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 1grt_1_A DATA FIRST_RESID 17 DATA SEQUENCE AVASYDYLVI GGGSGGLESA WRAAELGARA 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 0.000 177.471 177.584 -0.189 0.000 1.274 17 A CA 0.000 51.960 52.037 -0.128 0.000 0.836 17 A CB 0.000 18.950 19.000 -0.084 0.000 0.831 18 V N -0.317 119.518 119.914 -0.132 0.000 2.434 18 V HA 0.550 4.671 4.120 0.000 0.000 0.281 18 V C 0.559 176.590 176.094 -0.105 0.000 1.005 18 V CA 0.318 62.548 62.300 -0.117 0.000 1.089 18 V CB -0.162 31.639 31.823 -0.037 0.000 0.978 18 V HN 2.132 nan 8.190 nan 0.000 0.474 19 A N 4.559 127.305 122.820 -0.124 0.000 2.309 19 A HA 0.718 5.039 4.320 0.000 0.000 0.298 19 A C 0.337 177.892 177.584 -0.049 0.000 1.165 19 A CA -0.132 51.846 52.037 -0.099 0.000 0.821 19 A CB 1.227 20.207 19.000 -0.033 0.000 1.102 19 A HN 1.277 nan 8.150 nan 0.000 0.500 20 S N 1.086 116.692 115.700 -0.155 0.000 2.565 20 S HA 0.805 5.275 4.470 0.000 0.000 0.290 20 S C -1.045 173.407 174.600 -0.246 0.000 1.150 20 S CA -0.283 57.874 58.200 -0.071 0.000 1.058 20 S CB 0.313 63.504 63.200 -0.014 0.000 1.032 20 S HN 0.516 nan 8.310 nan 0.000 0.510 21 Y N 0.657 121.028 120.300 0.118 0.000 2.705 21 Y HA 0.408 4.959 4.550 0.000 0.000 0.332 21 Y C 0.699 176.698 175.900 0.165 0.000 1.157 21 Y CA -0.885 57.289 58.100 0.123 0.000 1.091 21 Y CB 1.008 39.537 38.460 0.115 0.000 1.301 21 Y HN 0.518 nan 8.280 nan 0.000 0.488 22 D N -0.614 120.015 120.400 0.381 0.000 2.327 22 D HA 0.000 4.640 4.640 0.000 0.000 0.205 22 D C -0.949 175.693 176.300 0.570 0.000 0.989 22 D CA 1.418 55.652 54.000 0.390 0.000 0.873 22 D CB 0.488 41.453 40.800 0.274 0.000 0.955 22 D HN 0.226 nan 8.370 nan 0.000 0.515 23 Y N 0.346 120.811 120.300 0.275 0.000 2.399 23 Y HA 0.423 4.974 4.550 0.000 0.000 0.327 23 Y C -1.730 174.221 175.900 0.085 0.000 1.111 23 Y CA -1.165 57.085 58.100 0.250 0.000 1.047 23 Y CB 0.862 39.386 38.460 0.107 0.000 1.259 23 Y HN -0.283 nan 8.280 nan 0.000 0.434 24 L N 6.412 127.701 121.223 0.109 0.000 2.319 24 L HA 0.663 5.004 4.340 0.000 0.000 0.281 24 L C -1.127 175.563 176.870 -0.299 0.000 1.005 24 L CA -0.955 53.797 54.840 -0.146 0.000 0.828 24 L CB 1.532 43.577 42.059 -0.024 0.000 1.227 24 L HN 0.409 nan 8.230 nan 0.000 0.415 25 V N 5.524 125.176 119.914 -0.438 0.000 2.398 25 V HA 0.402 4.523 4.120 0.000 0.000 0.286 25 V C 0.190 176.103 176.094 -0.301 0.000 1.026 25 V CA -0.425 61.625 62.300 -0.417 0.000 0.868 25 V CB 1.814 33.333 31.823 -0.507 0.000 0.982 25 V HN 0.492 nan 8.190 nan 0.000 0.443 26 I N 4.625 125.065 120.570 -0.217 0.000 2.306 26 I HA 0.693 4.864 4.170 0.000 0.000 0.288 26 I C 0.723 176.738 176.117 -0.170 0.000 1.036 26 I CA -0.126 61.046 61.300 -0.212 0.000 1.221 26 I CB 0.956 38.834 38.000 -0.203 0.000 1.385 26 I HN 0.867 nan 8.210 nan 0.000 0.472 27 G N 3.603 112.290 108.800 -0.189 0.000 3.367 27 G HA2 -0.011 3.950 3.960 0.000 0.000 0.686 27 G HA3 -0.011 3.950 3.960 0.000 0.000 0.686 27 G C -0.039 174.757 174.900 -0.173 0.000 1.146 27 G CA -0.573 44.438 45.100 -0.147 0.000 0.913 27 G HN 0.971 nan 8.290 nan 0.000 0.554 28 G N 0.875 109.572 108.800 -0.172 0.000 3.943 28 G HA2 0.663 4.623 3.960 0.000 0.000 0.275 28 G HA3 0.663 4.623 3.960 0.000 0.000 0.275 28 G C 0.853 175.628 174.900 -0.209 0.000 1.234 28 G CA 0.900 45.872 45.100 -0.214 0.000 1.522 28 G HN 1.239 nan 8.290 nan 0.000 0.636 29 G N 0.045 108.741 108.800 -0.173 0.000 2.736 29 G HA2 0.392 4.352 3.960 0.000 0.000 0.229 29 G HA3 0.392 4.352 3.960 0.000 0.000 0.229 29 G C 1.228 176.028 174.900 -0.166 0.000 1.380 29 G CA 0.342 45.347 45.100 -0.157 0.000 1.040 29 G HN 0.194 nan 8.290 nan 0.000 0.568 30 S N -0.144 115.489 115.700 -0.111 0.000 2.359 30 S HA -0.158 4.312 4.470 0.000 0.000 0.222 30 S C 2.494 177.061 174.600 -0.055 0.000 1.038 30 S CA 1.901 60.060 58.200 -0.067 0.000 1.051 30 S CB -0.888 62.299 63.200 -0.022 0.000 0.944 30 S HN 0.798 nan 8.310 nan 0.000 0.433 31 G N 1.072 109.849 108.800 -0.039 0.000 2.421 31 G HA2 -0.020 3.940 3.960 0.000 0.000 0.216 31 G HA3 -0.020 3.940 3.960 0.000 0.000 0.216 31 G C 1.461 176.319 174.900 -0.069 0.000 1.171 31 G CA 1.002 46.088 45.100 -0.022 0.000 0.775 31 G HN 0.577 nan 8.290 nan 0.000 0.543 32 G N 1.202 109.932 108.800 -0.117 0.000 2.545 32 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 32 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 32 G C 1.812 176.538 174.900 -0.289 0.000 1.218 32 G CA 1.017 46.003 45.100 -0.191 0.000 0.787 32 G HN 0.403 nan 8.290 nan 0.000 0.571 33 L N 0.190 121.183 121.223 -0.383 0.000 2.042 33 L HA -0.086 4.254 4.340 0.000 0.000 0.210 33 L C 2.781 179.267 176.870 -0.639 0.000 1.076 33 L CA 1.738 56.148 54.840 -0.715 0.000 0.749 33 L CB -0.597 40.912 42.059 -0.917 0.000 0.893 33 L HN 0.294 nan 8.230 nan 0.000 0.432 34 E N 0.187 120.258 120.200 -0.216 0.000 2.110 34 E HA -0.209 4.141 4.350 0.000 0.000 0.193 34 E C 2.331 178.963 176.600 0.053 0.000 0.988 34 E CA 1.621 58.072 56.400 0.085 0.000 0.804 34 E CB -0.105 29.674 29.700 0.131 0.000 0.745 34 E HN 0.212 nan 8.360 nan 0.000 0.458 35 S N -1.027 114.667 115.700 -0.010 0.000 2.368 35 S HA -0.095 4.376 4.470 0.000 0.000 0.224 35 S C 1.943 176.613 174.600 0.117 0.000 1.029 35 S CA 1.175 59.427 58.200 0.086 0.000 0.988 35 S CB -0.473 62.795 63.200 0.113 0.000 0.838 35 S HN 0.482 nan 8.310 nan 0.000 0.462 36 A N 0.749 123.513 122.820 -0.093 0.000 1.930 36 A HA -0.071 4.249 4.320 0.000 0.000 0.217 36 A C 1.940 179.500 177.584 -0.039 0.000 1.175 36 A CA 1.189 53.149 52.037 -0.128 0.000 0.627 36 A CB -0.798 18.001 19.000 -0.335 0.000 0.815 36 A HN 0.711 nan 8.150 nan 0.000 0.443 37 W N 0.173 121.465 121.300 -0.013 0.000 2.352 37 W HA -0.065 4.595 4.660 0.000 0.000 0.322 37 W C 2.538 179.032 176.519 -0.042 0.000 1.208 37 W CA 1.196 58.528 57.345 -0.022 0.000 1.286 37 W CB -0.906 28.549 29.460 -0.009 0.000 1.167 37 W HN 0.261 nan 8.180 nan 0.000 0.469 38 R N 0.276 120.891 120.500 0.192 0.000 2.096 38 R HA -0.161 4.179 4.340 0.000 0.000 0.240 38 R C 2.179 178.438 176.300 -0.068 0.000 1.139 38 R CA 1.780 57.885 56.100 0.009 0.000 0.952 38 R CB -1.498 28.740 30.300 -0.104 0.000 0.854 38 R HN 0.162 nan 8.270 nan 0.000 0.436 39 A N 1.107 123.896 122.820 -0.051 0.000 1.849 39 A HA -0.191 4.129 4.320 0.000 0.000 0.217 39 A C 2.423 179.828 177.584 -0.299 0.000 1.202 39 A CA 2.489 54.380 52.037 -0.243 0.000 0.629 39 A CB -0.948 17.958 19.000 -0.156 0.000 0.834 39 A HN 0.399 nan 8.150 nan 0.000 0.447 40 A N -0.697 122.047 122.820 -0.127 0.000 1.902 40 A HA -0.209 4.112 4.320 0.000 0.000 0.217 40 A C 2.046 179.622 177.584 -0.014 0.000 1.181 40 A CA 1.866 53.866 52.037 -0.061 0.000 0.623 40 A CB -0.628 18.397 19.000 0.042 0.000 0.818 40 A HN 0.704 nan 8.150 nan 0.000 0.443 41 E N -0.221 119.992 120.200 0.021 0.000 2.267 41 E HA -0.132 4.219 4.350 0.000 0.000 0.197 41 E C 1.068 177.676 176.600 0.013 0.000 0.998 41 E CA 0.710 57.130 56.400 0.034 0.000 0.830 41 E CB -0.146 29.581 29.700 0.045 0.000 0.751 41 E HN 0.640 nan 8.360 nan 0.000 0.491 42 L N -0.341 120.865 121.223 -0.028 0.000 2.685 42 L HA 0.230 4.570 4.340 0.000 0.000 0.233 42 L C 1.134 178.003 176.870 -0.002 0.000 1.173 42 L CA 0.384 55.225 54.840 0.002 0.000 0.961 42 L CB 0.473 42.537 42.059 0.009 0.000 1.217 42 L HN 0.354 nan 8.230 nan 0.000 0.478 43 G N -0.196 108.589 108.800 -0.026 0.000 2.157 43 G HA2 -0.241 3.719 3.960 0.000 0.000 0.239 43 G HA3 -0.241 3.719 3.960 0.000 0.000 0.239 43 G C 0.363 175.232 174.900 -0.052 0.000 0.982 43 G CA 0.040 45.133 45.100 -0.012 0.000 0.650 43 G HN 0.479 nan 8.290 nan 0.000 0.527 44 A N -0.603 122.107 122.820 -0.183 0.000 2.259 44 A HA 0.852 5.172 4.320 0.000 0.000 0.278 44 A C 0.681 178.220 177.584 -0.076 0.000 1.107 44 A CA 0.064 51.958 52.037 -0.239 0.000 0.828 44 A CB 0.609 19.138 19.000 -0.785 0.000 1.111 44 A HN 0.816 nan 8.150 nan 0.000 0.498 45 R N 0.155 120.665 120.500 0.017 0.000 2.423 45 R HA 0.567 4.907 4.340 0.000 0.000 0.293 45 R C -0.321 176.096 176.300 0.196 0.000 1.196 45 R CA 0.254 56.438 56.100 0.140 0.000 1.262 45 R CB -0.488 29.927 30.300 0.193 0.000 1.116 45 R HN 0.876 nan 8.270 nan 0.000 0.566 46 A N 1.568 124.429 122.820 0.068 0.000 2.269 46 A HA 0.904 5.224 4.320 0.000 0.000 0.319 46 A C -0.772 176.670 177.584 -0.236 0.000 1.110 46 A CA -0.118 51.887 52.037 -0.053 0.000 0.847 46 A CB 1.200 20.162 19.000 -0.062 0.000 1.161 46 A HN 0.757 nan 8.150 nan 0.000 0.497 47 A N -0.353 122.195 122.820 -0.453 0.000 2.572 47 A HA 0.664 4.984 4.320 0.000 0.000 0.295 47 A C -1.514 175.795 177.584 -0.458 0.000 1.072 47 A CA -0.394 51.307 52.037 -0.559 0.000 0.691 47 A CB 1.495 19.864 19.000 -1.051 0.000 1.291 47 A HN 1.326 nan 8.150 nan 0.000 0.404 48 V N 1.958 121.640 119.914 -0.387 0.000 2.419 48 V HA 0.347 4.468 4.120 0.000 0.000 0.287 48 V C -0.377 175.522 176.094 -0.325 0.000 1.017 48 V CA -0.508 61.581 62.300 -0.351 0.000 0.844 48 V CB 1.457 33.089 31.823 -0.317 0.000 1.011 48 V HN 0.737 nan 8.190 nan 0.000 0.429 49 V N 4.117 123.828 119.914 -0.339 0.000 2.555 49 V HA 0.539 4.659 4.120 0.000 0.000 0.286 49 V C -0.003 175.940 176.094 -0.251 0.000 1.044 49 V CA -0.069 62.044 62.300 -0.313 0.000 1.026 49 V CB 1.455 33.076 31.823 -0.336 0.000 0.981 49 V HN 0.946 nan 8.190 nan 0.000 0.480 50 E N 2.748 122.817 120.200 -0.218 0.000 2.307 50 E HA 0.346 4.696 4.350 0.000 0.000 0.280 50 E C 0.237 176.716 176.600 -0.202 0.000 0.900 50 E CA -0.131 56.161 56.400 -0.180 0.000 0.790 50 E CB 1.850 31.458 29.700 -0.153 0.000 1.261 50 E HN 0.531 nan 8.360 nan 0.000 0.405 51 S N 3.548 119.090 115.700 -0.264 0.000 2.558 51 S HA 0.166 4.637 4.470 0.000 0.000 0.217 51 S C 0.750 174.845 174.600 -0.842 0.000 0.975 51 S CA 0.336 58.234 58.200 -0.504 0.000 0.912 51 S CB -0.175 62.705 63.200 -0.534 0.000 0.776 51 S HN 0.614 nan 8.310 nan 0.000 0.526 52 H N 1.190 120.244 119.070 -0.027 0.000 4.945 52 H HA 0.482 5.039 4.556 0.000 0.000 0.278 52 H C -0.658 174.650 175.328 -0.033 0.000 1.286 52 H CA -0.743 55.294 56.048 -0.019 0.000 0.407 52 H CB -0.075 29.682 29.762 -0.008 0.000 1.458 52 H HN 0.075 nan 8.280 nan 0.000 0.488 53 K N 1.663 122.139 120.400 0.126 0.000 2.185 53 K HA 0.398 4.718 4.320 0.000 0.000 0.269 53 K C -0.225 176.360 176.600 -0.025 0.000 0.987 53 K CA -0.422 55.883 56.287 0.030 0.000 0.865 53 K CB 1.803 34.318 32.500 0.025 0.000 1.090 53 K HN 0.157 nan 8.250 nan 0.000 0.450 54 L N 1.094 122.284 121.223 -0.055 0.000 2.483 54 L HA -0.001 4.339 4.340 0.000 0.000 0.275 54 L C 1.476 178.207 176.870 -0.231 0.000 1.220 54 L CA 0.991 55.757 54.840 -0.124 0.000 0.833 54 L CB 0.111 42.127 42.059 -0.073 0.000 1.102 54 L HN 1.108 nan 8.230 nan 0.000 0.490 55 G N 0.577 109.155 108.800 -0.370 0.000 2.313 55 G HA2 -0.029 3.931 3.960 0.000 0.000 0.215 55 G HA3 -0.029 3.931 3.960 0.000 0.000 0.215 55 G C 0.644 175.380 174.900 -0.273 0.000 1.023 55 G CA -0.203 44.593 45.100 -0.507 0.000 0.626 55 G HN 1.520 nan 8.290 nan 0.000 0.503 56 G N -0.939 107.756 108.800 -0.174 0.000 2.598 56 G HA2 -0.016 3.944 3.960 0.000 0.000 0.244 56 G HA3 -0.016 3.944 3.960 0.000 0.000 0.244 56 G C 0.968 175.821 174.900 -0.078 0.000 1.302 56 G CA 1.241 46.280 45.100 -0.102 0.000 0.903 56 G HN 1.362 nan 8.290 nan 0.000 0.575 57 T N -0.305 114.223 114.554 -0.043 0.000 2.580 57 T HA -0.274 4.076 4.350 0.000 0.000 0.265 57 T C 2.516 177.195 174.700 -0.035 0.000 1.063 57 T CA 3.133 65.223 62.100 -0.016 0.000 1.170 57 T CB -0.927 67.952 68.868 0.019 0.000 0.863 57 T HN 1.281 nan 8.240 nan 0.000 0.418 58 c N 1.241 119.821 118.600 -0.034 0.000 2.336 58 c HA -0.170 4.400 4.570 0.000 0.000 0.272 58 c C 2.773 176.806 174.090 -0.096 0.000 1.160 58 c CA 1.516 57.819 56.329 -0.043 0.000 1.783 58 c CB -1.299 41.188 42.510 -0.038 0.000 2.050 58 c HN 0.441 nan 8.230 nan 0.000 0.443 59 V N 1.723 121.560 119.914 -0.129 0.000 2.379 59 V HA -0.136 3.985 4.120 0.000 0.000 0.245 59 V C 2.313 178.307 176.094 -0.166 0.000 1.044 59 V CA 2.376 64.582 62.300 -0.156 0.000 1.036 59 V CB -0.717 30.983 31.823 -0.207 0.000 0.664 59 V HN 0.598 nan 8.190 nan 0.000 0.453 60 N N 0.734 119.351 118.700 -0.138 0.000 2.251 60 N HA -0.030 4.711 4.740 0.000 0.000 0.181 60 N C 1.116 176.535 175.510 -0.152 0.000 1.019 60 N CA 1.788 54.768 53.050 -0.117 0.000 0.862 60 N CB 0.491 38.939 38.487 -0.065 0.000 0.992 60 N HN 0.564 nan 8.380 nan 0.000 0.429 61 V N -3.318 116.515 119.914 -0.135 0.000 2.872 61 V HA 0.702 4.822 4.120 0.000 0.000 0.367 61 V C 0.374 176.419 176.094 -0.081 0.000 1.343 61 V CA -0.283 61.947 62.300 -0.118 0.000 1.219 61 V CB 0.552 32.475 31.823 0.166 0.000 1.308 61 V HN 0.176 nan 8.190 nan 0.000 0.610 62 G N -0.147 108.534 108.800 -0.200 0.000 3.495 62 G HA2 0.189 4.149 3.960 0.000 0.000 0.178 62 G HA3 0.189 4.149 3.960 0.000 0.000 0.178 62 G C 0.943 175.808 174.900 -0.059 0.000 1.262 62 G CA 0.706 45.787 45.100 -0.033 0.000 1.096 62 G HN 0.307 nan 8.290 nan 0.000 0.727 63 c N 0.519 119.112 118.600 -0.011 0.000 2.367 63 c HA -0.066 4.505 4.570 0.000 0.000 0.276 63 c C 2.867 176.911 174.090 -0.078 0.000 1.195 63 c CA 1.164 57.483 56.329 -0.015 0.000 1.756 63 c CB -1.553 40.960 42.510 0.005 0.000 2.046 63 c HN 0.269 nan 8.230 nan 0.000 0.453 64 V N 3.082 122.939 119.914 -0.096 0.000 2.223 64 V HA -0.147 3.973 4.120 0.000 0.000 0.244 64 V C 0.253 176.286 176.094 -0.102 0.000 1.045 64 V CA 2.689 64.939 62.300 -0.084 0.000 1.000 64 V CB -2.216 29.535 31.823 -0.119 0.000 0.635 64 V HN 0.395 nan 8.190 nan 0.000 0.445 65 P HA -0.184 nan 4.420 nan 0.000 0.222 65 P C 1.515 178.734 177.300 -0.135 0.000 1.147 65 P CA 1.421 64.339 63.100 -0.303 0.000 0.790 65 P CB -0.031 31.215 31.700 -0.756 0.000 0.780 66 K N 1.242 121.587 120.400 -0.091 0.000 2.007 66 K HA -0.145 4.175 4.320 0.000 0.000 0.206 66 K C 2.122 178.773 176.600 0.086 0.000 1.047 66 K CA 1.456 57.857 56.287 0.190 0.000 0.937 66 K CB -0.511 32.095 32.500 0.176 0.000 0.718 66 K HN -0.172 nan 8.250 nan 0.000 0.438 67 K N 0.896 121.245 120.400 -0.087 0.000 2.074 67 K HA -0.104 4.217 4.320 0.000 0.000 0.209 67 K C 2.018 178.646 176.600 0.047 0.000 1.048 67 K CA 1.550 57.731 56.287 -0.176 0.000 0.926 67 K CB -0.483 31.862 32.500 -0.258 0.000 0.713 67 K HN 0.025 nan 8.250 nan 0.000 0.444 68 V N 0.456 120.410 119.914 0.067 0.000 2.295 68 V HA -0.276 3.845 4.120 0.000 0.000 0.246 68 V C 2.320 178.465 176.094 0.085 0.000 1.049 68 V CA 1.833 64.178 62.300 0.075 0.000 1.024 68 V CB -0.481 31.385 31.823 0.072 0.000 0.648 68 V HN 0.331 nan 8.190 nan 0.000 0.447 69 M N -1.412 118.264 119.600 0.127 0.000 2.202 69 M HA -0.193 4.287 4.480 0.000 0.000 0.262 69 M C 1.866 178.257 176.300 0.152 0.000 1.063 69 M CA 1.397 56.768 55.300 0.118 0.000 1.097 69 M CB -1.392 31.378 32.600 0.282 0.000 1.382 69 M HN 0.635 nan 8.290 nan 0.000 0.413 70 W N 2.001 123.306 121.300 0.009 0.000 2.378 70 W HA -0.168 4.492 4.660 0.000 0.000 0.313 70 W C 2.062 178.581 176.519 0.000 0.000 1.197 70 W CA 1.592 58.943 57.345 0.011 0.000 1.304 70 W CB -0.501 28.915 29.460 -0.073 0.000 1.148 70 W HN 0.253 nan 8.180 nan 0.000 0.494 71 N N -0.177 118.635 118.700 0.187 0.000 2.060 71 N HA -0.207 4.533 4.740 0.000 0.000 0.195 71 N C 1.563 177.040 175.510 -0.055 0.000 1.028 71 N CA 2.690 55.757 53.050 0.029 0.000 0.861 71 N CB -1.198 37.355 38.487 0.109 0.000 1.029 71 N HN 0.187 nan 8.380 nan 0.000 0.428 72 T N 1.054 115.570 114.554 -0.064 0.000 2.720 72 T HA -0.103 4.247 4.350 0.000 0.000 0.268 72 T C 1.966 176.528 174.700 -0.230 0.000 1.037 72 T CA 1.544 63.553 62.100 -0.153 0.000 1.144 72 T CB -0.369 68.366 68.868 -0.221 0.000 0.864 72 T HN 0.400 nan 8.240 nan 0.000 0.444 73 A N 0.764 123.444 122.820 -0.234 0.000 1.930 73 A HA 0.009 4.329 4.320 0.000 0.000 0.217 73 A C 2.571 179.980 177.584 -0.292 0.000 1.175 73 A CA 1.007 52.886 52.037 -0.262 0.000 0.627 73 A CB -0.899 18.018 19.000 -0.139 0.000 0.815 73 A HN 0.354 nan 8.150 nan 0.000 0.443 74 V N -0.408 119.288 119.914 -0.364 0.000 2.490 74 V HA -0.259 3.861 4.120 0.000 0.000 0.250 74 V C 2.413 178.282 176.094 -0.374 0.000 1.061 74 V CA 2.028 64.031 62.300 -0.495 0.000 1.064 74 V CB -0.967 30.452 31.823 -0.673 0.000 0.670 74 V HN 0.654 