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 3dk9_1_A DATA FIRST_RESID 17 DATA SEQUENCE AVASYDYLVI GGGSGGLASA RRAAELGARA AVVESHKLGG TCVNVGCVPK DATA SEQUENCE KVMWNTAVHS EFMHDHADYG FPSCEGKFNW RVIKEKRDAY VSRLNAIYQN DATA SEQUENCE NLTKSHIEII RGHAAFTSDP KPTIEVSGKK YTAPHILIAT GGMPSTPHES DATA SEQUENCE QIPGASLGIT SDGFFQLEEL PGRSVIVGAG YIAVEMAGIL SALGSKTSLM DATA SEQUENCE IRHDKVLRSF DSMISTNCTE ELENAGVEVL KFSQVKEVKK TLSGLEVSMV DATA SEQUENCE TAVPGRLPVM TMIPDVDCLL WAIGRVPNTK DLSLNKLGIQ TDDKGHIIVD DATA SEQUENCE EFQNTNVKGI YAVGDVCGKA LLTPVAIAAG RKLAHRLFEY KEDSKLDYNN DATA SEQUENCE IPTVVFSHPP IGTVGLTEDE AIHKYGIENV KTYSTSFTPM YHAVTKRKTK DATA SEQUENCE CVMKMVCANK EEKVVGIHMQ GLGCDEMLQG FAVAVKMGAT KADFDNTVAI DATA SEQUENCE HPTSSEELVT LR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.537 177.584 -0.078 0.000 1.274 17 A CA 0.000 52.006 52.037 -0.051 0.000 0.836 17 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 18 V N 1.223 121.098 119.914 -0.064 0.000 2.483 18 V HA 0.711 4.833 4.120 0.003 0.000 0.297 18 V C 0.348 176.412 176.094 -0.049 0.000 1.027 18 V CA 0.222 62.480 62.300 -0.070 0.000 0.855 18 V CB 1.292 33.103 31.823 -0.021 0.000 0.995 18 V HN 2.087 nan 8.190 nan 0.000 0.424 19 A N 4.708 127.492 122.820 -0.061 0.000 2.363 19 A HA 0.752 5.074 4.320 0.003 0.000 0.270 19 A C 0.167 177.818 177.584 0.113 0.000 1.121 19 A CA -0.008 52.036 52.037 0.012 0.000 0.800 19 A CB 1.072 20.135 19.000 0.105 0.000 1.052 19 A HN 0.932 nan 8.150 nan 0.000 0.493 20 S N 0.952 116.616 115.700 -0.061 0.000 2.501 20 S HA 0.762 5.234 4.470 0.003 0.000 0.301 20 S C -1.250 173.196 174.600 -0.258 0.000 1.096 20 S CA -0.325 57.876 58.200 0.003 0.000 1.063 20 S CB 0.252 63.453 63.200 0.002 0.000 1.042 20 S HN 0.488 nan 8.310 nan 0.000 0.494 21 Y N 1.067 121.441 120.300 0.123 0.000 2.634 21 Y HA 0.397 4.949 4.550 0.003 0.000 0.340 21 Y C 1.045 177.044 175.900 0.165 0.000 1.058 21 Y CA -0.993 57.184 58.100 0.127 0.000 1.081 21 Y CB 1.038 39.573 38.460 0.126 0.000 1.295 21 Y HN 0.538 nan 8.280 nan 0.000 0.487 22 D N -0.150 120.446 120.400 0.326 0.000 2.194 22 D HA -0.112 4.530 4.640 0.003 0.000 0.204 22 D C -0.599 176.039 176.300 0.564 0.000 0.964 22 D CA 1.792 56.016 54.000 0.373 0.000 0.846 22 D CB 0.362 41.290 40.800 0.214 0.000 0.962 22 D HN 0.269 nan 8.370 nan 0.000 0.490 23 Y N 0.393 120.850 120.300 0.262 0.000 2.362 23 Y HA 0.389 4.941 4.550 0.004 0.000 0.326 23 Y C -1.511 174.456 175.900 0.112 0.000 1.083 23 Y CA -1.071 57.175 58.100 0.244 0.000 1.073 23 Y CB 0.806 39.310 38.460 0.073 0.000 1.211 23 Y HN -0.291 nan 8.280 nan 0.000 0.433 24 L N 6.465 127.711 121.223 0.038 0.000 2.313 24 L HA 0.700 5.042 4.340 0.003 0.000 0.283 24 L C -0.914 175.747 176.870 -0.348 0.000 1.013 24 L CA -1.143 53.580 54.840 -0.196 0.000 0.816 24 L CB 1.806 43.801 42.059 -0.108 0.000 1.236 24 L HN 0.323 nan 8.230 nan 0.000 0.419 25 V N 4.979 124.650 119.914 -0.406 0.000 2.409 25 V HA 0.399 4.521 4.120 0.003 0.000 0.291 25 V C 0.111 176.054 176.094 -0.252 0.000 1.020 25 V CA -0.364 61.717 62.300 -0.364 0.000 0.848 25 V CB 1.884 33.468 31.823 -0.398 0.000 0.990 25 V HN 0.508 nan 8.190 nan 0.000 0.430 26 I N 4.840 125.298 120.570 -0.188 0.000 2.291 26 I HA 0.687 4.858 4.170 0.003 0.000 0.290 26 I C 0.756 176.800 176.117 -0.122 0.000 1.050 26 I CA 0.016 61.208 61.300 -0.180 0.000 1.245 26 I CB 0.925 38.809 38.000 -0.193 0.000 1.405 26 I HN 0.858 nan 8.210 nan 0.000 0.478 27 G N 3.623 112.348 108.800 -0.124 0.000 3.363 27 G HA2 0.030 3.991 3.960 0.003 0.000 0.685 27 G HA3 0.030 3.991 3.960 0.003 0.000 0.685 27 G C -0.102 174.742 174.900 -0.093 0.000 1.199 27 G CA -0.584 44.466 45.100 -0.084 0.000 0.946 27 G HN 0.931 nan 8.290 nan 0.000 0.558 28 G N 0.781 109.528 108.800 -0.087 0.000 4.178 28 G HA2 0.683 4.645 3.960 0.003 0.000 0.287 28 G HA3 0.683 4.645 3.960 0.003 0.000 0.287 28 G C 0.784 175.610 174.900 -0.124 0.000 1.293 28 G CA 0.854 45.894 45.100 -0.101 0.000 1.393 28 G HN 1.239 nan 8.290 nan 0.000 0.623 29 G N -0.047 108.683 108.800 -0.116 0.000 2.857 29 G HA2 0.408 4.369 3.960 0.003 0.000 0.217 29 G HA3 0.408 4.369 3.960 0.003 0.000 0.217 29 G C 1.188 175.996 174.900 -0.153 0.000 1.357 29 G CA 0.285 45.302 45.100 -0.140 0.000 1.033 29 G HN 0.170 nan 8.290 nan 0.000 0.571 30 S N -0.255 115.367 115.700 -0.129 0.000 2.359 30 S HA -0.147 4.325 4.470 0.003 0.000 0.223 30 S C 2.433 176.995 174.600 -0.062 0.000 1.039 30 S CA 1.886 60.019 58.200 -0.110 0.000 1.042 30 S CB -0.721 62.441 63.200 -0.063 0.000 0.915 30 S HN 0.787 nan 8.310 nan 0.000 0.439 31 G N 0.716 109.498 108.800 -0.030 0.000 2.403 31 G HA2 0.087 4.048 3.960 0.003 0.000 0.216 31 G HA3 0.087 4.048 3.960 0.003 0.000 0.216 31 G C 1.416 176.314 174.900 -0.003 0.000 1.154 31 G CA 0.793 45.893 45.100 0.001 0.000 0.784 31 G HN 0.564 nan 8.290 nan 0.000 0.538 32 G N 1.025 109.807 108.800 -0.030 0.000 2.404 32 G HA2 -0.121 3.841 3.960 0.003 0.000 0.215 32 G HA3 -0.121 3.841 3.960 0.003 0.000 0.215 32 G C 1.809 176.675 174.900 -0.056 0.000 1.174 32 G CA 0.710 45.779 45.100 -0.052 0.000 0.780 32 G HN 0.399 nan 8.290 nan 0.000 0.537 33 L N 0.764 121.945 121.223 -0.070 0.000 2.012 33 L HA -0.100 4.242 4.340 0.003 0.000 0.210 33 L C 3.431 180.297 176.870 -0.008 0.000 1.073 33 L CA 1.209 56.017 54.840 -0.053 0.000 0.748 33 L CB -0.512 41.490 42.059 -0.095 0.000 0.891 33 L HN 0.302 nan 8.230 nan 0.000 0.431 34 A N -1.027 121.792 122.820 -0.002 0.000 1.902 34 A HA -0.233 4.088 4.320 0.003 0.000 0.217 34 A C 2.549 180.159 177.584 0.044 0.000 1.181 34 A CA 2.138 54.191 52.037 0.027 0.000 0.623 34 A CB -0.704 18.311 19.000 0.025 0.000 0.818 34 A HN 0.358 nan 8.150 nan 0.000 0.443 35 S N -0.690 115.048 115.700 0.064 0.000 2.368 35 S HA -0.005 4.467 4.470 0.003 0.000 0.224 35 S C 2.206 176.922 174.600 0.193 0.000 1.029 35 S CA 1.458 59.741 58.200 0.138 0.000 0.988 35 S CB -0.449 62.871 63.200 0.200 0.000 0.838 35 S HN 0.784 nan 8.310 nan 0.000 0.462 36 A N 2.223 125.114 122.820 0.118 0.000 1.877 36 A HA -0.064 4.258 4.320 0.003 0.000 0.216 36 A C 2.249 179.858 177.584 0.042 0.000 1.186 36 A CA 1.112 53.205 52.037 0.093 0.000 0.620 36 A CB -0.572 18.413 19.000 -0.026 0.000 0.822 36 A HN 0.474 nan 8.150 nan 0.000 0.443 37 R N -0.919 119.592 120.500 0.019 0.000 2.091 37 R HA -0.140 4.202 4.340 0.003 0.000 0.238 37 R C 2.351 178.638 176.300 -0.022 0.000 1.136 37 R CA 1.706 57.805 56.100 -0.003 0.000 0.959 37 R CB -0.454 29.852 30.300 0.011 0.000 0.856 37 R HN 0.455 nan 8.270 nan 0.000 0.437 38 R N 1.009 121.497 120.500 -0.020 0.000 2.075 38 R HA 0.006 4.347 4.340 0.003 0.000 0.232 38 R C 2.059 178.273 176.300 -0.144 0.000 1.126 38 R CA 1.660 57.713 56.100 -0.079 0.000 0.963 38 R CB -0.707 29.539 30.300 -0.089 0.000 0.858 38 R HN 0.222 nan 8.270 nan 0.000 0.435 39 A N 0.326 123.076 122.820 -0.117 0.000 1.908 39 A HA -0.099 4.223 4.320 0.003 0.000 0.218 39 A C 2.366 179.778 177.584 -0.286 0.000 1.181 39 A CA 1.937 53.812 52.037 -0.269 0.000 0.627 39 A CB -1.127 17.656 19.000 -0.361 0.000 0.818 39 A HN 0.464 nan 8.150 nan 0.000 0.445 40 A N -0.456 122.271 122.820 -0.155 0.000 1.933 40 A HA -0.201 4.120 4.320 0.003 0.000 0.218 40 A C 2.026 179.561 177.584 -0.082 0.000 1.175 40 A CA 1.783 53.756 52.037 -0.106 0.000 0.628 40 A CB -0.557 18.412 19.000 -0.051 0.000 0.814 40 A HN 0.693 nan 8.150 nan 0.000 0.444 41 E N -0.082 120.071 120.200 -0.078 0.000 2.160 41 E HA -0.163 4.189 4.350 0.003 0.000 0.195 41 E C 1.363 177.932 176.600 -0.051 0.000 0.991 41 E CA 1.031 57.401 56.400 -0.051 0.000 0.810 41 E CB -0.168 29.506 29.700 -0.044 0.000 0.742 41 E HN 0.654 nan 8.360 nan 0.000 0.466 42 L N -0.700 120.467 121.223 -0.094 0.000 2.591 42 L HA 0.195 4.537 4.340 0.003 0.000 0.228 42 L C 1.439 178.274 176.870 -0.058 0.000 1.133 42 L CA 0.464 55.262 54.840 -0.070 0.000 0.880 42 L CB 0.390 42.393 42.059 -0.094 0.000 1.033 42 L HN 0.396 nan 8.230 nan 0.000 0.450 43 G N -0.387 108.368 108.800 -0.075 0.000 2.176 43 G HA2 -0.245 3.717 3.960 0.003 0.000 0.232 43 G HA3 -0.245 3.717 3.960 0.003 0.000 0.232 43 G C 0.452 175.293 174.900 -0.100 0.000 0.986 43 G CA -0.143 44.928 45.100 -0.049 0.000 0.643 43 G HN 0.464 nan 8.290 nan 0.000 0.522 44 A N 0.312 122.976 122.820 -0.259 0.000 2.498 44 A HA 0.590 4.912 4.320 0.003 0.000 0.239 44 A C 0.818 178.313 177.584 -0.147 0.000 1.068 44 A CA 0.385 52.197 52.037 -0.375 0.000 0.766 44 A CB 0.121 18.519 19.000 -1.003 0.000 1.003 44 A HN 0.524 nan 8.150 nan 0.000 0.497 45 R N 1.393 121.872 120.500 -0.034 0.000 2.325 45 R HA 0.433 4.774 4.340 0.003 0.000 0.323 45 R C 0.013 176.435 176.300 0.203 0.000 1.177 45 R CA 0.354 56.505 56.100 0.085 0.000 1.018 45 R CB 0.536 30.884 30.300 0.080 0.000 1.070 45 R HN 0.746 nan 8.270 nan 0.000 0.495 46 A N 1.818 124.734 122.820 0.160 0.000 2.356 46 A HA 0.895 5.216 4.320 0.003 0.000 0.323 46 A C -0.943 176.648 177.584 0.012 0.000 1.119 46 A CA -0.659 51.443 52.037 0.108 0.000 0.790 46 A CB 1.778 20.809 19.000 0.052 0.000 1.273 46 A HN 0.645 nan 8.150 nan 0.000 0.452 47 A N 0.460 123.160 122.820 -0.201 0.000 2.515 47 A HA 0.687 5.009 4.320 0.003 0.000 0.298 47 A C -1.315 176.075 177.584 -0.323 0.000 1.059 47 A CA -0.423 51.409 52.037 -0.341 0.000 0.698 47 A CB 1.480 20.039 19.000 -0.735 0.000 1.289 47 A HN 1.240 nan 8.150 nan 0.000 0.404 48 V N 2.037 121.793 119.914 -0.262 0.000 2.417 48 V HA 0.464 4.586 4.120 0.003 0.000 0.291 48 V C -0.294 175.650 176.094 -0.250 0.000 1.024 48 V CA -0.530 61.629 62.300 -0.236 0.000 0.861 48 V CB 1.630 33.358 31.823 -0.159 0.000 0.985 48 V HN 0.687 nan 8.190 nan 0.000 0.436 49 V N 3.954 123.711 119.914 -0.262 0.000 2.407 49 V HA 0.617 4.738 4.120 0.003 0.000 0.278 49 V C -0.246 175.748 176.094 -0.165 0.000 1.037 49 V CA -0.426 61.726 62.300 -0.246 0.000 0.900 49 V CB 1.483 33.128 31.823 -0.296 0.000 0.983 49 V HN 0.952 nan 8.190 nan 0.000 0.459 50 E N 2.809 122.935 120.200 -0.124 0.000 2.274 50 E HA 0.388 4.740 4.350 0.003 0.000 0.269 50 E C 0.493 177.068 176.600 -0.042 0.000 0.891 50 E CA -0.044 56.316 56.400 -0.066 0.000 0.784 50 E CB 2.075 31.742 29.700 -0.055 0.000 1.225 50 E HN 0.573 nan 8.360 nan 0.000 0.412 51 S N 2.970 118.681 115.700 0.018 0.000 2.470 51 S HA 0.091 4.562 4.470 0.003 0.000 0.225 51 S C 0.594 175.056 174.600 -0.230 0.000 1.006 51 S CA 0.740 58.926 58.200 -0.022 0.000 0.934 51 S CB -0.130 63.160 63.200 0.150 0.000 0.778 51 S HN 0.613 nan 8.310 nan 0.000 0.517 52 H N 0.658 119.723 119.070 -0.007 0.000 4.854 52 H HA 0.572 5.128 4.556 0.001 0.000 0.255 52 H C -0.589 174.729 175.328 -0.016 0.000 1.334 52 H CA -0.647 55.398 56.048 -0.005 0.000 0.630 52 H CB 0.348 30.111 29.762 0.001 0.000 1.417 52 H HN 0.013 nan 8.280 nan 0.000 0.481 53 K N 1.525 122.005 120.400 0.133 0.000 2.206 53 K HA 0.350 4.671 4.320 0.003 0.000 0.264 53 K C -0.739 175.864 176.600 0.006 0.000 0.967 53 K CA -0.385 55.931 56.287 0.048 0.000 0.844 53 K CB 1.592 34.114 32.500 0.037 0.000 1.099 53 K HN 0.173 nan 8.250 nan 0.000 0.441 54 L N 1.363 122.582 121.223 -0.006 0.000 2.514 54 L HA -0.062 4.279 4.340 0.003 0.000 0.280 54 L C 1.444 178.257 176.870 -0.096 0.000 1.223 54 L CA 1.038 55.852 54.840 -0.043 0.000 0.864 54 L CB 0.005 42.066 42.059 0.004 0.000 1.118 54 L HN 1.114 nan 8.230 nan 0.000 0.494 55 G N 1.063 109.717 108.800 -0.244 0.000 2.234 55 G HA2 -0.074 3.887 3.960 0.003 0.000 0.235 55 G HA3 -0.074 3.887 3.960 0.003 0.000 0.235 55 G C 0.690 175.451 174.900 -0.231 0.000 0.997 55 G CA -0.093 44.781 45.100 -0.376 0.000 0.623 55 G HN 1.495 nan 8.290 nan 0.000 0.514 56 G N -0.939 107.778 108.800 -0.139 0.000 2.575 56 G HA2 -0.082 3.880 3.960 0.003 0.000 0.267 56 G HA3 -0.082 3.880 3.960 0.003 0.000 0.267 56 G C 1.004 175.854 174.900 -0.083 0.000 1.264 56 G CA 1.289 46.332 45.100 -0.095 0.000 0.935 56 G HN 1.313 nan 8.290 nan 0.000 0.568 57 T N -0.155 114.364 114.554 -0.059 0.000 2.708 57 T HA -0.192 4.159 4.350 0.003 0.000 0.266 57 T C 2.542 177.206 174.700 -0.060 0.000 1.037 57 T CA 2.867 64.942 62.100 -0.040 0.000 1.146 57 T CB -0.749 68.118 68.868 -0.002 0.000 0.865 57 T HN 1.251 nan 8.240 nan 0.000 0.435 58 C N 1.421 120.685 119.300 -0.060 0.000 2.413 58 C HA -0.070 4.391 4.460 0.003 0.000 0.277 58 C C 2.687 177.614 174.990 -0.105 0.000 1.228 58 C CA 0.725 59.706 59.018 -0.060 0.000 1.731 58 C CB -1.282 26.427 27.740 -0.052 0.000 2.042 58 C HN 0.367 nan 8.230 nan 0.000 0.468 59 V N 1.965 121.804 119.914 -0.125 0.000 2.358 59 V HA -0.130 3.992 4.120 0.003 0.000 0.246 59 V C 2.418 178.414 176.094 -0.164 0.000 1.047 59 V CA 2.390 64.609 62.300 -0.134 0.000 1.035 59 V CB -0.719 31.035 31.823 -0.114 0.000 0.658 59 V HN 0.620 nan 8.190 nan 0.000 0.452 60 N N 0.096 118.707 118.700 -0.150 0.000 2.387 60 N HA 0.014 4.756 4.740 0.003 0.000 0.176 60 N C 1.072 176.440 175.510 -0.238 0.000 1.022 60 N CA 1.629 54.591 53.050 -0.146 0.000 0.883 60 N CB 1.098 39.538 38.487 -0.077 0.000 1.019 60 N HN 0.538 nan 8.380 nan 0.000 0.435 61 V N -3.405 116.358 119.914 -0.252 0.000 3.047 61 V HA 0.666 4.788 4.120 0.003 0.000 0.374 61 V C 0.323 176.281 176.094 -0.226 0.000 1.399 61 V CA -0.259 61.856 62.300 -0.309 0.000 1.251 61 V CB 0.560 32.415 31.823 0.054 0.000 1.228 61 V HN 0.128 nan 8.190 nan 0.000 0.589 62 G N -0.296 108.334 108.800 -0.284 0.000 3.198 62 G HA2 0.262 4.224 3.960 0.003 0.000 0.166 62 G HA3 0.262 4.224 3.960 0.003 0.000 0.166 62 G C 0.838 175.715 174.900 -0.039 0.000 1.134 62 G CA 0.604 45.677 45.100 -0.045 0.000 0.941 62 G HN 0.233 nan 8.290 nan 0.000 0.639 63 C N -0.010 119.300 119.300 0.016 0.000 2.363 63 C HA -0.094 4.367 4.460 0.003 0.000 0.274 63 C C 2.876 177.854 174.990 -0.021 0.000 1.183 63 C CA 1.147 60.182 59.018 0.028 0.000 1.771 63 C CB -1.493 26.266 27.740 0.031 0.000 2.059 63 C HN 0.282 nan 8.230 nan 0.000 0.455 64 V N 2.610 122.488 119.914 -0.059 0.000 2.255 64 V HA -0.110 4.012 4.120 0.003 0.000 0.243 64 V C 0.266 176.349 176.094 -0.019 0.000 1.038 64 V CA 2.576 64.852 62.300 -0.040 0.000 1.008 64 V CB -1.911 29.851 31.823 -0.102 0.000 0.645 64 V HN 0.397 nan 8.190 nan 0.000 0.449 65 P HA -0.178 nan 4.420 nan 0.000 