0.790 465 A CB 0.035 19.054 19.000 0.031 0.000 1.042 465 A HN 0.740 nan 8.150 nan 0.000 0.497 466 I N 0.902 121.511 120.570 0.065 0.000 2.362 466 I HA 0.332 4.504 4.170 0.003 0.000 0.289 466 I C -0.293 175.902 176.117 0.129 0.000 0.994 466 I CA -0.150 61.194 61.300 0.075 0.000 1.158 466 I CB 1.374 39.402 38.000 0.047 0.000 1.315 466 I HN 0.807 nan 8.210 nan 0.000 0.451 467 H N 7.095 126.172 119.070 0.012 0.000 2.690 467 H HA 0.631 5.189 4.556 0.003 0.000 0.368 467 H C -2.554 172.785 175.328 0.019 0.000 1.150 467 H CA -1.885 54.171 56.048 0.012 0.000 1.174 467 H CB 1.820 31.585 29.762 0.004 0.000 1.684 467 H HN 0.314 nan 8.280 nan 0.000 0.538 468 P HA 0.291 nan 4.420 nan 0.000 0.293 468 P C -1.217 176.006 177.300 -0.129 0.000 1.313 468 P CA -0.556 62.208 63.100 -0.560 0.000 0.787 468 P CB 1.160 32.486 31.700 -0.623 0.000 0.910 469 T N -2.085 112.467 114.554 -0.002 0.000 2.841 469 T HA 0.353 4.704 4.350 0.003 0.000 0.296 469 T C 0.811 175.576 174.700 0.108 0.000 1.166 469 T CA -0.566 61.572 62.100 0.063 0.000 1.007 469 T CB 1.171 70.086 68.868 0.078 0.000 1.253 469 T HN -0.026 nan 8.240 nan 0.000 0.511 470 S N 0.725 116.533 115.700 0.180 0.000 2.387 470 S HA -0.075 4.397 4.470 0.003 0.000 0.226 470 S C 2.340 177.073 174.600 0.222 0.000 1.026 470 S CA 1.395 59.769 58.200 0.291 0.000 0.972 470 S CB -0.589 62.840 63.200 0.382 0.000 0.814 470 S HN 0.953 nan 8.310 nan 0.000 0.477 471 S N 2.669 118.483 115.700 0.190 0.000 2.400 471 S HA -0.220 4.252 4.470 0.003 0.000 0.232 471 S C 1.744 176.465 174.600 0.200 0.000 1.025 471 S CA 1.331 59.663 58.200 0.221 0.000 0.993 471 S CB -0.673 62.669 63.200 0.236 0.000 0.808 471 S HN 0.804 nan 8.310 nan 0.000 0.478 472 E N 1.141 121.422 120.200 0.135 0.000 2.265 472 E HA -0.178 4.174 4.350 0.003 0.000 0.196 472 E C 1.544 178.181 176.600 0.062 0.000 0.996 472 E CA 1.114 57.576 56.400 0.103 0.000 0.832 472 E CB -0.354 29.397 29.700 0.085 0.000 0.756 472 E HN 0.459 nan 8.360 nan 0.000 0.491 473 E N 0.702 120.912 120.200 0.017 0.000 2.204 473 E HA -0.132 4.220 4.350 0.003 0.000 0.195 473 E C 1.892 178.514 176.600 0.037 0.000 0.990 473 E CA 0.499 56.880 56.400 -0.033 0.000 0.821 473 E CB -0.131 29.491 29.700 -0.130 0.000 0.750 473 E HN 0.291 nan 8.360 nan 0.000 0.477 474 L N 0.530 121.789 121.223 0.059 0.000 2.395 474 L HA -0.066 4.276 4.340 0.003 0.000 0.218 474 L C 1.933 178.906 176.870 0.171 0.000 1.130 474 L CA 0.880 55.735 54.840 0.025 0.000 0.826 474 L CB 0.070 41.977 42.059 -0.253 0.000 0.941 474 L HN 0.016 nan 8.230 nan 0.000 0.451 475 V N -5.203 114.822 119.914 0.186 0.000 3.542 475 V HA 0.239 4.361 4.120 0.003 0.000 0.296 475 V C 1.140 177.286 176.094 0.086 0.000 1.364 475 V CA 0.724 63.145 62.300 0.201 0.000 1.118 475 V CB -0.401 31.529 31.823 0.178 0.000 0.972 475 V HN 0.412 nan 8.190 nan 0.000 0.430 476 T N 0.453 115.030 114.554 0.039 0.000 3.337 476 T HA 0.437 4.789 4.350 0.003 0.000 0.299 476 T C 0.161 174.847 174.700 -0.023 0.000 0.998 476 T CA -0.282 61.816 62.100 -0.003 0.000 0.948 476 T CB -0.492 68.367 68.868 -0.015 0.000 1.170 476 T HN 0.407 nan 8.240 nan 0.000 0.508 477 L N 2.231 123.429 121.223 -0.041 0.000 2.426 477 L HA 0.544 4.886 4.340 0.003 0.000 0.271 477 L C 0.830 177.644 176.870 -0.093 0.000 1.169 477 L CA -0.217 54.595 54.840 -0.046 0.000 0.836 477 L CB 0.577 42.598 42.059 -0.064 0.000 1.112 477 L HN 0.189 nan 8.230 nan 0.000 0.465 478 R N 0.000 120.515 120.500 0.025 0.000 2.786 478 R HA 0.000 4.342 4.340 0.003 0.000 0.208 478 R CA 0.000 56.144 56.100 0.073 0.000 0.921 478 R CB 0.000 30.326 30.300 0.044 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535