nan 8.190 nan 0.000 0.461 75 H N -0.887 118.037 119.070 -0.245 0.000 2.357 75 H HA -0.117 4.440 4.556 0.000 0.000 0.301 75 H C 2.672 177.872 175.328 -0.214 0.000 1.082 75 H CA 1.830 57.790 56.048 -0.147 0.000 1.342 75 H CB -0.004 29.677 29.762 -0.135 0.000 1.389 75 H HN 0.402 nan 8.280 nan 0.000 0.511 76 S N 0.168 115.751 115.700 -0.194 0.000 2.359 76 S HA -0.168 4.302 4.470 0.000 0.000 0.224 76 S C 2.021 176.315 174.600 -0.511 0.000 1.035 76 S CA 1.507 59.536 58.200 -0.284 0.000 1.018 76 S CB 0.015 63.028 63.200 -0.312 0.000 0.876 76 S HN 0.337 nan 8.310 nan 0.000 0.448 77 E N 0.470 120.315 120.200 -0.591 0.000 2.049 77 E HA -0.108 4.242 4.350 0.000 0.000 0.198 77 E C 1.621 177.881 176.600 -0.567 0.000 1.007 77 E CA 1.575 57.536 56.400 -0.731 0.000 0.809 77 E CB -0.448 28.811 29.700 -0.736 0.000 0.749 77 E HN 0.573 nan 8.360 nan 0.000 0.450 78 F N -0.232 119.579 119.950 -0.231 0.000 2.451 78 F HA -0.006 4.521 4.527 0.000 0.000 0.299 78 F C 2.225 177.991 175.800 -0.057 0.000 1.101 78 F CA 0.661 58.601 58.000 -0.100 0.000 1.436 78 F CB -0.531 38.352 39.000 -0.195 0.000 1.074 78 F HN 0.098 nan 8.300 nan 0.000 0.553 79 M N -0.659 118.938 119.600 -0.005 0.000 2.267 79 M HA -0.232 4.248 4.480 0.000 0.000 0.263 79 M C 1.988 178.438 176.300 0.249 0.000 1.063 79 M CA 1.552 56.877 55.300 0.041 0.000 1.090 79 M CB -0.303 32.298 32.600 0.002 0.000 1.392 79 M HN 0.074 nan 8.290 nan 0.000 0.422 80 H N 0.014 119.168 119.070 0.140 0.000 2.491 80 H HA -0.026 4.531 4.556 0.000 0.000 0.290 80 H C 0.849 176.309 175.328 0.220 0.000 1.050 80 H CA 1.049 57.187 56.048 0.151 0.000 1.309 80 H CB -0.290 29.537 29.762 0.108 0.000 1.392 80 H HN 0.461 nan 8.280 nan 0.000 0.554 81 D N -1.090 119.572 120.400 0.436 0.000 2.402 81 D HA -0.015 4.625 4.640 0.000 0.000 0.216 81 D C 1.367 177.966 176.300 0.497 0.000 1.128 81 D CA 0.017 54.282 54.000 0.442 0.000 0.833 81 D CB 0.150 41.282 40.800 0.553 0.000 0.971 81 D HN 0.334 nan 8.370 nan 0.000 0.503 82 H N 2.039 121.289 119.070 0.301 0.000 2.293 82 H HA 0.007 4.563 4.556 0.000 0.000 0.300 82 H C 2.088 177.638 175.328 0.370 0.000 1.082 82 H CA 1.964 58.194 56.048 0.303 0.000 1.308 82 H CB 0.044 29.922 29.762 0.194 0.000 1.375 82 H HN 0.122 nan 8.280 nan 0.000 0.495 83 A N 0.298 123.281 122.820 0.271 0.000 1.933 83 A HA -0.169 4.151 4.320 0.000 0.000 0.218 83 A C 2.146 179.783 177.584 0.089 0.000 1.175 83 A CA 1.766 53.890 52.037 0.146 0.000 0.628 83 A CB -0.402 18.671 19.000 0.123 0.000 0.814 83 A HN 0.439 nan 8.150 nan 0.000 0.444 84 D N -1.255 119.210 120.400 0.108 0.000 2.123 84 D HA -0.148 4.492 4.640 0.000 0.000 0.196 84 D C 0.863 177.082 176.300 -0.135 0.000 0.992 84 D CA 1.260 55.248 54.000 -0.021 0.000 0.833 84 D CB -0.236 40.546 40.800 -0.030 0.000 0.954 84 D HN 0.612 nan 8.370 nan 0.000 0.455 85 Y N -0.311 120.040 120.300 0.084 0.000 2.465 85 Y HA 0.212 4.763 4.550 0.000 0.000 0.311 85 Y C 1.807 177.644 175.900 -0.104 0.000 1.204 85 Y CA 0.485 58.645 58.100 0.101 0.000 1.272 85 Y CB 0.348 38.992 38.460 0.308 0.000 1.083 85 Y HN 0.072 nan 8.280 nan 0.000 0.508 86 G N -1.115 107.617 108.800 -0.114 0.000 2.195 86 G HA2 -0.287 3.673 3.960 0.000 0.000 0.246 86 G HA3 -0.287 3.673 3.960 0.000 0.000 0.246 86 G C 0.058 174.676 174.900 -0.470 0.000 0.984 86 G CA -0.260 44.639 45.100 -0.335 0.000 0.633 86 G HN 0.204 nan 8.290 nan 0.000 0.525 87 F N 1.370 121.210 119.950 -0.184 0.000 2.378 87 F HA 0.636 5.164 4.527 0.000 0.000 0.325 87 F C -1.692 174.036 175.800 -0.119 0.000 1.097 87 F CA -2.516 55.331 58.000 -0.255 0.000 1.079 87 F CB 0.788 39.325 39.000 -0.773 0.000 1.240 87 F HN -0.172 nan 8.300 nan 0.000 0.519 88 P HA 0.234 nan 4.420 nan 0.000 0.276 88 P C -0.821 176.633 177.300 0.256 0.000 1.244 88 P CA -0.334 62.864 63.100 0.162 0.000 0.801 88 P CB 0.911 32.693 31.700 0.137 0.000 1.006 89 S N 0.045 115.867 115.700 0.203 0.000 2.641 89 S HA 0.307 4.777 4.470 0.000 0.000 0.261 89 S C -0.155 174.556 174.600 0.186 0.000 1.257 89 S CA -0.238 58.096 58.200 0.223 0.000 0.983 89 S CB 0.100 63.398 63.200 0.162 0.000 0.990 89 S HN 0.458 nan 8.310 nan 0.000 0.572 90 C N 1.414 120.807 119.300 0.155 0.000 2.493 90 C HA 0.443 4.903 4.460 0.000 0.000 0.326 90 C C 1.391 176.439 174.990 0.096 0.000 1.200 90 C CA -0.867 58.218 59.018 0.112 0.000 1.739 90 C CB 0.887 28.677 27.740 0.085 0.000 2.300 90 C HN 0.999 nan 8.230 nan 0.000 0.500 91 E N 1.262 121.509 120.200 0.079 0.000 2.331 91 E HA 0.287 4.637 4.350 0.000 0.000 0.199 91 E C 1.087 177.730 176.600 0.072 0.000 1.008 91 E CA 0.903 57.344 56.400 0.068 0.000 0.843 91 E CB -0.583 29.150 29.700 0.055 0.000 0.761 91 E HN 1.393 nan 8.360 nan 0.000 0.507 92 G N 0.689 109.538 108.800 0.083 0.000 2.741 92 G HA2 -0.142 3.818 3.960 0.000 0.000 0.222 92 G HA3 -0.142 3.818 3.960 0.000 0.000 0.222 92 G C -0.478 174.479 174.900 0.095 0.000 1.364 92 G CA -0.108 45.050 45.100 0.097 0.000 0.866 92 G HN 0.630 nan 8.290 nan 0.000 0.555 93 K N -2.546 117.927 120.400 0.121 0.000 3.405 93 K HA -0.018 4.302 4.320 0.000 0.000 0.873 93 K C -0.462 176.232 176.600 0.156 0.000 1.057 93 K CA 0.899 57.257 56.287 0.118 0.000 1.232 93 K CB -1.557 30.983 32.500 0.066 0.000 2.752 93 K HN 1.952 nan 8.250 nan 0.000 0.269 94 F N 3.527 123.508 119.950 0.053 0.000 2.484 94 F HA 0.493 5.020 4.527 0.000 0.000 0.360 94 F C 0.382 176.230 175.800 0.080 0.000 1.101 94 F CA -0.542 57.492 58.000 0.056 0.000 1.251 94 F CB 0.650 39.692 39.000 0.070 0.000 1.132 94 F HN 0.443 nan 8.300 nan 0.000 0.570 95 N N 7.199 125.419 118.700 -0.800 0.000 2.469 95 N HA -0.003 4.738 4.740 0.000 0.000 0.253 95 N C 0.663 175.512 175.510 -1.101 0.000 0.970 95 N CA -0.420 52.227 53.050 -0.670 0.000 0.940 95 N CB 0.279 38.580 38.487 -0.310 0.000 1.128 95 N HN 0.935 nan 8.380 nan 0.000 0.503 96 W N 5.041 125.765 121.300 -0.959 0.000 2.358 96 W HA -0.110 4.550 4.660 0.000 0.000 0.303 96 W C 1.277 177.642 176.519 -0.256 0.000 1.208 96 W CA 0.991 58.016 57.345 -0.532 0.000 1.274 96 W CB 0.187 29.558 29.460 -0.148 0.000 1.138 96 W HN 0.559 nan 8.180 nan 0.000 0.515 97 R N 0.380 120.936 120.500 0.093 0.000 2.094 97 R HA -0.197 4.143 4.340 0.000 0.000 0.239 97 R C 2.056 178.348 176.300 -0.013 0.000 1.137 97 R CA 2.032 58.174 56.100 0.070 0.000 0.943 97 R CB -1.441 28.871 30.300 0.019 0.000 0.850 97 R HN 0.189 nan 8.270 nan 0.000 0.433 98 V N 1.633 121.498 119.914 -0.082 0.000 2.231 98 V HA -0.264 3.856 4.120 0.000 0.000 0.248 98 V C 2.466 178.523 176.094 -0.062 0.000 1.054 98 V CA 1.735 63.990 62.300 -0.075 0.000 1.015 98 V CB -0.565 31.196 31.823 -0.103 0.000 0.638 98 V HN 0.236 nan 8.190 nan 0.000 0.444 99 I N -0.054 120.463 120.570 -0.088 0.000 2.614 99 I HA -0.148 4.022 4.170 0.000 0.000 0.258 99 I C 2.370 178.442 176.117 -0.075 0.000 1.189 99 I CA 1.578 62.846 61.300 -0.052 0.000 1.462 99 I CB -0.747 37.279 38.000 0.043 0.000 1.092 99 I HN 0.449 nan 8.210 nan 0.000 0.442 100 K N 0.764 121.111 120.400 -0.089 0.000 2.044 100 K HA -0.185 4.135 4.320 0.000 0.000 0.204 100 K C 1.861 178.476 176.600 0.025 0.000 1.049 100 K CA 1.175 57.443 56.287 -0.032 0.000 0.945 100 K CB 0.059 32.604 32.500 0.074 0.000 0.724 100 K HN 0.048 nan 8.250 nan 0.000 0.440 101 E N 0.834 121.049 120.200 0.025 0.000 2.097 101 E HA -0.176 4.174 4.350 0.000 0.000 0.196 101 E C 1.815 178.433 176.600 0.030 0.000 1.000 101 E CA 1.737 58.155 56.400 0.030 0.000 0.804 101 E CB 0.178 29.889 29.700 0.018 0.000 0.740 101 E HN 0.254 nan 8.360 nan 0.000 0.454 102 K N -0.168 120.242 120.400 0.017 0.000 2.025 102 K HA -0.114 4.206 4.320 0.000 0.000 0.207 102 K C 2.306 178.942 176.600 0.059 0.000 1.049 102 K CA 1.024 57.324 56.287 0.022 0.000 0.933 102 K CB -0.172 32.322 32.500 -0.009 0.000 0.714 102 K HN 0.004 nan 8.250 nan 0.000 0.438 103 R N 1.357 121.888 120.500 0.051 0.000 2.096 103 R HA -0.203 4.137 4.340 0.000 0.000 0.240 103 R C 1.527 177.891 176.300 0.107 0.000 1.139 103 R CA 2.131 58.285 56.100 0.090 0.000 0.952 103 R CB -0.141 30.189 30.300 0.050 0.000 0.854 103 R HN 0.134 nan 8.270 nan 0.000 0.436 104 D N 0.017 120.461 120.400 0.073 0.000 2.097 104 D HA -0.125 4.515 4.640 0.000 0.000 0.195 104 D C 1.772 178.112 176.300 0.066 0.000 0.989 104 D CA 1.615 55.651 54.000 0.060 0.000 0.827 104 D CB -0.376 40.458 40.800 0.057 0.000 0.966 104 D HN 0.403 nan 8.370 nan 0.000 0.456 105 A N 0.343 123.211 122.820 0.079 0.000 1.883 105 A HA -0.257 4.064 4.320 0.000 0.000 0.217 105 A C 2.212 179.876 177.584 0.134 0.000 1.186 105 A CA 1.464 53.551 52.037 0.083 0.000 0.624 105 A CB -1.165 17.878 19.000 0.070 0.000 0.822 105 A HN 0.303 nan 8.150 nan 0.000 0.444 106 Y N 1.041 121.340 120.300 -0.001 0.000 2.069 106 Y HA -0.239 4.312 4.550 0.000 0.000 0.278 106 Y C 2.439 178.345 175.900 0.010 0.000 1.175 106 Y CA 1.746 59.845 58.100 -0.001 0.000 1.134 106 Y CB -0.858 37.596 38.460 -0.010 0.000 0.965 106 Y HN 0.074 nan 8.280 nan 0.000 0.498 107 V N -0.617 119.234 119.914 -0.105 0.000 2.469 107 V HA -0.309 3.811 4.120 0.000 0.000 0.251 107 V C 2.468 178.509 176.094 -0.088 0.000 1.064 107 V CA 1.987 64.174 62.300 -0.189 0.000 1.066 107 V CB -0.971 30.785 31.823 -0.111 0.000 0.667 107 V HN 0.380 nan 8.190 nan 0.000 0.461 108 S N -0.253 115.436 115.700 -0.018 0.000 2.345 108 S HA -0.166 4.304 4.470 0.000 0.000 0.220 108 S C 2.075 176.682 174.600 0.012 0.000 1.031 108 S CA 1.353 59.559 58.200 0.009 0.000 0.996 108 S CB -0.320 62.896 63.200 0.027 0.000 0.882 108 S HN 0.553 nan 8.310 nan 0.000 0.445 109 R N 0.853 121.366 120.500 0.022 0.000 2.117 109 R HA -0.071 4.270 4.340 0.000 0.000 0.243 109 R C 2.221 178.514 176.300 -0.012 0.000 1.143 109 R CA 1.136 57.253 56.100 0.029 0.000 0.968 109 R CB -0.681 29.679 30.300 0.099 0.000 0.863 109 R HN 0.373 nan 8.270 nan 0.000 0.444 110 L N 0.523 121.707 121.223 -0.066 0.000 2.027 110 L HA -0.186 4.154 4.340 0.000 0.000 0.206 110 L C 1.847 178.818 176.870 0.169 0.000 1.074 110 L CA 1.557 56.381 54.840 -0.025 0.000 0.745 110 L CB -0.540 41.479 42.059 -0.066 0.000 0.898 110 L HN 0.294 nan 8.230 nan 0.000 0.433 111 N N -0.080 118.709 118.700 0.148 0.000 2.069 111 N HA -0.203 4.537 4.740 0.000 0.000 0.191 111 N C 1.921 177.514 175.510 0.138 0.000 1.031 111 N CA 1.239 54.397 53.050 0.180 0.000 0.852 111 N CB -0.211 38.320 38.487 0.073 0.000 1.018 111 N HN 0.325 nan 8.380 nan 0.000 0.423 112 A N 1.250 124.107 122.820 0.062 0.000 1.908 112 A HA -0.133 4.188 4.320 0.000 0.000 0.218 112 A C 2.136 179.723 177.584 0.004 0.000 1.181 112 A CA 1.120 53.175 52.037 0.031 0.000 0.627 112 A CB -0.733 18.275 19.000 0.013 0.000 0.818 112 A HN 0.221 nan 8.150 nan 0.000 0.445 113 I N -1.947 118.589 120.570 -0.057 0.000 2.208 113 I HA -0.299 3.871 4.170 0.000 0.000 0.245 113 I C 2.398 178.405 176.117 -0.183 0.000 1.097 113 I CA 1.543 62.739 61.300 -0.174 0.000 1.363 113 I CB -0.571 37.239 38.000 -0.318 0.000 1.051 113 I HN 0.380 nan 8.210 nan 0.000 0.413 114 Y N 1.136 121.474 120.300 0.062 0.000 2.181 114 Y HA -0.259 4.292 4.550 0.000 0.000 0.288 114 Y C 2.806 178.781 175.900 0.125 0.000 1.146 114 Y CA 1.411 59.593 58.100 0.137 0.000 1.164 114 Y CB -0.649 37.871 38.460 0.099 0.000 0.982 114 Y HN 0.193 nan 8.280 nan 0.000 0.515 115 Q N -0.092 119.819 119.800 0.185 0.000 2.050 115 Q HA -0.235 4.105 4.340 0.000 0.000 0.202 115 Q C 2.172 178.220 176.000 0.081 0.000 0.980 115 Q CA 1.449 57.315 55.803 0.106 0.000 0.840 115 Q CB -0.459 28.315 28.738 0.059 0.000 0.898 115 Q HN 0.622 nan 8.270 nan 0.000 0.424 116 N N 0.470 119.199 118.700 0.047 0.000 2.036 116 N HA -0.217 4.523 4.740 0.000 0.000 0.195 116 N C 1.427 176.945 175.510 0.013 0.000 1.037 116 N CA 1.425 54.479 53.050 0.007 0.000 0.855 116 N CB 0.054 38.523 38.487 -0.029 0.000 1.033 116 N HN 0.201 nan 8.380 nan 0.000 0.423 117 N N 1.139 119.864 118.700 0.042 0.000 2.120 117 N HA -0.106 4.635 4.740 0.000 0.000 0.188 117 N C 1.941 177.595 175.510 0.239 0.000 1.024 117 N CA 0.629 53.709 53.050 0.050 0.000 0.852 117 N CB -0.623 37.842 38.487 -0.037 0.000 1.003 117 N HN 0.328 nan 8.380 nan 0.000 0.424 118 L N 0.789 122.223 121.223 0.351 0.000 2.012 118 L HA -0.197 4.143 4.340 0.000 0.000 0.210 118 L C 2.505 179.430 176.870 0.091 0.000 1.073 118 L CA 1.901 56.901 54.840 0.266 0.000 0.748 118 L CB -1.095 41.024 42.059 0.100 0.000 0.891 118 L HN 0.395 nan 8.230 nan 0.000 0.431 119 T N -2.782 111.790 114.554 0.030 0.000 2.821 119 T HA -0.253 4.097 4.350 0.000 0.000 0.267 119 T C 1.822 176.421 174.700 -0.169 0.000 1.046 119 T CA 1.240 63.316 62.100 -0.040 0.000 1.139 119 T CB -0.259 68.596 68.868 -0.021 0.000 0.871 119 T HN 0.200 nan 8.240 nan 0.000 0.454 120 K N 1.152 121.464 120.400 -0.147 0.000 2.211 120 K HA -0.008 4.313 4.320 0.000 0.000 0.204 120 K C 1.670 178.015 176.600 -0.424 0.000 1.047 120 K CA 1.310 57.452 56.287 -0.242 0.000 0.935 120 K CB -0.178 32.244 32.500 -0.129 0.000 0.728 120 K HN 0.355 nan 8.250 nan 0.000 0.452 121 S N -0.152 115.398 115.700 -0.250 0.000 2.557 121 S HA 0.082 4.552 4.470 0.000 0.000 0.223 121 S C -0.832 173.745 174.600 -0.039 0.000 0.969 121 S CA -0.131 58.010 58.200 -0.100 0.000 0.927 121 S CB -0.062 63.229 63.200 0.152 0.000 0.806 121 S HN 0.517 nan 8.310 nan 0.000 0.489 122 H N 0.024 119.136 119.070 0.070 0.000 2.826 122 H HA -0.120 4.436 4.556 0.000 0.000 0.306 122 H C -0.555 174.799 175.328 0.044 0.000 1.235 122 H CA 0.471 56.550 56.048 0.052 0.000 1.150 122 H CB -2.315 27.475 29.762 0.046 0.000 1.409 122 H HN 0.393 nan 8.280 nan 0.000 0.420 123 I N 1.012 121.622 120.570 0.067 0.000 2.354 123 I HA 0.159 4.329 4.170 0.000 0.000 0.292 123 I C 0.840 176.939 176.117 -0.031 0.000 0.989 123 I CA -0.504 60.797 61.300 0.003 0.000 1.188 123 I CB 1.215 39.184 38.000 -0.052 0.000 1.342 123 I HN 0.234 nan 8.210 nan 0.000 0.457 124 E N 6.311 126.475 120.200 -0.061 0.000 2.392 124 E HA 0.381 4.732 4.350 0.000 0.000 0.259 124 E C -0.691 175.817 176.600 -0.154 0.000 1.108 124 E CA -0.203 56.153 56.400 -0.074 0.000 0.916 124 E CB 1.616 31.276 29.700 -0.066 0.000 0.989 124 E HN 0.429 nan 8.360 nan 0.000 0.432 125 I N 3.221 123.715 120.570 -0.126 0.000 2.466 125 I HA 0.178 4.348 4.170 0.000 0.000 0.279 125 I C -0.541 175.478 176.117 -0.162 0.000 1.033 125 I CA -0.754 60.451 61.300 -0.158 0.000 1.123 125 I CB 0.899 38.833 38.000 -0.110 0.000 1.237 125 I HN 0.195 nan 8.210 nan 0.000 0.460 126 I N 5.260 125.681 120.570 -0.249 0.000 2.379 126 I HA 0.233 4.403 4.170 0.000 0.000 0.290 126 I C 0.547 176.546 176.117 -0.196 0.000 1.063 126 I CA -0.303 60.841 61.300 -0.259 0.000 1.351 126 I CB -0.034 37.664 38.000 -0.505 0.000 1.410 126 I HN 0.464 nan 8.210 nan 0.000 0.505 127 R N 3.997 124.424 120.500 -0.121 0.000 2.308 127 R HA 0.730 5.070 4.340 0.000 0.000 0.305 127 R C 0.474 176.716 176.300 -0.097 0.000 1.053 127 R CA 0.028 56.063 56.100 -0.108 0.000 0.957 127 R CB 1.101 31.358 30.300 -0.072 0.000 1.022 127 R HN 0.978 nan 8.270 nan 0.000 0.461 128 G N 0.713 109.438 108.800 -0.125 0.000 2.325 128 G HA2 -0.075 3.885 3.960 0.000 0.000 0.285 128 G HA3 -0.075 3.885 3.960 0.000 0.000 0.285 128 G C -1.822 173.021 174.900 -0.095 0.000 1.303 128 G CA -0.978 44.069 45.100 -0.088 0.000 0.970 128 G HN 0.704 nan 8.290 nan 0.000 0.490 129 H N 0.338 119.340 119.070 -0.114 0.000 2.556 129 H HA 0.745 5.301 4.556 0.000 0.000 0.310 129 H C 0.502 175.784 175.328 -0.077 0.000 1.057 129 H CA 0.496 56.487 56.048 -0.095 0.000 1.264 129 H CB 0.994 30.722 29.762 -0.057 0.000 1.404 129 H HN 0.938 nan 8.280 nan 0.000 0.462 130 A N 3.892 126.410 122.820 -0.503 0.000 2.302 130 A HA 0.781 5.101 4.320 0.000 0.000 0.285 130 A C -0.671 176.712 177.584 -0.335 0.000 1.105 130 A CA 0.058 51.884 52.037 -0.351 0.000 0.816 130 A CB 0.319 19.093 19.000 -0.377 0.000 1.067 130 A HN 0.954 nan 8.150 nan 0.000 0.489 131 A N 0.900 123.611 122.820 -0.182 0.000 2.555 131 A HA 0.610 4.930 4.320 0.000 0.000 0.297 131 A C -0.832 176.696 177.584 -0.093 0.000 1.060 131 A CA -0.670 51.337 52.037 -0.050 0.000 0.710 131 A CB 0.301 19.389 19.000 0.146 0.000 1.282 131 A HN 0.665 nan 8.150 nan 0.000 0.399 132 F N 1.552 121.525 119.950 0.038 0.000 2.496 132 F HA 0.426 4.954 4.527 0.001 0.000 0.344 132 F C 1.760 177.584 175.800 0.039 0.000 1.155 