0.221 65 P C 1.582 178.991 177.300 0.182 0.000 1.150 65 P CA 1.359 64.412 63.100 -0.079 0.000 0.800 65 P CB -0.079 31.353 31.700 -0.446 0.000 0.787 66 K N 1.386 121.904 120.400 0.197 0.000 2.032 66 K HA -0.192 4.129 4.320 0.003 0.000 0.209 66 K C 2.104 178.820 176.600 0.194 0.000 1.048 66 K CA 1.822 58.339 56.287 0.383 0.000 0.927 66 K CB -0.485 32.198 32.500 0.306 0.000 0.712 66 K HN -0.103 nan 8.250 nan 0.000 0.441 67 K N 0.685 121.105 120.400 0.033 0.000 2.097 67 K HA -0.046 4.276 4.320 0.003 0.000 0.206 67 K C 2.002 178.665 176.600 0.105 0.000 1.049 67 K CA 1.127 57.372 56.287 -0.069 0.000 0.933 67 K CB -0.236 32.138 32.500 -0.210 0.000 0.717 67 K HN 0.008 nan 8.250 nan 0.000 0.442 68 V N 0.796 120.785 119.914 0.126 0.000 2.287 68 V HA -0.286 3.836 4.120 0.003 0.000 0.248 68 V C 2.315 178.477 176.094 0.115 0.000 1.053 68 V CA 1.772 64.142 62.300 0.116 0.000 1.027 68 V CB -0.471 31.424 31.823 0.120 0.000 0.646 68 V HN 0.359 nan 8.190 nan 0.000 0.447 69 M N -1.667 118.037 119.600 0.173 0.000 2.229 69 M HA -0.162 4.319 4.480 0.003 0.000 0.264 69 M C 1.956 178.355 176.300 0.166 0.000 1.063 69 M CA 1.445 56.833 55.300 0.147 0.000 1.114 69 M CB -1.307 31.456 32.600 0.272 0.000 1.387 69 M HN 0.632 nan 8.290 nan 0.000 0.420 70 W N 2.485 123.805 121.300 0.033 0.000 2.358 70 W HA -0.173 4.488 4.660 0.002 0.000 0.303 70 W C 1.952 178.484 176.519 0.022 0.000 1.208 70 W CA 1.561 58.928 57.345 0.035 0.000 1.274 70 W CB -0.411 29.014 29.460 -0.058 0.000 1.138 70 W HN 0.252 nan 8.180 nan 0.000 0.515 71 N N -0.360 118.402 118.700 0.103 0.000 2.149 71 N HA -0.161 4.581 4.740 0.003 0.000 0.188 71 N C 1.588 177.040 175.510 -0.097 0.000 1.019 71 N CA 2.358 55.378 53.050 -0.050 0.000 0.857 71 N CB -1.006 37.535 38.487 0.090 0.000 0.997 71 N HN 0.174 nan 8.380 nan 0.000 0.426 72 T N 0.874 115.383 114.554 -0.075 0.000 2.737 72 T HA -0.034 4.318 4.350 0.003 0.000 0.265 72 T C 1.974 176.516 174.700 -0.263 0.000 1.038 72 T CA 1.325 63.346 62.100 -0.131 0.000 1.144 72 T CB -0.350 68.424 68.868 -0.156 0.000 0.866 72 T HN 0.331 nan 8.240 nan 0.000 0.434 73 A N 0.963 123.609 122.820 -0.290 0.000 2.019 73 A HA -0.031 4.290 4.320 0.003 0.000 0.219 73 A C 2.519 179.805 177.584 -0.497 0.000 1.164 73 A CA 1.104 52.923 52.037 -0.364 0.000 0.644 73 A CB -0.900 17.971 19.000 -0.214 0.000 0.805 73 A HN 0.375 nan 8.150 nan 0.000 0.449 74 V N -0.670 118.888 119.914 -0.592 0.000 2.515 74 V HA -0.215 3.907 4.120 0.003 0.000 0.250 74 V C 2.296 177.703 176.094 -1.145 0.000 1.058 74 V CA 1.750 63.531 62.300 -0.864 0.000 1.064 74 V CB -1.032 30.212 31.823 -0.965 0.000 0.675 74 V HN 0.655 nan 8.190 nan 0.000 0.461 75 H N 0.503 119.146 119.070 -0.712 0.000 2.421 75 H HA -0.122 4.436 4.556 0.003 0.000 0.298 75 H C 2.592 177.651 175.328 -0.449 0.000 1.087 75 H CA 1.834 57.604 56.048 -0.463 0.000 1.330 75 H CB 0.019 29.687 29.762 -0.157 0.000 1.388 75 H HN 0.629 nan 8.280 nan 0.000 0.526 76 S N 0.436 115.895 115.700 -0.403 0.000 2.382 76 S HA -0.140 4.332 4.470 0.003 0.000 0.228 76 S C 1.912 176.085 174.600 -0.712 0.000 1.027 76 S CA 1.227 59.137 58.200 -0.482 0.000 0.991 76 S CB -0.092 62.855 63.200 -0.422 0.000 0.823 76 S HN 0.427 nan 8.310 nan 0.000 0.469 77 E N 0.525 120.376 120.200 -0.582 0.000 2.107 77 E HA 0.045 4.397 4.350 0.003 0.000 0.191 77 E C 1.635 178.121 176.600 -0.189 0.000 0.982 77 E CA 1.210 57.390 56.400 -0.367 0.000 0.809 77 E CB -0.317 29.208 29.700 -0.290 0.000 0.756 77 E HN 0.728 nan 8.360 nan 0.000 0.459 78 F N 0.595 120.420 119.950 -0.208 0.000 2.120 78 F HA -0.284 4.245 4.527 0.003 0.000 0.300 78 F C 2.624 178.358 175.800 -0.110 0.000 1.095 78 F CA 0.734 58.635 58.000 -0.165 0.000 1.249 78 F CB -0.298 38.499 39.000 -0.338 0.000 0.995 78 F HN 0.086 nan 8.300 nan 0.000 0.480 79 M N -0.050 119.526 119.600 -0.041 0.000 2.159 79 M HA -0.223 4.259 4.480 0.003 0.000 0.263 79 M C 2.242 178.603 176.300 0.101 0.000 1.063 79 M CA 1.767 57.048 55.300 -0.032 0.000 1.110 79 M CB -0.389 32.144 32.600 -0.112 0.000 1.374 79 M HN 0.112 nan 8.290 nan 0.000 0.411 80 H N 0.413 119.546 119.070 0.104 0.000 2.387 80 H HA -0.090 4.468 4.556 0.003 0.000 0.299 80 H C 1.184 176.625 175.328 0.189 0.000 1.090 80 H CA 1.584 57.705 56.048 0.121 0.000 1.332 80 H CB -0.651 29.159 29.762 0.079 0.000 1.386 80 H HN 0.501 nan 8.280 nan 0.000 0.516 81 D N -0.761 119.866 120.400 0.377 0.000 2.339 81 D HA -0.039 4.603 4.640 0.003 0.000 0.217 81 D C 1.824 178.384 176.300 0.434 0.000 1.050 81 D CA 0.211 54.452 54.000 0.402 0.000 0.856 81 D CB -0.173 40.939 40.800 0.521 0.000 0.922 81 D HN 0.389 nan 8.370 nan 0.000 0.518 82 H N 1.465 120.694 119.070 0.264 0.000 2.353 82 H HA 0.004 4.562 4.556 0.003 0.000 0.300 82 H C 1.991 177.517 175.328 0.329 0.000 1.090 82 H CA 1.861 58.061 56.048 0.255 0.000 1.327 82 H CB 0.084 29.922 29.762 0.127 0.000 1.383 82 H HN 0.093 nan 8.280 nan 0.000 0.508 83 A N 0.237 123.213 122.820 0.260 0.000 1.930 83 A HA -0.153 4.169 4.320 0.003 0.000 0.217 83 A C 2.035 179.683 177.584 0.105 0.000 1.175 83 A CA 1.748 53.878 52.037 0.156 0.000 0.627 83 A CB -0.328 18.750 19.000 0.131 0.000 0.815 83 A HN 0.440 nan 8.150 nan 0.000 0.443 84 D N -1.440 119.030 120.400 0.117 0.000 2.178 84 D HA -0.127 4.515 4.640 0.003 0.000 0.201 84 D C 0.847 177.098 176.300 -0.081 0.000 0.980 84 D CA 1.150 55.155 54.000 0.007 0.000 0.842 84 D CB -0.281 40.513 40.800 -0.010 0.000 0.948 84 D HN 0.639 nan 8.370 nan 0.000 0.472 85 Y N -0.414 119.923 120.300 0.062 0.000 2.462 85 Y HA 0.267 4.819 4.550 0.003 0.000 0.293 85 Y C 1.611 177.497 175.900 -0.023 0.000 1.195 85 Y CA 0.290 58.432 58.100 0.071 0.000 1.276 85 Y CB 0.572 39.144 38.460 0.188 0.000 1.082 85 Y HN 0.044 nan 8.280 nan 0.000 0.514 86 G N -0.953 107.834 108.800 -0.022 0.000 2.159 86 G HA2 -0.259 3.703 3.960 0.003 0.000 0.227 86 G HA3 -0.259 3.703 3.960 0.003 0.000 0.227 86 G C -0.188 174.455 174.900 -0.428 0.000 0.986 86 G CA -0.456 44.491 45.100 -0.254 0.000 0.651 86 G HN 0.211 nan 8.290 nan 0.000 0.523 87 F N 0.369 120.210 119.950 -0.181 0.000 2.523 87 F HA 0.629 5.158 4.527 0.003 0.000 0.329 87 F C -1.961 173.800 175.800 -0.066 0.000 1.061 87 F CA -2.758 55.122 58.000 -0.200 0.000 0.967 87 F CB 1.361 40.002 39.000 -0.598 0.000 1.218 87 F HN -0.222 nan 8.300 nan 0.000 0.480 88 P HA 0.013 nan 4.420 nan 0.000 0.262 88 P C -0.382 177.030 177.300 0.186 0.000 1.182 88 P CA 0.247 63.436 63.100 0.148 0.000 0.761 88 P CB 0.465 32.250 31.700 0.141 0.000 0.795 89 S N 1.625 117.411 115.700 0.144 0.000 2.564 89 S HA 0.129 4.600 4.470 0.003 0.000 0.263 89 S C 0.278 174.976 174.600 0.164 0.000 1.378 89 S CA 0.190 58.483 58.200 0.156 0.000 0.996 89 S CB -0.101 63.167 63.200 0.113 0.000 0.881 89 S HN 0.740 nan 8.310 nan 0.000 0.555 90 C N 1.591 120.989 119.300 0.164 0.000 3.199 90 C HA 0.563 5.025 4.460 0.003 0.000 0.392 90 C C -1.350 173.718 174.990 0.131 0.000 1.050 90 C CA -0.491 58.609 59.018 0.137 0.000 1.222 90 C CB 0.932 28.759 27.740 0.145 0.000 1.595 90 C HN 1.008 nan 8.230 nan 0.000 0.560 91 E N 3.486 123.750 120.200 0.107 0.000 3.079 91 E HA 0.395 4.747 4.350 0.003 0.000 0.329 91 E C -0.014 176.640 176.600 0.090 0.000 1.166 91 E CA 0.042 56.510 56.400 0.113 0.000 0.876 91 E CB 0.665 30.434 29.700 0.116 0.000 1.479 91 E HN 1.037 nan 8.360 nan 0.000 0.384 92 G N 0.690 109.540 108.800 0.082 0.000 2.522 92 G HA2 0.574 4.535 3.960 0.003 0.000 0.304 92 G HA3 0.574 4.535 3.960 0.003 0.000 0.304 92 G C -0.405 174.550 174.900 0.092 0.000 1.210 92 G CA -0.280 44.864 45.100 0.074 0.000 0.960 92 G HN 0.348 nan 8.290 nan 0.000 0.497 93 K N -0.214 120.237 120.400 0.084 0.000 2.258 93 K HA 0.514 4.835 4.320 0.003 0.000 0.284 93 K C -0.407 176.278 176.600 0.141 0.000 1.051 93 K CA -0.841 55.510 56.287 0.107 0.000 0.923 93 K CB 0.589 33.129 32.500 0.066 0.000 1.046 93 K HN 0.541 nan 8.250 nan 0.000 0.474 94 F N 2.720 122.689 119.950 0.032 0.000 2.506 94 F HA 0.250 4.778 4.527 0.002 0.000 0.351 94 F C 0.527 176.362 175.800 0.058 0.000 1.136 94 F CA -0.378 57.642 58.000 0.033 0.000 1.298 94 F CB 1.015 40.045 39.000 0.049 0.000 1.145 94 F HN 0.634 nan 8.300 nan 0.000 0.593 95 N N 6.957 125.210 118.700 -0.746 0.000 2.707 95 N HA -0.010 4.732 4.740 0.003 0.000 0.235 95 N C 0.782 175.728 175.510 -0.939 0.000 1.028 95 N CA -0.449 52.241 53.050 -0.601 0.000 0.906 95 N CB -0.056 38.247 38.487 -0.306 0.000 1.131 95 N HN 0.916 nan 8.380 nan 0.000 0.509 96 W N 4.109 124.835 121.300 -0.957 0.000 2.321 96 W HA -0.163 4.499 4.660 0.003 0.000 0.306 96 W C 1.375 177.718 176.519 -0.293 0.000 1.217 96 W CA 1.253 58.266 57.345 -0.552 0.000 1.257 96 W CB 0.129 29.502 29.460 -0.146 0.000 1.145 96 W HN 0.586 nan 8.180 nan 0.000 0.509 97 R N -0.044 120.475 120.500 0.032 0.000 2.120 97 R HA -0.156 4.186 4.340 0.003 0.000 0.234 97 R C 2.229 178.481 176.300 -0.080 0.000 1.123 97 R CA 1.724 57.840 56.100 0.027 0.000 0.975 97 R CB -0.502 29.806 30.300 0.014 0.000 0.866 97 R HN 0.030 nan 8.270 nan 0.000 0.446 98 V N 0.734 120.554 119.914 -0.158 0.000 2.255 98 V HA -0.266 3.856 4.120 0.003 0.000 0.247 98 V C 2.101 178.120 176.094 -0.126 0.000 1.051 98 V CA 1.806 64.024 62.300 -0.137 0.000 1.018 98 V CB -0.390 31.336 31.823 -0.161 0.000 0.641 98 V HN 0.325 nan 8.190 nan 0.000 0.445 99 I N -0.156 120.309 120.570 -0.176 0.000 2.439 99 I HA -0.135 4.037 4.170 0.003 0.000 0.251 99 I C 2.390 178.422 176.117 -0.142 0.000 1.139 99 I CA 1.589 62.810 61.300 -0.131 0.000 1.438 99 I CB -0.555 37.404 38.000 -0.069 0.000 1.085 99 I HN 0.248 nan 8.210 nan 0.000 0.427 100 K N 0.415 120.696 120.400 -0.199 0.000 2.032 100 K HA -0.268 4.054 4.320 0.003 0.000 0.209 100 K C 2.207 178.792 176.600 -0.026 0.000 1.048 100 K CA 1.810 58.029 56.287 -0.114 0.000 0.927 100 K CB -0.370 32.114 32.500 -0.026 0.000 0.712 100 K HN 0.375 nan 8.250 nan 0.000 0.441 101 E N 1.256 121.442 120.200 -0.024 0.000 2.077 101 E HA -0.224 4.128 4.350 0.003 0.000 0.193 101 E C 1.621 178.222 176.600 0.001 0.000 0.989 101 E CA 1.546 57.944 56.400 -0.004 0.000 0.800 101 E CB 0.070 29.763 29.700 -0.012 0.000 0.746 101 E HN 0.359 nan 8.360 nan 0.000 0.452 102 K N 0.210 120.601 120.400 -0.014 0.000 2.097 102 K HA -0.106 4.215 4.320 0.003 0.000 0.205 102 K C 2.519 179.142 176.600 0.038 0.000 1.050 102 K CA 0.957 57.242 56.287 -0.002 0.000 0.938 102 K CB -0.171 32.310 32.500 -0.031 0.000 0.718 102 K HN 0.022 nan 8.250 nan 0.000 0.442 103 R N 1.351 121.872 120.500 0.035 0.000 2.073 103 R HA -0.169 4.173 4.340 0.003 0.000 0.234 103 R C 1.436 177.792 176.300 0.094 0.000 1.134 103 R CA 1.973 58.124 56.100 0.086 0.000 0.952 103 R CB -0.106 30.226 30.300 0.055 0.000 0.850 103 R HN 0.123 nan 8.270 nan 0.000 0.433 104 D N 0.213 120.647 120.400 0.057 0.000 2.123 104 D HA -0.148 4.494 4.640 0.003 0.000 0.196 104 D C 1.696 178.027 176.300 0.051 0.000 0.992 104 D CA 1.530 55.558 54.000 0.047 0.000 0.833 104 D CB -0.264 40.561 40.800 0.042 0.000 0.954 104 D HN 0.394 nan 8.370 nan 0.000 0.455 105 A N 0.123 122.980 122.820 0.062 0.000 1.902 105 A HA -0.220 4.102 4.320 0.003 0.000 0.217 105 A C 2.179 179.833 177.584 0.117 0.000 1.181 105 A CA 1.148 53.225 52.037 0.067 0.000 0.623 105 A CB -0.940 18.091 19.000 0.051 0.000 0.818 105 A HN 0.292 nan 8.150 nan 0.000 0.443 106 Y N 0.861 121.154 120.300 -0.011 0.000 2.145 106 Y HA -0.165 4.387 4.550 0.003 0.000 0.286 106 Y C 2.375 178.273 175.900 -0.005 0.000 1.145 106 Y CA 1.527 59.620 58.100 -0.010 0.000 1.148 106 Y CB -0.691 37.762 38.460 -0.012 0.000 0.981 106 Y HN 0.063 nan 8.280 nan 0.000 0.507 107 V N -0.552 119.318 119.914 -0.074 0.000 2.332 107 V HA -0.328 3.793 4.120 0.003 0.000 0.248 107 V C 2.506 178.549 176.094 -0.085 0.000 1.055 107 V CA 2.203 64.407 62.300 -0.160 0.000 1.038 107 V CB -1.058 30.706 31.823 -0.098 0.000 0.651 107 V HN 0.394 nan 8.190 nan 0.000 0.450 108 S N -0.641 115.045 115.700 -0.023 0.000 2.368 108 S HA -0.195 4.277 4.470 0.003 0.000 0.225 108 S C 2.074 176.669 174.600 -0.008 0.000 1.030 108 S CA 1.440 59.637 58.200 -0.005 0.000 0.999 108 S CB -0.318 62.890 63.200 0.012 0.000 0.844 108 S HN 0.542 nan 8.310 nan 0.000 0.459 109 R N 0.677 121.178 120.500 0.002 0.000 2.081 109 R HA -0.010 4.332 4.340 0.003 0.000 0.235 109 R C 2.218 178.490 176.300 -0.047 0.000 1.131 109 R CA 1.124 57.227 56.100 0.005 0.000 0.960 109 R CB -0.562 29.781 30.300 0.072 0.000 0.856 109 R HN 0.373 nan 8.270 nan 0.000 0.436 110 L N 0.499 121.659 121.223 -0.105 0.000 2.093 110 L HA -0.163 4.179 4.340 0.003 0.000 0.208 110 L C 1.790 178.672 176.870 0.020 0.000 1.085 110 L CA 1.422 56.194 54.840 -0.113 0.000 0.755 110 L CB -0.567 41.390 42.059 -0.170 0.000 0.904 110 L HN 0.280 nan 8.230 nan 0.000 0.435 111 N N 0.167 118.887 118.700 0.033 0.000 2.094 111 N HA -0.215 4.526 4.740 0.003 0.000 0.191 111 N C 1.927 177.468 175.510 0.051 0.000 1.023 111 N CA 1.256 54.349 53.050 0.072 0.000 0.857 111 N CB -0.228 38.276 38.487 0.028 0.000 1.013 111 N HN 0.336 nan 8.380 nan 0.000 0.426 112 A N 0.952 123.775 122.820 0.005 0.000 1.930 112 A HA -0.074 4.248 4.320 0.003 0.000 0.217 112 A C 2.139 179.700 177.584 -0.038 0.000 1.175 112 A CA 0.956 52.987 52.037 -0.009 0.000 0.627 112 A CB -0.561 18.431 19.000 -0.014 0.000 0.815 112 A HN 0.198 nan 8.150 nan 0.000 0.443 113 I N -1.972 118.540 120.570 -0.096 0.000 2.179 113 I HA -0.283 3.888 4.170 0.003 0.000 0.242 113 I C 2.350 178.342 176.117 -0.207 0.000 1.088 113 I CA 1.502 62.686 61.300 -0.194 0.000 1.357 113 I CB -0.404 37.410 38.000 -0.311 0.000 1.051 113 I HN 0.424 nan 8.210 nan 0.000 0.409 114 Y N 0.370 120.645 120.300 -0.043 0.000 2.242 114 Y HA -0.280 4.272 4.550 0.003 0.000 0.291 114 Y C 2.782 178.657 175.900 -0.041 0.000 1.137 114 Y CA 1.360 59.434 58.100 -0.043 0.000 1.181 114 Y CB -0.291 38.140 38.460 -0.049 0.000 0.989 114 Y HN 0.223 nan 8.280 nan 0.000 0.527 115 Q N 0.772 120.628 119.800 0.094 0.000 2.061 115 Q HA -0.265 4.077 4.340 0.003 0.000 0.204 115 Q C 2.146 178.153 176.000 0.011 0.000 0.984 115 Q CA 1.779 57.606 55.803 0.040 0.000 0.846 115 Q CB -0.332 28.420 28.738 0.023 0.000 0.902 115 Q HN 0.521 nan 8.270 nan 0.000 0.421 116 N N -0.244 118.449 118.700 -0.011 0.000 2.244 116 N HA -0.158 4.584 4.740 0.003 0.000 0.183 116 N C 1.258 176.744 175.510 -0.040 0.000 1.016 116 N CA 1.217 54.250 53.050 -0.029 0.000 0.866 116 N CB -0.101 38.361 38.487 -0.042 0.000 0.980 116 N HN 0.392 nan 8.380 nan 0.000 0.430 117 N N 0.522 119.201 118.700 -0.036 0.000 2.120 117 N HA -0.115 4.626 4.740 0.003 0.000 0.188 117 N C 1.878 177.368 175.510 -0.032 0.000 1.024 117 N CA 0.793 53.824 53.050 -0.033 0.000 0.852 117 N CB -0.003 38.485 38.487 0.001 0.000 1.003 117 N HN 0.222 nan 8.380 nan 0.000 0.424 118 L N 0.516 121.735 121.223 -0.008 0.000 2.046 118 L HA -0.143 4.199 4.340 0.003 0.000 0.208 118 L C 2.314 179.155 176.870 -0.049 0.000 1.077 118 L CA 1.098 55.923 54.840 -0.024 0.000 0.747 118 L CB -0.785 41.268 42.059 -0.010 0.000 0.896 118 L HN 0.228 nan 8.230 nan 0.000 0.432 119 T N -0.422 114.109 114.554 -0.038 0.000 2.746 119 T HA -0.189 4.163 4.350 0.003 0.000 0.267 119 T C 1.907 176.539 174.700 -0.113 0.000 1.039 119 T CA 1.245 63.326 62.100 -0.033 0.000 1.142 119 T CB -0.089 68.774 68.868 -0.008 0.000 0.866 119 T HN 0.274 nan 8.240 nan 0.000 0.444 120 K N 1.013 121.325 120.400 -0.148 0.000 2.148 120 K HA 0.045 4.367 4.320 0.003 0.000 0.204 120 K C 2.304 178.604 176.600 -0.499 0.000 1.050 120 K CA 1.013 57.157 56.287 -0.239 0.000 0.942 120 K CB -0.021 32.398 32.500 -0.135 0.000 0.724 120 K HN 0.138 nan 8.250 nan 0.000 0.446 121 S N -0.170 115.317 115.700 -0.356 0.000 2.603 121 S HA 0.013 4.484 4.470 0.003 0.000 0.220 121 S C -0.495 173.906 174.600 -0.332 0.000 0.967 121 S CA 0.028 58.029 58.200 -0.332 0.000 0.920 121 S CB -0.251 62.868 63.200 -0.135 0.000 0.773 121 S HN 0.405 nan 8.310 nan 0.000 0.529 122 H N -0.374 118.698 119.070 0.004 0.000 2.839 122 H HA -0.133 4.425 4.556 0.003 0.000 0.298 122 H C -0.494 174.844 175.328 0.016 0.000 1.224 122 H CA 0.318 56.372 56.048 0.011 0.000 1.144 122 H CB -2.210 27.558 29.762 0.011 0.000 1.372 122 H HN 0.382 nan 8.280 nan 0.000 0.408 123 I N 1.345 121.941 120.570 0.044 0.000 2.325 123 I HA 0.072 4.244 4.170 0.003 0.000 0.291 123 I C 0.948 177.076 176.117 0.018 0.000 1.019 123 I CA -0.145 61.169 61.300 0.024 0.000 1.302 123 I CB 1.101 39.090 38.000 -0.018 0.000 1.401 123 I HN 0.308 nan 8.210 nan 0.000 0.485 124 E N 7.011 127.228 120.200 0.028 0.000 2.384 124 E HA 0.233 4.585 4.350 0.003 0.000 0.266 124 E C -0.870 175.687 176.600 -0.072 0.000 1.012 124 E CA -0.329 56.077 56.400 0.010 0.000 0.901 124 E CB 0.794 30.532 29.700 0.064 0.000 0.967 124 E HN 0.460 nan 8.360 nan 0.000 0.435 125 I N 6.029 126.565 120.570 -0.057 0.000 2.321 125 I HA 0.248 4.420 4.170 0.003 0.000 0.291 125 I C -0.247 175.806 176.117 -0.108 0.000 0.998 125 I CA -0.550 60.699 61.300 -0.087 0.000 1.227 125 I CB 1.019 38.989 38.000 -0.051 0.000 1.368 125 I HN 0.432 nan 8.210 nan 0.000 0.466 126 I N 6.661 127.123 120.570 -0.181 0.000 2.328 126 I HA 0.321 4.493 4.170 0.003 0.000 0.287 126 I C 0.069 176.096 176.117 -0.151 0.000 1.012 126 I CA -0.659 60.517 61.300 -0.208 0.000 1.195 126 I CB 0.564 38.298 38.000 -0.442 0.000 1.350 126 I HN 0.411 nan 8.210 nan 0.000 0.464 127 R N 5.319 125.765 120.500 -0.089 0.000 2.234 127 R HA 0.719 5.060 4.340 0.003 0.000 0.324 127 R C 0.225 176.489 176.300 -0.060 0.000 1.054 127 R CA -0.300 55.758 56.100 -0.070 0.000 0.912 127 R CB 1.182 31.453 30.300 -0.047 0.000 1.030 127 R HN 0.951 nan 8.270 nan 0.000 0.455 128 G N 1.251 110.012 108.800 -0.064 0.000 2.369 128 G HA2 -0.110 3.851 3.960 0.003 0.000 0.295 128 G HA3 -0.110 3.851 3.960 0.003 0.000 0.295 128 G C -1.785 173.109 174.900 -0.011 0.000 1.298 128 G CA -0.893 44.188 45.100 -0.031 0.000 0.940 128 G HN 0.639 nan 8.290 nan 0.000 0.536 129 H N 0.740 119.778 119.070 -0.054 0.000 2.552 129 H HA 0.676 5.236 4.556 0.007 0.000 0.311 129 H C 0.346 175.642 175.328 -0.054 0.000 1.071 129 H CA 0.358 56.383 56.048 -0.039 0.000 1.307 129 H CB 1.039 30.794 29.762 -0.012 0.000 1.416 129 H HN 0.931 nan 8.280 nan 0.000 0.464 130 A N 3.876 126.365 122.820 -0.551 0.000 2.316 130 A HA 0.665 4.987 4.320 0.003 0.000 0.284 130 A C -0.558 176.681 177.584 -0.575 0.000 1.115 130 A CA 0.052 51.812 52.037 -0.461 0.000 0.812 130 A CB 0.467 19.215 19.000 -0.421 0.000 1.064 130 A HN 0.843 nan 8.150 nan 0.000 0.489 131 A N 1.069 123.707 122.820 -0.303 0.000 2.515 131 A HA 0.721 5.042 4.320 0.003 0.000 0.298 131 A C -0.748 176.712 177.584 -0.208 0.000 1.059 131 A CA -0.617 51.309 52.037 -0.186 0.000 0.698 131 A CB 0.575 19.604 19.000 0.048 0.000 1.289 131 A HN 0.667 nan 8.150 nan 0.000 0.404 132 F N 1.221 121.175 119.950 0.007 0.000 2.496 132 F HA 0.405 4.934 4.527 0.003 0.000 0.344 132 F C 1.743 177.559 175.800 0.026 0.000 1.155 132 F CA 1.198 59.208 58.000 0.016 0.000 1.302 132 F CB 1.216 40.222 39.000 0.011 0.000 1.159 132 F HN 0.692 nan 8.300 nan 0.000 0.595 133 T N -2.266 112.420 114.554 0.219 0.000 2.910 133 T HA 0.268 4.620 4.350 0.003 0.000 0.279 133 T C 0.657 175.432 174.700 0.125 0.000 0.989 133 T CA -0.792 61.390 62.100 0.137 0.000 0.968 133 T CB 1.341 70.266 68.868 0.095 0.000 1.135 133 T HN 0.427 nan 8.240 nan 0.000 0.562 134 S N 0.181 115.929 115.700 0.079 0.000 2.603 134 S HA 0.090 4.562 4.470 0.003 0.000 0.220 134 S C 0.230 174.857 174.600 0.045 0.000 0.967 134 S CA -0.302 57.931 58.200 0.054 0.000 0.920 134 S CB -0.455 62.768 63.200 0.038 0.000 0.773 134 S HN 0.656 nan 8.310 nan 0.000 0.529 135 D N 3.003 123.436 120.400 0.055 0.000 2.487 135 D HA 0.017 4.659 4.640 0.003 0.000 0.243 135 D C -1.660 174.662 176.300 0.037 0.000 1.154 135 D CA -0.772 53.255 54.000 0.045 0.000 0.876 135 D CB 0.847 41.679 40.800 0.054 0.000 1.161 135 D HN 0.078 nan 8.370 nan 0.000 0.478 136 P HA -0.136 nan 4.420 nan 0.000 0.216 136 P C 0.420 177.727 177.300 0.013 0.000 1.150 136 P CA 1.108 64.215 63.100 0.011 0.000 0.843 136 P CB 0.287 31.991 31.700 0.007 0.000 0.787 137 K N 0.818 121.233 120.400 0.024 0.000 2.363 137 K HA 0.151 4.473 4.320 0.003 0.000 0.289 137 K C -2.340 174.297 176.600 0.061 0.000 1.063 137 K CA -2.034 54.273 56.287 0.034 0.000 0.967 137 K CB -0.089 32.434 32.500 0.038 0.000 0.987 137 K HN -0.062 nan 8.250 nan 0.000 0.473 138 P HA -0.018 nan 4.420 nan 0.000 0.260 138 P C -1.277 176.132 177.300 0.182 0.000 1.185 138 P CA 0.279 63.456 63.100 0.127 0.000 0.763 138 P CB 0.915 32.678 31.700 0.104 0.000 0.776 139 T N 3.846 118.534 114.554 0.223 0.000 2.916 139 T HA 0.649 5.001 4.350 0.003 0.000 0.305 139 T C -0.049 174.746 174.700 0.159 0.000 1.119 139 T CA -0.530 61.673 62.100 0.172 0.000 1.008 139 T CB 0.850 69.788 68.868 0.118 0.000 1.129 139 T HN 0.262 nan 8.240 nan 0.000 0.480 140 I N -0.742 119.871 120.570 0.071 0.000 2.797 140 I HA 0.855 5.027 4.170 0.003 0.000 0.307 140 I C -0.549 175.602 176.117 0.058 0.000 1.033 140 I CA -0.953 60.313 61.300 -0.055 0.000 1.071 140 I CB 2.246 40.098 38.000 -0.247 0.000 1.255 140 I HN 0.561 nan 8.210 nan 0.000 0.445 141 E N 3.170 123.383 120.200 0.022 0.000 2.222 141 E HA 0.669 5.020 4.350 0.003 0.000 0.267 141 E C -1.887 174.753 176.600 0.066 0.000 0.884 141 E CA -0.808 55.637 56.400 0.074 0.000 0.764 141 E CB 2.499 32.227 29.700 0.046 0.000 1.169 141 E HN 0.602 nan 8.360 nan 0.000 0.413 142 V N 3.129 123.132 119.914 0.148 0.000 2.569 142 V HA 0.196 4.318 4.120 0.003 0.000 0.301 142 V C -0.006 176.160 176.094 0.119 0.000 1.044 142 V CA -0.790 61.572 62.300 0.103 0.000 0.874 142 V CB 1.522 33.378 31.823 0.055 0.000 1.002 142 V HN 0.910 nan 8.190 nan 0.000 0.424 143 S N 3.497 119.243 115.700 0.077 0.000 3.614 143 S HA -0.202 4.270 4.470 0.003 0.000 0.360 143 S C 1.455 176.087 174.600 0.053 0.000 1.023 143 S CA 1.555 59.791 58.200 0.060 0.000 1.114 143 S CB -1.250 61.983 63.200 0.055 0.000 0.907 143 S HN 2.383 nan 8.310 nan 0.000 0.470 144 G N -0.044 108.785 108.800 0.047 0.000 2.184 144 G HA2 -0.336 3.626 3.960 0.003 0.000 0.264 144 G HA3 -0.336 3.626 3.960 0.003 0.000 0.264 144 G C -0.185 174.717 174.900 0.004 0.000 0.975 144 G CA 0.899 46.014 45.100 0.025 0.000 0.642 144 G HN 0.856 nan 8.290 nan 0.000 0.536 145 K N 0.464 120.869 120.400 0.007 0.000 2.207 145 K HA 0.637 4.959 4.320 0.003 0.000 0.255 145 K C -0.028 176.459 176.600 -0.188 0.000 0.941 145 K CA -0.871 55.353 56.287 -0.105 0.000 0.825 145 K CB 0.857 33.283 32.500 -0.123 0.000 1.119 145 K HN 0.111 nan 8.250 nan 0.000 0.430 146 K N 2.730 122.937 120.400 -0.322 0.000 2.164 146 K HA 0.342 4.663 4.320 0.003 0.000 0.258 146 K C -1.347 174.978 176.600 -0.457 0.000 0.951 146 K CA -0.720 55.432 56.287 -0.225 0.000 0.844 146 K CB 1.243 33.691 32.500 -0.087 0.000 1.099 146 K HN 0.421 nan 8.250 nan 0.000 0.435 147 Y N -0.397 119.933 120.300 0.051 0.000 2.457 147 Y HA 0.354 4.905 4.550 0.002 0.000 0.343 147 Y C 0.138 176.101 175.900 0.105 0.000 0.994 147 Y CA -0.835 57.329 58.100 0.106 0.000 1.031 147 Y CB 2.636 41.116 38.460 0.033 0.000 1.246 147 Y HN 0.476 nan 8.280 nan 0.000 0.449 148 T N 1.384 116.122 114.554 0.308 0.000 2.896 148 T HA 0.931 5.283 4.350 0.003 0.000 0.297 148 T C -1.497 173.368 174.700 0.274 0.000 1.108 148 T CA -0.413 61.824 62.100 0.229 0.000 1.004 148 T CB 1.288 70.246 68.868 0.149 0.000 1.159 148 T HN 0.961 nan 8.240 nan 0.000 0.499 149 A N 3.197 126.155 122.820 0.229 0.000 2.612 149 A HA 0.771 5.093 4.320 0.003 0.000 0.293 149 A C -2.469 175.216 177.584 0.168 0.000 1.075 149 A CA -1.128 51.058 52.037 0.248 0.000 0.680 149 A CB 1.163 20.365 19.000 0.336 0.000 1.279 149 A HN 0.562 nan 8.150 nan 0.000 0.411 150 P HA 0.029 nan 4.420 nan 0.000 0.233 150 P C -0.285 176.839 177.300 -0.293 0.000 1.167 150 P CA 1.148 64.168 63.100 -0.132 0.000 0.770 150 P CB -0.000 31.558 31.700 -0.237 0.000 0.837 151 H N -0.044 119.255 119.070 0.382 0.000 2.924 151 H HA 0.437 4.995 4.556 0.003 0.000 0.333 151 H C -0.289 175.392 175.328 0.589 0.000 0.979 151 H CA -0.609 55.790 56.048 0.584 0.000 1.326 151 H CB 1.595 31.703 29.762 0.576 0.000 1.600 151 H HN -0.003 nan 8.280 nan 0.000 0.520 152 I N 4.205 125.121 120.570 0.577 0.000 2.447 152 I HA 0.102 4.274 4.170 0.003 0.000 0.287 152 I C -0.586 175.782 176.117 0.419 0.000 1.023 152 I CA -0.852 60.673 61.300 0.375 0.000 1.083 152 I CB 2.298 40.479 38.000 0.302 0.000 1.245 152 I HN 0.181 nan 8.210 nan 0.000 0.434 153 L N 8.340 129.713 121.223 0.250 0.000 2.275 153 L HA 0.546 4.888 4.340 0.003 0.000 0.288 153 L C -0.554 176.386 176.870 0.116 0.000 1.046 153 L CA 0.007 54.988 54.840 0.236 0.000 0.805 153 L CB 0.934 43.051 42.059 0.096 0.000 1.193 153 L HN 0.392 nan 8.230 nan 0.000 0.426 154 I N 6.014 126.685 120.570 0.168 0.000 2.301 154 I HA 0.437 4.608 4.170 0.003 0.000 0.292 154 I C 0.415 176.585 176.117 0.089 0.000 1.046 154 I CA -0.034 61.340 61.300 0.123 0.000 1.282 154 I CB 1.164 39.271 38.000 0.179 0.000 1.409 154 I HN 0.822 nan 8.210 nan 0.000 0.484 155 A N 3.736 126.579 122.820 0.037 0.000 3.129 155 A HA 0.274 4.596 4.320 0.003 0.000 0.282 155 A C 0.885 178.475 177.584 0.011 0.000 0.948 155 A CA -0.357 51.698 52.037 0.029 0.000 1.027 155 A CB -0.341 18.665 19.000 0.009 0.000 1.123 155 A HN 0.726 nan 8.150 nan 0.000 0.485 156 T N -3.148 111.421 114.554 0.025 0.000 3.107 156 T HA 0.449 4.801 4.350 0.003 0.000 0.249 156 T C 1.303 176.019 174.700 0.025 0.000 1.096 156 T CA 0.927 63.036 62.100 0.016 0.000 1.012 156 T CB -0.187 68.695 68.868 0.023 0.000 0.977 156 T HN 1.977 nan 8.240 nan 0.000 0.527 157 G N 0.420 109.242 108.800 0.038 0.000 2.569 157 G HA2 0.229 4.191 3.960 0.003 0.000 0.259 157 G HA3 0.229 4.191 3.960 0.003 0.000 0.259 157 G C 0.087 175.019 174.900 0.052 0.000 1.263 157 G CA -0.311 44.815 45.100 0.043 0.000 0.928 157 G HN 1.244 nan 8.290 nan 0.000 0.572 158 G N -1.976 106.853 108.800 0.047 0.000 3.021 158 G HA2 0.978 4.940 3.960 0.003 0.000 0.290 158 G HA3 0.978 4.940 3.960 0.003 0.000 0.290 158 G C -0.391 174.525 174.900 0.027 0.000 1.291 158 G CA 0.162 45.289 45.100 0.045 0.000 0.834 158 G HN 1.891 nan 8.290 nan 0.000 0.564 159 M N -2.017 117.598 119.600 0.025 0.000 2.644 159 M HA 0.570 5.051 4.480 0.003 0.000 0.273 159 M C -3.238 173.077 176.300 0.023 0.000 1.253 159 M CA -1.868 53.442 55.300 0.017 0.000 0.852 159 M CB 2.093 34.691 32.600 -0.003 0.000 1.708 159 M HN 0.166 nan 8.290 nan 0.000 0.471 160 P HA 0.155 nan 4.420 nan 0.000 0.271 160 P C -0.685 176.616 177.300 0.003 0.000 1.216 160 P CA -0.031 63.088 63.100 0.031 0.000 0.776 160 P CB 1.016 32.749 31.700 0.055 0.000 0.881 161 S N 1.781 117.478 115.700 -0.005 0.000 2.548 161 S HA 0.381 4.852 4.470 0.003 0.000 0.277 161 S C -0.253 174.285 174.600 -0.104 0.000 1.315 161 S CA 0.122 58.290 58.200 -0.053 0.000 1.050 161 S CB -0.423 62.756 63.200 -0.036 0.000 0.918 161 S HN 0.369 nan 8.310 nan 0.000 0.497 162 T N 5.906 120.329 114.554 -0.218 0.000 2.893 162 T HA 0.555 4.906 4.350 0.003 0.000 0.291 162 T C -2.667 171.719 174.700 -0.524 0.000 1.028 162 T CA -0.946 60.913 62.100 -0.401 0.000 0.995 162 T CB 1.626 70.314 68.868 -0.300 0.000 1.051 162 T HN 0.427 nan 8.240 nan 0.000 0.470 163 P HA 0.235 nan 4.420 nan 0.000 0.269 163 P C -0.609 176.441 177.300 -0.418 0.000 1.215 163 P CA -0.253 62.522 63.100 -0.542 0.000 0.780 163 P CB 0.238 31.509 31.700 -0.715 0.000 0.898 164 H N 0.057 119.008 119.070 -0.198 0.000 2.652 164 H HA 0.028 4.585 4.556 0.002 0.000 0.349 164 H C 1.281 176.548 175.328 -0.102 0.000 1.099 164 H CA 0.203 56.176 56.048 -0.124 0.000 1.417 164 H CB 0.724 30.433 29.762 -0.087 0.000 1.457 164 H HN 0.474 nan 8.280 nan 0.000 0.568 165 E N 1.559 121.779 120.200 0.032 0.000 2.130 165 E HA -0.232 4.120 4.350 0.003 0.000 0.196 165 E C 1.789 178.410 176.600 0.035 0.000 0.998 165 E CA 1.961 58.376 56.400 0.024 0.000 0.806 165 E CB -0.088 29.626 29.700 0.023 0.000 0.738 165 E HN 0.676 nan 8.360 nan 0.000 0.459 166 S N -0.448 115.282 115.700 0.049 0.000 2.419 166 S HA -0.253 4.218 4.470 0.003 0.000 0.233 166 S C 2.092 176.699 174.600 0.013 0.000 1.016 166 S CA 1.327 59.540 58.200 0.021 0.000 0.974 166 S CB -0.317 62.882 63.200 -0.002 0.000 0.786 166 S HN 0.476 nan 8.310 nan 0.000 0.492 167 Q N 0.623 120.436 119.800 0.021 0.000 2.200 167 Q HA 0.262 4.604 