132 F CA 1.234 59.255 58.000 0.035 0.000 1.302 132 F CB 0.933 39.947 39.000 0.024 0.000 1.159 132 F HN 0.694 nan 8.300 nan 0.000 0.595 133 T N -2.557 112.125 114.554 0.214 0.000 2.893 133 T HA 0.378 4.728 4.350 0.000 0.000 0.279 133 T C 0.257 175.025 174.700 0.114 0.000 0.991 133 T CA -0.672 61.505 62.100 0.130 0.000 0.950 133 T CB 1.064 69.983 68.868 0.084 0.000 1.223 133 T HN 0.438 nan 8.240 nan 0.000 0.585 134 S N 0.231 115.975 115.700 0.074 0.000 2.596 134 S HA 0.285 4.756 4.470 0.000 0.000 0.248 134 S C -0.607 174.019 174.600 0.044 0.000 1.162 134 S CA -0.782 57.450 58.200 0.053 0.000 1.185 134 S CB -0.646 62.578 63.200 0.040 0.000 0.833 134 S HN 0.596 nan 8.310 nan 0.000 0.472 135 D N 2.818 123.251 120.400 0.054 0.000 2.217 135 D HA 0.283 4.923 4.640 0.000 0.000 0.248 135 D C -1.292 175.032 176.300 0.040 0.000 1.008 135 D CA -1.795 52.231 54.000 0.044 0.000 0.914 135 D CB 1.669 42.499 40.800 0.049 0.000 1.182 135 D HN 0.046 nan 8.370 nan 0.000 0.451 136 P HA -0.147 nan 4.420 nan 0.000 0.213 136 P C 0.447 177.762 177.300 0.025 0.000 1.170 136 P CA 1.383 64.496 63.100 0.021 0.000 0.898 136 P CB 0.162 31.871 31.700 0.015 0.000 0.787 137 K N 0.742 121.161 120.400 0.032 0.000 2.174 137 K HA 0.299 4.619 4.320 0.000 0.000 0.275 137 K C -2.818 173.820 176.600 0.064 0.000 1.015 137 K CA -2.659 53.650 56.287 0.037 0.000 0.933 137 K CB -0.448 32.072 32.500 0.033 0.000 1.025 137 K HN -0.065 nan 8.250 nan 0.000 0.463 138 P HA 0.032 nan 4.420 nan 0.000 0.258 138 P C -1.067 176.328 177.300 0.158 0.000 1.172 138 P CA 0.589 63.774 63.100 0.142 0.000 0.762 138 P CB 0.367 32.147 31.700 0.132 0.000 0.764 139 T N 3.855 118.520 114.554 0.185 0.000 2.923 139 T HA 0.665 5.015 4.350 0.000 0.000 0.311 139 T C -0.184 174.574 174.700 0.097 0.000 1.183 139 T CA -0.520 61.657 62.100 0.128 0.000 1.020 139 T CB 0.862 69.785 68.868 0.092 0.000 1.165 139 T HN 0.280 nan 8.240 nan 0.000 0.482 140 I N -0.809 119.776 120.570 0.025 0.000 2.892 140 I HA 0.849 5.019 4.170 0.000 0.000 0.306 140 I C -0.796 175.350 176.117 0.049 0.000 1.078 140 I CA -0.942 60.308 61.300 -0.084 0.000 1.032 140 I CB 2.525 40.341 38.000 -0.307 0.000 1.229 140 I HN 0.568 nan 8.210 nan 0.000 0.435 141 E N 3.702 123.922 120.200 0.034 0.000 2.224 141 E HA 0.583 4.934 4.350 0.000 0.000 0.265 141 E C -1.902 174.763 176.600 0.109 0.000 0.878 141 E CA -0.772 55.685 56.400 0.095 0.000 0.759 141 E CB 2.492 32.225 29.700 0.055 0.000 1.164 141 E HN 0.622 nan 8.360 nan 0.000 0.414 142 V N 3.198 123.240 119.914 0.213 0.000 2.349 142 V HA 0.241 4.361 4.120 0.000 0.000 0.284 142 V C -0.182 176.008 176.094 0.159 0.000 1.014 142 V CA -0.797 61.597 62.300 0.157 0.000 0.826 142 V CB 0.944 32.834 31.823 0.111 0.000 1.009 142 V HN 0.866 nan 8.190 nan 0.000 0.431 143 S N 3.787 119.543 115.700 0.093 0.000 3.766 143 S HA -0.147 4.324 4.470 0.000 0.000 0.416 143 S C 1.513 176.142 174.600 0.049 0.000 0.902 143 S CA 1.104 59.343 58.200 0.064 0.000 1.283 143 S CB -1.256 61.980 63.200 0.061 0.000 0.891 143 S HN 2.289 nan 8.310 nan 0.000 0.556 144 G N 0.333 109.155 108.800 0.038 0.000 2.216 144 G HA2 -0.369 3.591 3.960 0.000 0.000 0.269 144 G HA3 -0.369 3.591 3.960 0.000 0.000 0.269 144 G C -0.014 174.877 174.900 -0.015 0.000 0.981 144 G CA 1.146 46.254 45.100 0.013 0.000 0.658 144 G HN 0.618 nan 8.290 nan 0.000 0.539 145 K N 0.653 121.047 120.400 -0.011 0.000 2.213 145 K HA 0.436 4.757 4.320 0.000 0.000 0.270 145 K C 0.200 176.664 176.600 -0.225 0.000 1.002 145 K CA -0.396 55.805 56.287 -0.144 0.000 0.868 145 K CB 1.612 34.036 32.500 -0.127 0.000 1.093 145 K HN 0.292 nan 8.250 nan 0.000 0.454 146 K N 2.482 122.683 120.400 -0.332 0.000 2.138 146 K HA 0.440 4.760 4.320 0.000 0.000 0.263 146 K C -0.908 175.437 176.600 -0.425 0.000 0.965 146 K CA -0.659 55.498 56.287 -0.217 0.000 0.868 146 K CB 1.033 33.478 32.500 -0.090 0.000 1.083 146 K HN 0.351 nan 8.250 nan 0.000 0.443 147 Y N -0.474 119.849 120.300 0.039 0.000 2.492 147 Y HA 0.430 4.980 4.550 0.000 0.000 0.346 147 Y C 0.189 176.137 175.900 0.080 0.000 0.997 147 Y CA -0.892 57.264 58.100 0.093 0.000 1.025 147 Y CB 2.560 41.099 38.460 0.132 0.000 1.263 147 Y HN 0.555 nan 8.280 nan 0.000 0.454 148 T N 0.791 115.504 114.554 0.264 0.000 2.865 148 T HA 0.949 5.299 4.350 0.000 0.000 0.294 148 T C -1.635 173.204 174.700 0.231 0.000 1.119 148 T CA -0.367 61.848 62.100 0.192 0.000 1.007 148 T CB 1.461 70.400 68.868 0.119 0.000 1.225 148 T HN 1.121 nan 8.240 nan 0.000 0.515 149 A N 2.504 125.443 122.820 0.197 0.000 2.599 149 A HA 0.729 5.049 4.320 0.000 0.000 0.294 149 A C -2.475 175.200 177.584 0.151 0.000 1.055 149 A CA -1.038 51.133 52.037 0.224 0.000 0.683 149 A CB 1.056 20.244 19.000 0.313 0.000 1.278 149 A HN 0.572 nan 8.150 nan 0.000 0.412 150 P HA -0.025 nan 4.420 nan 0.000 0.226 150 P C -0.210 176.915 177.300 -0.292 0.000 1.153 150 P CA 1.254 64.265 63.100 -0.148 0.000 0.777 150 P CB -0.025 31.526 31.700 -0.248 0.000 0.794 151 H N -0.246 119.028 119.070 0.340 0.000 2.840 151 H HA 0.445 5.001 4.556 0.000 0.000 0.340 151 H C -0.212 175.452 175.328 0.560 0.000 1.004 151 H CA -0.670 55.688 56.048 0.516 0.000 1.288 151 H CB 1.773 31.822 29.762 0.477 0.000 1.607 151 H HN -0.012 nan 8.280 nan 0.000 0.522 152 I N 4.061 124.961 120.570 0.551 0.000 2.436 152 I HA 0.196 4.366 4.170 0.000 0.000 0.289 152 I C -0.568 175.795 176.117 0.409 0.000 1.010 152 I CA -0.870 60.648 61.300 0.364 0.000 1.098 152 I CB 2.569 40.723 38.000 0.257 0.000 1.266 152 I HN 0.236 nan 8.210 nan 0.000 0.434 153 L N 7.912 129.295 121.223 0.268 0.000 2.313 153 L HA 0.609 4.949 4.340 0.000 0.000 0.283 153 L C -0.934 176.006 176.870 0.116 0.000 1.013 153 L CA -0.094 54.902 54.840 0.261 0.000 0.816 153 L CB 1.347 43.520 42.059 0.190 0.000 1.236 153 L HN 0.426 nan 8.230 nan 0.000 0.419 154 I N 5.890 126.554 120.570 0.158 0.000 2.297 154 I HA 0.487 4.657 4.170 0.000 0.000 0.291 154 I C 0.447 176.609 176.117 0.074 0.000 1.033 154 I CA -0.013 61.358 61.300 0.118 0.000 1.253 154 I CB 1.425 39.533 38.000 0.181 0.000 1.396 154 I HN 0.811 nan 8.210 nan 0.000 0.476 155 A N 3.689 126.519 122.820 0.016 0.000 2.959 155 A HA 0.247 4.567 4.320 0.000 0.000 0.280 155 A C 1.139 178.717 177.584 -0.011 0.000 0.953 155 A CA -0.316 51.723 52.037 0.004 0.000 1.047 155 A CB -0.431 18.549 19.000 -0.034 0.000 1.147 155 A HN 0.739 nan 8.150 nan 0.000 0.489 156 T N -3.036 111.526 114.554 0.013 0.000 3.085 156 T HA 0.390 4.740 4.350 0.000 0.000 0.263 156 T C 1.392 176.110 174.700 0.031 0.000 1.127 156 T CA 1.018 63.126 62.100 0.013 0.000 1.103 156 T CB -0.385 68.500 68.868 0.029 0.000 0.921 156 T HN 1.979 nan 8.240 nan 0.000 0.510 157 G N 0.372 109.197 108.800 0.042 0.000 2.601 157 G HA2 0.214 4.174 3.960 0.000 0.000 0.252 157 G HA3 0.214 4.174 3.960 0.000 0.000 0.252 157 G C 0.103 175.044 174.900 0.069 0.000 1.294 157 G CA -0.353 44.778 45.100 0.051 0.000 0.912 157 G HN 1.128 nan 8.290 nan 0.000 0.574 158 G N -1.831 107.010 108.800 0.068 0.000 3.251 158 G HA2 1.007 4.968 3.960 0.000 0.000 0.248 158 G HA3 1.007 4.968 3.960 0.000 0.000 0.248 158 G C -0.235 174.695 174.900 0.051 0.000 1.320 158 G CA 0.153 45.297 45.100 0.072 0.000 0.982 158 G HN 1.913 nan 8.290 nan 0.000 0.575 159 M N -2.269 117.357 119.600 0.044 0.000 2.773 159 M HA 0.568 5.049 4.480 0.000 0.000 0.270 159 M C -3.237 173.079 176.300 0.027 0.000 1.238 159 M CA -1.795 53.523 55.300 0.031 0.000 0.832 159 M CB 2.037 34.646 32.600 0.016 0.000 1.672 159 M HN 0.155 nan 8.290 nan 0.000 0.480 160 P HA 0.217 nan 4.420 nan 0.000 0.271 160 P C -0.944 176.352 177.300 -0.006 0.000 1.216 160 P CA -0.214 62.900 63.100 0.024 0.000 0.776 160 P CB 0.872 32.599 31.700 0.045 0.000 0.881 161 S N 1.218 116.904 115.700 -0.023 0.000 2.541 161 S HA 0.663 5.134 4.470 0.000 0.000 0.283 161 S C -0.224 174.295 174.600 -0.134 0.000 1.196 161 S CA -0.430 57.719 58.200 -0.084 0.000 1.062 161 S CB 0.584 63.730 63.200 -0.090 0.000 1.009 161 S HN 0.303 nan 8.310 nan 0.000 0.502 162 T N 3.202 117.612 114.554 -0.241 0.000 2.893 162 T HA 0.658 5.008 4.350 0.000 0.000 0.291 162 T C -2.785 171.579 174.700 -0.559 0.000 1.028 162 T CA -1.084 60.757 62.100 -0.432 0.000 0.995 162 T CB 1.635 70.324 68.868 -0.299 0.000 1.051 162 T HN 0.499 nan 8.240 nan 0.000 0.470 163 P HA 0.310 nan 4.420 nan 0.000 0.282 163 P C -0.483 176.539 177.300 -0.464 0.000 1.249 163 P CA -0.617 62.090 63.100 -0.655 0.000 0.806 163 P CB 0.372 31.639 31.700 -0.721 0.000 0.984 164 H N -0.013 118.934 119.070 -0.205 0.000 2.505 164 H HA 0.271 4.827 4.556 0.000 0.000 0.355 164 H C 0.380 175.646 175.328 -0.103 0.000 1.179 164 H CA -0.555 55.412 56.048 -0.135 0.000 1.343 164 H CB 1.032 30.739 29.762 -0.092 0.000 1.501 164 H HN 0.321 nan 8.280 nan 0.000 0.569 165 E N 1.040 121.289 120.200 0.081 0.000 2.219 165 E HA -0.157 4.193 4.350 0.000 0.000 0.198 165 E C 1.896 178.510 176.600 0.024 0.000 0.998 165 E CA 1.669 58.092 56.400 0.037 0.000 0.818 165 E CB -0.133 29.581 29.700 0.024 0.000 0.741 165 E HN 0.658 nan 8.360 nan 0.000 0.477 166 S N -0.023 115.678 115.700 0.001 0.000 2.528 166 S HA -0.216 4.255 4.470 0.000 0.000 0.244 166 S C 1.468 176.059 174.600 -0.015 0.000 0.982 166 S CA 1.305 59.465 58.200 -0.066 0.000 0.953 166 S CB -0.315 62.736 63.200 -0.248 0.000 0.754 166 S HN 0.511 nan 8.310 nan 0.000 0.529 167 Q N -0.114 119.716 119.800 0.049 0.000 2.536 167 Q HA 0.372 4.713 4.340 0.000 0.000 0.212 167 Q C 0.165 176.186 176.000 0.035 0.000 0.743 167 Q CA -0.206 55.626 55.803 0.049 0.000 0.929 167 Q CB 0.332 29.122 28.738 0.088 0.000 1.313 167 Q HN 0.447 nan 8.270 nan 0.000 0.524 168 I N 4.936 125.521 120.570 0.026 0.000 2.388 168 I HA 0.361 4.531 4.170 0.000 0.000 0.281 168 I C -2.411 173.732 176.117 0.043 0.000 1.046 168 I CA -2.486 58.834 61.300 0.034 0.000 1.187 168 I CB 1.688 39.695 38.000 0.012 0.000 1.351 168 I HN 0.041 nan 8.210 nan 0.000 0.472 169 P HA 0.103 nan 4.420 nan 0.000 0.271 169 P C 0.741 178.081 177.300 0.068 0.000 1.233 169 P CA 0.556 63.684 63.100 0.046 0.000 0.764 169 P CB 1.093 32.815 31.700 0.036 0.000 0.825 170 G N 3.236 112.078 108.800 0.069 0.000 2.159 170 G HA2 -0.265 3.695 3.960 0.000 0.000 0.227 170 G HA3 -0.265 3.695 3.960 0.000 0.000 0.227 170 G C 1.017 176.007 174.900 0.151 0.000 0.986 170 G CA 0.232 45.386 45.100 0.091 0.000 0.651 170 G HN 0.645 nan 8.290 nan 0.000 0.523 171 A N 0.754 123.656 122.820 0.136 0.000 2.019 171 A HA 0.232 4.552 4.320 0.000 0.000 0.219 171 A C 2.532 180.236 177.584 0.200 0.000 1.164 171 A CA 2.569 54.713 52.037 0.180 0.000 0.644 171 A CB -0.577 18.338 19.000 -0.142 0.000 0.805 171 A HN 1.766 nan 8.150 nan 0.000 0.449 172 S N -0.720 115.041 115.700 0.101 0.000 2.607 172 S HA 0.168 4.638 4.470 0.000 0.000 0.224 172 S C 1.374 176.054 174.600 0.134 0.000 0.969 172 S CA 0.566 58.821 58.200 0.091 0.000 0.927 172 S CB -0.463 62.762 63.200 0.042 0.000 0.772 172 S HN 0.451 nan 8.310 nan 0.000 0.533 173 L N 0.835 122.161 121.223 0.171 0.000 2.375 173 L HA 0.296 4.636 4.340 0.000 0.000 0.215 173 L C 1.708 178.658 176.870 0.133 0.000 1.108 173 L CA 0.292 55.207 54.840 0.124 0.000 0.830 173 L CB -0.580 41.536 42.059 0.096 0.000 0.959 173 L HN 0.483 nan 8.230 nan 0.000 0.457 174 G N 0.080 109.032 108.800 0.253 0.000 2.522 174 G HA2 0.557 4.517 3.960 0.000 0.000 0.304 174 G HA3 0.557 4.517 3.960 0.000 0.000 0.304 174 G C -0.315 174.718 174.900 0.221 0.000 1.210 174 G CA -0.510 44.681 45.100 0.152 0.000 0.960 174 G HN 0.105 nan 8.290 nan 0.000 0.497 175 I N -2.717 117.922 120.570 0.116 0.000 3.436 175 I HA 0.895 5.065 4.170 0.000 0.000 0.296 175 I C 0.267 176.493 176.117 0.181 0.000 1.143 175 I CA -0.974 60.412 61.300 0.142 0.000 1.009 175 I CB 2.134 40.176 38.000 0.070 0.000 1.301 175 I HN 0.639 nan 8.210 nan 0.000 0.503 176 T N -2.449 112.190 114.554 0.141 0.000 2.742 176 T HA 0.284 4.634 4.350 0.000 0.000 0.282 176 T C 0.938 175.685 174.700 0.079 0.000 1.025 176 T CA -0.014 62.160 62.100 0.123 0.000 1.020 176 T CB 1.062 70.003 68.868 0.122 0.000 1.317 176 T HN 0.829 nan 8.240 nan 0.000 0.538 177 S N 0.329 116.050 115.700 0.036 0.000 2.387 177 S HA -0.225 4.246 4.470 0.000 0.000 0.230 177 S C 1.261 175.911 174.600 0.084 0.000 1.035 177 S CA 1.942 60.128 58.200 -0.023 0.000 1.014 177 S CB -1.104 62.109 63.200 0.021 0.000 0.836 177 S HN 0.715 nan 8.310 nan 0.000 0.466 178 D N 2.178 122.677 120.400 0.165 0.000 2.097 178 D HA 0.027 4.667 4.640 0.000 0.000 0.195 178 D C 2.162 178.570 176.300 0.181 0.000 0.989 178 D CA 1.533 55.663 54.000 0.217 0.000 0.827 178 D CB -1.053 39.831 40.800 0.139 0.000 0.966 178 D HN 0.581 nan 8.370 nan 0.000 0.456 179 G N -0.807 108.068 108.800 0.124 0.000 2.650 179 G HA2 -0.178 3.782 3.960 0.000 0.000 0.214 179 G HA3 -0.178 3.782 3.960 0.000 0.000 0.214 179 G C 1.297 176.240 174.900 0.073 0.000 1.136 179 G CA -0.096 45.060 45.100 0.093 0.000 0.789 179 G HN 0.232 nan 8.290 nan 0.000 0.536 180 F N 0.811 120.690 119.950 -0.119 0.000 2.163 180 F HA 0.154 4.681 4.527 0.000 0.000 0.297 180 F C 1.764 177.466 175.800 -0.164 0.000 1.094 180 F CA 0.733 58.601 58.000 -0.219 0.000 1.290 180 F CB 0.020 38.742 39.000 -0.463 0.000 1.017 180 F HN 0.089 nan 8.300 nan 0.000 0.483 181 F N 0.326 120.437 119.950 0.268 0.000 2.802 181 F HA 0.020 4.547 4.527 0.000 0.000 0.300 181 F C 1.923 177.780 175.800 0.096 0.000 1.168 181 F CA 0.497 58.596 58.000 0.167 0.000 1.433 181 F CB -0.792 38.331 39.000 0.204 0.000 1.115 181 F HN 0.080 nan 8.300 nan 0.000 0.582 182 Q N -0.351 119.553 119.800 0.173 0.000 2.378 182 Q HA 0.233 4.573 4.340 0.000 0.000 0.216 182 Q C 0.499 176.538 176.000 0.065 0.000 0.892 182 Q CA 0.104 55.980 55.803 0.121 0.000 0.931 182 Q CB 0.239 29.032 28.738 0.092 0.000 1.086 182 Q HN 0.284 nan 8.270 nan 0.000 0.528 183 L N 1.659 122.884 121.223 0.004 0.000 2.525 183 L HA -0.046 4.294 4.340 0.000 0.000 0.278 183 L C 0.960 177.837 176.870 0.012 0.000 1.218 183 L CA 0.658 55.441 54.840 -0.095 0.000 0.878 183 L CB 0.513 42.394 42.059 -0.298 0.000 1.127 183 L HN 0.296 nan 8.230 nan 0.000 0.492 184 E N 1.640 121.771 120.200 -0.115 0.000 2.489 184 E HA 0.114 4.464 4.350 0.000 0.000 0.204 184 E C -0.290 176.195 176.600 -0.192 0.000 1.006 184 E CA 0.086 56.471 56.400 -0.025 0.000 0.936 184 E CB 1.025 30.726 29.700 0.001 0.000 1.002 184 E HN 0.561 nan 8.360 nan 0.000 0.488 185 E N 0.487 120.339 120.200 -0.580 0.000 2.393 185 E HA 0.311 4.661 4.350 0.000 0.000 0.273 185 E C -1.600 174.362 176.600 -1.063 0.000 0.918 185 E CA -0.861 55.185 56.400 -0.591 0.000 0.773 185 E CB 2.015 31.536 29.700 -0.299 0.000 1.275 185 E HN -0.100 nan 8.360 nan 0.000 0.451 186 L N 4.012 124.830 121.223 -0.675 0.000 2.385 186 L HA 0.378 4.718 4.340 0.000 0.000 0.281 186 L C -2.183 174.462 176.870 -0.375 0.000 1.106 186 L CA -1.279 53.201 54.840 -0.601 0.000 0.856 186 L CB 0.093 42.191 42.059 0.065 0.000 1.186 186 L HN 0.348 nan 8.230 nan 0.000 0.453 187 P HA 0.062 nan 4.420 nan 0.000 0.266 187 P C 0.552 177.780 177.300 -0.119 0.000 1.195 187 P CA 0.142 63.106 63.100 -0.227 0.000 0.768 187 P CB 0.805 32.383 31.700 -0.203 0.000 0.838 188 G N 2.526 111.272 108.800 -0.091 0.000 2.394 188 G HA2 -0.134 3.826 3.960 0.000 0.000 0.214 188 G HA3 -0.134 3.826 3.960 0.000 0.000 0.214 188 G C 0.640 175.518 174.900 -0.038 0.000 1.176 188 G CA 0.524 45.592 45.100 -0.052 0.000 0.786 188 G HN 0.552 nan 8.290 nan 0.000 0.533 189 R N 0.097 120.569 120.500 -0.047 0.000 2.502 189 R HA 0.566 4.906 4.340 0.000 0.000 0.300 189 R C -1.405 174.865 176.300 -0.050 0.000 0.984 189 R CA -0.268 55.808 56.100 -0.040 0.000 0.882 189 R CB 1.546 31.823 30.300 -0.038 0.000 1.180 189 R HN 0.056 nan 8.270 nan 0.000 0.444 190 S N 2.307 117.983 115.700 -0.041 0.000 2.501 190 S HA 0.626 5.096 4.470 0.000 0.000 0.301 190 S C -1.198 173.365 174.600 -0.063 0.000 1.096 190 S CA -0.741 57.430 58.200 -0.048 0.000 1.063 190 S CB 2.032 65.225 63.200 -0.011 0.000 1.042 190 S HN 0.347 nan 8.310 nan 0.000 0.494 191 V N 4.352 124.207 119.914 -0.099 0.000 2.409 191 V HA 0.395 4.515 4.120 0.000 0.000 0.290 191 V C -0.865 175.131 176.094 -0.164 0.000 1.017 191 V CA -0.677 61.549 62.300 -0.124 0.000 0.841 191 V CB 1.278 33.013 31.823 -0.146 0.000 1.003 191 V HN 0.722 nan 8.190 nan 0.000 0.426 192 I N 5.731 126.224 120.570 -0.128 0.000 2.440 192 I HA 0.486 4.656 4.170 0.000 0.000 0.294 192 I C -0.017 176.014 176.117 -0.144 0.000 0.995 192 I CA -0.683 60.534 61.300 -0.138 0.000 1.306 192 I CB 1.578 39.521 38.000 -0.095 0.000 1.407 192 I HN 0.204 nan 8.210 nan 0.000 0.501 193 V N 4.251 124.070 119.914 -0.158 0.000 2.380 193 V HA 0.896 5.016 4.120 0.000 0.000 0.286 193 V C 0.248 176.340 176.094 -0.004 0.000 1.015 193 V CA -0.386 61.858 62.300 -0.094 0.000 0.834 193 V CB 1.092 32.822 31.823 -0.155 0.000 1.009 193 V HN 1.111 nan 8.190 nan 0.000 0.428 194 G N 3.230 112.029 108.800 -0.002 0.000 2.343 194 G HA2 0.542 4.503 3.960 0.000 0.000 0.298 194 G HA3 0.542 4.503 3.960 0.000 0.000 0.298 194 G C -0.377 174.515 174.900 -0.015 0.000 1.644 194 G CA 0.059 45.166 45.100 0.011 0.000 0.958 194 G HN 1.082 nan 8.290 nan 0.000 0.702 195 A N 0.128 122.945 122.820 -0.005 0.000 2.564 195 A HA 0.775 5.095 4.320 0.000 0.000 0.279 195 A C 1.091 178.659 177.584 -0.028 0.000 1.232 195 A CA 1.053 53.076 52.037 -0.023 0.000 0.950 195 A CB -0.011 18.981 19.000 -0.014 0.000 1.138 195 A HN 1.901 nan 8.150 nan 0.000 0.526 196 G N -1.869 106.921 108.800 -0.017 0.000 2.601 196 G HA2 0.398 4.358 3.960 0.000 0.000 0.317 196 G HA3 0.398 4.358 3.960 0.000 0.000 0.317 196 G C 0.627 175.526 174.900 -0.002 0.000 1.246 196 G CA -0.059 45.052 45.100 0.019 0.000 1.012 196 G HN 0.515 nan 8.290 nan 0.000 0.494 197 Y N -0.424 119.874 120.300 -0.004 0.000 2.102 197 Y HA -0.265 4.286 4.550 0.000 0.000 0.280 197 Y C 2.271 178.178 175.900 0.012 0.000 1.178 197 Y CA 2.080 60.178 58.100 -0.004 0.000 1.146 197 Y CB -0.560 37.946 38.460 0.076 0.000 0.968 197 Y HN 0.239 nan 8.280 nan 0.000 0.504 198 I N 1.077 121.238 120.570 -0.682 0.000 2.208 198 I HA -0.312 3.858 4.170 0.000 0.000 0.245 198 I C 2.900 178.882 176.117 -0.223 0.000 1.097 198 I CA 1.281 62.295 61.300 -0.476 0.000 1.363 198 I CB -0.898 36.798 38.000 -0.505 0.000 1.051 198 I HN 0.497 nan 8.210 nan 0.000 0.413 199 A N 0.743 123.461 122.820 -0.170 0.000 1.858 199 A HA -0.164 4.156 4.320 0.000 0.000 0.216 199 A C 2.463 180.000 177.584 -0.079 0.000 1.190 199 A CA 1.940 53.910 52.037 -0.112 0.000 0.617 199 A CB -1.092 17.861 19.000 -0.078 0.000 0.827 199 A HN 0.215 nan 8.150 nan 0.000 0.443 200 V N 0.268 120.152 119.914 -0.049 0.000 2.282 200 V HA -0.324 3.797 4.120 0.000 0.000 0.249 200 V C 2.460 178.578 176.094 0.039 0.000 1.057 200 V CA 2.500 64.795 62.300 -0.009 0.000 1.032 200 V CB -0.951 30.865 31.823 -0.011 0.000 0.645 200 V HN 0.658 nan 8.190 nan 0.000 0.447 201 E N -0.661 119.572 120.200 0.056 0.000 2.077 201 E HA -0.196 4.155 4.350 0.000 0.000 0.193 201 E C 2.290 178.912 176.600 0.038 0.000 0.989 201 E CA 1.311 57.784 56.400 0.121 0.000 0.800 201 E CB -0.185 29.607 29.700 0.152 0.000 0.746 201 E HN 0.446 nan 8.360 nan 0.000 0.452 202 M N 0.311 119.841 119.600 -0.116 0.000 2.175 202 M HA -0.065 4.415 4.480 0.000 0.000 0.264 202 M C 2.489 178.745 176.300 -0.072 0.000 1.063 202 M CA 1.083 56.229 55.300 -0.256 0.000 1.119 202 M CB -0.944 31.424 32.600 -0.387 0.000 1.377 202 M HN 0.098 nan 8.290 nan 0.000 0.415 203 A N 0.771 123.569 122.820 -0.037 0.000 1.865 203 A HA -0.051 4.269 4.320 0.000 0.000 0.217 203 A C 2.463 180.065 177.584 0.030 0.000 1.191 203 A CA 2.165 54.200 52.037 -0.005 0.000 0.623 203 A CB -1.527 17.465 19.000 -0.013 0.000 0.826 203 A HN 0.511 nan 8.150 nan 0.000 0.444 204 G N -0.485 108.356 108.800 0.068 0.000 2.422 204 G HA2 -0.094 3.866 3.960 0.000 0.000 0.218 204 G HA3 -0.094 3.866 3.960 0.000 0.000 0.218 204 G C 1.506 176.438 174.900 0.052 0.000 1.140 204 G CA 1.045 46.194 45.100 0.082 0.000 0.775 204 G HN 0.484 nan 8.290 nan 0.000 0.545 205 I N 0.117 120.776 120.570 0.148 0.000 2.193 205 I HA -0.048 4.123 4.170 0.000 0.000 0.240 205 I C 2.685 178.889 176.117 0.145 0.000 1.084 205 I CA 0.513 61.910 61.300 0.163 0.000 1.365 205 I CB -0.256 37.900 38.000 0.260 0.000 1.064 205 I HN 0.085 nan 8.210 nan 0.000 0.410 206 L N -0.087 121.272 121.223 0.227 0.000 2.043 206 L HA -0.270 4.070 4.340 0.000 0.000 0.212 206 L C 2.738 179.684 176.870 0.126 0.000 1.075 206 L CA 1.515 56.511 54.840 0.260 0.000 0.752 206 L CB -0.556 41.652 42.059 0.248 0.000 0.891 206 L HN 0.256 nan 8.230 nan 0.000 0.432 207 S N -0.804 114.925 115.700 0.050 0.000 2.371 207 S HA -0.104 4.366 4.470 0.000 0.000 0.224 207 S C 2.108 176.683 174.600 -0.041 0.000 1.029 207 S CA 1.063 59.264 58.200 0.001 0.000 0.978 207 S CB -0.044 63.142 63.200 -0.023 0.000 0.833 207 S HN 0.447 nan 8.310 nan 0.000 0.466 208 A N 1.541 124.287 122.820 -0.123 0.000 1.883 208 A HA 0.014 4.334 4.320 0.000 0.000 0.217 208 A C 2.005 179.503 177.584 -0.144 0.000 1.186 208 A CA 1.389 53.297 52.037 -0.215 0.000 0.624 208 A CB -0.816 17.947 19.000 -0.394 0.000 0.822 208 A HN 0.573 nan 8.150 nan 0.000 0.444 209 L N -1.637 119.522 121.223 -0.106 0.000 2.549 209 L HA 0.097 4.437 4.340 0.000 0.000 0.229 209 L C 1.795 178.708 176.870 0.072 0.000 1.158 209 L CA 0.690 55.474 54.840 -0.094 0.000 0.842 209 L CB -0.320 41.689 42.059 -0.083 0.000 0.952 209 L HN 0.650 nan 8.230 nan 0.000 0.452 210 G N -1.347 107.495 108.800 0.070 0.000 2.336 210 G HA2 -0.226 3.734 3.960 0.000 0.000 0.194 210 G HA3 -0.226 3.734 3.960 0.000 0.000 0.194 210 G C 0.356 175.300 174.900 0.073 0.000 0.999 210 G CA 0.075 45.229 45.100 0.090 0.000 0.669 210 G HN 0.215 nan 8.290 nan 0.000 0.482 211 S N 0.890 116.637 115.700 0.078 0.000 2.565 211 S HA 0.529 5.000 4.470 0.000 0.000 0.276 211 S C 0.369 174.984 174.600 0.024 0.000 1.326 211 S CA -0.231 57.996 58.200 0.045 0.000 1.045 211 S CB 0.775 64.006 63.200 0.052 0.000 0.918 211 S HN 0.212 nan 8.310 nan 0.000 0.505 212 K N 3.432 123.836 120.400 0.007 0.000 2.349 212 K HA 0.267 4.587 4.320 0.000 0.000 0.288 212 K C -0.450 176.145 176.600 -0.008 0.000 1.058 212 K CA 0.177 56.463 56.287 -0.001 0.000 0.953 212 K CB 0.520 33.015 32.500 -0.008 0.000 0.997 212 K HN 0.686 nan 8.250 nan 0.000 0.477 213 T N 1.302 115.852 114.554 -0.008 0.000 2.863 213 T HA 0.406 4.756 4.350 0.000 0.000 0.285 213 T C -0.531 174.155 174.700 -0.023 0.000 1.009 213 T CA -0.612 61.479 62.100 -0.015 0.000 0.989 213 T CB 1.460 70.325 68.868 -0.004 0.000 1.004 213 T HN 0.276 nan 8.240 nan 0.000 0.455 214 S N 1.975 117.654 115.700 -0.035 0.000 2.561 214 S HA 0.582 5.052 4.470 0.000 0.000 0.303 214 S C -1.276 173.293 174.600 -0.050 0.000 1.110 214 S CA -0.663 57.513 58.200 -0.039 0.000 1.034 214 S CB 1.216 64.391 63.200 -0.043 0.000 1.010 214 S HN 0.556 nan 8.310 nan 0.000 0.482 215 L N 4.108 125.304 121.223 -0.045 0.000 2.287 215 L HA 0.591 4.932 4.340 0.000 0.000 0.287 215 L C -0.591 176.248 176.870 -0.050 0.000 1.022 215 L CA -0.296 54.513 54.840 -0.051 0.000 0.814 215 L CB 0.956 42.989 42.059 -0.044 0.000 1.217 215 L HN 0.779 nan 8.230 nan 0.000 0.420 216 M N 7.335 126.901 119.600 -0.056 0.000 2.069 216 M HA 0.449 4.929 4.480 0.000 0.000 0.349 216 M C -0.771 175.510 176.300 -0.032 0.000 1.194 216 M CA -0.408 54.866 55.300 -0.043 0.000 1.081 216 M CB 0.349 32.920 32.600 -0.047 0.000 1.500 216 M HN 0.657 nan 8.290 nan 0.000 0.438 217 I N 1.533 122.077 120.570 -0.044 0.000 2.441 217 I HA 0.478 4.648 4.170 0.000 0.000 0.295 217 I C 0.251 176.320 176.117 -0.080 0.000 0.994 217 I CA -0.886 60.385 61.300 -0.048 0.000 1.144 217 I CB 1.848 39.807 38.000 -0.069 0.000 1.314 217 I HN 0.689 nan 8.210 nan 0.000 0.445 218 R N 2.823 123.302 120.500 -0.034 0.000 2.316 218 R HA 0.155 4.495 4.340 0.000 0.000 0.202 218 R C 0.321 176.353 176.300 -0.447 0.000 1.029 218 R CA 0.685 56.722 56.100 -0.104 0.000 1.018 218 R CB -0.328 29.979 30.300 0.011 0.000 0.888 218 R HN 0.695 nan 8.270 nan 0.000 0.471 219 H N -0.885 117.952 119.070 -0.389 0.000 3.889 219 H HA 0.087 4.643 4.556 0.000 0.000 0.351 219 H C 0.357 175.028 175.328 -1.094 0.000 1.657 219 H CA -0.440 55.143 56.048 -0.776 0.000 1.319 219 H CB 0.819 30.378 29.762 -0.339 0.000 1.314 219 H HN 0.017 nan 8.280 nan 0.000 0.771 220 D N 0.076 120.078 120.400 -0.664 0.000 2.355 220 D HA 0.029 4.669 4.640 0.000 0.000 0.206 220 D C 0.443 176.644 176.300 -0.166 0.000 1.010 220 D CA 0.468 54.228 54.000 -0.400 0.000 0.875 220 D CB 1.070 41.807 40.800 -0.106 0.000 0.966 220 D HN 0.404 nan 8.370 nan 0.000 0.512 221 K N -0.067 120.258 120.400 -0.125 0.000 2.469 221 K HA 0.561 4.881 4.320 0.000 0.000 0.268 221 K C -0.316 176.234 176.600 -0.082 0.000 1.027 221 K CA -1.037 55.200 56.287 -0.084 0.000 0.893 221 K CB 2.357 34.821 32.500 -0.059 0.000 1.460 221 K HN -0.080 nan 8.250 nan 0.000 0.449 222 V N -2.069 117.794 119.914 -0.085 0.000 3.302 222 V HA 0.434 4.554 4.120 0.000 0.000 0.316 222 V C 0.573 176.588 176.094 -0.132 0.000 1.111 222 V CA -1.206 61.036 62.300 -0.098 0.000 1.029 222 V CB 0.380 32.141 31.823 -0.103 0.000 1.170 222 V HN 0.864 nan 8.190 nan 0.000 0.452 223 L N -0.611 120.512 121.223 -0.166 0.000 3.941 223 L HA -0.221 4.120 4.340 0.000 0.000 0.455 223 L C 1.934 178.784 176.870 -0.035 0.000 1.179 223 L CA 0.623 55.304 54.840 -0.264 0.000 0.782 223 L CB -1.340 40.206 42.059 -0.855 0.000 1.679 223 L HN 0.812 nan 8.230 nan 0.000 0.871 224 R N 0.379 120.882 120.500 0.005 0.000 2.200 224 R HA -0.146 4.195 4.340 0.000 0.000 0.234 224 R C 2.085 178.432 176.300 0.078 0.000 1.127 224 R CA 1.649 57.754 56.100 0.009 0.000 0.989 224 R CB -0.152 30.100 30.300 -0.080 0.000 0.869 224 R HN 0.780 nan 8.270 nan 0.000 0.459 225 S N -0.528 115.287 115.700 0.191 0.000 2.603 225 S HA 0.063 4.534 4.470 0.000 0.000 0.220 225 S C 0.385 175.074 174.600 0.148 0.000 0.967 225 S CA -0.084 58.201 58.200 0.142 0.000 0.920 225 S CB -0.040 63.227 63.200 0.112 0.000 0.773 225 S HN -0.038 nan 8.310 nan 0.000 0.529 226 F N 2.706 122.620 119.950 -0.060 0.000 2.380 226 F HA 0.394 4.921 4.527 0.000 0.000 0.321 226 F C 0.891 176.599 175.800 -0.152 0.000 1.103 226 F CA -2.128 55.816 58.000 -0.093 0.000 1.067 226 F CB 0.256 39.216 39.000 -0.067 0.000 1.265 226 F HN 0.022 nan 8.300 nan 0.000 0.517 227 D N 0.695 121.033 120.400 -0.103 0.000 2.506 227 D HA -0.101 4.539 4.640 0.000 0.000 0.234 227 D C 1.284 177.537 176.300 -0.079 0.000 1.143 227 D CA 0.605 54.470 54.000 -0.226 0.000 0.871 227 D CB 1.043 41.473 40.800 -0.617 0.000 1.190 227 D HN 0.674 nan 8.370 nan 0.000 0.459 228 S N 3.974 119.639 115.700 -0.059 0.000 2.392 228 S HA -0.319 4.151 4.470 0.000 0.000 0.232 228 S C 2.083 176.668 174.600 -0.024 0.000 1.041 228 S CA 1.595 59.778 58.200 -0.029 0.000 1.026 228 S CB -0.393 62.794 63.200 -0.022 0.000 0.845 228 S HN 0.751 nan 8.310 nan 0.000 0.465 229 M N 0.620 120.204 119.600 -0.026 0.000 2.159 229 M HA -0.052 4.428 4.480 0.000 0.000 0.263 229 M C 1.642 177.937 176.300 -0.008 0.000 1.063 229 M CA 1.599 56.894 55.300 -0.009 0.000 1.110 229 M CB -0.254 32.352 32.600 0.009 0.000 1.374 229 M HN 0.283 nan 8.290 nan 0.000 0.411 230 I N 0.492 121.059 120.570 -0.006 0.000 2.202 230 I HA -0.194 3.976 4.170 0.000 0.000 0.242 230 I C 2.664 178.753 176.117 -0.047 0.000 1.091 230 I CA 1.690 62.990 61.300 -0.001 0.000 1.368 230 I CB -1.845 36.194 38.000 0.064 0.000 1.058 230 I HN 0.416 nan 8.210 nan 0.000 0.410 231 S N 0.064 115.736 115.700 -0.046 0.000 2.383 231 S HA -0.137 4.334 4.470 0.000 0.000 0.227 231 S C 1.978 176.544 174.600 -0.057 0.000 1.026 231 S CA 1.650 59.804 58.200 -0.077 0.000 0.981 231 S CB -1.071 62.095 63.200 -0.056 0.000 0.818 231 S HN 0.417 nan 8.310 nan 0.000 0.472 232 T N 2.459 116.992 114.554 -0.035 0.000 2.737 232 T HA -0.021 4.329 4.350 0.000 0.000 0.265 232 T C 1.852 176.538 174.700 -0.024 0.000 1.038 232 T CA 1.535 63.621 62.100 -0.024 0.000 1.144 232 T CB -0.652 68.209 68.868 -0.013 0.000 0.866 232 T HN 0.514 nan 8.240 nan 0.000 0.434 233 N N 0.363 119.048 118.700 -0.024 0.000 2.106 233 N HA -0.090 4.651 4.740 0.000 0.000 0.188 233 N C 2.063 177.557 175.510 -0.027 0.000 1.029 233 N CA 1.076 54.113 53.050 -0.022 0.000 0.848 233 N CB -0.769 37.706 38.487 -0.020 0.000 1.007 233 N HN 0.371 nan 8.380 nan 0.000 0.423 234 C N -0.253 119.022 119.300 -0.041 0.000 2.413 234 C HA -0.067 4.393 4.460 0.000 0.000 0.277 234 C C 2.493 177.459 174.990 -0.040 0.000 1.265 234 C CA 1.617 60.606 59.018 -0.048 0.000 1.752 234 C CB -1.544 26.139 27.740 -0.095 0.000 1.998 234 C HN 0.509 nan 8.230 nan 0.000 0.489 235 T N 0.400 114.927 114.554 -0.045 0.000 2.821 235 T HA -0.132 4.218 4.350 0.000 0.000 0.267 235 T C 1.588 176.274 174.700 -0.024 0.000 1.046 235 T CA 1.707 63.784 62.100 -0.038 0.000 1.139 235 T CB -0.250 68.593 68.868 -0.040 0.000 0.871 235 T HN 0.702 nan 8.240 nan 0.000 0.454 236 E N 0.873 121.062 120.200 -0.019 0.000 2.028 236 E HA -0.092 4.259 4.350 0.000 0.000 0.190 236 E C 2.462 179.056 176.600 -0.010 0.000 0.984 236 E CA 0.730 57.122 56.400 -0.013 0.000 0.800 236 E CB -0.055 29.638 29.700 -0.012 0.000 0.758 236 E HN 0.440 nan 8.360 nan 0.000 0.448 237 E N 0.920 121.115 120.200 -0.007 0.000 2.160 237 E HA -0.191 4.159 4.350 0.000 0.000 0.195 237 E C 2.278 178.883 176.600 0.008 0.000 0.991 237 E CA 0.720 57.122 56.400 0.004 0.000 0.810 237 E CB -0.180 29.529 29.700 0.016 0.000 0.742 237 E HN 0.286 nan 8.360 nan 0.000 0.466 238 L N 0.868 122.093 121.223 0.003 0.000 2.005 238 L HA -0.195 4.145 4.340 0.000 0.000 0.207 238 L C 2.468 179.334 176.870 -0.007 0.000 1.072 238 L CA 1.353 56.194 54.840 0.001 0.000 0.744 238 L CB -0.292 41.762 42.059 -0.008 0.000 0.895 238 L HN 0.081 nan 8.230 nan 0.000 0.433 239 E N -0.109 120.085 120.200 -0.010 0.000 2.085 239 E HA -0.221 4.130 4.350 0.000 0.000 0.194 239 E C 1.742 178.337 176.600 -0.009 0.000 0.994 239 E CA 1.194 57.588 56.400 -0.010 0.000 0.801 239 E CB -0.149 29.545 29.700 -0.009 0.000 0.743 239 E HN 0.480 nan 8.360 nan 0.000 0.453 240 N N 0.290 118.986 118.700 -0.007 0.000 2.520 240 N HA -0.077 4.663 4.740 0.000 0.000 0.185 240 N C 1.183 176.689 175.510 -0.005 0.000 1.068 240 N CA 0.820 53.865 53.050 -0.007 0.000 0.911 240 N CB 0.135 38.617 38.487 -0.009 0.000 0.961 240 N HN 0.093 nan 8.380 nan 0.000 0.446 241 A N -0.305 122.510 122.820 -0.008 0.000 2.275 241 A HA 0.462 4.782 4.320 0.000 0.000 0.212 241 A C 1.460 179.034 177.584 -0.017 0.000 1.201 241 A CA 0.665 52.693 52.037 -0.015 0.000 0.843 241 A CB 0.041 19.021 19.000 -0.034 0.000 0.873 241 A HN 0.269 nan 8.150 nan 0.000 0.492 242 G N -1.679 107.114 108.800 -0.013 0.000 2.163 242 G HA2 -0.147 3.813 3.960 0.000 0.000 0.213 242 G HA3 -0.147 3.813 3.960 0.000 0.000 0.213 242 G C 0.041 174.933 174.900 -0.013 0.000 0.991 242 G CA -0.027 45.066 45.100 -0.011 0.000 0.653 242 G HN 0.714 nan 8.290 nan 0.000 0.518 243 V N 0.810 120.715 119.914 -0.015 0.000 2.567 243 V HA 0.573 4.693 4.120 0.000 0.000 0.289 243 V C 0.512 176.597 176.094 -0.015 0.000 1.049 243 V CA -0.495 61.796 62.300 -0.015 0.000 0.969 243 V CB 1.868 33.682 31.823 -0.016 0.000 0.995 243 V HN 0.387 nan 8.190 nan 0.000 0.471 244 E N 3.121 123.311 120.200 -0.017 0.000 2.134 244 E HA 0.465 4.815 4.350 0.000 0.000 0.278 244 E C -1.405 175.182 176.600 -0.021 0.000 0.959 244 E CA -0.504 55.886 56.400 -0.016 0.000 0.783 244 E CB 1.626 31.317 29.700 -0.016 0.000 1.095 244 E HN 0.510 nan 8.360 nan 0.000 0.399 245 V N 6.839 126.741 119.914 -0.020 0.000 2.333 245 V HA 0.206 4.327 4.120 0.000 0.000 0.274 245 V C 0.035 176.115 176.094 -0.023 0.000 1.028 245 V CA -0.580 61.704 62.300 -0.028 0.000 0.851 245 V CB 0.821 32.625 31.823 -0.032 0.000 1.000 245 V HN 0.657 nan 8.190 nan 0.000 0.456 246 L N 6.387 127.595 121.223 -0.026 0.000 2.302 246 L HA 0.410 4.750 4.340 0.000 0.000 0.285 246 L C 0.560 177.415 176.870 -0.024 0.000 1.090 246 L CA -0.238 54.594 54.840 -0.013 0.000 0.866 246 L CB 0.126 42.177 42.059 -0.014 0.000 1.244 246 L HN 0.568 nan 8.230 nan 0.000 0.435 247 K N 2.688 123.077 120.400 -0.018 0.000 2.168 247 K HA 0.313 4.633 4.320 0.000 0.000 0.258 247 K C -0.002 176.603 176.600 0.009 0.000 1.010 247 K CA -0.801 55.432 56.287 -0.091 0.000 0.929 247 K CB 0.471 32.920 32.500 -0.085 0.000 0.998 247 K HN 0.229 nan 8.250 nan 0.000 0.479 248 F N 0.061 119.987 119.950 -0.040 0.000 2.970 248 F HA -0.275 4.252 4.527 0.000 0.000 