4.340 0.003 0.000 0.197 167 Q C 0.059 176.065 176.000 0.010 0.000 0.953 167 Q CA 0.611 56.419 55.803 0.008 0.000 0.851 167 Q CB 0.272 29.013 28.738 0.004 0.000 0.938 167 Q HN 0.610 nan 8.270 nan 0.000 0.488 168 I N 3.337 123.908 120.570 0.003 0.000 2.537 168 I HA 0.348 4.520 4.170 0.003 0.000 0.276 168 I C -2.428 173.713 176.117 0.041 0.000 1.063 168 I CA -2.406 58.910 61.300 0.027 0.000 1.144 168 I CB 1.676 39.684 38.000 0.013 0.000 1.252 168 I HN 0.024 nan 8.210 nan 0.000 0.480 169 P HA 0.081 nan 4.420 nan 0.000 0.268 169 P C 0.979 178.321 177.300 0.071 0.000 1.204 169 P CA 0.793 63.921 63.100 0.047 0.000 0.768 169 P CB 0.910 32.632 31.700 0.038 0.000 0.842 170 G N 2.527 111.368 108.800 0.069 0.000 2.176 170 G HA2 -0.324 3.638 3.960 0.003 0.000 0.253 170 G HA3 -0.324 3.638 3.960 0.003 0.000 0.253 170 G C 1.140 176.134 174.900 0.156 0.000 0.979 170 G CA 0.434 45.589 45.100 0.092 0.000 0.641 170 G HN 0.683 nan 8.290 nan 0.000 0.530 171 A N 0.878 123.797 122.820 0.166 0.000 1.978 171 A HA 0.143 4.465 4.320 0.003 0.000 0.220 171 A C 2.657 180.419 177.584 0.296 0.000 1.170 171 A CA 2.702 54.910 52.037 0.285 0.000 0.636 171 A CB -0.741 18.208 19.000 -0.084 0.000 0.810 171 A HN 1.808 nan 8.150 nan 0.000 0.448 172 S N -0.254 115.524 115.700 0.130 0.000 2.507 172 S HA -0.006 4.465 4.470 0.003 0.000 0.235 172 S C 1.573 176.250 174.600 0.129 0.000 0.988 172 S CA 1.152 59.414 58.200 0.103 0.000 0.944 172 S CB -0.630 62.596 63.200 0.044 0.000 0.762 172 S HN 0.483 nan 8.310 nan 0.000 0.526 173 L N 1.161 122.468 121.223 0.139 0.000 2.376 173 L HA 0.216 4.557 4.340 0.003 0.000 0.219 173 L C 1.747 178.669 176.870 0.086 0.000 1.133 173 L CA 0.226 55.122 54.840 0.092 0.000 0.816 173 L CB -0.922 41.176 42.059 0.066 0.000 0.933 173 L HN 0.446 nan 8.230 nan 0.000 0.449 174 G N 0.393 109.298 108.800 0.175 0.000 2.562 174 G HA2 0.514 4.475 3.960 0.003 0.000 0.275 174 G HA3 0.514 4.475 3.960 0.003 0.000 0.275 174 G C -0.301 174.684 174.900 0.142 0.000 1.196 174 G CA -0.479 44.653 45.100 0.054 0.000 0.908 174 G HN 0.151 nan 8.290 nan 0.000 0.524 175 I N -2.338 118.270 120.570 0.064 0.000 3.237 175 I HA 0.880 5.052 4.170 0.003 0.000 0.308 175 I C 0.391 176.602 176.117 0.157 0.000 1.093 175 I CA -0.953 60.410 61.300 0.106 0.000 1.001 175 I CB 2.290 40.323 38.000 0.055 0.000 1.245 175 I HN 0.646 nan 8.210 nan 0.000 0.485 176 T N -1.814 112.828 114.554 0.145 0.000 2.762 176 T HA 0.315 4.667 4.350 0.003 0.000 0.272 176 T C 1.041 175.807 174.700 0.109 0.000 0.982 176 T CA 0.031 62.214 62.100 0.138 0.000 1.013 176 T CB 1.001 69.950 68.868 0.135 0.000 1.309 176 T HN 0.824 nan 8.240 nan 0.000 0.572 177 S N 0.110 115.860 115.700 0.084 0.000 2.400 177 S HA -0.159 4.313 4.470 0.003 0.000 0.232 177 S C 1.302 176.042 174.600 0.233 0.000 1.025 177 S CA 1.454 59.704 58.200 0.083 0.000 0.993 177 S CB -0.955 62.288 63.200 0.072 0.000 0.808 177 S HN 0.704 nan 8.310 nan 0.000 0.478 178 D N 2.303 122.837 120.400 0.224 0.000 2.104 178 D HA -0.007 4.635 4.640 0.003 0.000 0.194 178 D C 2.208 178.648 176.300 0.233 0.000 0.994 178 D CA 1.517 55.671 54.000 0.256 0.000 0.830 178 D CB -1.091 39.800 40.800 0.152 0.000 0.959 178 D HN 0.563 nan 8.370 nan 0.000 0.452 179 G N -0.149 108.749 108.800 0.163 0.000 2.422 179 G HA2 -0.256 3.706 3.960 0.003 0.000 0.218 179 G HA3 -0.256 3.706 3.960 0.003 0.000 0.218 179 G C 1.500 176.467 174.900 0.111 0.000 1.140 179 G CA 0.236 45.409 45.100 0.122 0.000 0.775 179 G HN 0.266 nan 8.290 nan 0.000 0.545 180 F N 1.020 120.932 119.950 -0.063 0.000 2.120 180 F HA -0.083 4.446 4.527 0.002 0.000 0.300 180 F C 1.947 177.654 175.800 -0.155 0.000 1.095 180 F CA 1.357 59.251 58.000 -0.177 0.000 1.249 180 F CB -0.124 38.652 39.000 -0.374 0.000 0.995 180 F HN 0.118 nan 8.300 nan 0.000 0.480 181 F N -0.004 120.070 119.950 0.207 0.000 2.699 181 F HA -0.031 4.497 4.527 0.002 0.000 0.298 181 F C 2.047 177.884 175.800 0.063 0.000 1.154 181 F CA 0.487 58.549 58.000 0.104 0.000 1.457 181 F CB -0.586 38.517 39.000 0.172 0.000 1.106 181 F HN 0.074 nan 8.300 nan 0.000 0.585 182 Q N -0.029 119.870 119.800 0.165 0.000 2.384 182 Q HA 0.199 4.540 4.340 0.003 0.000 0.207 182 Q C 0.695 176.736 176.000 0.068 0.000 0.904 182 Q CA 0.125 55.997 55.803 0.115 0.000 0.933 182 Q CB 0.159 28.951 28.738 0.091 0.000 1.077 182 Q HN 0.355 nan 8.270 nan 0.000 0.522 183 L N 1.552 122.783 121.223 0.014 0.000 2.525 183 L HA -0.069 4.273 4.340 0.003 0.000 0.278 183 L C 1.229 178.147 176.870 0.080 0.000 1.218 183 L CA 0.504 55.301 54.840 -0.071 0.000 0.878 183 L CB 0.340 42.225 42.059 -0.290 0.000 1.127 183 L HN 0.093 nan 8.230 nan 0.000 0.492 184 E N 1.194 121.366 120.200 -0.047 0.000 2.489 184 E HA 0.096 4.448 4.350 0.003 0.000 0.204 184 E C -0.327 176.231 176.600 -0.070 0.000 1.006 184 E CA 0.118 56.551 56.400 0.056 0.000 0.936 184 E CB 0.680 30.395 29.700 0.025 0.000 1.002 184 E HN 0.506 nan 8.360 nan 0.000 0.488 185 E N 0.285 120.182 120.200 -0.505 0.000 2.408 185 E HA 0.199 4.551 4.350 0.003 0.000 0.275 185 E C -1.186 174.737 176.600 -1.128 0.000 0.935 185 E CA -1.009 55.041 56.400 -0.582 0.000 0.775 185 E CB 1.939 31.472 29.700 -0.279 0.000 1.277 185 E HN -0.065 nan 8.360 nan 0.000 0.455 186 L N 3.123 123.893 121.223 -0.755 0.000 2.418 186 L HA 0.263 4.604 4.340 0.003 0.000 0.274 186 L C -2.334 174.297 176.870 -0.397 0.000 1.135 186 L CA -0.939 53.526 54.840 -0.626 0.000 0.870 186 L CB 0.020 42.083 42.059 0.008 0.000 1.154 186 L HN 0.186 nan 8.230 nan 0.000 0.462 187 P HA 0.191 nan 4.420 nan 0.000 0.271 187 P C 0.625 177.851 177.300 -0.123 0.000 1.216 187 P CA -0.070 62.898 63.100 -0.221 0.000 0.771 187 P CB 0.953 32.540 31.700 -0.188 0.000 0.864 188 G N 2.458 111.204 108.800 -0.091 0.000 2.402 188 G HA2 -0.156 3.806 3.960 0.003 0.000 0.216 188 G HA3 -0.156 3.806 3.960 0.003 0.000 0.216 188 G C 0.527 175.402 174.900 -0.042 0.000 1.162 188 G CA 0.633 45.702 45.100 -0.053 0.000 0.777 188 G HN 0.483 nan 8.290 nan 0.000 0.539 189 R N -0.189 120.279 120.500 -0.053 0.000 2.514 189 R HA 0.572 4.914 4.340 0.003 0.000 0.296 189 R C -1.521 174.743 176.300 -0.060 0.000 1.012 189 R CA -0.248 55.823 56.100 -0.047 0.000 0.897 189 R CB 1.600 31.874 30.300 -0.045 0.000 1.184 189 R HN 0.024 nan 8.270 nan 0.000 0.440 190 S N 2.389 118.058 115.700 -0.052 0.000 2.513 190 S HA 0.634 5.106 4.470 0.003 0.000 0.299 190 S C -1.322 173.234 174.600 -0.072 0.000 1.087 190 S CA -0.720 57.443 58.200 -0.062 0.000 1.012 190 S CB 2.044 65.224 63.200 -0.035 0.000 1.044 190 S HN 0.332 nan 8.310 nan 0.000 0.485 191 V N 3.796 123.646 119.914 -0.107 0.000 2.443 191 V HA 0.472 4.593 4.120 0.003 0.000 0.293 191 V C -1.032 174.962 176.094 -0.166 0.000 1.021 191 V CA -0.577 61.647 62.300 -0.127 0.000 0.848 191 V CB 1.169 32.905 31.823 -0.146 0.000 0.998 191 V HN 0.729 nan 8.190 nan 0.000 0.424 192 I N 5.391 125.885 120.570 -0.128 0.000 2.359 192 I HA 0.440 4.612 4.170 0.003 0.000 0.294 192 I C -0.039 176.008 176.117 -0.117 0.000 0.987 192 I CA -0.289 60.933 61.300 -0.130 0.000 1.225 192 I CB 1.855 39.801 38.000 -0.091 0.000 1.366 192 I HN 0.282 nan 8.210 nan 0.000 0.466 193 V N 5.677 125.519 119.914 -0.119 0.000 2.347 193 V HA 0.956 5.078 4.120 0.003 0.000 0.280 193 V C 0.430 176.556 176.094 0.054 0.000 1.021 193 V CA -0.252 62.031 62.300 -0.027 0.000 0.847 193 V CB 0.562 32.376 31.823 -0.015 0.000 0.990 193 V HN 1.051 nan 8.190 nan 0.000 0.444 194 G N 3.647 112.471 108.800 0.040 0.000 2.347 194 G HA2 0.516 4.478 3.960 0.003 0.000 0.321 194 G HA3 0.516 4.478 3.960 0.003 0.000 0.321 194 G C -0.323 174.582 174.900 0.009 0.000 1.412 194 G CA 0.109 45.234 45.100 0.041 0.000 0.990 194 G HN 1.199 nan 8.290 nan 0.000 0.637 195 A N -0.743 122.086 122.820 0.015 0.000 2.600 195 A HA 0.778 5.099 4.320 0.003 0.000 0.252 195 A C 1.138 178.725 177.584 0.005 0.000 1.200 195 A CA 1.414 53.452 52.037 0.002 0.000 0.981 195 A CB 0.110 19.117 19.000 0.011 0.000 1.207 195 A HN 2.112 nan 8.150 nan 0.000 0.577 196 G N -1.382 107.429 108.800 0.018 0.000 2.532 196 G HA2 0.364 4.326 3.960 0.003 0.000 0.291 196 G HA3 0.364 4.326 3.960 0.003 0.000 0.291 196 G C 0.672 175.588 174.900 0.027 0.000 1.349 196 G CA 0.117 45.254 45.100 0.062 0.000 1.038 196 G HN 0.594 nan 8.290 nan 0.000 0.518 197 Y N -1.097 119.212 120.300 0.016 0.000 2.242 197 Y HA -0.001 4.551 4.550 0.004 0.000 0.291 197 Y C 2.280 178.177 175.900 -0.005 0.000 1.137 197 Y CA 1.287 59.374 58.100 -0.022 0.000 1.181 197 Y CB -0.365 38.115 38.460 0.032 0.000 0.989 197 Y HN 0.211 nan 8.280 nan 0.000 0.527 198 I N 1.174 121.291 120.570 -0.755 0.000 2.226 198 I HA -0.263 3.909 4.170 0.003 0.000 0.245 198 I C 2.860 178.825 176.117 -0.253 0.000 1.100 198 I CA 1.248 62.209 61.300 -0.565 0.000 1.374 198 I CB -0.718 36.961 38.000 -0.535 0.000 1.057 198 I HN 0.438 nan 8.210 nan 0.000 0.413 199 A N 0.513 123.228 122.820 -0.176 0.000 1.877 199 A HA -0.161 4.161 4.320 0.003 0.000 0.216 199 A C 2.447 179.982 177.584 -0.082 0.000 1.186 199 A CA 1.823 53.794 52.037 -0.109 0.000 0.620 199 A CB -1.017 17.946 19.000 -0.062 0.000 0.822 199 A HN 0.230 nan 8.150 nan 0.000 0.443 200 V N 0.123 120.002 119.914 -0.060 0.000 2.287 200 V HA -0.299 3.822 4.120 0.003 0.000 0.248 200 V C 2.460 178.562 176.094 0.014 0.000 1.053 200 V CA 2.429 64.715 62.300 -0.022 0.000 1.027 200 V CB -0.880 30.924 31.823 -0.033 0.000 0.646 200 V HN 0.651 nan 8.190 nan 0.000 0.447 201 E N -0.503 119.704 120.200 0.012 0.000 2.051 201 E HA -0.221 4.130 4.350 0.003 0.000 0.192 201 E C 2.250 178.860 176.600 0.016 0.000 0.991 201 E CA 1.528 57.969 56.400 0.069 0.000 0.799 201 E CB -0.223 29.529 29.700 0.087 0.000 0.748 201 E HN 0.540 nan 8.360 nan 0.000 0.449 202 M N 0.474 119.992 119.600 -0.137 0.000 2.086 202 M HA -0.153 4.329 4.480 0.003 0.000 0.261 202 M C 2.545 178.788 176.300 -0.095 0.000 1.067 202 M CA 1.497 56.631 55.300 -0.277 0.000 1.116 202 M CB -0.283 32.014 32.600 -0.504 0.000 1.348 202 M HN 0.124 nan 8.290 nan 0.000 0.407 203 A N 0.596 123.388 122.820 -0.047 0.000 1.908 203 A HA -0.088 4.234 4.320 0.003 0.000 0.218 203 A C 2.360 179.973 177.584 0.049 0.000 1.181 203 A CA 2.022 54.057 52.037 -0.002 0.000 0.627 203 A CB -1.600 17.394 19.000 -0.010 0.000 0.818 203 A HN 0.566 nan 8.150 nan 0.000 0.445 204 G N -0.262 108.601 108.800 0.105 0.000 2.422 204 G HA2 -0.146 3.816 3.960 0.003 0.000 0.218 204 G HA3 -0.146 3.816 3.960 0.003 0.000 0.218 204 G C 1.526 176.506 174.900 0.134 0.000 1.146 204 G CA 1.081 46.293 45.100 0.186 0.000 0.769 204 G HN 0.481 nan 8.290 nan 0.000 0.547 205 I N 0.148 120.836 120.570 0.196 0.000 2.163 205 I HA -0.090 4.082 4.170 0.003 0.000 0.240 205 I C 2.706 178.906 176.117 0.138 0.000 1.081 205 I CA 0.637 62.044 61.300 0.179 0.000 1.353 205 I CB -0.191 37.960 38.000 0.253 0.000 1.054 205 I HN 0.107 nan 8.210 nan 0.000 0.407 206 L N -0.309 121.024 121.223 0.183 0.000 2.046 206 L HA -0.241 4.101 4.340 0.003 0.000 0.208 206 L C 2.718 179.643 176.870 0.092 0.000 1.077 206 L CA 1.445 56.404 54.840 0.199 0.000 0.747 206 L CB -0.516 41.651 42.059 0.179 0.000 0.896 206 L HN 0.233 nan 8.230 nan 0.000 0.432 207 S N -0.613 115.111 115.700 0.040 0.000 2.371 207 S HA -0.123 4.349 4.470 0.003 0.000 0.224 207 S C 2.143 176.725 174.600 -0.029 0.000 1.029 207 S CA 1.077 59.280 58.200 0.005 0.000 0.978 207 S CB -0.092 63.105 63.200 -0.005 0.000 0.833 207 S HN 0.428 nan 8.310 nan 0.000 0.466 208 A N 1.248 124.010 122.820 -0.097 0.000 1.940 208 A HA 0.055 4.376 4.320 0.003 0.000 0.219 208 A C 1.996 179.492 177.584 -0.148 0.000 1.176 208 A CA 1.287 53.219 52.037 -0.176 0.000 0.631 208 A CB -0.659 18.113 19.000 -0.380 0.000 0.814 208 A HN 0.587 nan 8.150 nan 0.000 0.446 209 L N -1.738 119.408 121.223 -0.129 0.000 2.599 209 L HA 0.208 4.550 4.340 0.003 0.000 0.230 209 L C 1.586 178.472 176.870 0.026 0.000 1.141 209 L CA 0.587 55.324 54.840 -0.171 0.000 0.877 209 L CB -0.054 41.870 42.059 -0.226 0.000 1.009 209 L HN 0.602 nan 8.230 nan 0.000 0.447 210 G N -0.932 107.896 108.800 0.046 0.000 2.205 210 G HA2 -0.221 3.741 3.960 0.003 0.000 0.180 210 G HA3 -0.221 3.741 3.960 0.003 0.000 0.180 210 G C 0.270 175.204 174.900 0.057 0.000 1.004 210 G CA 0.065 45.206 45.100 0.068 0.000 0.670 210 G HN 0.189 nan 8.290 nan 0.000 0.496 211 S N 0.210 115.942 115.700 0.055 0.000 2.564 211 S HA 0.446 4.918 4.470 0.003 0.000 0.278 211 S C 0.640 175.247 174.600 0.011 0.000 1.333 211 S CA -0.011 58.205 58.200 0.026 0.000 1.048 211 S CB 0.794 64.008 63.200 0.024 0.000 0.900 211 S HN 0.461 nan 8.310 nan 0.000 0.505 212 K N 3.620 124.018 120.400 -0.003 0.000 2.278 212 K HA 0.158 4.480 4.320 0.003 0.000 0.289 212 K C -0.808 175.783 176.600 -0.016 0.000 1.080 212 K CA 0.115 56.397 56.287 -0.009 0.000 0.934 212 K CB -0.164 32.328 32.500 -0.013 0.000 1.093 212 K HN 0.530 nan 8.250 nan 0.000 0.459 213 T N 2.354 116.901 114.554 -0.012 0.000 2.829 213 T HA 0.318 4.670 4.350 0.003 0.000 0.280 213 T C -0.907 173.780 174.700 -0.022 0.000 0.999 213 T CA -0.667 61.423 62.100 -0.017 0.000 0.983 213 T CB 1.695 70.560 68.868 -0.004 0.000 0.968 213 T HN 0.416 nan 8.240 nan 0.000 0.446 214 S N 2.028 117.708 115.700 -0.033 0.000 2.532 214 S HA 0.722 5.193 4.470 0.003 0.000 0.301 214 S C -1.219 173.355 174.600 -0.042 0.000 1.083 214 S CA -0.760 57.419 58.200 -0.034 0.000 1.025 214 S CB 1.518 64.695 63.200 -0.039 0.000 1.056 214 S HN 0.558 nan 8.310 nan 0.000 0.494 215 L N 2.872 124.073 121.223 -0.036 0.000 2.343 215 L HA 0.593 4.934 4.340 0.003 0.000 0.278 215 L C -0.849 175.999 176.870 -0.037 0.000 0.996 215 L CA -0.327 54.489 54.840 -0.040 0.000 0.831 215 L CB 1.223 43.264 42.059 -0.031 0.000 1.232 215 L HN 0.794 nan 8.230 nan 0.000 0.413 216 M N 7.224 126.799 119.600 -0.041 0.000 2.088 216 M HA 0.542 5.023 4.480 0.003 0.000 0.346 216 M C -1.049 175.239 176.300 -0.020 0.000 1.111 216 M CA -0.544 54.738 55.300 -0.030 0.000 1.017 216 M CB 0.656 33.237 32.600 -0.031 0.000 1.568 216 M HN 0.703 nan 8.290 nan 0.000 0.445 217 I N 1.415 121.963 120.570 -0.036 0.000 2.689 217 I HA 0.502 4.673 4.170 0.003 0.000 0.299 217 I C 0.169 176.227 176.117 -0.097 0.000 1.059 217 I CA -0.975 60.297 61.300 -0.047 0.000 1.055 217 I CB 2.130 40.093 38.000 -0.062 0.000 1.243 217 I HN 0.706 nan 8.210 nan 0.000 0.425 218 R N 1.463 121.915 120.500 -0.079 0.000 2.189 218 R HA 0.139 4.480 4.340 0.003 0.000 0.218 218 R C 0.550 176.499 176.300 -0.585 0.000 1.074 218 R CA 0.927 56.906 56.100 -0.201 0.000 0.991 218 R CB -0.149 30.093 30.300 -0.096 0.000 0.883 218 R HN 0.687 nan 8.270 nan 0.000 0.457 219 H N -0.966 117.819 119.070 -0.476 0.000 3.878 219 H HA 0.083 4.641 4.556 0.003 0.000 0.332 219 H C 0.439 175.068 175.328 -1.164 0.000 1.613 219 H CA -0.293 55.168 56.048 -0.978 0.000 1.413 219 H CB 0.425 29.945 29.762 -0.404 0.000 1.066 219 H HN 0.033 nan 8.280 nan 0.000 0.797 220 D N 0.237 120.273 120.400 -0.606 0.000 2.355 220 D HA 0.093 4.735 4.640 0.003 0.000 0.206 220 D C 0.116 176.345 176.300 -0.118 0.000 1.010 220 D CA 0.552 54.378 54.000 -0.291 0.000 0.875 220 D CB 1.072 41.893 40.800 0.036 0.000 0.966 220 D HN 0.151 nan 8.370 nan 0.000 0.512 221 K N 0.136 120.477 120.400 -0.098 0.000 2.512 221 K HA 0.460 4.782 4.320 0.003 0.000 0.263 221 K C -0.599 175.965 176.600 -0.060 0.000 0.966 221 K CA -1.071 55.181 56.287 -0.060 0.000 0.851 221 K CB 3.389 35.866 32.500 -0.039 0.000 1.395 221 K HN -0.066 nan 8.250 nan 0.000 0.440 222 V N -0.749 119.130 119.914 -0.058 0.000 3.170 222 V HA 0.405 4.526 4.120 0.003 0.000 0.309 222 V C 0.522 176.571 176.094 -0.075 0.000 1.071 222 V CA -0.751 61.512 62.300 -0.062 0.000 1.063 222 V CB 0.149 31.929 31.823 -0.072 0.000 1.123 222 V HN 0.838 nan 8.190 nan 0.000 0.464 223 L N -0.469 120.709 121.223 -0.075 0.000 3.660 223 L HA -0.194 4.148 4.340 0.003 0.000 0.440 223 L C 1.743 178.651 176.870 0.065 0.000 1.262 223 L CA 0.595 55.384 54.840 -0.086 0.000 0.837 223 L CB -1.303 40.472 42.059 -0.472 0.000 1.689 223 L HN 0.834 nan 8.230 nan 0.000 0.890 224 R N 0.177 120.706 120.500 0.050 0.000 2.235 224 R HA -0.078 4.264 4.340 0.003 0.000 0.213 224 R C 2.133 178.471 176.300 0.063 0.000 1.059 224 R CA 1.333 57.445 56.100 0.020 0.000 0.997 224 R CB -0.060 30.203 30.300 -0.062 0.000 0.884 224 R HN 0.744 nan 8.270 nan 0.000 0.462 225 S N -0.273 115.512 115.700 0.143 0.000 2.522 225 S HA 0.031 4.502 4.470 0.003 0.000 0.227 225 S C 0.565 175.207 174.600 0.069 0.000 0.986 225 S CA 0.055 58.306 58.200 0.085 0.000 0.929 225 S CB -0.105 63.133 63.200 0.064 0.000 0.769 225 S HN -0.033 nan 8.310 nan 0.000 0.529 226 F N 2.582 122.499 119.950 -0.054 0.000 2.368 226 F HA 0.444 4.972 4.527 0.002 0.000 0.308 226 F C 0.936 176.656 175.800 -0.133 0.000 1.198 226 F CA -1.854 56.100 58.000 -0.077 0.000 1.130 226 F CB -0.018 38.948 39.000 -0.056 0.000 1.300 226 F HN 0.042 nan 8.300 nan 0.000 0.537 227 D N -0.257 120.107 120.400 -0.059 0.000 2.472 227 D HA 0.016 4.658 4.640 0.003 0.000 0.237 227 D C 1.131 177.388 176.300 -0.072 0.000 1.141 227 D CA 0.690 54.561 54.000 -0.215 0.000 0.875 227 D CB 0.863 41.310 40.800 -0.588 0.000 1.192 227 D HN 0.518 nan 8.370 nan 0.000 0.450 228 S N 3.745 119.406 115.700 -0.064 0.000 2.387 228 S HA -0.351 4.121 4.470 0.003 0.000 0.230 228 S C 2.011 176.598 174.600 -0.022 0.000 1.035 228 S CA 1.329 59.511 58.200 -0.030 0.000 1.014 228 S CB -0.472 62.712 63.200 -0.026 0.000 0.836 228 S HN 0.747 nan 8.310 nan 0.000 0.466 229 M N 0.678 120.262 119.600 -0.027 0.000 2.117 229 M HA -0.050 4.432 4.480 0.003 0.000 0.262 229 M C 1.732 178.029 176.300 -0.004 0.000 1.065 229 M CA 1.613 56.909 55.300 -0.007 0.000 1.114 229 M CB -0.257 32.348 32.600 0.008 0.000 1.361 229 M HN 0.273 nan 8.290 nan 0.000 0.408 230 I N -0.254 120.316 120.570 0.001 0.000 2.252 230 I HA -0.215 3.957 4.170 0.003 0.000 0.245 230 I C 2.664 178.756 176.117 -0.042 0.000 1.102 230 I CA 1.396 62.693 61.300 -0.004 0.000 1.385 230 I CB -1.668 36.367 38.000 0.059 0.000 1.064 230 I HN 0.406 nan 8.210 nan 0.000 0.414 231 S N 0.431 116.115 115.700 -0.027 0.000 2.359 231 S HA -0.200 4.272 4.470 0.003 0.000 0.224 231 S C 2.115 176.691 174.600 -0.040 0.000 1.035 231 S CA 2.434 60.607 58.200 -0.045 0.000 1.018 231 S CB -0.261 62.929 63.200 -0.016 0.000 0.876 231 S HN 0.482 nan 8.310 nan 0.000 0.448 232 T N 1.668 116.208 114.554 -0.023 0.000 2.674 232 T HA -0.093 4.259 4.350 0.003 0.000 0.265 232 T C 1.787 176.475 174.700 -0.019 0.000 1.039 232 T CA 1.722 63.812 62.100 -0.016 0.000 1.150 232 T CB -0.818 68.046 68.868 -0.006 0.000 0.864 232 T HN 0.602 nan 8.240 nan 0.000 0.427 233 N N 0.053 118.740 118.700 -0.021 0.000 2.120 233 N HA -0.108 4.634 4.740 0.003 0.000 0.188 233 N C 2.079 177.572 175.510 -0.027 0.000 1.024 233 N CA 1.264 54.302 53.050 -0.021 0.000 0.852 233 N CB -0.631 37.844 38.487 -0.020 0.000 1.003 233 N HN 0.416 nan 8.380 nan 0.000 0.424 234 C N -0.398 118.875 119.300 -0.046 0.000 2.429 234 C HA -0.054 4.408 4.460 0.003 0.000 0.277 234 C C 2.512 177.480 174.990 -0.036 0.000 1.262 234 C CA 1.615 60.601 59.018 -0.054 0.000 1.733 234 C CB -1.540 26.136 27.740 -0.107 0.000 2.010 234 C HN 0.527 nan 8.230 nan 0.000 0.483 235 T N 0.547 115.078 114.554 -0.038 0.000 2.708 235 T HA -0.171 4.181 4.350 0.003 0.000 0.266 235 T C 1.572 176.264 174.700 -0.014 0.000 1.037 235 T CA 1.964 64.048 62.100 -0.027 0.000 1.146 235 T CB -0.373 68.479 68.868 -0.027 0.000 0.865 235 T HN 0.691 nan 8.240 nan 0.000 0.435 236 E N 0.672 120.865 120.200 -0.011 0.000 2.077 236 E HA -0.133 4.219 4.350 0.003 0.000 0.193 236 E C 2.506 179.104 176.600 -0.003 0.000 0.989 236 E CA 0.823 57.220 56.400 -0.006 0.000 0.800 236 E CB -0.033 29.663 29.700 -0.006 0.000 0.746 236 E HN 0.409 nan 8.360 nan 0.000 0.452 237 E N 0.668 120.868 120.200 -0.000 0.000 2.106 237 E HA -0.150 4.202 4.350 0.003 0.000 0.192 237 E C 2.283 178.897 176.600 0.023 0.000 0.984 237 E CA 0.596 57.004 56.400 0.013 0.000 0.806 237 E CB -0.138 29.575 29.700 0.023 0.000 0.750 237 E HN 0.293 nan 8.360 nan 0.000 0.458 238 L N 1.043 122.277 121.223 0.019 0.000 1.989 238 L HA -0.225 4.116 4.340 0.003 0.000 0.211 238 L C 2.434 179.310 176.870 0.010 0.000 1.071 238 L CA 1.472 56.325 54.840 0.022 0.000 0.749 238 L CB -0.361 41.704 42.059 0.011 0.000 0.890 238 L HN 0.110 nan 8.230 nan 0.000 0.431 239 E N -0.203 119.999 120.200 0.002 0.000 2.077 239 E HA -0.212 4.140 4.350 0.003 0.000 0.193 239 E C 1.879 178.476 176.600 -0.005 0.000 0.989 239 E CA 1.217 57.616 56.400 -0.002 0.000 0.800 239 E CB -0.203 29.495 29.700 -0.002 0.000 0.746 239 E HN 0.473 nan 8.360 nan 0.000 0.452 240 N N 0.690 119.387 118.700 -0.004 0.000 2.289 240 N HA -0.107 4.635 4.740 0.003 0.000 0.184 240 N C 1.335 176.838 175.510 -0.012 0.000 1.016 240 N CA 1.081 54.125 53.050 -0.010 0.000 0.872 240 N CB -0.141 38.339 38.487 -0.012 0.000 0.973 240 N HN 0.119 nan 8.380 nan 0.000 0.433 241 A N -0.516 122.302 122.820 -0.003 0.000 2.251 241 A HA 0.443 4.765 4.320 0.003 0.000 0.209 241 A C 1.501 179.074 177.584 -0.018 0.000 1.187 241 A CA 0.781 52.813 52.037 -0.008 0.000 0.823 241 A CB -0.245 18.758 19.000 0.004 0.000 0.846 241 A HN 0.309 nan 8.150 nan 0.000 0.486 242 G N -1.788 107.003 108.800 -0.015 0.000 2.176 242 G HA2 -0.189 3.772 3.960 0.003 0.000 0.232 242 G HA3 -0.189 3.772 3.960 0.003 0.000 0.232 242 G C 0.149 175.042 174.900 -0.012 0.000 0.986 242 G CA 0.007 45.097 45.100 -0.017 0.000 0.643 242 G HN 0.723 nan 8.290 nan 0.000 0.522 243 V N 1.554 121.464 119.914 -0.006 0.000 2.508 243 V HA 0.347 4.469 4.120 0.003 0.000 0.281 243 V C 0.868 176.957 176.094 -0.008 0.000 1.041 243 V CA -0.024 62.273 62.300 -0.005 0.000 1.016 243 V CB 1.619 33.443 31.823 0.002 0.000 0.984 243 V HN 0.426 nan 8.190 nan 0.000 0.478 244 E N 4.575 124.769 120.200 -0.011 0.000 2.166 244 E HA 0.238 4.589 4.350 0.003 0.000 0.279 244 E C -0.979 175.614 176.600 -0.012 0.000 1.095 244 E CA -0.441 55.952 56.400 -0.010 0.000 0.888 244 E CB 1.015 30.708 29.700 -0.012 0.000 1.041 244 E HN 0.531 nan 8.360 nan 0.000 0.414 245 V N 7.208 127.117 119.914 -0.010 0.000 2.368 245 V HA 0.147 4.269 4.120 0.003 0.000 0.266 245 V C 0.257 176.346 176.094 -0.009 0.000 1.045 245 V CA -0.446 61.845 62.300 -0.014 0.000 0.899 245 V CB 0.745 32.558 31.823 -0.016 0.000 1.006 245 V HN 0.648 nan 8.190 nan 0.000 0.470 246 L N 6.492 127.707 121.223 -0.013 0.000 2.302 246 L HA 0.396 4.738 4.340 0.003 0.000 0.285 246 L C 0.476 177.342 176.870 -0.007 0.000 1.090 246 L CA -0.171 54.668 54.840 -0.002 0.000 0.866 246 L CB 0.180 42.235 42.059 -0.006 0.000 1.244 246 L HN 0.563 nan 8.230 nan 0.000 0.435 247 K N 2.925 123.334 120.400 0.015 0.000 2.118 247 K HA 0.367 4.688 4.320 0.003 0.000 0.264 247 K C 0.009 176.654 176.600 0.074 0.000 1.000 247 K CA -0.694 55.578 56.287 -0.025 0.000 0.929 247 K CB 0.670 33.190 32.500 0.034 0.000 1.021 247 K HN 0.263 nan 8.250 nan 0.000 0.463 248 F N -0.142 119.792 119.950 -0.027 0.000 3.067 248 F HA -0.281 4.247 4.527 0.003 0.000 0.279 248 F C -0.226 175.544 175.800 -0.051 0.000 0.945 248 F CA 0.279 58.239 58.000 -0.067 0.000 0.948 248 F CB -1.538 37.429 39.000 -0.054 0.000 0.898 248 F HN 0.270 nan 8.300 nan 0.000 0.746 249 S N -0.068 115.658 115.700 0.043 0.000 2.526 249 S HA 0.757 5.229 4.470 0.003 0.000 0.293 249 S C -0.357 174.260 174.600 0.030 0.000 1.092 249 S CA -0.859 57.366 58.200 0.042 0.000 0.980 249 S CB 2.756 65.975 63.200 0.032 0.000 1.048 249 S HN 0.282 nan 8.310 nan 0.000 0.483 250 Q N 1.043 120.870 119.800 0.045 0.000 2.389 250 Q HA 0.536 4.878 4.340 0.003 0.000 0.277 250 Q C -1.321 174.728 176.000 0.082 0.000 1.082 250 Q CA -0.907 54.936 55.803 0.067 0.000 0.810 250 Q CB 2.225 30.998 28.738 0.059 0.000 1.374 250 Q HN 0.444 nan 8.270 nan 0.000 0.422 251 V N 2.446 122.441 119.914 0.135 0.000 2.530 251 V HA 0.075 4.196 4.120 0.003 0.000 0.282 251 V C 0.923 177.102 176.094 0.141 0.000 1.048 251 V CA 0.267 62.659 62.300 0.154 0.000 0.997 251 V CB 1.207 33.199 31.823 0.282 0.000 0.987 251 V HN 0.770 nan 8.190 nan 0.000 0.477 252 K N 3.290 123.749 120.400 0.099 0.000 2.276 252 K HA 0.224 4.546 4.320 0.003 0.000 0.198 252 K C 0.566 177.215 176.600 0.083 0.000 1.052 252 K CA 0.525 56.859 56.287 0.077 0.000 0.984 252 K CB 0.617 33.148 32.500 0.052 0.000 0.836 252 K HN 0.820 nan 8.250 nan 0.000 0.490 253 E N -0.347 119.909 120.200 0.092 0.000 2.401 253 E HA 0.265 4.616 4.350 0.003 0.000 0.280 253 E C -1.938 174.717 176.600 0.091 0.000 1.039 253 E CA -0.894 55.558 56.400 0.087 0.000 0.814 253 E CB 2.197 31.930 29.700 0.055 0.000 1.275 253 E HN -0.081 nan 8.360 nan 0.000 0.448 254 V N 2.324 122.294 119.914 0.095 0.000 2.709 254 V HA 0.583 4.704 4.120 0.003 0.000 0.308 254 V C -0.778 175.347 176.094 0.051 0.000 1.062 254 V CA -0.825 61.518 62.300 0.072 0.000 0.901 254 V CB 1.912 33.797 31.823 0.104 0.000 1.003 254 V HN 0.578 nan 8.190 nan 0.000 0.425 255 K N 1.913 122.331 120.400 0.029 0.000 2.422 255 K HA 0.577 4.898 4.320 0.003 0.000 0.251 255 K C -1.098 175.508 176.600 0.011 0.000 0.933 255 K CA -1.153 55.146 56.287 0.021 0.000 0.798 255 K CB 2.735 35.245 32.500 0.016 0.000 1.238 255 K HN 0.511 nan 8.250 nan 0.000 0.428 256 K N 1.780 122.186 120.400 0.010 0.000 2.368 256 K HA 0.132 4.454 4.320 0.003 0.000 0.282 256 K C -0.449 176.150 176.600 -0.001 0.000 1.035 256 K CA 0.247 56.536 56.287 0.003 0.000 0.973 256 K CB 0.539 33.041 32.500 0.004 0.000 0.957 256 K HN 0.711 nan 8.250 nan 0.000 0.474 257 T N 0.458 115.008 114.554 -0.007 0.000 2.910 257 T HA 0.342 4.693 4.350 0.003 0.000 0.287 257 T C 1.311 176.004 174.700 -0.010 0.000 1.050 257 T CA -0.968 61.127 62.100 -0.008 0.000 1.011 257 T CB 0.611 69.473 68.868 -0.010 0.000 1.195 257 T HN 0.412 nan 8.240 nan 0.000 0.540 258 L N 0.569 121.786 121.223 -0.010 0.000 2.131 258 L HA -0.022 4.320 4.340 0.003 0.000 0.210 258 L C 2.716 179.577 176.870 -0.015 0.000 1.092 258 L CA 1.677 56.511 54.840 -0.011 0.000 0.759 258 L CB -0.382 41.671 42.059 -0.010 0.000 0.903 258 L HN 0.865 nan 8.230 nan 0.000 0.435 259 S N -1.644 114.045 115.700 -0.017 0.000 2.523 259 S HA 0.368 4.840 4.470 0.003 0.000 0.217 259 S C 0.565 175.149 174.600 -0.028 0.000 0.996 259 S CA 0.211 58.398 58.200 -0.022 0.000 0.921 259 S CB 0.484 63.671 63.200 -0.021 0.000 0.829 259 S HN 0.496 nan 8.310 nan 0.000 0.495 260 G N 0.716 109.501 108.800 -0.026 0.000 2.593 260 G HA2 0.288 4.250 3.960 0.003 0.000 0.103 260 G HA3 0.288 4.250 3.960 0.003 0.000 0.103 260 G C -1.960 172.923 174.900 -0.028 0.000 1.103 260 G CA -0.662 44.418 45.100 -0.033 0.000 1.109 260 G HN 0.306 nan 8.290 nan 0.000 0.516 261 L N 0.852 122.055 121.223 -0.034 0.000 2.365 261 L HA 0.677 5.019 4.340 0.003 0.000 0.273 261 L C -0.519 176.334 176.870 -0.030 0.000 1.000 261 L CA -0.654 54.168 54.840 -0.030 0.000 0.819 261 L CB 2.283 44.316 42.059 -0.043 0.000 1.284 261 L HN 0.640 nan 8.230 nan 0.000 0.418 262 E N 1.832 122.021 120.200 -0.018 0.000 2.134 262 E HA 0.440 4.792 4.350 0.003 0.000 0.278 262 E C -1.399 175.194 176.600 -0.012 0.000 0.959 262 E CA -0.623 55.768 56.400 -0.016 0.000 0.783 262 E CB 1.738 31.433 29.700 -0.008 0.000 1.095 262 E HN 0.318 nan 8.360 nan 0.000 0.399 263 V N 3.948 123.849 119.914 -0.022 0.000 2.370 263 V HA 0.197 4.318 4.120 0.003 0.000 0.279 263 V C 0.086 176.179 176.094 -0.002 0.000 1.029 263 V CA -0.598 61.690 62.300 -0.019 0.000 0.870 263 V CB 1.374 33.164 31.823 -0.056 0.000 0.984 263 V HN 0.639 nan 8.190 nan 0.000 0.451 264 S N 6.770 122.481 115.700 0.018 0.000 2.430 264 S HA 0.608 5.080 4.470 0.003 0.000 0.289 264 S C -0.463 174.155 174.600 0.030 0.000 1.143 264 S CA -0.517 57.696 58.200 0.022 0.000 1.067 264 S CB 0.173 63.391 63.200 0.029 0.000 0.964 264 S HN 0.737 nan 8.310 nan 0.000 0.485 265 M N 6.124 125.737 119.600 0.022 0.000 2.383 265 M HA 0.606 5.088 4.480 0.003 0.000 0.325 265 M C -1.724 174.592 176.300 0.028 0.000 1.092 265 M CA -0.683 54.632 55.300 0.027 0.000 0.961 265 M CB 1.532 34.140 32.600 0.014 0.000 1.672 265 M HN 0.388 nan 8.290 nan 0.000 0.438 266 V N 3.434 123.368 119.914 0.034 0.000 2.417 266 V HA 0.519 4.640 4.120 0.003 0.000 0.291 266 V C -0.289 175.827 176.094 0.038 0.000 1.024 266 V CA -0.541 61.778 62.300 0.031 0.000 0.861 266 V CB 1.547 33.389 31.823 0.031 0.000 0.985 266 V HN 