0.251 248 F C -0.350 175.419 175.800 -0.052 0.000 0.993 248 F CA 0.496 58.449 58.000 -0.079 0.000 0.869 248 F CB -1.935 37.022 39.000 -0.072 0.000 0.762 248 F HN 0.278 nan 8.300 nan 0.000 0.817 249 S N -0.535 115.198 115.700 0.055 0.000 2.541 249 S HA 0.793 5.263 4.470 0.000 0.000 0.280 249 S C -0.419 174.202 174.600 0.035 0.000 1.112 249 S CA -1.102 57.126 58.200 0.048 0.000 0.925 249 S CB 2.988 66.209 63.200 0.034 0.000 1.067 249 S HN 0.387 nan 8.310 nan 0.000 0.479 250 Q N -0.141 119.687 119.800 0.046 0.000 2.495 250 Q HA 0.789 5.129 4.340 0.000 0.000 0.287 250 Q C -1.566 174.477 176.000 0.071 0.000 1.078 250 Q CA -1.162 54.681 55.803 0.065 0.000 0.793 250 Q CB 1.252 30.035 28.738 0.074 0.000 1.459 250 Q HN 0.382 nan 8.270 nan 0.000 0.422 251 V N 2.099 122.081 119.914 0.113 0.000 2.465 251 V HA 0.117 4.238 4.120 0.000 0.000 0.279 251 V C 0.922 177.089 176.094 0.122 0.000 1.045 251 V CA 0.016 62.388 62.300 0.119 0.000 0.938 251 V CB 1.076 33.005 31.823 0.176 0.000 0.986 251 V HN 0.924 nan 8.190 nan 0.000 0.467 252 K N 4.134 124.586 120.400 0.086 0.000 2.168 252 K HA 0.235 4.555 4.320 0.000 0.000 0.201 252 K C 0.370 177.018 176.600 0.081 0.000 1.049 252 K CA 0.389 56.719 56.287 0.072 0.000 0.974 252 K CB 0.523 33.052 32.500 0.048 0.000 0.792 252 K HN 0.808 nan 8.250 nan 0.000 0.463 253 E N -0.194 120.056 120.200 0.084 0.000 2.416 253 E HA 0.362 4.712 4.350 0.000 0.000 0.280 253 E C -1.509 175.142 176.600 0.086 0.000 1.055 253 E CA -1.184 55.269 56.400 0.088 0.000 0.825 253 E CB 1.880 31.616 29.700 0.060 0.000 1.312 253 E HN -0.093 nan 8.360 nan 0.000 0.452 254 V N 0.909 120.879 119.914 0.094 0.000 2.638 254 V HA 0.507 4.627 4.120 0.000 0.000 0.306 254 V C -0.741 175.387 176.094 0.058 0.000 1.052 254 V CA -0.752 61.594 62.300 0.076 0.000 0.885 254 V CB 1.847 33.739 31.823 0.114 0.000 0.999 254 V HN 0.577 nan 8.190 nan 0.000 0.424 255 K N 2.266 122.687 120.400 0.035 0.000 2.371 255 K HA 0.558 4.878 4.320 0.000 0.000 0.251 255 K C -0.899 175.711 176.600 0.017 0.000 0.934 255 K CA -1.122 55.181 56.287 0.027 0.000 0.798 255 K CB 2.244 34.756 32.500 0.020 0.000 1.204 255 K HN 0.415 nan 8.250 nan 0.000 0.427 256 K N 2.722 123.132 120.400 0.016 0.000 2.183 256 K HA 0.069 4.390 4.320 0.000 0.000 0.272 256 K C -0.184 176.418 176.600 0.004 0.000 1.113 256 K CA -0.097 56.196 56.287 0.009 0.000 0.949 256 K CB -0.405 32.102 32.500 0.011 0.000 1.365 256 K HN 0.680 nan 8.250 nan 0.000 0.420 257 T N 0.449 115.002 114.554 -0.001 0.000 2.715 257 T HA 0.105 4.455 4.350 0.000 0.000 0.320 257 T C 1.240 175.937 174.700 -0.005 0.000 1.046 257 T CA -0.338 61.760 62.100 -0.003 0.000 0.983 257 T CB 0.333 69.198 68.868 -0.005 0.000 1.183 257 T HN 0.274 nan 8.240 nan 0.000 0.522 258 L N 0.559 121.778 121.223 -0.006 0.000 2.209 258 L HA 0.119 4.459 4.340 0.000 0.000 0.207 258 L C 3.062 179.925 176.870 -0.012 0.000 1.094 258 L CA 1.340 56.175 54.840 -0.008 0.000 0.790 258 L CB -1.471 40.584 42.059 -0.007 0.000 0.932 258 L HN 0.888 nan 8.230 nan 0.000 0.447 259 S N -0.670 115.022 115.700 -0.013 0.000 2.345 259 S HA 0.242 4.713 4.470 0.000 0.000 0.220 259 S C 1.287 175.875 174.600 -0.021 0.000 1.031 259 S CA 0.824 59.014 58.200 -0.017 0.000 0.996 259 S CB -0.509 62.681 63.200 -0.016 0.000 0.882 259 S HN 0.449 nan 8.310 nan 0.000 0.445 260 G N 0.675 109.463 108.800 -0.020 0.000 3.078 260 G HA2 0.479 4.439 3.960 0.000 0.000 0.131 260 G HA3 0.479 4.439 3.960 0.000 0.000 0.131 260 G C -1.361 173.527 174.900 -0.020 0.000 1.219 260 G CA -0.576 44.509 45.100 -0.025 0.000 1.319 260 G HN 0.351 nan 8.290 nan 0.000 0.653 261 L N 0.523 121.731 121.223 -0.025 0.000 2.322 261 L HA 0.711 5.051 4.340 0.000 0.000 0.269 261 L C -0.627 176.232 176.870 -0.019 0.000 1.012 261 L CA -0.671 54.157 54.840 -0.019 0.000 0.815 261 L CB 2.208 44.250 42.059 -0.029 0.000 1.295 261 L HN 0.615 nan 8.230 nan 0.000 0.438 262 E N 1.032 121.227 120.200 -0.009 0.000 2.207 262 E HA 0.328 4.678 4.350 0.000 0.000 0.250 262 E C -1.526 175.072 176.600 -0.003 0.000 0.890 262 E CA -0.487 55.909 56.400 -0.007 0.000 0.749 262 E CB 1.703 31.402 29.700 -0.001 0.000 1.193 262 E HN 0.267 nan 8.360 nan 0.000 0.423 263 V N 3.869 123.774 119.914 -0.015 0.000 2.408 263 V HA 0.174 4.295 4.120 0.000 0.000 0.267 263 V C -0.168 175.926 176.094 0.000 0.000 1.047 263 V CA -0.168 62.124 62.300 -0.012 0.000 0.937 263 V CB 1.319 33.117 31.823 -0.043 0.000 0.999 263 V HN 0.643 nan 8.190 nan 0.000 0.472 264 S N 7.795 123.505 115.700 0.016 0.000 2.422 264 S HA 0.666 5.136 4.470 0.000 0.000 0.298 264 S C -0.222 174.394 174.600 0.026 0.000 1.118 264 S CA -0.585 57.626 58.200 0.019 0.000 1.083 264 S CB 0.731 63.945 63.200 0.025 0.000 0.971 264 S HN 0.784 nan 8.310 nan 0.000 0.478 265 M N 1.693 121.304 119.600 0.019 0.000 2.465 265 M HA 0.742 5.223 4.480 0.000 0.000 0.316 265 M C -1.509 174.806 176.300 0.025 0.000 1.121 265 M CA -0.943 54.372 55.300 0.025 0.000 0.934 265 M CB 1.490 34.098 32.600 0.014 0.000 1.692 265 M HN 0.173 nan 8.290 nan 0.000 0.444 266 V N 2.309 122.242 119.914 0.032 0.000 2.383 266 V HA 0.452 4.572 4.120 0.000 0.000 0.275 266 V C -0.157 175.958 176.094 0.035 0.000 1.036 266 V CA -0.257 62.060 62.300 0.029 0.000 0.889 266 V CB 1.292 33.133 31.823 0.030 0.000 0.985 266 V HN 0.990 nan 8.190 nan 0.000 0.459 267 T N 4.525 119.099 114.554 0.033 0.000 2.786 267 T HA 0.666 5.016 4.350 0.000 0.000 0.283 267 T C 0.005 174.726 174.700 0.036 0.000 0.992 267 T CA -0.260 61.870 62.100 0.050 0.000 0.954 267 T CB 1.395 70.291 68.868 0.046 0.000 0.934 267 T HN 0.859 nan 8.240 nan 0.000 0.440 268 A N 3.669 126.515 122.820 0.044 0.000 2.763 268 A HA 0.603 4.923 4.320 0.000 0.000 0.325 268 A C -0.069 177.443 177.584 -0.120 0.000 1.209 268 A CA -0.564 51.459 52.037 -0.023 0.000 0.764 268 A CB 0.320 19.306 19.000 -0.023 0.000 1.120 268 A HN 0.673 nan 8.150 nan 0.000 0.463 269 V N 4.557 124.365 119.914 -0.175 0.000 2.521 269 V HA 0.185 4.306 4.120 0.000 0.000 0.286 269 V C -1.668 174.144 176.094 -0.470 0.000 1.034 269 V CA -0.878 61.143 62.300 -0.465 0.000 1.045 269 V CB 0.806 32.492 31.823 -0.228 0.000 0.974 269 V HN 0.765 nan 8.190 nan 0.000 0.480 270 P HA 0.208 nan 4.420 nan 0.000 0.271 270 P C 0.727 177.874 177.300 -0.256 0.000 1.226 270 P CA 0.939 63.804 63.100 -0.391 0.000 0.765 270 P CB 1.071 32.526 31.700 -0.409 0.000 0.835 271 G N 2.795 111.500 108.800 -0.159 0.000 2.201 271 G HA2 -0.148 3.812 3.960 0.000 0.000 0.212 271 G HA3 -0.148 3.812 3.960 0.000 0.000 0.212 271 G C 0.273 175.120 174.900 -0.088 0.000 0.994 271 G CA -0.444 44.592 45.100 -0.107 0.000 0.644 271 G HN 0.610 nan 8.290 nan 0.000 0.508 272 R N -0.890 119.549 120.500 -0.102 0.000 3.076 272 R HA 0.804 5.144 4.340 0.000 0.000 0.239 272 R C -0.426 175.836 176.300 -0.064 0.000 1.392 272 R CA -0.917 55.139 56.100 -0.073 0.000 1.044 272 R CB 0.611 30.867 30.300 -0.073 0.000 1.389 272 R HN 0.146 nan 8.270 nan 0.000 0.498 273 L N 1.603 122.799 121.223 -0.046 0.000 2.334 273 L HA 0.438 4.778 4.340 0.000 0.000 0.275 273 L C -2.079 174.772 176.870 -0.032 0.000 1.036 273 L CA -2.036 52.783 54.840 -0.035 0.000 0.807 273 L CB 1.035 43.079 42.059 -0.024 0.000 1.231 273 L HN 0.213 nan 8.230 nan 0.000 0.438 274 P HA 0.112 nan 4.420 nan 0.000 0.269 274 P C -1.208 176.086 177.300 -0.008 0.000 1.209 274 P CA -0.157 62.933 63.100 -0.017 0.000 0.776 274 P CB 0.997 32.691 31.700 -0.011 0.000 0.876 275 V N 4.357 124.270 119.914 -0.002 0.000 2.524 275 V HA 0.400 4.520 4.120 0.000 0.000 0.297 275 V C -0.846 175.253 176.094 0.007 0.000 1.035 275 V CA -0.687 61.614 62.300 0.002 0.000 0.867 275 V CB 1.212 33.035 31.823 0.000 0.000 1.004 275 V HN 0.389 nan 8.190 nan 0.000 0.426 276 M N 5.898 125.502 119.600 0.007 0.000 2.216 276 M HA 0.538 5.018 4.480 0.000 0.000 0.356 276 M C -0.015 176.290 176.300 0.008 0.000 1.205 276 M CA -0.019 55.287 55.300 0.010 0.000 1.122 276 M CB 1.690 34.297 32.600 0.011 0.000 1.571 276 M HN 0.846 nan 8.290 nan 0.000 0.464 277 T N 0.608 115.167 114.554 0.009 0.000 2.916 277 T HA 0.639 4.989 4.350 0.000 0.000 0.305 277 T C -0.546 174.156 174.700 0.004 0.000 1.119 277 T CA -1.181 60.922 62.100 0.005 0.000 1.008 277 T CB 1.667 70.538 68.868 0.004 0.000 1.129 277 T HN 0.450 nan 8.240 nan 0.000 0.480 278 M N 2.845 122.446 119.600 0.001 0.000 2.277 278 M HA 0.472 4.953 4.480 0.000 0.000 0.350 278 M C -0.607 175.689 176.300 -0.007 0.000 1.180 278 M CA -1.188 54.111 55.300 -0.001 0.000 1.103 278 M CB 0.932 33.531 32.600 -0.001 0.000 1.577 278 M HN 0.589 nan 8.290 nan 0.000 0.459 279 I N 5.605 126.167 120.570 -0.013 0.000 2.382 279 I HA 0.417 4.587 4.170 0.000 0.000 0.285 279 I C -2.302 173.802 176.117 -0.021 0.000 1.007 279 I CA -1.736 59.552 61.300 -0.020 0.000 1.142 279 I CB 1.509 39.490 38.000 -0.031 0.000 1.289 279 I HN 0.294 nan 8.210 nan 0.000 0.453 280 P HA 0.376 nan 4.420 nan 0.000 0.288 280 P C -0.631 176.655 177.300 -0.022 0.000 1.300 280 P CA -0.208 62.881 63.100 -0.018 0.000 0.910 280 P CB 1.815 33.507 31.700 -0.013 0.000 1.256 281 D N -2.156 118.231 120.400 -0.022 0.000 2.945 281 D HA -0.098 4.542 4.640 0.000 0.000 0.225 281 D C -0.204 176.076 176.300 -0.034 0.000 1.158 281 D CA 0.577 54.561 54.000 -0.026 0.000 0.805 281 D CB -1.829 38.958 40.800 -0.022 0.000 1.098 281 D HN 0.114 nan 8.370 nan 0.000 0.426 282 V N 0.913 120.804 119.914 -0.039 0.000 2.470 282 V HA -0.003 4.117 4.120 0.000 0.000 0.276 282 V C 1.409 177.469 176.094 -0.056 0.000 1.040 282 V CA 0.434 62.703 62.300 -0.051 0.000 1.008 282 V CB 1.328 33.113 31.823 -0.063 0.000 0.990 282 V HN -0.018 nan 8.190 nan 0.000 0.477 283 D N 1.959 122.321 120.400 -0.063 0.000 2.183 283 D HA 0.047 4.687 4.640 0.000 0.000 0.205 283 D C 0.482 176.732 176.300 -0.083 0.000 0.962 283 D CA 0.827 54.783 54.000 -0.073 0.000 0.849 283 D CB 0.255 41.004 40.800 -0.085 0.000 0.978 283 D HN 0.581 nan 8.370 nan 0.000 0.488 284 C N 0.501 119.749 119.300 -0.087 0.000 2.609 284 C HA 0.684 5.144 4.460 0.000 0.000 0.313 284 C C -1.884 173.033 174.990 -0.123 0.000 1.175 284 C CA -0.985 57.977 59.018 -0.093 0.000 1.434 284 C CB 0.524 28.215 27.740 -0.081 0.000 2.005 284 C HN 0.201 nan 8.230 nan 0.000 0.471 285 L N 6.811 127.935 121.223 -0.164 0.000 2.388 285 L HA 0.642 4.982 4.340 0.000 0.000 0.267 285 L C -1.318 175.324 176.870 -0.381 0.000 0.995 285 L CA -0.124 54.534 54.840 -0.304 0.000 0.864 285 L CB 0.965 42.813 42.059 -0.351 0.000 1.216 285 L HN 0.719 nan 8.230 nan 0.000 0.430 286 L N 4.876 125.901 121.223 -0.331 0.000 2.264 286 L HA 0.374 4.715 4.340 0.000 0.000 0.289 286 L C -0.931 175.757 176.870 -0.304 0.000 1.044 286 L CA -0.242 54.456 54.840 -0.236 0.000 0.807 286 L CB 0.877 42.868 42.059 -0.113 0.000 1.192 286 L HN 0.662 nan 8.230 nan 0.000 0.425 287 W N 4.265 125.550 121.300 -0.025 0.000 2.416 287 W HA 0.418 5.078 4.660 0.000 0.000 0.318 287 W C 0.418 176.908 176.519 -0.048 0.000 1.150 287 W CA -0.503 56.822 57.345 -0.033 0.000 1.392 287 W CB 0.892 30.334 29.460 -0.030 0.000 1.311 287 W HN 0.524 nan 8.180 nan 0.000 0.436 288 A N 5.311 128.212 122.820 0.135 0.000 2.985 288 A HA 0.236 4.557 4.320 0.000 0.000 0.303 288 A C 0.916 178.533 177.584 0.055 0.000 1.048 288 A CA -0.398 51.662 52.037 0.039 0.000 1.016 288 A CB -0.712 18.258 19.000 -0.050 0.000 1.118 288 A HN 0.776 nan 8.150 nan 0.000 0.529 289 I N -4.054 116.585 120.570 0.115 0.000 3.427 289 I HA 0.537 4.707 4.170 0.000 0.000 0.288 289 I C 0.739 176.883 176.117 0.044 0.000 1.249 289 I CA 0.480 61.834 61.300 0.090 0.000 1.421 289 I CB 0.345 38.419 38.000 0.123 0.000 1.086 289 I HN 0.324 nan 8.210 nan 0.000 0.448 290 G N 1.255 110.073 108.800 0.030 0.000 2.313 290 G HA2 0.405 4.365 3.960 0.000 0.000 0.296 290 G HA3 0.405 4.365 3.960 0.000 0.000 0.296 290 G C -1.749 173.165 174.900 0.023 0.000 1.356 290 G CA -0.963 44.152 45.100 0.025 0.000 0.833 290 G HN 0.056 nan 8.290 nan 0.000 0.552 291 R N -0.313 120.212 120.500 0.042 0.000 2.502 291 R HA 0.628 4.968 4.340 0.000 0.000 0.300 291 R C -1.079 175.256 176.300 0.058 0.000 0.984 291 R CA -0.655 55.476 56.100 0.052 0.000 0.882 291 R CB 1.566 31.915 30.300 0.082 0.000 1.180 291 R HN 0.656 nan 8.270 nan 0.000 0.444 292 V N 4.838 124.763 119.914 0.019 0.000 2.532 292 V HA 0.512 4.632 4.120 0.000 0.000 0.295 292 V C -1.941 174.158 176.094 0.008 0.000 1.041 292 V CA -2.431 59.855 62.300 -0.024 0.000 0.926 292 V CB 2.109 33.897 31.823 -0.058 0.000 0.992 292 V HN 0.570 nan 8.190 nan 0.000 0.457 293 P HA 0.109 nan 4.420 nan 0.000 0.272 293 P C -1.033 176.292 177.300 0.042 0.000 1.230 293 P CA -0.292 62.845 63.100 0.061 0.000 0.788 293 P CB 0.558 32.322 31.700 0.106 0.000 0.949 294 N N 0.546 119.286 118.700 0.066 0.000 2.767 294 N HA 0.189 4.929 4.740 0.000 0.000 0.238 294 N C 0.530 176.090 175.510 0.082 0.000 1.083 294 N CA -0.007 53.084 53.050 0.070 0.000 0.964 294 N CB -0.263 38.267 38.487 0.072 0.000 1.252 294 N HN 0.383 nan 8.380 nan 0.000 0.512 295 T N -2.357 112.243 114.554 0.076 0.000 3.029 295 T HA 0.121 4.471 4.350 0.000 0.000 0.256 295 T C 1.552 176.306 174.700 0.091 0.000 0.914 295 T CA -0.252 61.900 62.100 0.087 0.000 0.880 295 T CB 0.304 69.211 68.868 0.066 0.000 1.246 295 T HN 0.053 nan 8.240 nan 0.000 0.523 296 K N 2.146 122.589 120.400 0.072 0.000 2.020 296 K HA -0.131 4.189 4.320 0.000 0.000 0.212 296 K C 0.856 177.514 176.600 0.097 0.000 1.050 296 K CA 1.811 58.138 56.287 0.066 0.000 0.929 296 K CB -0.584 31.942 32.500 0.044 0.000 0.714 296 K HN 0.415 nan 8.250 nan 0.000 0.443 297 D N 0.788 121.267 120.400 0.131 0.000 2.323 297 D HA -0.032 4.609 4.640 0.000 0.000 0.239 297 D C 1.428 177.904 176.300 0.292 0.000 1.129 297 D CA 0.160 54.265 54.000 0.175 0.000 0.865 297 D CB 0.220 41.092 40.800 0.119 0.000 0.913 297 D HN 0.240 nan 8.370 nan 0.000 0.517 298 L N -0.215 121.149 121.223 0.234 0.000 2.477 298 L HA -0.018 4.323 4.340 0.000 0.000 0.220 298 L C 0.545 177.619 176.870 0.341 0.000 1.106 298 L CA 0.165 55.170 54.840 0.274 0.000 0.851 298 L CB 0.086 42.331 42.059 0.311 0.000 0.994 298 L HN -0.144 nan 8.230 nan 0.000 0.462 299 S N -0.213 115.619 115.700 0.219 0.000 3.787 299 S HA -0.146 4.324 4.470 0.000 0.000 0.321 299 S C 1.178 175.848 174.600 0.117 0.000 1.119 299 S CA 0.065 58.366 58.200 0.167 0.000 0.918 299 S CB -1.673 61.638 63.200 0.185 0.000 0.913 299 S HN 0.318 nan 8.310 nan 0.000 0.506 300 L N 1.193 122.448 121.223 0.054 0.000 2.189 300 L HA -0.227 4.114 4.340 0.000 0.000 0.214 300 L C 2.450 179.261 176.870 -0.098 0.000 1.097 300 L CA 1.998 56.776 54.840 -0.103 0.000 0.764 300 L CB -0.694 41.324 42.059 -0.068 0.000 0.900 300 L HN 0.713 nan 8.230 nan 0.000 0.436 301 N N -0.239 118.443 118.700 -0.029 0.000 2.309 301 N HA -0.181 4.559 4.740 0.000 0.000 0.182 301 N C 1.449 176.948 175.510 -0.019 0.000 1.018 301 N CA 0.719 53.756 53.050 -0.022 0.000 0.876 301 N CB -0.216 38.272 38.487 0.001 0.000 0.972 301 N HN 0.328 nan 8.380 nan 0.000 0.434 302 K N 0.894 121.293 120.400 -0.002 0.000 2.209 302 K HA 0.047 4.367 4.320 0.000 0.000 0.204 302 K C 1.774 178.364 176.600 -0.018 0.000 1.048 302 K CA 0.574 56.870 56.287 0.015 0.000 0.940 302 K CB -0.033 32.510 32.500 0.070 0.000 0.729 302 K HN 0.334 nan 8.250 nan 0.000 0.451 303 L N -0.730 120.445 121.223 -0.079 0.000 2.766 303 L HA 0.183 4.523 4.340 0.000 0.000 0.242 303 L C 0.554 177.365 176.870 -0.099 0.000 1.136 303 L CA 0.084 54.862 54.840 -0.102 0.000 0.933 303 L CB 0.471 42.417 42.059 -0.189 0.000 1.241 303 L HN 0.274 nan 8.230 nan 0.000 0.522 304 G N 1.688 110.435 108.800 -0.088 0.000 2.272 304 G HA2 -0.279 3.681 3.960 0.000 0.000 0.280 304 G HA3 -0.279 3.681 3.960 0.000 0.000 0.280 304 G C 0.024 174.871 174.900 -0.089 0.000 1.067 304 G CA -0.140 44.918 45.100 -0.070 0.000 0.902 304 G HN 0.263 nan 8.290 nan 0.000 0.500 305 I N 0.328 120.823 120.570 -0.127 0.000 2.416 305 I HA 0.153 4.323 4.170 0.000 0.000 0.288 305 I C 1.119 177.187 176.117 -0.082 0.000 1.051 305 I CA -0.249 60.970 61.300 -0.136 0.000 1.375 305 I CB 1.195 39.057 38.000 -0.230 0.000 1.407 305 I HN 0.281 nan 8.210 nan 0.000 0.516 306 Q N 5.230 124.995 119.800 -0.059 0.000 2.289 306 Q HA 0.169 4.509 4.340 0.000 0.000 0.273 306 Q C -0.392 175.598 