0.907 nan 8.190 nan 0.000 0.436 267 T N 3.887 118.463 114.554 0.037 0.000 2.807 267 T HA 0.712 5.063 4.350 0.003 0.000 0.279 267 T C -0.017 174.706 174.700 0.039 0.000 0.993 267 T CA -0.301 61.831 62.100 0.054 0.000 0.970 267 T CB 1.608 70.506 68.868 0.051 0.000 0.950 267 T HN 0.923 nan 8.240 nan 0.000 0.441 268 A N 3.261 126.113 122.820 0.054 0.000 2.984 268 A HA 0.596 4.918 4.320 0.003 0.000 0.320 268 A C -0.224 177.283 177.584 -0.129 0.000 1.142 268 A CA -0.533 51.495 52.037 -0.015 0.000 0.772 268 A CB 0.281 19.276 19.000 -0.007 0.000 1.195 268 A HN 0.665 nan 8.150 nan 0.000 0.459 269 V N 2.674 122.478 119.914 -0.183 0.000 2.614 269 V HA 0.209 4.331 4.120 0.003 0.000 0.291 269 V C -2.043 173.771 176.094 -0.466 0.000 1.049 269 V CA -1.224 60.796 62.300 -0.467 0.000 1.038 269 V CB 0.999 32.699 31.823 -0.205 0.000 0.980 269 V HN 0.647 nan 8.190 nan 0.000 0.481 270 P HA 0.188 nan 4.420 nan 0.000 0.264 270 P C 0.936 178.108 177.300 -0.215 0.000 1.183 270 P CA 1.385 64.272 63.100 -0.355 0.000 0.763 270 P CB 0.494 31.984 31.700 -0.350 0.000 0.807 271 G N 2.030 110.747 108.800 -0.138 0.000 2.199 271 G HA2 -0.245 3.717 3.960 0.003 0.000 0.254 271 G HA3 -0.245 3.717 3.960 0.003 0.000 0.254 271 G C 0.238 175.093 174.900 -0.075 0.000 0.982 271 G CA -0.234 44.812 45.100 -0.089 0.000 0.632 271 G HN 0.584 nan 8.290 nan 0.000 0.529 272 R N -0.752 119.694 120.500 -0.090 0.000 2.923 272 R HA 0.791 5.133 4.340 0.003 0.000 0.252 272 R C 0.041 176.305 176.300 -0.060 0.000 1.130 272 R CA -1.004 55.056 56.100 -0.066 0.000 1.043 272 R CB 1.097 31.359 30.300 -0.062 0.000 1.205 272 R HN 0.149 nan 8.270 nan 0.000 0.495 273 L N 1.804 123.003 121.223 -0.041 0.000 2.379 273 L HA 0.385 4.727 4.340 0.003 0.000 0.269 273 L C -1.986 174.867 176.870 -0.028 0.000 1.084 273 L CA -2.133 52.688 54.840 -0.032 0.000 0.802 273 L CB 0.853 42.899 42.059 -0.022 0.000 1.175 273 L HN 0.237 nan 8.230 nan 0.000 0.448 274 P HA 0.104 nan 4.420 nan 0.000 0.268 274 P C -1.046 176.251 177.300 -0.005 0.000 1.205 274 P CA -0.030 63.062 63.100 -0.012 0.000 0.771 274 P CB 1.032 32.727 31.700 -0.008 0.000 0.858 275 V N 4.091 124.007 119.914 0.002 0.000 2.888 275 V HA 0.485 4.607 4.120 0.003 0.000 0.309 275 V C -1.100 175.000 176.094 0.010 0.000 1.114 275 V CA -0.897 61.405 62.300 0.005 0.000 0.940 275 V CB 2.032 33.858 31.823 0.004 0.000 1.021 275 V HN 0.295 nan 8.190 nan 0.000 0.426 276 M N 4.556 124.162 119.600 0.009 0.000 2.209 276 M HA 0.530 5.012 4.480 0.003 0.000 0.355 276 M C -0.255 176.050 176.300 0.009 0.000 1.171 276 M CA 0.017 55.324 55.300 0.011 0.000 1.069 276 M CB 0.816 33.422 32.600 0.011 0.000 1.622 276 M HN 0.696 nan 8.290 nan 0.000 0.459 277 T N 3.477 118.037 114.554 0.010 0.000 2.886 277 T HA 0.608 4.960 4.350 0.003 0.000 0.292 277 T C -0.375 174.327 174.700 0.005 0.000 1.012 277 T CA -0.649 61.455 62.100 0.006 0.000 0.982 277 T CB 1.626 70.498 68.868 0.006 0.000 1.018 277 T HN 0.427 nan 8.240 nan 0.000 0.451 278 M N 2.954 122.555 119.600 0.002 0.000 2.180 278 M HA 0.457 4.939 4.480 0.003 0.000 0.358 278 M C -0.414 175.882 176.300 -0.007 0.000 1.233 278 M CA -0.444 54.855 55.300 -0.001 0.000 1.114 278 M CB 0.289 32.889 32.600 -0.000 0.000 1.594 278 M HN 0.477 nan 8.290 nan 0.000 0.467 279 I N 6.564 127.126 120.570 -0.013 0.000 2.337 279 I HA 0.356 4.527 4.170 0.003 0.000 0.285 279 I C -2.126 173.976 176.117 -0.024 0.000 1.041 279 I CA -1.726 59.562 61.300 -0.021 0.000 1.199 279 I CB 0.740 38.721 38.000 -0.031 0.000 1.370 279 I HN 0.411 nan 8.210 nan 0.000 0.470 280 P HA 0.221 nan 4.420 nan 0.000 0.281 280 P C -0.666 176.618 177.300 -0.027 0.000 1.264 280 P CA -0.113 62.974 63.100 -0.021 0.000 0.824 280 P CB 0.886 32.576 31.700 -0.016 0.000 1.092 281 D N -2.013 118.371 120.400 -0.027 0.000 2.746 281 D HA -0.102 4.540 4.640 0.003 0.000 0.236 281 D C -0.393 175.884 176.300 -0.039 0.000 1.129 281 D CA 0.641 54.623 54.000 -0.030 0.000 0.691 281 D CB -1.951 38.833 40.800 -0.026 0.000 1.077 281 D HN 0.068 nan 8.370 nan 0.000 0.432 282 V N 1.081 120.967 119.914 -0.047 0.000 2.461 282 V HA 0.082 4.204 4.120 0.003 0.000 0.275 282 V C 1.482 177.537 176.094 -0.066 0.000 1.047 282 V CA -0.223 62.041 62.300 -0.061 0.000 0.955 282 V CB 1.725 33.503 31.823 -0.075 0.000 0.988 282 V HN 0.026 nan 8.190 nan 0.000 0.471 283 D N 1.986 122.343 120.400 -0.072 0.000 2.162 283 D HA 0.010 4.652 4.640 0.003 0.000 0.205 283 D C 0.606 176.851 176.300 -0.092 0.000 0.964 283 D CA 0.946 54.898 54.000 -0.080 0.000 0.847 283 D CB 0.489 41.236 40.800 -0.089 0.000 0.988 283 D HN 0.549 nan 8.370 nan 0.000 0.480 284 C N 1.798 121.038 119.300 -0.099 0.000 2.346 284 C HA 0.574 5.036 4.460 0.003 0.000 0.326 284 C C -1.057 173.854 174.990 -0.132 0.000 1.224 284 C CA -0.911 58.045 59.018 -0.104 0.000 1.408 284 C CB -0.361 27.323 27.740 -0.092 0.000 2.089 284 C HN 0.128 nan 8.230 nan 0.000 0.456 285 L N 7.151 128.268 121.223 -0.177 0.000 2.280 285 L HA 0.701 5.042 4.340 0.003 0.000 0.287 285 L C -0.962 175.691 176.870 -0.361 0.000 1.023 285 L CA -0.149 54.507 54.840 -0.307 0.000 0.819 285 L CB 1.204 43.040 42.059 -0.372 0.000 1.212 285 L HN 0.780 nan 8.230 nan 0.000 0.420 286 L N 5.602 126.614 121.223 -0.351 0.000 2.319 286 L HA 0.490 4.832 4.340 0.003 0.000 0.281 286 L C -1.319 175.401 176.870 -0.250 0.000 1.005 286 L CA -0.459 54.245 54.840 -0.227 0.000 0.828 286 L CB 0.897 42.894 42.059 -0.103 0.000 1.227 286 L HN 0.689 nan 8.230 nan 0.000 0.415 287 W N 5.028 126.316 121.300 -0.020 0.000 2.388 287 W HA 0.498 5.159 4.660 0.001 0.000 0.308 287 W C 0.400 176.897 176.519 -0.037 0.000 1.263 287 W CA -0.583 56.747 57.345 -0.025 0.000 1.286 287 W CB 1.144 30.591 29.460 -0.021 0.000 1.294 287 W HN 0.588 nan 8.180 nan 0.000 0.493 288 A N 5.368 128.295 122.820 0.179 0.000 3.297 288 A HA 0.322 4.644 4.320 0.003 0.000 0.304 288 A C 0.360 177.985 177.584 0.069 0.000 0.963 288 A CA -0.455 51.621 52.037 0.065 0.000 0.935 288 A CB -0.631 18.352 19.000 -0.029 0.000 1.093 288 A HN 0.805 nan 8.150 nan 0.000 0.480 289 I N -3.531 117.103 120.570 0.106 0.000 4.018 289 I HA 0.637 4.809 4.170 0.003 0.000 0.337 289 I C 0.583 176.732 176.117 0.054 0.000 1.327 289 I CA 0.171 61.524 61.300 0.089 0.000 1.100 289 I CB 0.662 38.728 38.000 0.110 0.000 1.025 289 I HN 0.444 nan 8.210 nan 0.000 0.396 290 G N 1.204 110.030 108.800 0.044 0.000 2.356 290 G HA2 0.290 4.252 3.960 0.003 0.000 0.300 290 G HA3 0.290 4.252 3.960 0.003 0.000 0.300 290 G C -1.758 173.168 174.900 0.044 0.000 1.331 290 G CA -1.021 44.107 45.100 0.047 0.000 0.905 290 G HN 0.087 nan 8.290 nan 0.000 0.587 291 R N -0.899 119.639 120.500 0.063 0.000 2.750 291 R HA 0.757 5.098 4.340 0.003 0.000 0.281 291 R C -0.985 175.355 176.300 0.066 0.000 0.972 291 R CA -0.716 55.423 56.100 0.066 0.000 0.912 291 R CB 2.013 32.369 30.300 0.093 0.000 1.187 291 R HN 0.531 nan 8.270 nan 0.000 0.464 292 V N 3.917 123.848 119.914 0.030 0.000 2.555 292 V HA 0.422 4.544 4.120 0.003 0.000 0.302 292 V C -2.050 174.033 176.094 -0.018 0.000 1.038 292 V CA -2.058 60.228 62.300 -0.022 0.000 0.887 292 V CB 2.324 34.126 31.823 -0.036 0.000 0.991 292 V HN 0.628 nan 8.190 nan 0.000 0.434 293 P HA 0.151 nan 4.420 nan 0.000 0.274 293 P C -0.741 176.554 177.300 -0.009 0.000 1.231 293 P CA -0.437 62.655 63.100 -0.013 0.000 0.790 293 P CB 0.753 32.420 31.700 -0.055 0.000 0.951 294 N N 1.447 120.162 118.700 0.026 0.000 2.868 294 N HA 0.100 4.842 4.740 0.003 0.000 0.252 294 N C 0.651 176.193 175.510 0.053 0.000 1.130 294 N CA 0.218 53.288 53.050 0.034 0.000 1.026 294 N CB 0.178 38.689 38.487 0.040 0.000 1.335 294 N HN 0.513 nan 8.380 nan 0.000 0.516 295 T N -3.852 110.729 114.554 0.046 0.000 3.041 295 T HA 0.099 4.451 4.350 0.003 0.000 0.276 295 T C 1.839 176.581 174.700 0.071 0.000 0.948 295 T CA -0.017 62.121 62.100 0.065 0.000 0.885 295 T CB 0.195 69.092 68.868 0.049 0.000 1.175 295 T HN 0.226 nan 8.240 nan 0.000 0.529 296 K N 2.004 122.436 120.400 0.054 0.000 2.152 296 K HA -0.060 4.262 4.320 0.003 0.000 0.206 296 K C 1.528 178.173 176.600 0.074 0.000 1.048 296 K CA 1.808 58.124 56.287 0.049 0.000 0.933 296 K CB -0.928 31.589 32.500 0.028 0.000 0.721 296 K HN 0.532 nan 8.250 nan 0.000 0.447 297 D N -0.706 119.762 120.400 0.113 0.000 2.462 297 D HA 0.215 4.857 4.640 0.003 0.000 0.221 297 D C 0.947 177.397 176.300 0.249 0.000 1.173 297 D CA -0.155 53.937 54.000 0.153 0.000 0.831 297 D CB 0.489 41.338 40.800 0.082 0.000 1.001 297 D HN 0.325 nan 8.370 nan 0.000 0.499 298 L N -0.079 121.255 121.223 0.185 0.000 2.558 298 L HA 0.012 4.353 4.340 0.003 0.000 0.225 298 L C 0.481 177.489 176.870 0.230 0.000 1.128 298 L CA 0.178 55.120 54.840 0.169 0.000 0.868 298 L CB -0.077 42.102 42.059 0.201 0.000 1.006 298 L HN -0.136 nan 8.230 nan 0.000 0.454 299 S N -0.137 115.673 115.700 0.183 0.000 3.641 299 S HA -0.186 4.285 4.470 0.003 0.000 0.346 299 S C 1.282 175.992 174.600 0.184 0.000 1.074 299 S CA 0.237 58.538 58.200 0.169 0.000 1.026 299 S CB -1.654 61.645 63.200 0.165 0.000 0.908 299 S HN 0.364 nan 8.310 nan 0.000 0.479 300 L N 1.256 122.566 121.223 0.146 0.000 2.127 300 L HA -0.214 4.128 4.340 0.003 0.000 0.211 300 L C 2.579 179.433 176.870 -0.027 0.000 1.089 300 L CA 1.856 56.716 54.840 0.033 0.000 0.757 300 L CB -0.611 41.461 42.059 0.023 0.000 0.899 300 L HN 0.718 nan 8.230 nan 0.000 0.434 301 N N 0.720 119.428 118.700 0.012 0.000 2.364 301 N HA -0.222 4.519 4.740 0.003 0.000 0.183 301 N C 1.435 176.941 175.510 -0.006 0.000 1.022 301 N CA 1.103 54.152 53.050 -0.002 0.000 0.883 301 N CB -0.222 38.274 38.487 0.014 0.000 0.965 301 N HN 0.410 nan 8.380 nan 0.000 0.438 302 K N 0.160 120.568 120.400 0.014 0.000 2.283 302 K HA 0.090 4.411 4.320 0.003 0.000 0.202 302 K C 1.396 177.985 176.600 -0.018 0.000 1.048 302 K CA 0.673 56.972 56.287 0.019 0.000 0.948 302 K CB 0.148 32.688 32.500 0.067 0.000 0.742 302 K HN 0.256 nan 8.250 nan 0.000 0.458 303 L N -0.786 120.389 121.223 -0.079 0.000 2.858 303 L HA 0.212 4.554 4.340 0.003 0.000 0.251 303 L C 0.702 177.501 176.870 -0.118 0.000 1.149 303 L CA -0.112 54.653 54.840 -0.125 0.000 0.955 303 L CB 0.855 42.761 42.059 -0.255 0.000 1.289 303 L HN 0.290 nan 8.230 nan 0.000 0.542 304 G N 1.503 110.251 108.800 -0.087 0.000 2.198 304 G HA2 -0.294 3.667 3.960 0.003 0.000 0.260 304 G HA3 -0.294 3.667 3.960 0.003 0.000 0.260 304 G C 0.210 175.057 174.900 -0.088 0.000 1.025 304 G CA -0.057 45.000 45.100 -0.071 0.000 0.769 304 G HN 0.308 nan 8.290 nan 0.000 0.507 305 I N 0.640 121.135 120.570 -0.126 0.000 2.533 305 I HA 0.131 4.303 4.170 0.003 0.000 0.284 305 I C 1.060 177.137 176.117 -0.065 0.000 1.109 305 I CA 0.037 61.260 61.300 -0.127 0.000 1.412 305 I CB 1.023 38.901 38.000 -0.203 0.000 1.396 305 I HN 0.309 nan 8.210 nan 0.000 0.543 306 Q N 5.731 125.504 119.800 -0.046 0.000 2.314 306 Q HA 0.289 4.630 4.340 0.003 0.000 0.258 306 Q C -0.532 175.467 176.000 -0.001 0.000 0.954 306 Q CA -0.334 55.457 55.803 -0.020 0.000 0.890 306 Q CB 0.978 29.706 28.738 -0.016 0.000 1.210 306 Q HN 0.778 nan 8.270 nan 0.000 0.410 307 T N 0.053 114.612 114.554 0.008 0.000 2.901 307 T HA 0.390 4.742 4.350 0.003 0.000 0.293 307 T C -0.524 174.195 174.700 0.030 0.000 1.084 307 T CA -1.017 61.099 62.100 0.027 0.000 1.008 307 T CB 1.385 70.264 68.868 0.019 0.000 1.170 307 T HN 0.677 nan 8.240 nan 0.000 0.509 308 D N 0.102 120.535 120.400 0.056 0.000 2.414 308 D HA 0.186 4.828 4.640 0.003 0.000 0.259 308 D C 0.414 176.731 176.300 0.029 0.000 1.269 308 D CA -0.569 53.464 54.000 0.055 0.000 1.028 308 D CB 0.080 40.941 40.800 0.102 0.000 1.093 308 D HN 0.425 nan 8.370 nan 0.000 0.545 309 D N -1.013 119.402 120.400 0.026 0.000 2.310 309 D HA -0.074 4.568 4.640 0.003 0.000 0.212 309 D C 1.117 177.411 176.300 -0.011 0.000 0.965 309 D CA 0.821 54.825 54.000 0.007 0.000 0.879 309 D CB 0.026 40.831 40.800 0.009 0.000 0.921 309 D HN 0.444 nan 8.370 nan 0.000 0.510 310 K N -0.664 119.722 120.400 -0.023 0.000 2.404 310 K HA 0.194 4.516 4.320 0.003 0.000 0.194 310 K C 1.124 177.586 176.600 -0.230 0.000 1.023 310 K CA 0.400 56.620 56.287 -0.110 0.000 1.094 310 K CB 0.861 33.302 32.500 -0.100 0.000 0.841 310 K HN 0.090 nan 8.250 nan 0.000 0.523 311 G N 1.478 110.189 108.800 -0.147 0.000 2.157 311 G HA2 -0.251 3.711 3.960 0.003 0.000 0.239 311 G HA3 -0.251 3.711 3.960 0.003 0.000 0.239 311 G C -0.452 174.375 174.900 -0.121 0.000 0.982 311 G CA -0.151 44.877 45.100 -0.121 0.000 0.650 311 G HN 0.465 nan 8.290 nan 0.000 0.527 312 H N -0.023 119.059 119.070 0.020 0.000 2.848 312 H HA 0.469 5.027 4.556 0.004 0.000 0.341 312 H C 1.263 176.602 175.328 0.018 0.000 1.060 312 H CA -0.020 56.040 56.048 0.020 0.000 1.444 312 H CB 0.700 30.470 29.762 0.013 0.000 1.446 312 H HN 0.301 nan 8.280 nan 0.000 0.583 313 I N 4.129 124.791 120.570 0.154 0.000 2.533 313 I HA -0.060 4.111 4.170 0.003 0.000 0.284 313 I C 0.107 176.270 176.117 0.076 0.000 1.109 313 I CA -0.030 61.325 61.300 0.092 0.000 1.412 313 I CB 0.311 38.362 38.000 0.085 0.000 1.396 313 I HN 0.380 nan 8.210 nan 0.000 0.543 314 I N 7.466 128.063 120.570 0.046 0.000 2.474 314 I HA 0.249 4.421 4.170 0.003 0.000 0.287 314 I C 0.309 176.440 176.117 0.023 0.000 1.048 314 I CA -0.056 61.259 61.300 0.026 0.000 1.383 314 I CB 0.954 38.963 38.000 0.016 0.000 1.412 314 I HN 0.302 nan 8.210 nan 0.000 0.531 315 V N 2.595 122.517 119.914 0.014 0.000 3.130 315 V HA 0.691 4.813 4.120 0.003 0.000 0.310 315 V C -0.572 175.533 176.094 0.019 0.000 1.158 315 V CA -1.004 61.317 62.300 0.035 0.000 1.029 315 V CB 2.086 33.944 31.823 0.058 0.000 1.057 315 V HN 0.726 nan 8.190 nan 0.000 0.436 316 D N 0.719 121.154 120.400 0.059 0.000 2.478 316 D HA 0.176 4.818 4.640 0.003 0.000 0.274 316 D C 1.001 177.316 176.300 0.025 0.000 1.234 316 D CA 0.174 54.207 54.000 0.055 0.000 1.069 316 D CB 0.441 41.313 40.800 0.121 0.000 1.113 316 D HN 0.867 nan 8.370 nan 0.000 0.571 317 E N -0.982 119.196 120.200 -0.038 0.000 2.338 317 E HA -0.120 4.232 4.350 0.003 0.000 0.197 317 E C 0.880 177.330 176.600 -0.250 0.000 1.007 317 E CA 0.695 56.983 56.400 -0.188 0.000 0.849 317 E CB -0.559 