176.000 -0.016 0.000 1.029 306 Q CA 0.079 55.863 55.803 -0.032 0.000 0.896 306 Q CB 0.774 29.499 28.738 -0.023 0.000 1.182 306 Q HN 0.767 nan 8.270 nan 0.000 0.385 307 T N -0.134 114.417 114.554 -0.005 0.000 2.907 307 T HA 0.477 4.827 4.350 0.000 0.000 0.290 307 T C -0.643 174.068 174.700 0.019 0.000 1.066 307 T CA -1.062 61.047 62.100 0.015 0.000 1.012 307 T CB 1.487 70.360 68.868 0.008 0.000 1.184 307 T HN 0.607 nan 8.240 nan 0.000 0.522 308 D N -0.783 119.640 120.400 0.038 0.000 2.478 308 D HA 0.192 4.833 4.640 0.000 0.000 0.263 308 D C 1.106 177.411 176.300 0.009 0.000 1.153 308 D CA -0.652 53.368 54.000 0.034 0.000 1.038 308 D CB 0.261 41.104 40.800 0.073 0.000 1.120 308 D HN 0.698 nan 8.370 nan 0.000 0.564 309 D N -0.179 120.225 120.400 0.007 0.000 2.228 309 D HA -0.263 4.378 4.640 0.000 0.000 0.203 309 D C 0.735 177.016 176.300 -0.033 0.000 0.988 309 D CA 1.070 55.066 54.000 -0.008 0.000 0.864 309 D CB -0.077 40.723 40.800 -0.001 0.000 0.928 309 D HN 0.408 nan 8.370 nan 0.000 0.469 310 K N -0.540 119.822 120.400 -0.062 0.000 2.387 310 K HA 0.267 4.588 4.320 0.000 0.000 0.198 310 K C 1.209 177.670 176.600 -0.231 0.000 1.022 310 K CA 0.404 56.599 56.287 -0.154 0.000 1.128 310 K CB 0.743 33.114 32.500 -0.216 0.000 0.853 310 K HN 0.315 nan 8.250 nan 0.000 0.523 311 G N 1.082 109.804 108.800 -0.131 0.000 2.217 311 G HA2 -0.289 3.672 3.960 0.000 0.000 0.246 311 G HA3 -0.289 3.672 3.960 0.000 0.000 0.246 311 G C -0.174 174.696 174.900 -0.050 0.000 0.990 311 G CA -0.083 44.962 45.100 -0.092 0.000 0.627 311 G HN 0.517 nan 8.290 nan 0.000 0.522 312 H N 0.078 119.154 119.070 0.010 0.000 2.871 312 H HA 0.424 4.980 4.556 0.000 0.000 0.355 312 H C 0.992 176.324 175.328 0.006 0.000 1.092 312 H CA 0.062 56.117 56.048 0.011 0.000 1.420 312 H CB 0.679 30.444 29.762 0.006 0.000 1.400 312 H HN 0.255 nan 8.280 nan 0.000 0.604 313 I N 4.218 124.882 120.570 0.157 0.000 2.337 313 I HA 0.000 4.170 4.170 0.000 0.000 0.291 313 I C -0.055 176.094 176.117 0.053 0.000 1.046 313 I CA -0.356 60.990 61.300 0.076 0.000 1.324 313 I CB 0.490 38.527 38.000 0.062 0.000 1.409 313 I HN 0.337 nan 8.210 nan 0.000 0.494 314 I N 7.897 128.487 120.570 0.032 0.000 2.533 314 I HA 0.168 4.338 4.170 0.000 0.000 0.284 314 I C 0.353 176.475 176.117 0.010 0.000 1.109 314 I CA 0.154 61.462 61.300 0.013 0.000 1.412 314 I CB 0.534 38.539 38.000 0.007 0.000 1.396 314 I HN 0.307 nan 8.210 nan 0.000 0.543 315 V N 3.315 123.232 119.914 0.005 0.000 3.130 315 V HA 0.718 4.838 4.120 0.000 0.000 0.310 315 V C -0.565 175.537 176.094 0.015 0.000 1.158 315 V CA -0.973 61.343 62.300 0.027 0.000 1.029 315 V CB 2.224 34.077 31.823 0.049 0.000 1.057 315 V HN 0.704 nan 8.190 nan 0.000 0.436 316 D N 0.487 120.918 120.400 0.053 0.000 2.539 316 D HA 0.233 4.874 4.640 0.000 0.000 0.276 316 D C 0.956 177.263 176.300 0.012 0.000 1.206 316 D CA 0.175 54.201 54.000 0.043 0.000 1.081 316 D CB 0.500 41.359 40.800 0.100 0.000 1.142 316 D HN 0.819 nan 8.370 nan 0.000 0.595 317 E N -1.031 119.140 120.200 -0.049 0.000 2.267 317 E HA -0.141 4.209 4.350 0.000 0.000 0.197 317 E C 0.729 177.148 176.600 -0.301 0.000 0.998 317 E CA 0.996 57.267 56.400 -0.214 0.000 0.830 317 E CB -0.560 28.922 29.700 -0.363 0.000 0.751 317 E HN 0.341 nan 8.360 nan 0.000 0.491 318 F N 0.693 120.684 119.950 0.068 0.000 2.647 318 F HA 0.232 4.759 4.527 0.000 0.000 0.300 318 F C 0.252 176.113 175.800 0.102 0.000 1.106 318 F CA -0.396 57.648 58.000 0.075 0.000 1.313 318 F CB 0.660 39.695 39.000 0.059 0.000 1.007 318 F HN -0.214 nan 8.300 nan 0.000 0.536 319 Q N -1.185 118.757 119.800 0.237 0.000 2.424 319 Q HA -0.221 4.119 4.340 0.000 0.000 0.234 319 Q C -0.733 175.442 176.000 0.293 0.000 0.748 319 Q CA 0.432 56.371 55.803 0.227 0.000 1.286 319 Q CB -2.328 26.544 28.738 0.223 0.000 1.494 319 Q HN 0.368 nan 8.270 nan 0.000 0.683 320 N N 1.807 120.680 118.700 0.288 0.000 2.520 320 N HA 0.182 4.922 4.740 0.000 0.000 0.273 320 N C 0.847 176.417 175.510 0.099 0.000 1.155 320 N CA 0.839 54.030 53.050 0.236 0.000 0.967 320 N CB 1.016 39.629 38.487 0.210 0.000 1.092 320 N HN 0.398 nan 8.380 nan 0.000 0.457 321 T N -1.061 113.498 114.554 0.009 0.000 2.914 321 T HA 0.118 4.468 4.350 0.000 0.000 0.313 321 T C 1.308 175.989 174.700 -0.030 0.000 1.137 321 T CA -0.488 61.599 62.100 -0.022 0.000 0.946 321 T CB 0.314 69.138 68.868 -0.073 0.000 1.558 321 T HN 0.534 nan 8.240 nan 0.000 0.565 322 N N -0.675 117.998 118.700 -0.045 0.000 2.412 322 N HA 0.028 4.768 4.740 0.000 0.000 0.184 322 N C -0.078 175.400 175.510 -0.054 0.000 1.101 322 N CA -0.055 52.973 53.050 -0.036 0.000 0.881 322 N CB -0.242 38.227 38.487 -0.031 0.000 0.969 322 N HN 0.353 nan 8.380 nan 0.000 0.459 323 V N 1.444 121.306 119.914 -0.087 0.000 2.394 323 V HA 0.178 4.298 4.120 0.000 0.000 0.282 323 V C 0.272 176.294 176.094 -0.121 0.000 1.031 323 V CA -0.862 61.378 62.300 -0.100 0.000 0.881 323 V CB 1.327 33.071 31.823 -0.132 0.000 0.982 323 V HN 0.034 nan 8.190 nan 0.000 0.451 324 K N 2.997 123.347 120.400 -0.084 0.000 2.448 324 K HA 0.412 4.733 4.320 0.000 0.000 0.278 324 K C 1.139 177.668 176.600 -0.118 0.000 1.009 324 K CA 1.329 57.570 56.287 -0.077 0.000 0.995 324 K CB 0.384 32.866 32.500 -0.030 0.000 0.917 324 K HN 1.043 nan 8.250 nan 0.000 0.481 325 G N 2.576 111.280 108.800 -0.160 0.000 2.159 325 G HA2 -0.248 3.712 3.960 0.000 0.000 0.256 325 G HA3 -0.248 3.712 3.960 0.000 0.000 0.256 325 G C -0.022 174.649 174.900 -0.382 0.000 0.977 325 G CA 0.108 45.122 45.100 -0.144 0.000 0.652 325 G HN 0.492 nan 8.290 nan 0.000 0.531 326 I N -0.123 120.034 120.570 -0.690 0.000 2.533 326 I HA 0.595 4.766 4.170 0.000 0.000 0.290 326 I C -0.333 175.315 176.117 -0.781 0.000 1.056 326 I CA -1.169 59.809 61.300 -0.538 0.000 1.057 326 I CB 1.675 39.555 38.000 -0.200 0.000 1.240 326 I HN 0.041 nan 8.210 nan 0.000 0.423 327 Y N 3.789 124.176 120.300 0.145 0.000 2.634 327 Y HA 0.871 5.421 4.550 0.000 0.000 0.340 327 Y C -0.003 175.966 175.900 0.115 0.000 1.058 327 Y CA -1.177 56.999 58.100 0.126 0.000 1.081 327 Y CB 1.850 40.400 38.460 0.150 0.000 1.295 327 Y HN 0.560 nan 8.280 nan 0.000 0.487 328 A N 0.738 123.711 122.820 0.255 0.000 2.520 328 A HA 0.833 5.154 4.320 0.000 0.000 0.298 328 A C -1.544 176.132 177.584 0.152 0.000 1.051 328 A CA -0.566 51.572 52.037 0.169 0.000 0.690 328 A CB 1.347 20.416 19.000 0.113 0.000 1.281 328 A HN 1.261 nan 8.150 nan 0.000 0.402 329 V N -0.578 119.410 119.914 0.123 0.000 3.049 329 V HA 0.999 5.119 4.120 0.000 0.000 0.309 329 V C 0.338 176.483 176.094 0.084 0.000 1.148 329 V CA 0.368 62.735 62.300 0.112 0.000 0.990 329 V CB 0.991 32.883 31.823 0.115 0.000 1.039 329 V HN 2.991 nan 8.190 nan 0.000 0.430 330 G N 2.801 111.656 108.800 0.092 0.000 2.615 330 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 330 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 330 G C 0.004 174.940 174.900 0.061 0.000 1.339 330 G CA 0.683 45.828 45.100 0.074 0.000 0.884 330 G HN 1.176 nan 8.290 nan 0.000 0.559 331 D N -0.778 119.658 120.400 0.060 0.000 2.170 331 D HA -0.128 4.512 4.640 0.000 0.000 0.193 331 D C 2.467 178.811 176.300 0.073 0.000 1.004 331 D CA 1.926 55.964 54.000 0.063 0.000 0.860 331 D CB -0.275 40.571 40.800 0.077 0.000 0.931 331 D HN 0.765 nan 8.370 nan 0.000 0.448 332 V N -0.248 119.718 119.914 0.086 0.000 2.828 332 V HA -0.256 3.864 4.120 0.000 0.000 0.260 332 V C 1.780 177.947 176.094 0.121 0.000 1.101 332 V CA 1.492 63.866 62.300 0.123 0.000 1.123 332 V CB -0.302 31.580 31.823 0.098 0.000 0.704 332 V HN 0.380 nan 8.190 nan 0.000 0.493 333 C N 0.272 119.584 119.300 0.019 0.000 2.634 333 C HA 0.437 4.897 4.460 0.000 0.000 0.268 333 C C 1.956 176.749 174.990 -0.329 0.000 1.322 333 C CA 0.230 59.209 59.018 -0.065 0.000 1.737 333 C CB -0.912 26.799 27.740 -0.047 0.000 1.976 333 C HN 0.875 nan 8.230 nan 0.000 0.547 334 G N 1.322 109.853 108.800 -0.449 0.000 2.147 334 G HA2 -0.254 3.706 3.960 0.000 0.000 0.244 334 G HA3 -0.254 3.706 3.960 0.000 0.000 0.244 334 G C -0.211 174.474 174.900 -0.358 0.000 1.005 334 G CA 0.754 45.374 45.100 -0.800 0.000 0.713 334 G HN 0.582 nan 8.290 nan 0.000 0.515 335 K N -0.153 120.134 120.400 -0.188 0.000 2.426 335 K HA 0.752 5.072 4.320 0.000 0.000 0.254 335 K C 0.434 177.046 176.600 0.020 0.000 0.936 335 K CA 0.465 56.681 56.287 -0.119 0.000 0.801 335 K CB 1.327 33.688 32.500 -0.231 0.000 1.139 335 K HN 1.826 nan 8.250 nan 0.000 0.424 336 A N 4.585 127.435 122.820 0.051 0.000 2.018 336 A HA -0.143 4.177 4.320 0.000 0.000 0.263 336 A C -0.405 177.231 177.584 0.087 0.000 1.361 336 A CA 0.672 52.768 52.037 0.098 0.000 0.737 336 A CB -1.865 17.262 19.000 0.212 0.000 1.189 336 A HN 0.672 nan 8.150 nan 0.000 0.304 337 L N 2.033 123.302 121.223 0.077 0.000 2.415 337 L HA 0.406 4.746 4.340 0.000 0.000 0.269 337 L C 0.098 177.026 176.870 0.096 0.000 1.244 337 L CA 0.271 55.168 54.840 0.096 0.000 1.113 337 L CB -0.616 41.519 42.059 0.127 0.000 1.352 337 L HN 0.569 nan 8.230 nan 0.000 0.433 338 L N 0.424 121.685 121.223 0.062 0.000 2.472 338 L HA 0.320 4.660 4.340 0.000 0.000 0.260 338 L C 1.162 178.052 176.870 0.034 0.000 0.963 338 L CA -0.498 54.365 54.840 0.039 0.000 0.829 338 L CB 2.068 44.122 42.059 -0.010 0.000 1.348 338 L HN 0.074 nan 8.230 nan 0.000 0.408 339 T N 1.169 115.744 114.554 0.036 0.000 2.653 339 T HA -0.118 4.232 4.350 0.000 0.000 0.268 339 T C -1.051 173.663 174.700 0.022 0.000 1.035 339 T CA 2.098 64.215 62.100 0.028 0.000 1.154 339 T CB -0.505 68.381 68.868 0.029 0.000 0.862 339 T HN 0.484 nan 8.240 nan 0.000 0.441 340 P HA 0.002 nan 4.420 nan 0.000 0.220 340 P C 1.449 178.738 177.300 -0.019 0.000 1.148 340 P CA 0.585 63.687 63.100 0.002 0.000 0.803 340 P CB -0.092 31.603 31.700 -0.008 0.000 0.782 341 V N -0.222 119.677 119.914 -0.025 0.000 2.407 341 V HA -0.148 3.972 4.120 0.000 0.000 0.245 341 V C 2.421 178.506 176.094 -0.015 0.000 1.041 341 V CA 1.934 64.199 62.300 -0.058 0.000 1.040 341 V CB -1.712 30.090 31.823 -0.034 0.000 0.671 341 V HN 0.080 nan 8.190 nan 0.000 0.455 342 A N 0.250 123.084 122.820 0.022 0.000 1.902 342 A HA -0.171 4.149 4.320 0.000 0.000 0.217 342 A C 2.205 179.807 177.584 0.030 0.000 1.181 342 A CA 1.918 53.977 52.037 0.037 0.000 0.623 342 A CB -0.536 18.482 19.000 0.031 0.000 0.818 342 A HN 0.472 nan 8.150 nan 0.000 0.443 343 I N -0.253 120.334 120.570 0.027 0.000 2.113 343 I HA -0.300 3.870 4.170 0.000 0.000 0.238 343 I C 3.009 179.149 176.117 0.038 0.000 1.070 343 I CA 1.212 62.539 61.300 0.045 0.000 1.332 343 I CB -0.357 37.678 38.000 0.059 0.000 1.044 343 I HN 0.350 nan 8.210 nan 0.000 0.402 344 A N 0.460 123.283 122.820 0.006 0.000 1.948 344 A HA -0.239 4.081 4.320 0.000 0.000 0.220 344 A C 2.433 180.013 177.584 -0.007 0.000 1.177 344 A CA 2.216 54.244 52.037 -0.015 0.000 0.636 344 A CB -0.866 18.088 19.000 -0.077 0.000 0.815 344 A HN 0.494 nan 8.150 nan 0.000 0.449 345 A N -0.938 121.881 122.820 -0.002 0.000 1.935 345 A HA 0.289 4.610 4.320 0.000 0.000 0.214 345 A C 2.374 179.999 177.584 0.068 0.000 1.178 345 A CA 1.481 53.542 52.037 0.041 0.000 0.640 345 A CB -1.183 17.872 19.000 0.092 0.000 0.825 345 A HN 0.708 nan 8.150 nan 0.000 0.447 346 G N -0.231 108.607 108.800 0.064 0.000 2.432 346 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 346 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 346 G C 1.719 176.664 174.900 0.075 0.000 1.135 346 G CA 1.052 46.195 45.100 0.072 0.000 0.767 346 G HN 0.572 nan 8.290 nan 0.000 0.550 347 R N 0.099 120.642 120.500 0.072 0.000 2.057 347 R HA 0.032 4.373 4.340 0.000 0.000 0.229 347 R C 2.438 178.804 176.300 0.109 0.000 1.136 347 R CA 1.339 57.486 56.100 0.079 0.000 0.952 347 R CB -0.260 30.104 30.300 0.107 0.000 0.848 347 R HN 0.103 nan 8.270 nan 0.000 0.430 348 K N 0.725 121.192 120.400 0.111 0.000 2.113 348 K HA -0.158 4.163 4.320 0.000 0.000 0.208 348 K C 1.908 178.561 176.600 0.089 0.000 1.047 348 K CA 1.240 57.601 56.287 0.124 0.000 0.928 348 K CB -0.482 32.067 32.500 0.081 0.000 0.716 348 K HN 0.143 nan 8.250 nan 0.000 0.446 349 L N 0.180 121.426 121.223 0.038 0.000 1.994 349 L HA -0.087 4.253 4.340 0.000 0.000 0.208 349 L C 1.997 178.770 176.870 -0.162 0.000 1.071 349 L CA 2.197 57.000 54.840 -0.061 0.000 0.745 349 L CB -1.045 40.990 42.059 -0.041 0.000 0.892 349 L HN 0.187 nan 8.230 nan 0.000 0.431 350 A N -1.504 121.271 122.820 -0.075 0.000 1.986 350 A HA -0.274 4.047 4.320 0.000 0.000 0.220 350 A C 2.216 179.729 177.584 -0.118 0.000 1.171 350 A CA 1.932 53.934 52.037 -0.057 0.000 0.640 350 A CB -0.966 18.034 19.000 -0.001 0.000 0.811 350 A HN 0.701 nan 8.150 nan 0.000 0.451 351 H N -1.114 117.921 119.070 -0.058 0.000 2.363 351 H HA -0.031 4.525 4.556 0.000 0.000 0.301 351 H C 2.264 177.473 175.328 -0.199 0.000 1.074 351 H CA 1.592 57.589 56.048 -0.084 0.000 1.354 351 H CB -0.182 29.560 29.762 -0.034 0.000 1.397 351 H HN 0.590 nan 8.280 nan 0.000 0.516 352 R N 0.727 121.172 120.500 -0.092 0.000 2.081 352 R HA -0.077 4.263 4.340 0.000 0.000 0.235 352 R C 2.276 178.297 176.300 -0.466 0.000 1.131 352 R CA 0.966 56.943 56.100 -0.206 0.000 0.960 352 R CB -0.095 30.114 30.300 -0.152 0.000 0.856 352 R HN 0.203 nan 8.270 nan 0.000 0.436 353 L N -0.800 119.996 121.223 -0.712 0.000 2.068 353 L HA -0.045 4.296 4.340 0.000 0.000 0.204 353 L C 1.593 177.535 176.870 -1.547 0.000 1.076 353 L CA 1.057 55.148 54.840 -1.248 0.000 0.753 353 L CB -0.214 40.705 42.059 -1.901 0.000 0.910 353 L HN 0.168 nan 8.230 nan 0.000 0.439 354 F N -1.032 118.501 119.950 -0.695 0.000 2.695 354 F HA 0.098 4.625 4.527 0.001 0.000 0.303 354 F C 1.992 177.453 175.800 -0.565 0.000 1.091 354 F CA 0.083 57.709 58.000 -0.623 0.000 1.300 354 F CB 0.077 38.855 39.000 -0.369 0.000 1.071 354 F HN 0.031 nan 8.300 nan 0.000 0.578 355 E N -1.114 118.825 120.200 -0.436 0.000 2.601 355 E HA 0.058 4.408 4.350 0.000 0.000 0.219 355 E C -0.306 176.264 176.600 -0.049 0.000 0.964 355 E CA -0.011 56.340 56.400 -0.081 0.000 1.050 355 E CB 0.144 29.923 29.700 0.131 0.000 1.068 355 E HN 0.281 nan 8.360 nan 0.000 0.496 356 Y N -0.723 119.545 120.300 -0.054 0.000 3.589 356 Y HA -0.257 4.294 4.550 0.000 0.000 0.218 356 Y C -0.304 175.563 175.900 -0.055 0.000 1.234 356 Y CA 0.533 58.589 58.100 -0.073 0.000 1.576 356 Y CB -2.160 36.271 38.460 -0.049 0.000 1.487 356 Y HN -0.049 nan 8.280 nan 0.000 0.616 357 K N 1.514 121.890 120.400 -0.040 0.000 2.231 357 K HA 0.191 4.511 4.320 0.000 0.000 0.255 357 K C 0.893 177.469 176.600 -0.041 0.000 1.108 357 K CA -0.020 56.261 56.287 -0.010 0.000 0.997 357 K CB 0.252 32.748 32.500 -0.007 0.000 1.549 357 K HN 0.486 nan 8.250 nan 0.000 0.419 358 E N 0.625 120.794 120.200 -0.051 0.000 2.273 358 E HA -0.246 4.104 4.350 0.000 0.000 0.198 358 E C 0.240 176.750 176.600 -0.149 0.000 1.002 358 E CA 1.459 57.777 56.400 -0.136 0.000 0.828 358 E CB -0.029 29.604 29.700 -0.112 0.000 0.747 358 E HN 0.499 nan 8.360 nan 0.000 0.491 359 D N 0.495 120.919 120.400 0.040 0.000 2.424 359 D HA 0.032 4.673 4.640 0.000 0.000 0.220 359 D C -0.194 176.284 176.300 0.296 0.000 1.150 359 D CA -0.325 53.827 54.000 0.254 0.000 0.831 359 D CB 0.299 41.203 40.800 0.172 0.000 0.981 359 D HN -0.037 nan 8.370 nan 0.000 0.500 360 S N 0.785 116.607 115.700 0.204 0.000 2.416 360 S HA 0.313 4.784 4.470 0.000 0.000 0.302 360 S C -0.278 174.472 174.600 0.250 0.000 1.120 360 S CA -0.608 57.687 58.200 0.159 0.000 1.067 360 S CB -0.324 62.927 63.200 0.085 0.000 1.057 360 S HN 0.400 nan 8.310 nan 0.000 0.518 361 K N 3.093 123.596 120.400 0.170 0.000 2.532 361 K HA 0.553 4.874 4.320 0.000 0.000 0.265 361 K C -1.448 175.156 176.600 0.006 0.000 0.948 361 K CA -1.169 55.163 56.287 0.076 0.000 0.842 361 K CB 0.919 33.295 32.500 -0.206 0.000 1.392 361 K HN 0.359 nan 8.250 nan 0.000 0.436 362 L N 1.403 122.624 121.223 -0.003 0.000 2.350 362 L HA 0.333 4.674 4.340 0.000 0.000 0.275 362 L C -0.845 175.970 176.870 -0.092 0.000 1.099 362 L CA 0.317 55.095 54.840 -0.103 0.000 0.808 362 L CB 1.146 43.052 42.059 -0.255 0.000 1.149 362 L HN 0.778 nan 8.230 nan 0.000 0.442 363 D N 2.563 122.888 120.400 -0.125 0.000 2.313 363 D HA 0.132 4.772 4.640 0.000 0.000 0.239 363 