28.942 29.700 -0.333 0.000 0.774 317 E HN 0.437 nan 8.360 nan 0.000 0.506 318 F N 1.042 121.040 119.950 0.080 0.000 2.641 318 F HA 0.197 4.725 4.527 0.003 0.000 0.302 318 F C 0.369 176.240 175.800 0.119 0.000 1.098 318 F CA -0.365 57.687 58.000 0.086 0.000 1.318 318 F CB 0.587 39.630 39.000 0.071 0.000 1.035 318 F HN -0.174 nan 8.300 nan 0.000 0.551 319 Q N -1.141 118.810 119.800 0.251 0.000 2.424 319 Q HA -0.211 4.131 4.340 0.003 0.000 0.234 319 Q C -0.835 175.356 176.000 0.319 0.000 0.748 319 Q CA 0.449 56.398 55.803 0.245 0.000 1.286 319 Q CB -2.444 26.436 28.738 0.237 0.000 1.494 319 Q HN 0.404 nan 8.270 nan 0.000 0.683 320 N N 2.094 120.982 118.700 0.314 0.000 2.513 320 N HA 0.126 4.867 4.740 0.003 0.000 0.268 320 N C 0.910 176.483 175.510 0.104 0.000 1.180 320 N CA 0.895 54.087 53.050 0.238 0.000 0.948 320 N CB 0.891 39.495 38.487 0.194 0.000 1.083 320 N HN 0.396 nan 8.380 nan 0.000 0.455 321 T N -0.980 113.581 114.554 0.012 0.000 2.689 321 T HA 0.022 4.374 4.350 0.003 0.000 0.308 321 T C 1.338 176.018 174.700 -0.034 0.000 1.021 321 T CA -0.518 61.569 62.100 -0.022 0.000 0.973 321 T CB 0.307 69.132 68.868 -0.072 0.000 1.113 321 T HN 0.565 nan 8.240 nan 0.000 0.522 322 N N -0.481 118.193 118.700 -0.042 0.000 2.521 322 N HA -0.009 4.733 4.740 0.003 0.000 0.188 322 N C -0.206 175.264 175.510 -0.066 0.000 1.146 322 N CA -0.011 53.015 53.050 -0.041 0.000 0.893 322 N CB -0.349 38.117 38.487 -0.034 0.000 0.975 322 N HN 0.381 nan 8.380 nan 0.000 0.451 323 V N 1.082 120.933 119.914 -0.105 0.000 2.448 323 V HA 0.203 4.325 4.120 0.003 0.000 0.295 323 V C -0.004 176.000 176.094 -0.150 0.000 1.025 323 V CA -1.031 61.194 62.300 -0.126 0.000 0.859 323 V CB 1.543 33.267 31.823 -0.167 0.000 0.988 323 V HN -0.042 nan 8.190 nan 0.000 0.431 324 K N 2.948 123.282 120.400 -0.110 0.000 2.484 324 K HA 0.394 4.716 4.320 0.003 0.000 0.280 324 K C 1.222 177.731 176.600 -0.152 0.000 1.013 324 K CA 1.296 57.521 56.287 -0.103 0.000 1.029 324 K CB 0.025 32.495 32.500 -0.051 0.000 0.902 324 K HN 1.109 nan 8.250 nan 0.000 0.481 325 G N 1.894 110.570 108.800 -0.207 0.000 2.179 325 G HA2 -0.257 3.705 3.960 0.003 0.000 0.260 325 G HA3 -0.257 3.705 3.960 0.003 0.000 0.260 325 G C 0.021 174.676 174.900 -0.409 0.000 0.977 325 G CA 0.050 45.033 45.100 -0.195 0.000 0.641 325 G HN 0.486 nan 8.290 nan 0.000 0.533 326 I N -0.115 120.058 120.570 -0.661 0.000 2.498 326 I HA 0.642 4.814 4.170 0.003 0.000 0.290 326 I C -0.292 175.389 176.117 -0.727 0.000 1.032 326 I CA -1.284 59.707 61.300 -0.515 0.000 1.073 326 I CB 1.645 39.499 38.000 -0.243 0.000 1.251 326 I HN 0.027 nan 8.210 nan 0.000 0.426 327 Y N 3.554 123.945 120.300 0.152 0.000 2.634 327 Y HA 0.868 5.420 4.550 0.003 0.000 0.340 327 Y C 0.010 175.989 175.900 0.132 0.000 1.058 327 Y CA -1.120 57.066 58.100 0.144 0.000 1.081 327 Y CB 1.979 40.549 38.460 0.183 0.000 1.295 327 Y HN 0.588 nan 8.280 nan 0.000 0.487 328 A N 0.778 123.760 122.820 0.271 0.000 2.520 328 A HA 0.844 5.166 4.320 0.003 0.000 0.298 328 A C -1.450 176.242 177.584 0.179 0.000 1.051 328 A CA -0.567 51.585 52.037 0.192 0.000 0.690 328 A CB 1.293 20.375 19.000 0.137 0.000 1.281 328 A HN 1.152 nan 8.150 nan 0.000 0.402 329 V N -0.827 119.176 119.914 0.149 0.000 3.130 329 V HA 1.016 5.138 4.120 0.003 0.000 0.310 329 V C 0.470 176.630 176.094 0.110 0.000 1.158 329 V CA 0.228 62.610 62.300 0.137 0.000 1.029 329 V CB 0.942 32.844 31.823 0.133 0.000 1.057 329 V HN 2.976 nan 8.190 nan 0.000 0.436 330 G N 1.812 110.680 108.800 0.113 0.000 2.584 330 G HA2 -0.186 3.776 3.960 0.003 0.000 0.229 330 G HA3 -0.186 3.776 3.960 0.003 0.000 0.229 330 G C -0.016 174.939 174.900 0.091 0.000 1.320 330 G CA 0.599 45.755 45.100 0.092 0.000 0.891 330 G HN 1.078 nan 8.290 nan 0.000 0.573 331 D N -0.632 119.818 120.400 0.083 0.000 2.263 331 D HA -0.016 4.625 4.640 0.003 0.000 0.208 331 D C 2.443 178.820 176.300 0.128 0.000 0.971 331 D CA 1.224 55.281 54.000 0.096 0.000 0.867 331 D CB -0.132 40.723 40.800 0.092 0.000 0.929 331 D HN 0.495 nan 8.370 nan 0.000 0.492 332 V N -0.163 119.822 119.914 0.119 0.000 2.867 332 V HA -0.205 3.917 4.120 0.003 0.000 0.260 332 V C 1.659 177.867 176.094 0.191 0.000 1.099 332 V CA 1.256 63.645 62.300 0.148 0.000 1.122 332 V CB -0.238 31.650 31.823 0.107 0.000 0.708 332 V HN 0.318 nan 8.190 nan 0.000 0.490 333 C N 0.291 119.663 119.300 0.120 0.000 2.696 333 C HA 0.484 4.946 4.460 0.003 0.000 0.264 333 C C 1.990 176.906 174.990 -0.123 0.000 1.288 333 C CA 0.140 59.191 59.018 0.054 0.000 1.717 333 C CB -0.781 26.973 27.740 0.024 0.000 1.893 333 C HN 0.822 nan 8.230 nan 0.000 0.577 334 G N 1.278 109.991 108.800 -0.146 0.000 2.159 334 G HA2 -0.275 3.687 3.960 0.003 0.000 0.256 334 G HA3 -0.275 3.687 3.960 0.003 0.000 0.256 334 G C -0.013 174.731 174.900 -0.260 0.000 0.977 334 G CA 0.550 45.368 45.100 -0.470 0.000 0.652 334 G HN 0.599 nan 8.290 nan 0.000 0.531 335 K N 0.093 120.411 120.400 -0.137 0.000 2.358 335 K HA 0.627 4.949 4.320 0.003 0.000 0.260 335 K C 0.539 177.153 176.600 0.024 0.000 0.956 335 K CA -0.043 56.179 56.287 -0.108 0.000 0.834 335 K CB 1.069 33.431 32.500 -0.229 0.000 1.102 335 K HN 1.682 nan 8.250 nan 0.000 0.431 336 A N 4.505 127.350 122.820 0.042 0.000 2.237 336 A HA -0.128 4.193 4.320 0.003 0.000 0.281 336 A C -0.369 177.264 177.584 0.082 0.000 1.414 336 A CA 0.232 52.320 52.037 0.085 0.000 0.733 336 A CB -1.911 17.200 19.000 0.185 0.000 1.168 336 A HN 0.794 nan 8.150 nan 0.000 0.347 337 L N 1.639 122.905 121.223 0.071 0.000 2.384 337 L HA 0.412 4.754 4.340 0.003 0.000 0.258 337 L C 0.186 177.108 176.870 0.087 0.000 1.266 337 L CA 0.266 55.162 54.840 0.093 0.000 1.162 337 L CB -0.531 41.605 42.059 0.129 0.000 1.375 337 L HN 0.580 nan 8.230 nan 0.000 0.420 338 L N 0.062 121.319 121.223 0.056 0.000 2.409 338 L HA 0.362 4.704 4.340 0.003 0.000 0.262 338 L C 1.181 178.068 176.870 0.028 0.000 0.992 338 L CA -0.434 54.423 54.840 0.029 0.000 0.817 338 L CB 2.287 44.338 42.059 -0.015 0.000 1.350 338 L HN 0.064 nan 8.230 nan 0.000 0.411 339 T N 0.885 115.454 114.554 0.024 0.000 2.708 339 T HA -0.064 4.288 4.350 0.003 0.000 0.266 339 T C -1.153 173.548 174.700 0.002 0.000 1.037 339 T CA 1.777 63.884 62.100 0.012 0.000 1.146 339 T CB -0.457 68.417 68.868 0.010 0.000 0.865 339 T HN 0.453 nan 8.240 nan 0.000 0.435 340 P HA 0.028 nan 4.420 nan 0.000 0.220 340 P C 1.468 178.746 177.300 -0.036 0.000 1.148 340 P CA 0.461 63.551 63.100 -0.016 0.000 0.803 340 P CB -0.100 31.588 31.700 -0.019 0.000 0.782 341 V N 0.322 120.212 119.914 -0.039 0.000 2.270 341 V HA -0.227 3.895 4.120 0.003 0.000 0.245 341 V C 2.479 178.555 176.094 -0.032 0.000 1.043 341 V CA 2.210 64.468 62.300 -0.070 0.000 1.014 341 V CB -1.709 30.093 31.823 -0.036 0.000 0.645 341 V HN 0.092 nan 8.190 nan 0.000 0.447 342 A N 0.052 122.880 122.820 0.014 0.000 1.892 342 A HA -0.230 4.091 4.320 0.003 0.000 0.218 342 A C 2.195 179.790 177.584 0.018 0.000 1.188 342 A CA 2.235 54.291 52.037 0.031 0.000 0.631 342 A CB -0.635 18.383 19.000 0.030 0.000 0.822 342 A HN 0.511 nan 8.150 nan 0.000 0.447 343 I N -0.488 120.084 120.570 0.003 0.000 2.179 343 I HA -0.289 3.883 4.170 0.003 0.000 0.242 343 I C 2.996 179.117 176.117 0.007 0.000 1.088 343 I CA 1.164 62.468 61.300 0.006 0.000 1.357 343 I CB -0.372 37.631 38.000 0.005 0.000 1.051 343 I HN 0.375 nan 8.210 nan 0.000 0.409 344 A N 0.618 123.425 122.820 -0.020 0.000 1.898 344 A HA -0.123 4.198 4.320 0.003 0.000 0.216 344 A C 2.530 180.098 177.584 -0.027 0.000 1.181 344 A CA 1.740 53.756 52.037 -0.034 0.000 0.620 344 A CB -0.839 18.111 19.000 -0.083 0.000 0.819 344 A HN 0.430 nan 8.150 nan 0.000 0.442 345 A N -0.461 122.338 122.820 -0.035 0.000 1.902 345 A HA 0.117 4.439 4.320 0.003 0.000 0.217 345 A C 2.386 180.005 177.584 0.058 0.000 1.181 345 A CA 1.926 53.972 52.037 0.015 0.000 0.623 345 A CB -1.329 17.714 19.000 0.071 0.000 0.818 345 A HN 0.714 nan 8.150 nan 0.000 0.443 346 G N -0.694 108.142 108.800 0.060 0.000 2.408 346 G HA2 -0.192 3.770 3.960 0.003 0.000 0.217 346 G HA3 -0.192 3.770 3.960 0.003 0.000 0.217 346 G C 1.781 176.727 174.900 0.076 0.000 1.150 346 G CA 0.844 45.992 45.100 0.081 0.000 0.776 346 G HN 0.564 nan 8.290 nan 0.000 0.542 347 R N 0.176 120.716 120.500 0.067 0.000 2.075 347 R HA 0.049 4.391 4.340 0.003 0.000 0.232 347 R C 2.599 178.985 176.300 0.143 0.000 1.126 347 R CA 1.005 57.160 56.100 0.092 0.000 0.963 347 R CB -0.148 30.214 30.300 0.103 0.000 0.858 347 R HN 0.148 nan 8.270 nan 0.000 0.435 348 K N 0.718 121.181 120.400 0.105 0.000 2.097 348 K HA -0.155 4.166 4.320 0.003 0.000 0.206 348 K C 2.073 178.718 176.600 0.076 0.000 1.049 348 K CA 0.891 57.241 56.287 0.105 0.000 0.933 348 K CB -0.311 32.220 32.500 0.052 0.000 0.717 348 K HN 0.099 nan 8.250 nan 0.000 0.442 349 L N 1.167 122.409 121.223 0.032 0.000 2.046 349 L HA -0.096 4.246 4.340 0.003 0.000 0.208 349 L C 2.243 179.001 176.870 -0.187 0.000 1.077 349 L CA 1.867 56.667 54.840 -0.067 0.000 0.747 349 L CB -0.752 41.284 42.059 -0.039 0.000 0.896 349 L HN 0.117 nan 8.230 nan 0.000 0.432 350 A N -1.416 121.338 122.820 -0.111 0.000 1.908 350 A HA -0.248 4.073 4.320 0.003 0.000 0.218 350 A C 2.226 179.662 177.584 -0.247 0.000 1.181 350 A CA 1.786 53.725 52.037 -0.163 0.000 0.627 350 A CB -0.983 17.955 19.000 -0.104 0.000 0.818 350 A HN 0.686 nan 8.150 nan 0.000 0.445 351 H N -1.058 117.948 119.070 -0.107 0.000 2.389 351 H HA -0.077 4.481 4.556 0.003 0.000 0.299 351 H C 2.305 177.509 175.328 -0.206 0.000 1.081 351 H CA 1.655 57.632 56.048 -0.120 0.000 1.345 351 H CB -0.116 29.609 29.762 -0.061 0.000 1.393 351 H HN 0.560 nan 8.280 nan 0.000 0.520 352 R N 0.849 121.282 120.500 -0.113 0.000 2.073 352 R HA -0.093 4.249 4.340 0.003 0.000 0.234 352 R C 2.341 178.378 176.300 -0.440 0.000 1.134 352 R CA 1.084 57.063 56.100 -0.200 0.000 0.952 352 R CB -0.115 30.101 30.300 -0.140 0.000 0.850 352 R HN 0.207 nan 8.270 nan 0.000 0.433 353 L N -0.956 119.828 121.223 -0.731 0.000 2.131 353 L HA -0.020 4.322 4.340 0.003 0.000 0.206 353 L C 1.466 177.424 176.870 -1.521 0.000 1.087 353 L CA 0.883 54.976 54.840 -1.246 0.000 0.767 353 L CB -0.083 40.822 42.059 -1.924 0.000 0.917 353 L HN 0.182 nan 8.230 nan 0.000 0.441 354 F N -1.456 118.068 119.950 -0.711 0.000 2.724 354 F HA 0.132 4.660 4.527 0.003 0.000 0.306 354 F C 2.082 177.475 175.800 -0.677 0.000 1.100 354 F CA -0.036 57.543 58.000 -0.701 0.000 1.255 354 F CB 0.185 38.891 39.000 -0.490 0.000 1.072 354 F HN -0.047 nan 8.300 nan 0.000 0.589 355 E N -1.044 118.891 120.200 -0.443 0.000 2.526 355 E HA 0.034 4.386 4.350 0.003 0.000 0.208 355 E C -0.336 176.193 176.600 -0.119 0.000 0.997 355 E CA 0.023 56.315 56.400 -0.179 0.000 0.961 355 E CB 0.247 29.981 29.700 0.057 0.000 1.030 355 E HN 0.314 nan 8.360 nan 0.000 0.483 356 Y N -0.525 119.734 120.300 -0.069 0.000 3.929 356 Y HA -0.238 4.314 4.550 0.003 0.000 0.225 356 Y C -0.430 175.439 175.900 -0.051 0.000 1.200 356 Y CA 0.377 58.431 58.100 -0.077 0.000 1.791 356 Y CB -1.743 36.688 38.460 -0.047 0.000 1.561 356 Y HN -0.038 nan 8.280 nan 0.000 0.657 357 K N 2.391 122.798 120.400 0.012 0.000 2.206 357 K HA 0.102 4.423 4.320 0.003 0.000 0.268 357 K C 1.150 177.752 176.600 0.003 0.000 1.111 357 K CA 0.052 56.356 56.287 0.028 0.000 0.955 357 K CB 0.712 33.233 32.500 0.035 0.000 1.406 357 K HN 0.548 nan 8.250 nan 0.000 0.427 358 E N 1.679 121.875 120.200 -0.007 0.000 2.268 358 E HA -0.193 4.159 4.350 0.003 0.000 0.195 358 E C 0.364 176.942 176.600 -0.036 0.000 0.995 358 E CA 1.174 57.526 56.400 -0.080 0.000 0.836 358 E CB 0.075 29.732 29.700 -0.072 0.000 0.763 358 E HN 0.475 nan 8.360 nan 0.000 0.491 359 D N 0.786 121.242 120.400 0.094 0.000 2.340 359 D HA -0.005 4.637 4.640 0.003 0.000 0.217 359 D C 0.082 176.543 176.300 0.268 0.000 1.081 359 D CA -0.260 53.886 54.000 0.242 0.000 0.842 359 D CB 0.004 40.889 40.800 0.141 0.000 0.934 359 D HN -0.036 nan 8.370 nan 0.000 0.511 360 S N 0.417 116.241 115.700 0.207 0.000 2.455 360 S HA 0.380 4.852 4.470 0.003 0.000 0.278 360 S C -0.240 174.488 174.600 0.213 0.000 1.216 360 S CA -0.543 57.745 58.200 0.147 0.000 1.055 360 S CB -0.123 63.130 63.200 0.088 0.000 0.939 360 S HN 0.456 nan 8.310 nan 0.000 0.494 361 K N 3.057 123.518 120.400 0.101 0.000 2.607 361 K HA 0.475 4.797 4.320 0.003 0.000 0.287 361 K C -1.802 174.781 176.600 -0.028 0.000 0.996 361 K CA -1.137 55.169 56.287 0.031 0.000 0.876 361 K CB 0.479 32.874 32.500 -0.176 0.000 1.496 361 K HN 0.404 nan 8.250 nan 0.000 0.415 362 L N 1.880 123.076 121.223 -0.044 0.000 2.305 362 L HA 0.326 4.668 4.340 0.003 0.000 0.281 362 L C -0.698 176.096 176.870 -0.127 0.000 1.085 362 L CA 0.297 55.048 54.840 -0.148 0.000 0.813 362 L CB 1.020 42.874 42.059 -0.340 0.000 1.157 362 L HN 0.717 nan 8.230 nan 0.000 0.436 363 D N 3.370 123.695 120.400 -0.125 0.000 2.339 363 D HA 0.012 4.654 4.640 0.003 0.000 0.256 363 D C 0.050 176.287 176.300 -0.106 0.000 1.214 363 D CA 0.302 54.270 54.000 -0.054 0.000 0.877 363 D CB 0.482 41.255 40.800 -0.044 0.000 1.111 363 D HN 0.511 nan 8.370 nan 0.000 0.478 364 Y N 2.086 122.355 120.300 -0.051 0.000 2.490 364 Y HA 0.116 4.668 4.550 0.003 0.000 0.281 364 Y C 0.782 176.658 175.900 -0.040 0.000 1.174 364 Y CA -0.267 57.806 58.100 -0.045 0.000 1.295 364 Y CB 0.017 38.447 38.460 -0.050 0.000 1.062 364 Y HN 0.256 nan 8.280 nan 0.000 0.522 365 N N 0.823 119.567 118.700 0.073 0.000 2.524 365 N HA 0.034 4.776 4.740 0.003 0.000 0.283 365 N C -0.040 175.475 175.510 0.008 0.000 1.142 365 N CA -0.011 53.061 53.050 0.037 0.000 0.984 365 N CB 0.490 38.995 38.487 0.031 0.000 1.155 365 N HN 0.275 nan 8.380 nan 0.000 0.467 366 N N -0.441 118.263 118.700 0.008 0.000 2.747 366 N HA -0.184 4.557 4.740 0.003 0.000 0.249 366 N C -0.854 174.643 175.510 -0.021 0.000 1.107 366 N CA 0.155 53.204 53.050 -0.002 0.000 0.707 366 N CB -1.171 37.321 38.487 0.008 0.000 1.054 366 N HN 0.526 nan 8.380 nan 0.000 0.555 367 I N 1.638 122.189 120.570 -0.031 0.000 2.471 367 I HA 0.207 4.379 4.170 0.003 0.000 0.286 367 I C -1.595 174.493 176.117 -0.049 0.000 1.079 367 I CA -1.493 