D C -0.408 175.824 176.300 -0.113 0.000 1.142 363 D CA 0.142 54.116 54.000 -0.043 0.000 0.847 363 D CB 0.506 41.283 40.800 -0.039 0.000 1.082 363 D HN 0.453 nan 8.370 nan 0.000 0.480 364 Y N 2.014 122.287 120.300 -0.045 0.000 2.496 364 Y HA 0.227 4.777 4.550 0.000 0.000 0.313 364 Y C 0.136 176.016 175.900 -0.033 0.000 1.184 364 Y CA -0.366 57.711 58.100 -0.039 0.000 1.275 364 Y CB -0.729 37.705 38.460 -0.044 0.000 1.103 364 Y HN 0.278 nan 8.280 nan 0.000 0.513 365 N N 0.312 119.050 118.700 0.062 0.000 2.430 365 N HA 0.201 4.941 4.740 0.000 0.000 0.292 365 N C -0.488 175.028 175.510 0.009 0.000 1.051 365 N CA -0.636 52.438 53.050 0.040 0.000 0.917 365 N CB 0.523 39.032 38.487 0.036 0.000 1.164 365 N HN 0.139 nan 8.380 nan 0.000 0.484 366 N N 0.222 118.928 118.700 0.010 0.000 2.780 366 N HA -0.167 4.573 4.740 0.000 0.000 0.248 366 N C -1.183 174.315 175.510 -0.020 0.000 1.102 366 N CA 0.238 53.288 53.050 -0.000 0.000 0.697 366 N CB -1.092 37.400 38.487 0.009 0.000 1.028 366 N HN 0.512 nan 8.380 nan 0.000 0.554 367 I N 1.658 122.209 120.570 -0.032 0.000 2.471 367 I HA 0.203 4.373 4.170 0.000 0.000 0.286 367 I C -1.566 174.521 176.117 -0.050 0.000 1.079 367 I CA -1.465 59.803 61.300 -0.054 0.000 1.398 367 I CB 0.565 38.528 38.000 -0.063 0.000 1.403 367 I HN -0.057 nan 8.210 nan 0.000 0.530 368 P HA 0.197 nan 4.420 nan 0.000 0.282 368 P C -0.704 176.556 177.300 -0.067 0.000 1.249 368 P CA -0.300 62.775 63.100 -0.042 0.000 0.806 368 P CB 1.792 33.479 31.700 -0.022 0.000 0.984 369 T N 0.850 115.357 114.554 -0.079 0.000 2.993 369 T HA 0.405 4.756 4.350 0.000 0.000 0.312 369 T C -1.506 173.118 174.700 -0.126 0.000 1.115 369 T CA -0.453 61.578 62.100 -0.115 0.000 1.027 369 T CB 0.925 69.704 68.868 -0.149 0.000 1.116 369 T HN 0.084 nan 8.240 nan 0.000 0.464 370 V N 5.069 124.851 119.914 -0.219 0.000 2.495 370 V HA 0.640 4.760 4.120 0.000 0.000 0.298 370 V C -0.313 175.487 176.094 -0.490 0.000 1.031 370 V CA -0.635 61.432 62.300 -0.389 0.000 0.871 370 V CB 1.950 33.417 31.823 -0.594 0.000 0.988 370 V HN 0.810 nan 8.190 nan 0.000 0.432 371 V N 5.498 125.167 119.914 -0.409 0.000 2.384 371 V HA 0.403 4.523 4.120 0.000 0.000 0.287 371 V C -0.359 175.490 176.094 -0.408 0.000 1.020 371 V CA -0.381 61.765 62.300 -0.258 0.000 0.850 371 V CB 1.407 33.194 31.823 -0.059 0.000 0.987 371 V HN 0.743 nan 8.190 nan 0.000 0.436 372 F N 3.928 123.752 119.950 -0.209 0.000 2.669 372 F HA 0.251 4.778 4.527 0.000 0.000 0.353 372 F C 1.362 177.152 175.800 -0.017 0.000 1.192 372 F CA -0.176 57.542 58.000 -0.470 0.000 1.317 372 F CB -0.090 38.262 39.000 -1.081 0.000 1.652 372 F HN 0.569 nan 8.300 nan 0.000 0.608 373 S N -0.961 114.855 115.700 0.195 0.000 2.690 373 S HA 0.453 4.923 4.470 0.000 0.000 0.285 373 S C -0.438 174.336 174.600 0.290 0.000 1.135 373 S CA -0.793 57.576 58.200 0.282 0.000 1.020 373 S CB 0.980 64.262 63.200 0.136 0.000 1.159 373 S HN 0.383 nan 8.310 nan 0.000 0.534 374 H N 1.722 120.916 119.070 0.206 0.000 2.762 374 H HA 0.428 4.984 4.556 0.000 0.000 0.310 374 H C -2.415 172.953 175.328 0.067 0.000 1.004 374 H CA -1.427 54.695 56.048 0.122 0.000 1.267 374 H CB 1.372 31.135 29.762 0.002 0.000 1.437 374 H HN 0.545 nan 8.280 nan 0.000 0.498 375 P HA 0.134 nan 4.420 nan 0.000 0.274 375 P C -2.761 174.620 177.300 0.136 0.000 1.256 375 P CA -1.783 61.403 63.100 0.142 0.000 0.795 375 P CB 0.524 32.299 31.700 0.125 0.000 1.038 376 P HA 0.197 nan 4.420 nan 0.000 0.271 376 P C -0.103 177.174 177.300 -0.038 0.000 1.216 376 P CA 0.381 63.507 63.100 0.044 0.000 0.771 376 P CB 0.556 32.274 31.700 0.030 0.000 0.864 377 I N 1.820 122.332 120.570 -0.098 0.000 2.577 377 I HA 0.565 4.735 4.170 0.000 0.000 0.300 377 I C 1.108 177.175 176.117 -0.082 0.000 0.990 377 I CA -0.116 61.154 61.300 -0.051 0.000 1.283 377 I CB 1.448 39.434 38.000 -0.023 0.000 1.411 377 I HN 0.395 nan 8.210 nan 0.000 0.515 378 G N 1.769 110.567 108.800 -0.003 0.000 2.682 378 G HA2 0.604 4.564 3.960 0.000 0.000 0.300 378 G HA3 0.604 4.564 3.960 0.000 0.000 0.300 378 G C -1.329 173.607 174.900 0.060 0.000 1.391 378 G CA -0.343 44.751 45.100 -0.010 0.000 0.990 378 G HN 0.530 nan 8.290 nan 0.000 0.501 379 T N -0.815 113.765 114.554 0.043 0.000 3.012 379 T HA 0.598 4.948 4.350 0.000 0.000 0.330 379 T C -1.935 172.764 174.700 -0.002 0.000 1.321 379 T CA -0.440 61.703 62.100 0.072 0.000 1.067 379 T CB 1.846 70.830 68.868 0.193 0.000 1.235 379 T HN 1.396 nan 8.240 nan 0.000 0.479 380 V N 4.372 124.260 119.914 -0.045 0.000 2.752 380 V HA 0.825 4.945 4.120 0.000 0.000 0.302 380 V C 0.266 176.322 176.094 -0.064 0.000 1.133 380 V CA 1.186 63.461 62.300 -0.041 0.000 0.919 380 V CB 0.919 32.734 31.823 -0.012 0.000 1.026 380 V HN 1.930 nan 8.190 nan 0.000 0.429 381 G N 5.183 113.975 108.800 -0.012 0.000 2.500 381 G HA2 -0.074 3.886 3.960 0.000 0.000 0.209 381 G HA3 -0.074 3.886 3.960 0.000 0.000 0.209 381 G C -0.985 173.968 174.900 0.088 0.000 1.283 381 G CA -0.358 44.750 45.100 0.014 0.000 0.960 381 G HN 1.159 nan 8.290 nan 0.000 0.528 382 L N 1.528 122.816 121.223 0.107 0.000 2.371 382 L HA 0.523 4.863 4.340 0.000 0.000 0.272 382 L C 1.713 178.734 176.870 0.252 0.000 1.124 382 L CA -0.166 54.760 54.840 0.143 0.000 0.816 382 L CB 1.203 43.343 42.059 0.135 0.000 1.129 382 L HN 1.006 nan 8.230 nan 0.000 0.448 383 T N -2.319 112.306 114.554 0.118 0.000 2.788 383 T HA 0.046 4.397 4.350 0.000 0.000 0.287 383 T C 0.946 175.688 174.700 0.069 0.000 1.007 383 T CA -0.486 61.598 62.100 -0.025 0.000 1.005 383 T CB 1.248 70.043 68.868 -0.121 0.000 1.012 383 T HN 0.777 nan 8.240 nan 0.000 0.530 384 E N 0.390 120.610 120.200 0.032 0.000 2.085 384 E HA -0.227 4.124 4.350 0.000 0.000 0.194 384 E C 1.153 177.786 176.600 0.054 0.000 0.994 384 E CA 1.840 58.272 56.400 0.052 0.000 0.801 384 E CB -0.291 29.424 29.700 0.026 0.000 0.743 384 E HN 0.774 nan 8.360 nan 0.000 0.453 385 D N 0.134 120.554 120.400 0.034 0.000 2.224 385 D HA -0.109 4.531 4.640 0.000 0.000 0.205 385 D C 1.513 177.863 176.300 0.083 0.000 0.965 385 D CA 0.791 54.818 54.000 0.046 0.000 0.852 385 D CB -0.039 40.769 40.800 0.013 0.000 0.947 385 D HN 0.296 nan 8.370 nan 0.000 0.494 386 E N -0.260 119.989 120.200 0.081 0.000 2.216 386 E HA 0.007 4.357 4.350 0.000 0.000 0.192 386 E C 1.910 178.601 176.600 0.153 0.000 0.988 386 E CA 0.613 57.078 56.400 0.109 0.000 0.834 386 E CB 0.130 29.877 29.700 0.078 0.000 0.772 386 E HN 0.259 nan 8.360 nan 0.000 0.479 387 A N 0.625 123.547 122.820 0.170 0.000 1.878 387 A HA -0.038 4.283 4.320 0.000 0.000 0.213 387 A C 2.047 179.793 177.584 0.270 0.000 1.192 387 A CA 0.432 52.634 52.037 0.276 0.000 0.619 387 A CB -0.353 18.761 19.000 0.190 0.000 0.837 387 A HN 0.165 nan 8.150 nan 0.000 0.446 388 I N -0.796 119.874 120.570 0.167 0.000 2.208 388 I HA -0.316 3.854 4.170 0.000 0.000 0.245 388 I C 2.568 178.769 176.117 0.141 0.000 1.097 388 I CA 1.808 63.190 61.300 0.135 0.000 1.363 388 I CB -0.370 37.685 38.000 0.092 0.000 1.051 388 I HN 0.572 nan 8.210 nan 0.000 0.413 389 H N 1.127 120.222 119.070 0.043 0.000 2.363 389 H HA -0.182 4.374 4.556 0.000 0.000 0.301 389 H C 2.215 177.525 175.328 -0.029 0.000 1.074 389 H CA 1.578 57.630 56.048 0.007 0.000 1.354 389 H CB 0.254 30.014 29.762 -0.002 0.000 1.397 389 H HN 0.213 nan 8.280 nan 0.000 0.516 390 K N -0.798 119.502 120.400 -0.168 0.000 2.296 390 K HA -0.094 4.226 4.320 0.000 0.000 0.200 390 K C 0.864 177.142 176.600 -0.537 0.000 1.048 390 K CA 0.923 56.976 56.287 -0.390 0.000 0.966 390 K CB 0.267 32.557 32.500 -0.350 0.000 0.754 390 K HN 0.244 nan 8.250 nan 0.000 0.466 391 Y N -0.864 119.397 120.300 -0.063 0.000 2.664 391 Y HA 0.305 4.855 4.550 0.000 0.000 0.278 391 Y C 0.590 176.469 175.900 -0.036 0.000 1.130 391 Y CA 0.442 58.517 58.100 -0.042 0.000 1.260 391 Y CB 1.399 39.845 38.460 -0.022 0.000 1.369 391 Y HN 0.105 nan 8.280 nan 0.000 0.499 392 G N 0.519 109.393 108.800 0.124 0.000 3.055 392 G HA2 -0.122 3.838 3.960 0.000 0.000 0.685 392 G HA3 -0.122 3.838 3.960 0.000 0.000 0.685 392 G C 0.141 175.085 174.900 0.073 0.000 1.212 392 G CA -0.449 44.694 45.100 0.071 0.000 0.822 392 G HN 0.238 nan 8.290 nan 0.000 0.610 393 I N 0.103 120.704 120.570 0.051 0.000 2.367 393 I HA -0.165 4.005 4.170 0.000 0.000 0.256 393 I C 2.086 178.214 176.117 0.018 0.000 1.132 393 I CA 2.510 63.829 61.300 0.032 0.000 1.397 393 I CB -0.787 37.226 38.000 0.022 0.000 1.074 393 I HN 0.677 nan 8.210 nan 0.000 0.435 394 E N 0.954 121.168 120.200 0.023 0.000 2.274 394 E HA -0.067 4.284 4.350 0.000 0.000 0.194 394 E C 1.294 177.900 176.600 0.009 0.000 0.996 394 E CA 0.983 57.390 56.400 0.012 0.000 0.840 394 E CB -0.601 29.108 29.700 0.015 0.000 0.772 394 E HN 0.597 nan 8.360 nan 0.000 0.491 395 N N 0.436 119.153 118.700 0.028 0.000 2.203 395 N HA 0.093 4.833 4.740 0.000 0.000 0.207 395 N C -0.834 174.648 175.510 -0.046 0.000 1.130 395 N CA 0.126 53.183 53.050 0.011 0.000 0.861 395 N CB 1.535 40.066 38.487 0.073 0.000 1.005 395 N HN -0.015 nan 8.380 nan 0.000 0.507 396 V N 1.456 121.351 119.914 -0.032 0.000 2.378 396 V HA 0.274 4.394 4.120 0.000 0.000 0.288 396 V C -0.160 175.885 176.094 -0.081 0.000 1.016 396 V CA -0.762 61.498 62.300 -0.066 0.000 0.840 396 V CB 1.967 33.783 31.823 -0.013 0.000 0.994 396 V HN -0.055 nan 8.190 nan 0.000 0.431 397 K N 3.748 124.079 120.400 -0.116 0.000 2.323 397 K HA 0.722 5.043 4.320 0.000 0.000 0.259 397 K C -0.190 176.282 176.600 -0.213 0.000 0.947 397 K CA -0.193 55.983 56.287 -0.185 0.000 0.819 397 K CB 1.674 34.050 32.500 -0.207 0.000 1.109 397 K HN 0.792 nan 8.250 nan 0.000 0.429 398 T N 0.656 115.054 114.554 -0.260 0.000 2.945 398 T HA 0.577 4.928 4.350 0.000 0.000 0.286 398 T C -0.829 173.652 174.700 -0.365 0.000 1.025 398 T CA -0.621 61.370 62.100 -0.183 0.000 1.039 398 T CB 0.696 69.519 68.868 -0.076 0.000 1.068 398 T HN 0.379 nan 8.240 nan 0.000 0.497 399 Y N -0.031 120.245 120.300 -0.038 0.000 2.492 399 Y HA 0.617 5.167 4.550 0.000 0.000 0.346 399 Y C 0.122 176.013 175.900 -0.016 0.000 0.997 399 Y CA -0.622 57.459 58.100 -0.032 0.000 1.025 399 Y CB 2.709 41.135 38.460 -0.056 0.000 1.263 399 Y HN 1.096 nan 8.280 nan 0.000 0.454 400 S N 0.230 116.026 115.700 0.161 0.000 2.588 400 S HA 0.813 5.283 4.470 0.000 0.000 0.269 400 S C -1.111 173.563 174.600 0.125 0.000 1.157 400 S CA -0.995 57.274 58.200 0.115 0.000 0.824 400 S CB 2.369 65.614 63.200 0.075 0.000 1.126 400 S HN 0.606 nan 8.310 nan 0.000 0.464 401 T N -0.066 114.571 114.554 0.138 0.000 2.853 401 T HA 0.753 5.103 4.350 0.000 0.000 0.311 401 T C -1.865 172.943 174.700 0.179 0.000 1.307 401 T CA -0.352 61.860 62.100 0.187 0.000 1.019 401 T CB 1.833 70.858 68.868 0.262 0.000 1.264 401 T HN 0.888 nan 8.240 nan 0.000 0.497 402 S N 2.483 118.299 115.700 0.193 0.000 2.736 402 S HA 0.773 5.243 4.470 0.000 0.000 0.285 402 S C -1.372 173.335 174.600 0.178 0.000 1.163 402 S CA -0.727 57.517 58.200 0.074 0.000 1.025 402 S CB -0.086 63.137 63.200 0.038 0.000 1.030 402 S HN 0.622 nan 8.310 nan 0.000 0.486 403 F N 0.575 120.562 119.950 0.062 0.000 2.692 403 F HA 0.791 5.319 4.527 0.000 0.000 0.320 403 F C -0.477 175.376 175.800 0.089 0.000 1.123 403 F CA -0.971 57.072 58.000 0.071 0.000 0.961 403 F CB 1.031 40.077 39.000 0.076 0.000 1.383 403 F HN 0.221 nan 8.300 nan 0.000 0.483 404 T N 2.137 116.887 114.554 0.327 0.000 2.771 404 T HA 0.477 4.827 4.350 0.000 0.000 0.281 404 T C -2.704 172.250 174.700 0.423 0.000 0.982 404 T CA -1.183 61.065 62.100 0.246 0.000 0.978 404 T CB 1.210 70.186 68.868 0.181 0.000 0.930 404 T HN 0.317 nan 8.240 nan 0.000 0.447 405 P HA 0.063 nan 4.420 nan 0.000 0.265 405 P C 1.166 178.688 177.300 0.370 0.000 1.193 405 P CA -0.143 63.232 63.100 0.459 0.000 0.765 405 P CB 0.353 32.319 31.700 0.443 0.000 0.823 406 M N 1.869 121.638 119.600 0.280 0.000 2.539 406 M HA -0.173 4.308 4.480 0.000 0.000 0.261 406 M C 1.385 177.781 176.300 0.159 0.000 1.069 406 M CA 1.517 56.931 55.300 0.191 0.000 1.081 406 M CB -0.836 31.846 32.600 0.136 0.000 1.412 406 M HN 0.230 nan 8.290 nan 0.000 0.482 407 Y N 1.141 121.488 120.300 0.077 0.000 2.333 407 Y HA -0.199 4.352 4.550 0.000 0.000 0.290 407 Y C 1.859 177.755 175.900 -0.007 0.000 1.144 407 Y CA 1.743 59.848 58.100 0.009 0.000 1.228 407 Y CB -0.415 37.959 38.460 -0.144 0.000 0.985 407 Y HN 0.399 nan 8.280 nan 0.000 0.542 408 H N -0.771 118.310 119.070 0.019 0.000 2.539 408 H HA 0.335 4.891 4.556 0.000 0.000 0.269 408 H C 2.134 177.438 175.328 -0.041 0.000 0.980 408 H CA 0.564 56.589 56.048 -0.039 0.000 1.152 408 H CB -0.061 29.765 29.762 0.106 0.000 1.407 408 H HN 0.469 nan 8.280 nan 0.000 0.564 409 A N 1.118 123.978 122.820 0.067 0.000 2.125 409 A HA -0.065 4.255 4.320 0.000 0.000 0.219 409 A C 2.149 179.705 177.584 -0.046 0.000 1.156 409 A CA 1.576 53.633 52.037 0.035 0.000 0.671 409 A CB -0.387 18.640 19.000 0.044 0.000 0.794 409 A HN 0.281 nan 8.150 nan 0.000 0.459 410 V N -3.543 116.285 119.914 -0.144 0.000 3.477 410 V HA 0.218 4.339 4.120 0.000 0.000 0.297 410 V C 0.662 176.606 176.094 -0.250 0.000 1.433 410 V CA 0.578 62.733 62.300 -0.241 0.000 1.052 410 V CB -0.790 30.788 31.823 -0.409 0.000 0.895 410 V HN 0.461 nan 8.190 nan 0.000 0.438 411 T N -2.227 112.234 114.554 -0.156 0.000 2.943 411 T HA 0.520 4.870 4.350 0.000 0.000 0.284 411 T C 0.536 175.256 174.700 0.033 0.000 1.015 411 T CA -0.331 61.742 62.100 -0.046 0.000 1.042 411 T CB 2.427 71.328 68.868 0.055 0.000 1.055 411 T HN 0.201 nan 8.240 nan 0.000 0.500 412 K N -0.084 120.345 120.400 0.048 0.000 2.098 412 K HA 0.122 4.442 4.320 0.000 0.000 0.203 412 K C 1.351 177.985 176.600 0.057 0.000 1.051 412 K CA 0.245 56.556 56.287 0.039 0.000 0.957 412 K CB 0.092 32.609 32.500 0.028 0.000 0.738 412 K HN 0.492 nan 8.250 nan 0.000 0.447 413 R N 2.027 122.588 120.500 0.103 0.000 2.442 413 R HA 0.030 4.371 4.340 0.000 0.000 0.291 413 R C -0.756 175.587 176.300 0.072 0.000 1.069 413 R CA 0.303 56.464 56.100 0.102 0.000 1.022 413 R CB 0.437 30.844 30.300 0.178 0.000 0.976 413 R HN -0.107 nan 8.270 nan 0.000 0.443 414 K N 2.393 122.733 120.400 -0.100 0.000 2.400 414 K HA 0.422 4.742 4.320 0.000 0.000 0.246 414 K C -0.460 175.890 176.600 -0.417 0.000 0.995 414 K CA -0.767 55.247 56.287 -0.455 0.000 0.840 414 K CB 2.097 34.445 32.500 -0.253 0.000 1.293 414 K HN 0.832 nan 8.250 nan 0.000 0.445 415 T N -2.191 111.990 114.554 -0.621 0.000 2.838 415 T HA 0.589 4.940 4.350 0.000 0.000 0.292 415 T C -0.481 174.137 174.700 -0.136 0.000 1.113 415 T CA -0.881 61.102 62.100 -0.195 0.000 1.008 415 T CB 2.321 71.209 68.868 0.034 0.000 1.259 415 T HN 0.340 nan 8.240 nan 0.000 0.520 416 K N -0.853 119.511 120.400 -0.061 0.000 2.279 416 K HA 0.729 5.049 4.320 0.000 0.000 0.238 416 K C -1.333 175.185 176.600 -0.137 0.000 1.084 416 K CA -0.858 55.376 56.287 -0.089 0.000 0.885 416 K CB 1.974 34.419 32.500 -0.090 0.000 1.319 416 K HN 0.746 nan 8.250 nan 0.000 0.494 417 C N 1.637 120.735 119.300 -0.337 0.000 2.522 417 C HA 0.511 4.971 4.460 0.000 0.000 0.344 417 C C -1.183 173.492 174.990 -0.525 0.000 1.104 417 C CA -0.489 58.232 59.018 -0.495 0.000 1.317 417 C CB -0.121 27.063 27.740 -0.926 0.000 1.896 417 C HN 0.511 nan 8.230 nan 0.000 0.443 418 V N 5.428 125.200 119.914 -0.237 0.000 2.448 418 V HA 0.777 4.898 4.120 0.000 0.000 0.295 418 V C -0.620 175.452 176.094 -0.036 0.000 1.025 418 V CA -0.550 61.678 62.300 -0.120 0.000 0.859 418 V CB 1.545 33.337 31.823 -0.053 0.000 0.988 418 V HN 0.894 nan 8.190 nan 0.000 0.431 419 M N 5.041 124.659 119.600 0.030 0.000 2.326 419 M HA 0.606 5.086 4.480 0.000 0.000 0.306 419 M C -0.691 175.651 176.300 0.069 0.000 1.054 419 M CA -0.466 54.870 55.300 0.060 0.000 0.922 419 M CB 2.530 35.186 32.600 0.094 0.000 1.632 419 M HN 0.805 nan 8.290 nan 0.000 0.436 420 K N 3.623 124.064 120.400 0.067 0.000 2.371 420 K HA 0.746 5.066 4.320 0.000 0.000 0.251 420 K C -1.826 174.790 176.600 0.027 0.000 0.934 420 K CA -0.623 55.713 56.287 0.082 0.000 0.798 420 K CB 2.406 34.988 32.500 0.136 0.000 1.204 420 K HN 0.888 nan 8.250 nan 0.000 0.427 421 M N 5.050 124.663 119.600 0.022 0.000 2.151 421 M HA 0.269 4.749 4.480 0.000 0.000 0.290 421 M C -1.731 174.568 176.300 -0.001 0.000 0.965 421 M CA -0.837 54.426 55.300 -0.062 0.000 0.930 421 M CB 1.623 34.154 32.600 -0.114 0.000 1.560 421 M HN 0.295 nan 8.290 nan 0.000 0.438 422 V N 4.738 124.627 119.914 -0.041 0.000 2.364 422 V HA 0.371 4.492 4.120 0.000 0.000 0.272 422 V C -0.260 175.790 176.094 -0.072 0.000 1.036 422 V CA -0.524 61.765 62.300 -0.018 0.000 0.880 422 V CB 0.583 32.428 31.823 0.037 0.000 0.991 422 V HN 0.938 nan 8.190 nan 0.000 0.460 423 C N 4.284 123.546 119.300 -0.063 0.000 2.435 423 C HA 0.942 5.403 4.460 0.000 0.000 0.333 423 C C 0.593 175.481 174.990 -0.169 0.000 1.202 423 C CA -0.512 58.449 59.018 -0.094 0.000 1.830 423 C CB 1.095 28.839 27.740 0.008 0.000 2.326 423 C HN 1.019 nan 8.230 nan 0.000 0.507 424 A N 3.299 125.967 122.820 -0.255 0.000 2.414 424 A HA 0.856 5.176 4.320 0.000 0.000 0.306 424 A C -0.366 177.041 177.584 -0.295 0.000 1.054 424 A CA -0.342 51.434 52.037 -0.434 0.000 0.724 424 A CB 0.570 18.975 19.000 -0.992 0.000 1.267 424 A HN 1.148 nan 8.150 nan 0.000 0.418 425 N N -0.306 118.256 118.700 -0.229 0.000 6.891 425 N HA -0.190 4.551 4.740 0.000 0.000 0.420 425 N C 0.686 176.163 175.510 -0.055 0.000 0.939 425 N CA 0.821 53.814 53.050 -0.094 0.000 1.300 425 N CB -0.276 38.175 38.487 -0.060 0.000 0.824 425 N HN 0.816 nan 8.380 nan 0.000 0.284 426 K N 1.047 121.433 120.400 -0.023 0.000 2.057 426 K HA -0.166 4.154 4.320 0.000 0.000 0.207 426 K C 1.673 178.268 176.600 -0.008 0.000 1.049 426 K CA 1.767 58.049 56.287 -0.010 0.000 0.931 426 K CB -0.030 32.471 32.500 0.000 0.000 0.714 426 K HN 0.535 nan 8.250 nan 0.000 0.440 427 E N 0.894 121.087 120.200 -0.012 0.000 2.427 427 E HA -0.147 4.203 4.350 0.000 0.000 0.196 427 E C -0.599 175.991 176.600 -0.016 0.000 1.028 427 E CA 0.636 57.032 56.400 -0.007 0.000 0.864 427 E CB -0.140 29.558 29.700 -0.003 0.000 0.813 427 E HN 0.286 nan 8.360 nan 0.000 0.514 428 E N 0.999 121.179 120.200 -0.032 0.000 2.260 428 E HA -0.173 4.177 4.350 0.000 0.000 0.204 428 E C -0.638 175.922 176.600 -0.067 0.000 1.319 428 E CA 0.427 56.802 56.400 -0.041 0.000 0.679 428 E CB -1.251 28.453 29.700 0.008 0.000 1.158 428 E HN 0.260 nan 8.360 nan 0.000 0.376 429 K N 1.067 121.416 120.400 -0.085 0.000 2.416 429 K HA 0.162 4.482 4.320 0.000 0.000 0.283 429 K C 0.034 176.565 176.600 -0.115 0.000 1.037 429 K CA -0.245 55.997 56.287 -0.076 0.000 0.995 429 K CB 0.763 33.225 32.500 -0.063 0.000 0.938 429 K HN 0.012 nan 8.250 nan 0.000 0.475 430 V N 6.913 126.750 119.914 -0.128 0.000 2.390 430 V HA -0.053 4.067 4.120 0.000 0.000 0.260 430 V C 1.134 177.160 176.094 -0.113 0.000 1.043 430 V CA 0.077 62.260 62.300 -0.195 0.000 1.047 430 V CB 0.393 31.986 31.823 -0.382 0.000 1.066 430 V HN 0.749 nan 8.190 nan 0.000 0.481 431 V N 2.189 122.038 119.914 -0.107 0.000 3.647 431 V HA 0.626 4.746 4.120 0.000 0.000 0.279 431 V C 0.793 176.861 176.094 -0.042 0.000 1.314 431 V CA 0.734 63.005 62.300 -0.048 0.000 1.125 431 V CB 0.053 31.860 31.823 -0.028 0.000 0.907 431 V HN 0.803 nan 8.190 nan 0.000 0.434 432 G N 0.131 108.862 108.800 -0.115 0.000 2.750 432 G HA2 0.639 4.599 3.960 0.000 0.000 0.298 432 G HA3 0.639 4.599 3.960 0.000 0.000 0.298 432 G C -1.716 172.908 174.900 -0.460 0.000 1.412 432 G CA -0.560 44.404 45.100 -0.228 0.000 1.078 432 G HN 0.148 nan 8.290 nan 0.000 0.573 433 I N 2.993 123.179 120.570 -0.640 0.000 2.447 433 I HA 0.485 4.655 4.170 0.000 0.000 0.287 433 I C -0.810 174.924 176.117 -0.638 0.000 1.023 433 I CA -0.727 60.266 61.300 -0.512 0.000 1.083 433 I CB 2.013 39.861 38.000 -0.253 0.000 1.245 433 I HN 0.452 nan 8.210 nan 0.000 0.434 434 H N 7.912 126.972 119.070 -0.016 0.000 2.759 434 H HA 0.753 5.310 4.556 0.000 0.000 0.354 434 H C -0.825 174.508 175.328 0.007 0.000 1.074 434 H CA -0.785 55.269 56.048 0.010 0.000 1.226 434 H CB 2.043 31.821 29.762 0.027 0.000 1.648 434 H HN 0.559 nan 8.280 nan 0.000 0.529 435 M N 0.982 120.655 119.600 0.121 0.000 2.773 435 M HA 0.510 4.991 4.480 0.000 0.000 0.270 435 M C -1.786 174.545 176.300 0.051 0.000 1.238 435 M CA -0.983 54.355 55.300 0.064 0.000 0.832 435 M CB 3.604 36.228 32.600 0.040 0.000 1.672 435 M HN 0.458 nan 8.290 nan 0.000 0.480 436 Q N 0.575 120.385 119.800 0.018 0.000 2.313 436 Q HA 0.729 5.069 4.340 0.000 0.000 0.260 436 Q C -1.513 174.481 176.000 -0.009 0.000 0.972 436 Q CA -0.096 55.713 55.803 0.010 0.000 0.886 436 Q CB 2.550 31.291 28.738 0.005 0.000 1.373 436 Q HN 1.278 nan 8.270 nan 0.000 0.416 437 G N 1.853 110.667 108.800 0.022 0.000 2.322 437 G HA2 0.234 4.195 3.960 0.000 0.000 0.295 437 G HA3 0.234 4.195 3.960 0.000 0.000 0.295 437 G C -1.682 173.276 174.900 0.097 0.000 1.369 437 G CA -1.063 44.056 45.100 0.032 0.000 0.821 437 G HN 0.552 nan 8.290 nan 0.000 0.536 438 L N 1.201 122.506 121.223 0.137 0.000 2.462 438 L HA 0.394 4.734 4.340 0.000 0.000 0.272 438 L C 1.665 178.620 176.870 0.141 0.000 1.166 438 L CA 1.523 56.456 54.840 0.156 0.000 0.880 438 L CB 0.760 42.916 42.059 0.161 0.000 1.142 438 L HN 1.827 nan 8.230 nan 0.000 0.473 439 G N 1.818 110.705 108.800 0.145 0.000 2.176 439 G HA2 -0.273 3.687 3.960 0.000 0.000 0.253 439 G HA3 -0.273 3.687 3.960 0.000 0.000 0.253 439 G C 0.783 175.754 174.900 0.118 0.000 0.979 439 G CA 0.165 45.343 45.100 0.129 0.000 0.641 439 G HN 0.706 nan 8.290 nan 0.000 0.530 440 C N 1.888 121.250 119.300 0.105 0.000 2.449 440 C HA 0.075 4.535 4.460 0.000 0.000 0.283 440 C C 2.639 177.641 174.990 0.019 0.000 1.453 440 C CA 1.216 60.278 59.018 0.073 0.000 1.779 440 C CB -0.763 27.008 27.740 0.052 0.000 1.779 440 C HN 0.772 nan 8.230 nan 0.000 0.546 441 D N 0.875 121.281 120.400 0.009 0.000 2.123 441 D HA -0.127 4.513 4.640 0.000 0.000 0.200 441 D C 1.580 177.885 176.300 0.008 0.000 0.976 441 D CA 1.330 55.291 54.000 -0.066 0.000 0.831 441 D CB -0.489 40.289 40.800 -0.036 0.000 0.974 441 D HN 0.375 nan 8.370 nan 0.000 0.469 442 E N -0.316 119.920 120.200 0.060 0.000 2.400 442 E HA 0.100 4.450 4.350 0.000 0.000 0.195 442 E C 2.045 178.673 176.600 0.047 0.000 1.012 442 E CA -0.124 56.308 56.400 0.053 0.000 0.875 442 E CB -0.003 29.733 29.700 0.060 0.000 0.859 442 E HN 0.364 nan 8.360 nan 0.000 0.498 443 M N 0.354 120.002 119.600 0.081 0.000 2.229 443 M HA -0.121 4.359 4.480 0.000 0.000 0.264 443 M C 2.037 178.441 176.300 0.174 0.000 1.063 443 M CA 0.811 56.192 55.300 0.136 0.000 1.114 443 M CB 0.079 32.803 32.600 0.206 0.000 1.387 443 M HN 0.104 nan 8.290 nan 0.000 0.420 444 L N 0.479 121.783 121.223 0.134 0.000 2.027 444 L HA -0.217 4.123 4.340 0.000 0.000 0.206 444 L C 2.309 179.232 176.870 0.088 0.000 1.074 444 L CA 1.906 56.835 54.840 0.149 0.000 0.745 444 L CB -0.784 41.316 42.059 0.069 0.000 0.898 444 L HN 0.300 nan 8.230 nan 0.000 0.433 445 Q N -0.313 119.497 119.800 0.016 0.000 2.156 445 Q HA -0.199 4.141 4.340 0.000 0.000 0.211 445 Q C 2.047 178.015 176.000 -0.053 0.000 0.995 445 Q CA 2.341 58.134 55.803 -0.017 0.000 0.877 445 Q CB -0.932 27.789 28.738 -0.028 0.000 0.920 445 Q HN 0.586 nan 8.270 nan 0.000 0.416 446 G N -1.414 107.303 108.800 -0.138 0.000 2.394 446 G HA2 -0.208 3.752 3.960 0.000 0.000 0.214 446 G HA3 -0.208 3.752 3.960 0.000 0.000 0.214 446 G C 0.968 175.721 174.900 -0.244 0.000 1.176 446 G CA 0.638 45.587 45.100 -0.253 0.000 0.786 446 G HN 0.394 nan 8.290 nan 0.000 0.533 447 F N 1.901 121.826 119.950 -0.042 0.000 2.269 447 F HA 0.087 4.614 4.527 0.000 0.000 0.301 447 F C 2.938 178.764 175.800 0.043 0.000 1.082 447 F CA 0.570 58.571 58.000 0.001 0.000 1.360 447 F CB -0.378 38.684 39.000 0.103 0.000 1.041 447 F HN 0.243 nan 8.300 nan 0.000 0.512 448 A N -0.239 122.675 122.820 0.157 0.000 1.969 448 A HA -0.074 4.246 4.320 0.000 0.000 0.218 448 A C 2.339 179.953 177.584 0.050 0.000 1.169 448 A CA 1.635 53.726 52.037 0.090 0.000 0.635 448 A CB -1.065 17.961 19.000 0.044 0.000 0.810 448 A HN 0.177 nan 8.150 nan 0.000 0.445 449 V N -0.252 119.668 119.914 0.011 0.000 2.379 449 V HA -0.184 3.936 4.120 0.000 0.000 0.245 449 V C 3.008 179.107 176.094 0.009 0.000 1.044 449 V CA 1.767 64.060 62.300 -0.012 0.000 1.036 449 V CB -1.198 30.593 31.823 -0.054 0.000 0.664 449 V HN 0.581 nan 8.190 nan 0.000 0.453 450 A N -0.027 122.803 122.820 0.017 0.000 1.898 450 A HA -0.130 4.190 4.320 0.000 0.000 0.216 450 A C 2.334 180.014 177.584 0.161 0.000 1.181 450 A CA 1.868 53.937 52.037 0.053 0.000 0.620 450 A CB -0.637 18.342 19.000 -0.034 0.000 0.819 450 A HN 0.343 nan 8.150 nan 0.000 0.442 451 V N 0.158 120.192 119.914 0.200 0.000 2.626 451 V HA -0.188 3.932 4.120 0.000 0.000 0.252 451 V C 2.414 178.562 176.094 0.090 0.000 1.067 451 V CA 2.010 64.410 62.300 0.166 0.000 1.081 451 V CB -0.541 31.363 31.823 0.136 0.000 0.686 451 V HN 0.482 nan 8.190 nan 0.000 0.468 452 K N -0.375 120.063 120.400 0.064 0.000 2.228 452 K HA 0.087 4.408 4.320 0.000 0.000 0.202 452 K C 1.880 178.500 176.600 0.033 0.000 1.051 452 K CA 0.871 57.180 56.287 0.036 0.000 0.960 452 K CB -0.024 32.485 32.500 0.016 0.000 0.743 452 K HN 0.421 nan 8.250 nan 0.000 0.458 453 M N -0.450 119.174 119.600 0.039 0.000 2.659 453 M HA 0.039 4.519 4.480 0.000 0.000 0.243 453 M C 0.583 176.909 176.300 0.043 0.000 1.111 453 M CA 0.665 55.984 55.300 0.031 0.000 1.070 453 M CB 0.512 33.126 32.600 0.023 0.000 1.525 453 M HN 0.247 nan 8.290 nan 0.000 0.517 454 G N 1.392 110.226 108.800 0.057 0.000 2.248 454 G HA2 -0.124 3.836 3.960 0.000 0.000 0.252 454 G HA3 -0.124 3.836 3.960 0.000 0.000 0.252 454 G C -0.009 174.935 174.900 0.073 0.000 1.085 454 G CA -0.067 45.067 45.100 0.056 0.000 0.845 454 G HN 0.691 nan 8.290 nan 0.000 0.494 455 A N 0.228 123.122 122.820 0.124 0.000 2.462 455 A HA 0.781 5.101 4.320 0.000 0.000 0.243 455 A C 1.051 178.715 177.584 0.134 0.000 1.076 455 A CA 1.061 53.208 52.037 0.183 0.000 0.773 455 A CB 0.365 19.585 19.000 0.365 0.000 1.010 455 A HN 1.930 nan 8.150 nan 0.000 0.493 456 T N -0.605 114.017 114.554 0.114 0.000 2.944 456 T HA 0.379 4.730 4.350 0.000 0.000 0.284 456 T C 0.982 175.706 174.700 0.040 0.000 1.010 456 T CA -0.400 61.721 62.100 0.034 0.000 1.025 456 T CB 1.314 70.197 68.868 0.025 0.000 1.079 456 T HN 0.671 nan 8.240 nan 0.000 0.516 457 K N 0.525 120.879 120.400 -0.075 0.000 2.113 457 K HA -0.151 4.170 4.320 0.000 0.000 0.208 457 K C 2.343 178.951 176.600 0.014 0.000 1.047 457 K CA 1.485 57.695 56.287 -0.129 0.000 0.928 457 K CB -0.827 31.549 32.500 -0.206 0.000 0.716 457 K HN 0.746 nan 8.250 nan 0.000 0.446 458 A N 1.420 124.253 122.820 0.021 0.000 1.972 458 A HA -0.195 4.125 4.320 0.000 0.000 0.219 458 A C 1.579 179.215 177.584 0.085 0.000 1.169 458 A CA 1.928 53.987 52.037 0.037 0.000 0.635 458 A CB -0.420 18.593 19.000 0.022 0.000 0.810 458 A HN 0.398 nan 8.150 nan 0.000 0.446 459 D N -0.839 119.643 120.400 0.135 0.000 2.117 459 D HA -0.117 4.523 4.640 0.000 0.000 0.197 459 D C 1.567 177.970 176.300 0.171 0.000 0.987 459 D CA 1.107 55.191 54.000 0.139 0.000 0.829 459 D CB -0.383 40.513 40.800 0.160 0.000 0.961 459 D HN 0.457 nan 8.370 nan 0.000 0.460 460 F N 1.567 121.525 119.950 0.012 0.000 2.146 460 F HA -0.106 4.421 4.527 0.000 0.000 0.298 460 F C 2.087 177.892 175.800 0.008 0.000 1.096 460 F CA 0.953 58.975 58.000 0.037 0.000 1.275 460 F CB -0.303 38.702 39.000 0.008 0.000 1.008 460 F HN -0.156 nan 8.300 nan 0.000 0.480 461 D N -0.802 119.703 120.400 0.175 0.000 2.312 461 D HA -0.084 4.556 4.640 0.000 0.000 0.211 461 D C 0.923 177.247 176.300 0.040 0.000 0.964 461 D CA 0.740 54.779 54.000 0.066 0.000 0.877 461 D CB -0.360 40.442 40.800 0.004 0.000 0.924 461 D HN 0.201 nan 8.370 nan 0.000 0.515 462 N N 0.283 119.009 118.700 0.043 0.000 2.451 462 N HA 0.055 4.795 4.740 0.000 0.000 0.264 462 N C -0.726 174.789 175.510 0.009 0.000 1.167 462 N CA 0.180 53.242 53.050 0.019 0.000 0.898 462 N CB 0.813 39.309 38.487 0.016 0.000 1.176 462 N HN -0.087 nan 8.380 nan 0.000 0.507 463 T N 0.416 114.977 114.554 0.012 0.000 2.864 463 T HA 0.231 4.581 4.350 0.000 0.000 0.310 463 T C 0.498 175.199 174.700 0.002 0.000 1.040 463 T CA -0.406 61.690 62.100 -0.008 0.000 0.977 463 T CB 1.951 70.803 68.868 -0.028 0.000 0.976 463 T HN -0.190 nan 8.240 nan 0.000 0.459 464 V N 3.322 123.233 119.914 -0.005 0.000 2.625 464 V HA 0.177 4.297 4.120 0.000 0.000 0.305 464 V C 1.175 177.273 176.094 0.007 0.000 1.055 464 V CA -0.174 62.125 62.300 -0.001 0.000 1.209 464 V CB -0.510 31.310 31.823 -0.006 0.000 0.877 464 V HN 1.046 nan 8.190 nan 0.000 0.489 465 A N 6.462 129.291 122.820 0.015 0.000 2.346 465 A HA 0.621 4.941 4.320 0.000 0.000 0.252 465 A C -0.160 177.451 177.584 0.045 0.000 1.089 465 A CA -0.359 51.699 52.037 0.034 0.000 0.797 465 A CB 0.177 19.195 19.000 0.029 0.000 1.047 465 A HN 0.768 nan 8.150 nan 0.000 0.494 466 I N 0.904 121.512 120.570 0.063 0.000 2.355 466 I HA 0.270 4.441 4.170 0.000 0.000 0.288 466 I C -0.508 175.680 176.117 0.117 0.000 0.999 466 I CA -0.164 61.177 61.300 0.067 0.000 1.163 466 I CB 1.265 39.288 38.000 0.039 0.000 1.316 466 I HN 0.809 nan 8.210 nan 0.000 0.454 467 H N 7.599 126.672 119.070 0.004 0.000 2.538 467 H HA 0.612 5.168 4.556 0.000 0.000 0.353 467 H C -2.568 172.765 175.328 0.009 0.000 1.109 467 H CA -1.889 54.161 56.048 0.004 0.000 1.192 467 H CB 1.723 31.483 29.762 -0.003 0.000 1.555 467 H HN 0.286 nan 8.280 nan 0.000 0.518 468 P HA 0.313 nan 4.420 nan 0.000 0.300 468 P C -1.310 175.943 177.300 -0.078 0.000 1.356 468 P CA -0.551 62.304 63.100 -0.409 0.000 0.823 468 P CB 1.289 32.692 31.700 -0.495 0.000 0.934 469 T N -2.054 112.519 114.554 0.032 0.000 2.841 469 T HA 0.373 4.723 4.350 0.000 0.000 0.296 469 T C 0.648 175.411 174.700 0.105 0.000 1.166 469 T CA -0.542 61.599 62.100 0.069 0.000 1.007 469 T CB 1.321 70.234 68.868 0.074 0.000 1.253 469 T HN -0.078 nan 8.240 nan 0.000 0.511 470 S N 0.335 116.134 115.700 0.165 0.000 2.458 470 S HA 0.003 4.474 4.470 0.000 0.000 0.223 470 S C 2.266 177.012 174.600 0.242 0.000 1.019 470 S CA 0.891 59.249 58.200 0.264 0.000 0.937 470 S CB -0.425 62.992 63.200 0.361 0.000 0.788 470 S HN 0.884 nan 8.310 nan 0.000 0.511 471 S N 2.804 118.631 115.700 0.211 0.000 2.399 471 S HA -0.204 4.266 4.470 0.000 0.000 0.231 471 S C 1.763 176.500 174.600 0.229 0.000 1.022 471 S CA 1.206 59.564 58.200 0.263 0.000 0.983 471 S CB -0.684 62.676 63.200 0.266 0.000 0.803 471 S HN 0.808 nan 8.310 nan 0.000 0.480 472 E N 1.420 121.707 120.200 0.146 0.000 2.267 472 E HA -0.206 4.144 4.350 0.000 0.000 0.197 472 E C 1.544 178.177 176.600 0.055 0.000 0.998 472 E CA 1.154 57.615 56.400 0.102 0.000 0.830 472 E CB -0.360 29.385 29.700 0.074 0.000 0.751 472 E HN 0.383 nan 8.360 nan 0.000 0.491 473 E N 0.788 120.999 120.200 0.019 0.000 2.204 473 E HA -0.103 4.247 4.350 0.000 0.000 0.195 473 E C 2.042 178.661 176.600 0.032 0.000 0.990 473 E CA 0.643 57.025 56.400 -0.029 0.000 0.821 473 E CB -0.094 29.568 29.700 -0.063 0.000 0.750 473 E HN 0.425 nan 8.360 nan 0.000 0.477 474 L N 0.197 121.450 121.223 0.049 0.000 2.240 474 L HA -0.073 4.268 4.340 0.000 0.000 0.211 474 L C 1.932 178.845 176.870 0.072 0.000 1.106 474 L CA 0.483 55.309 54.840 -0.023 0.000 0.793 474 L CB 0.174 42.064 42.059 -0.281 0.000 0.927 474 L HN 0.001 nan 8.230 nan 0.000 0.446 475 V N -4.900 115.094 119.914 0.132 0.000 3.444 475 V HA 0.161 4.281 4.120 0.000 0.000 0.308 475 V C 1.084 177.212 176.094 0.056 0.000 1.371 475 V CA 0.715 63.108 62.300 0.155 0.000 1.141 475 V CB -0.606 31.319 31.823 0.170 0.000 1.037 475 V HN 0.440 nan 8.190 nan 0.000 0.433 476 T N -2.825 111.734 114.554 0.009 0.000 3.332 476 T HA 0.428 4.778 4.350 0.000 0.000 0.304 476 T C 0.110 174.780 174.700 -0.050 0.000 0.971 476 T CA -0.264 61.820 62.100 -0.027 0.000 0.954 476 T CB -0.329 68.519 68.868 -0.032 0.000 1.175 476 T HN 0.289 nan 8.240 nan 0.000 0.519 477 L N 1.893 123.072 121.223 -0.074 0.000 2.453 477 L HA 0.516 4.856 4.340 0.000 0.000 0.272 477 L C 0.678 177.460 176.870 -0.148 0.000 1.182 477 L CA -0.086 54.703 54.840 -0.084 0.000 0.858 477 L CB 0.605 42.591 42.059 -0.122 0.000 1.120 477 L HN 0.300 nan 8.230 nan 0.000 0.474 478 R N 0.000 120.484 120.500 -0.027 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.107 56.100 0.011 0.000 0.921 478 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535