59.778 61.300 -0.050 0.000 1.398 367 I CB 0.480 38.447 38.000 -0.056 0.000 1.403 367 I HN -0.082 nan 8.210 nan 0.000 0.530 368 P HA 0.241 nan 4.420 nan 0.000 0.281 368 P C -0.615 176.646 177.300 -0.066 0.000 1.249 368 P CA -0.338 62.735 63.100 -0.045 0.000 0.810 368 P CB 1.801 33.485 31.700 -0.025 0.000 1.008 369 T N 0.109 114.619 114.554 -0.074 0.000 2.894 369 T HA 0.441 4.793 4.350 0.003 0.000 0.309 369 T C -1.432 173.200 174.700 -0.113 0.000 1.208 369 T CA -0.478 61.559 62.100 -0.105 0.000 1.016 369 T CB 1.076 69.864 68.868 -0.133 0.000 1.192 369 T HN 0.078 nan 8.240 nan 0.000 0.491 370 V N 3.625 123.414 119.914 -0.208 0.000 2.555 370 V HA 0.652 4.774 4.120 0.003 0.000 0.302 370 V C -0.359 175.460 176.094 -0.457 0.000 1.038 370 V CA -0.632 61.436 62.300 -0.387 0.000 0.887 370 V CB 1.948 33.404 31.823 -0.612 0.000 0.991 370 V HN 0.764 nan 8.190 nan 0.000 0.434 371 V N 4.798 124.453 119.914 -0.432 0.000 2.417 371 V HA 0.408 4.529 4.120 0.003 0.000 0.291 371 V C -0.417 175.358 176.094 -0.532 0.000 1.024 371 V CA -0.394 61.708 62.300 -0.330 0.000 0.861 371 V CB 1.408 33.118 31.823 -0.188 0.000 0.985 371 V HN 0.732 nan 8.190 nan 0.000 0.436 372 F N 3.136 122.891 119.950 -0.325 0.000 2.669 372 F HA 0.298 4.827 4.527 0.003 0.000 0.353 372 F C 1.267 176.875 175.800 -0.320 0.000 1.192 372 F CA 0.364 57.943 58.000 -0.702 0.000 1.317 372 F CB 0.346 38.604 39.000 -1.236 0.000 1.652 372 F HN 0.522 nan 8.300 nan 0.000 0.608 373 S N 0.246 115.892 115.700 -0.090 0.000 2.632 373 S HA 0.311 4.782 4.470 0.003 0.000 0.267 373 S C -0.199 174.350 174.600 -0.084 0.000 1.193 373 S CA -0.419 57.775 58.200 -0.010 0.000 1.003 373 S CB 0.449 63.646 63.200 -0.005 0.000 1.073 373 S HN 0.400 nan 8.310 nan 0.000 0.553 374 H N 1.618 120.824 119.070 0.226 0.000 2.866 374 H HA 0.370 4.927 4.556 0.003 0.000 0.287 374 H C -2.425 172.964 175.328 0.102 0.000 1.106 374 H CA -1.518 54.636 56.048 0.178 0.000 1.396 374 H CB 0.953 30.768 29.762 0.089 0.000 1.469 374 H HN 0.460 nan 8.280 nan 0.000 0.500 375 P HA 0.176 nan 4.420 nan 0.000 0.276 375 P C -2.680 174.677 177.300 0.094 0.000 1.261 375 P CA -1.755 61.434 63.100 0.150 0.000 0.800 375 P CB 0.551 32.319 31.700 0.114 0.000 1.066 376 P HA 0.251 nan 4.420 nan 0.000 0.274 376 P C -0.364 176.871 177.300 -0.108 0.000 1.237 376 P CA 0.165 63.218 63.100 -0.079 0.000 0.793 376 P CB 0.644 32.247 31.700 -0.162 0.000 0.977 377 I N 0.499 120.954 120.570 -0.192 0.000 2.412 377 I HA 0.553 4.725 4.170 0.003 0.000 0.296 377 I C 0.820 176.854 176.117 -0.138 0.000 0.987 377 I CA -0.361 60.863 61.300 -0.125 0.000 1.180 377 I CB 1.937 39.863 38.000 -0.124 0.000 1.340 377 I HN 0.357 nan 8.210 nan 0.000 0.455 378 G N 2.386 111.155 108.800 -0.052 0.000 2.542 378 G HA2 0.634 4.596 3.960 0.003 0.000 0.311 378 G HA3 0.634 4.596 3.960 0.003 0.000 0.311 378 G C -1.263 173.659 174.900 0.036 0.000 1.298 378 G CA -0.372 44.706 45.100 -0.037 0.000 0.973 378 G HN 0.467 nan 8.290 nan 0.000 0.487 379 T N -0.541 114.037 114.554 0.041 0.000 2.956 379 T HA 0.638 4.990 4.350 0.003 0.000 0.312 379 T C -1.665 173.020 174.700 -0.025 0.000 1.151 379 T CA -0.474 61.661 62.100 0.058 0.000 1.024 379 T CB 1.889 70.893 68.868 0.226 0.000 1.140 379 T HN 1.118 nan 8.240 nan 0.000 0.473 380 V N 3.953 123.812 119.914 -0.091 0.000 2.932 380 V HA 0.832 4.954 4.120 0.003 0.000 0.307 380 V C 0.369 176.414 176.094 -0.081 0.000 1.147 380 V CA 1.073 63.335 62.300 -0.064 0.000 0.951 380 V CB 1.150 32.956 31.823 -0.028 0.000 1.031 380 V HN 1.775 nan 8.190 nan 0.000 0.426 381 G N 4.667 113.456 108.800 -0.019 0.000 2.584 381 G HA2 -0.149 3.813 3.960 0.003 0.000 0.229 381 G HA3 -0.149 3.813 3.960 0.003 0.000 0.229 381 G C -0.690 174.261 174.900 0.085 0.000 1.320 381 G CA -0.166 44.945 45.100 0.017 0.000 0.891 381 G HN 1.210 nan 8.290 nan 0.000 0.573 382 L N 1.593 122.887 121.223 0.118 0.000 2.371 382 L HA 0.475 4.817 4.340 0.003 0.000 0.272 382 L C 1.810 178.829 176.870 0.248 0.000 1.124 382 L CA -0.114 54.815 54.840 0.148 0.000 0.816 382 L CB 1.069 43.217 42.059 0.148 0.000 1.129 382 L HN 1.049 nan 8.230 nan 0.000 0.448 383 T N -2.032 112.582 114.554 0.099 0.000 2.802 383 T HA -0.017 4.335 4.350 0.003 0.000 0.305 383 T C 0.994 175.716 174.700 0.037 0.000 1.053 383 T CA -0.320 61.743 62.100 -0.063 0.000 1.058 383 T CB 1.079 69.861 68.868 -0.144 0.000 0.988 383 T HN 0.788 nan 8.240 nan 0.000 0.539 384 E N 0.479 120.675 120.200 -0.007 0.000 2.058 384 E HA -0.237 4.114 4.350 0.003 0.000 0.194 384 E C 1.395 178.018 176.600 0.038 0.000 0.997 384 E CA 1.748 58.168 56.400 0.034 0.000 0.801 384 E CB -0.152 29.554 29.700 0.010 0.000 0.746 384 E HN 0.722 nan 8.360 nan 0.000 0.450 385 D N 0.352 120.759 120.400 0.012 0.000 2.144 385 D HA -0.151 4.490 4.640 0.003 0.000 0.199 385 D C 1.785 178.120 176.300 0.058 0.000 0.984 385 D CA 1.032 55.047 54.000 0.026 0.000 0.834 385 D CB -0.181 40.617 40.800 -0.003 0.000 0.955 385 D HN 0.363 nan 8.370 nan 0.000 0.465 386 E N 0.669 120.899 120.200 0.050 0.000 2.077 386 E HA -0.119 4.233 4.350 0.003 0.000 0.193 386 E C 2.115 178.790 176.600 0.126 0.000 0.989 386 E CA 1.016 57.462 56.400 0.077 0.000 0.800 386 E CB -0.028 29.700 29.700 0.046 0.000 0.746 386 E HN 0.186 nan 8.360 nan 0.000 0.452 387 A N 1.052 123.961 122.820 0.148 0.000 1.898 387 A HA -0.164 4.158 4.320 0.003 0.000 0.216 387 A C 2.169 179.891 177.584 0.229 0.000 1.181 387 A CA 1.033 53.218 52.037 0.246 0.000 0.620 387 A CB -0.561 18.572 19.000 0.223 0.000 0.819 387 A HN 0.138 nan 8.150 nan 0.000 0.442 388 I N -1.270 119.387 120.570 0.146 0.000 2.208 388 I HA -0.293 3.879 4.170 0.003 0.000 0.245 388 I C 2.519 178.697 176.117 0.101 0.000 1.097 388 I CA 1.906 63.275 61.300 0.115 0.000 1.363 388 I CB -0.450 37.598 38.000 0.079 0.000 1.051 388 I HN 0.575 nan 8.210 nan 0.000 0.413 389 H N 1.183 120.264 119.070 0.019 0.000 2.353 389 H HA -0.205 4.353 4.556 0.003 0.000 0.300 389 H C 2.226 177.526 175.328 -0.047 0.000 1.090 389 H CA 2.039 58.079 56.048 -0.013 0.000 1.327 389 H CB 0.040 29.788 29.762 -0.022 0.000 1.383 389 H HN 0.138 nan 8.280 nan 0.000 0.508 390 K N -0.961 119.342 120.400 -0.162 0.000 2.031 390 K HA -0.129 4.193 4.320 0.003 0.000 0.205 390 K C 1.264 177.606 176.600 -0.429 0.000 1.049 390 K CA 1.563 57.626 56.287 -0.373 0.000 0.939 390 K CB -0.065 32.149 32.500 -0.476 0.000 0.717 390 K HN 0.380 nan 8.250 nan 0.000 0.438 391 Y N -0.449 119.814 120.300 -0.062 0.000 2.497 391 Y HA 0.262 4.814 4.550 0.003 0.000 0.265 391 Y C 0.668 176.539 175.900 -0.050 0.000 1.111 391 Y CA 0.220 58.292 58.100 -0.047 0.000 1.288 391 Y CB 1.243 39.690 38.460 -0.022 0.000 1.082 391 Y HN 0.265 nan 8.280 nan 0.000 0.536 392 G N 0.767 109.609 108.800 0.069 0.000 2.788 392 G HA2 -0.231 3.731 3.960 0.003 0.000 0.686 392 G HA3 -0.231 3.731 3.960 0.003 0.000 0.686 392 G C 0.290 175.222 174.900 0.054 0.000 1.147 392 G CA -0.215 44.907 45.100 0.036 0.000 0.755 392 G HN 0.325 nan 8.290 nan 0.000 0.634 393 I N 0.410 120.999 120.570 0.033 0.000 2.361 393 I HA -0.099 4.073 4.170 0.003 0.000 0.251 393 I C 2.222 178.347 176.117 0.013 0.000 1.133 393 I CA 1.784 63.099 61.300 0.025 0.000 1.413 393 I CB 0.051 38.062 38.000 0.018 0.000 1.073 393 I HN 0.644 nan 8.210 nan 0.000 0.424 394 E N 0.816 121.024 120.200 0.012 0.000 2.418 394 E HA -0.089 4.263 4.350 0.003 0.000 0.197 394 E C 0.742 177.342 176.600 -0.000 0.000 1.026 394 E CA 0.559 56.961 56.400 0.003 0.000 0.862 394 E CB -0.287 29.415 29.700 0.003 0.000 0.799 394 E HN 0.630 nan 8.360 nan 0.000 0.518 395 N N 0.194 118.903 118.700 0.014 0.000 2.234 395 N HA 0.074 4.816 4.740 0.003 0.000 0.227 395 N C -0.480 175.008 175.510 -0.036 0.000 1.151 395 N CA 0.077 53.128 53.050 0.001 0.000 0.865 395 N CB 1.902 40.413 38.487 0.040 0.000 1.066 395 N HN -0.122 nan 8.380 nan 0.000 0.515 396 V N 0.880 120.779 119.914 -0.025 0.000 2.604 396 V HA 0.374 4.496 4.120 0.003 0.000 0.305 396 V C -0.170 175.886 176.094 -0.063 0.000 1.043 396 V CA -0.814 61.459 62.300 -0.046 0.000 0.888 396 V CB 2.818 34.644 31.823 0.006 0.000 0.995 396 V HN -0.048 nan 8.190 nan 0.000 0.429 397 K N 2.535 122.881 120.400 -0.090 0.000 2.443 397 K HA 0.711 5.033 4.320 0.003 0.000 0.252 397 K C -0.476 176.018 176.600 -0.177 0.000 0.933 397 K CA -0.368 55.824 56.287 -0.158 0.000 0.792 397 K CB 2.008 34.392 32.500 -0.193 0.000 1.185 397 K HN 0.893 nan 8.250 nan 0.000 0.425 398 T N 0.160 114.578 114.554 -0.227 0.000 2.888 398 T HA 0.499 4.850 4.350 0.003 0.000 0.284 398 T C -0.868 173.630 174.700 -0.335 0.000 1.017 398 T CA -0.541 61.463 62.100 -0.159 0.000 1.022 398 T CB 0.647 69.479 68.868 -0.060 0.000 1.013 398 T HN 0.379 nan 8.240 nan 0.000 0.465 399 Y N 0.889 121.167 120.300 -0.035 0.000 2.446 399 Y HA 0.659 5.211 4.550 0.003 0.000 0.345 399 Y C 0.563 176.455 175.900 -0.012 0.000 0.984 399 Y CA -0.582 57.501 58.100 -0.029 0.000 1.058 399 Y CB 2.529 40.958 38.460 -0.051 0.000 1.220 399 Y HN 1.133 nan 8.280 nan 0.000 0.455 400 S N 0.464 116.253 115.700 0.148 0.000 2.588 400 S HA 0.832 5.304 4.470 0.003 0.000 0.269 400 S C -1.085 173.584 174.600 0.114 0.000 1.157 400 S CA -0.789 57.476 58.200 0.109 0.000 0.824 400 S CB 2.294 65.539 63.200 0.074 0.000 1.126 400 S HN 0.644 nan 8.310 nan 0.000 0.464 401 T N 0.036 114.667 114.554 0.128 0.000 2.843 401 T HA 0.774 5.126 4.350 0.003 0.000 0.302 401 T C -1.687 173.124 174.700 0.185 0.000 1.232 401 T CA -0.324 61.875 62.100 0.166 0.000 1.009 401 T CB 1.800 70.785 68.868 0.195 0.000 1.254 401 T HN 1.108 nan 8.240 nan 0.000 0.504 402 S N 1.807 117.632 115.700 0.208 0.000 2.548 402 S HA 0.869 5.341 4.470 0.003 0.000 0.276 402 S C -1.588 173.173 174.600 0.268 0.000 1.129 402 S CA -0.681 57.607 58.200 0.147 0.000 0.931 402 S CB 0.407 63.649 63.200 0.070 0.000 1.068 402 S HN 0.694 nan 8.310 nan 0.000 0.480 403 F N 0.057 120.044 119.950 0.061 0.000 2.741 403 F HA 0.692 5.221 4.527 0.003 0.000 0.313 403 F C -0.806 175.047 175.800 0.088 0.000 1.153 403 F CA -0.920 57.122 58.000 0.070 0.000 0.931 403 F CB 0.983 40.027 39.000 0.074 0.000 1.335 403 F HN 0.284 nan 8.300 nan 0.000 0.460 404 T N 2.751 117.453 114.554 0.247 0.000 2.733 404 T HA 0.460 4.811 4.350 0.003 0.000 0.294 404 T C -2.653 172.264 174.700 0.362 0.000 0.956 404 T CA -1.076 61.137 62.100 0.189 0.000 0.987 404 T CB 0.811 69.777 68.868 0.163 0.000 0.920 404 T HN 0.321 nan 8.240 nan 0.000 0.470 405 P HA 0.030 nan 4.420 nan 0.000 0.265 405 P C 1.061 178.562 177.300 0.336 0.000 1.187 405 P CA -0.116 63.233 63.100 0.416 0.000 0.766 405 P CB 0.454 32.339 31.700 0.309 0.000 0.820 406 M N 3.304 123.069 119.600 0.274 0.000 2.446 406 M HA -0.202 4.279 4.480 0.003 0.000 0.263 406 M C 1.487 177.883 176.300 0.159 0.000 1.066 406 M CA 1.507 56.917 55.300 0.183 0.000 1.087 406 M CB -0.524 32.156 32.600 0.134 0.000 1.406 406 M HN 0.364 nan 8.290 nan 0.000 0.459 407 Y N 0.966 121.311 120.300 0.076 0.000 2.139 407 Y HA -0.321 4.231 4.550 0.003 0.000 0.282 407 Y C 1.792 177.724 175.900 0.053 0.000 1.179 407 Y CA 2.188 60.311 58.100 0.038 0.000 1.161 407 Y CB -0.553 37.830 38.460 -0.128 0.000 0.970 407 Y HN 0.395 nan 8.280 nan 0.000 0.511 408 H N -0.429 118.689 119.070 0.081 0.000 2.533 408 H HA 0.300 4.858 4.556 0.003 0.000 0.271 408 H C 2.129 177.431 175.328 -0.043 0.000 1.000 408 H CA 0.503 56.549 56.048 -0.003 0.000 1.149 408 H CB -0.268 29.574 29.762 0.134 0.000 1.375 408 H HN 0.530 nan 8.280 nan 0.000 0.582 409 A N 1.019 123.867 122.820 0.046 0.000 2.024 409 A HA -0.122 4.200 4.320 0.003 0.000 0.220 409 A C 2.276 179.817 177.584 -0.073 0.000 1.164 409 A CA 1.858 53.900 52.037 0.009 0.000 0.643 409 A CB -0.490 18.517 19.000 0.011 0.000 0.806 409 A HN 0.304 nan 8.150 nan 0.000 0.451 410 V N -2.853 116.944 119.914 -0.194 0.000 3.578 410 V HA 0.250 4.372 4.120 0.003 0.000 0.290 410 V C 0.595 176.524 176.094 -0.276 0.000 1.376 410 V CA 0.654 62.776 62.300 -0.296 0.000 1.083 410 V CB -0.915 30.607 31.823 -0.502 0.000 0.911 410 V HN 0.538 nan 8.190 nan 0.000 0.433 411 T N -2.841 111.628 114.554 -0.142 0.000 2.918 411 T HA 0.493 4.845 4.350 0.003 0.000 0.286 411 T C 0.474 175.186 174.700 0.021 0.000 1.026 411 T CA -0.559 61.526 62.100 -0.026 0.000 1.031 411 T CB 2.300 71.245 68.868 0.128 0.000 1.046 411 T HN 0.192 nan 8.240 nan 0.000 0.479 412 K N -0.019 120.399 120.400 0.029 0.000 2.186 412 K HA 0.091 4.412 4.320 0.003 0.000 0.202 412 K C 1.315 177.922 176.600 0.013 0.000 1.052 412 K CA 0.266 56.562 56.287 0.016 0.000 0.965 412 K CB 0.136 32.644 32.500 0.013 0.000 0.746 412 K HN 0.487 nan 8.250 nan 0.000 0.457 413 R N 1.725 122.253 120.500 0.047 0.000 2.490 413 R HA 0.058 4.400 4.340 0.003 0.000 0.280 413 R C -0.705 175.527 176.300 -0.114 0.000 1.077 413 R CA 0.122 56.231 56.100 0.015 0.000 1.065 413 R CB 0.538 30.900 30.300 0.104 0.000 1.003 413 R HN -0.206 nan 8.270 nan 0.000 0.470 414 K N 2.144 122.395 120.400 -0.248 0.000 2.426 414 K HA 0.342 4.663 4.320 0.003 0.000 0.251 414 K C -0.810 175.518 176.600 -0.453 0.000 0.941 414 K CA -0.706 55.259 56.287 -0.536 0.000 0.808 414 K CB 2.247 34.601 32.500 -0.243 0.000 1.265 414 K HN 0.859 nan 8.250 nan 0.000 0.432 415 T N -1.983 112.237 114.554 -0.557 0.000 2.906 415 T HA 0.533 4.885 4.350 0.003 0.000 0.295 415 T C -0.413 174.270 174.700 -0.028 0.000 1.075 415 T CA -0.882 61.157 62.100 -0.101 0.000 1.005 415 T CB 2.542 71.482 68.868 0.119 0.000 1.136 415 T HN 0.472 nan 8.240 nan 0.000 0.498 416 K N -0.235 120.146 120.400 -0.032 0.000 2.168 416 K HA 0.678 5.000 4.320 0.003 0.000 0.239 416 K C -1.271 175.229 176.600 -0.167 0.000 0.999 416 K CA -0.942 55.291 56.287 -0.089 0.000 0.900 416 K CB 1.783 34.236 32.500 -0.078 0.000 1.111 416 K HN 0.806 nan 8.250 nan 0.000 0.452 417 C N 3.353 122.409 119.300 -0.408 0.000 2.369 417 C HA 0.681 5.142 4.460 0.003 0.000 0.322 417 C C -0.988 173.756 174.990 -0.410 0.000 1.258 417 C CA -0.436 58.270 59.018 -0.520 0.000 1.487 417 C CB 0.041 27.169 27.740 -1.019 0.000 2.165 417 C HN 0.534 nan 8.230 nan 0.000 0.483 418 V N 5.042 124.855 119.914 -0.169 0.000 2.680 418 V HA 0.807 4.929 4.120 0.003 0.000 0.309 418 V C -0.634 175.467 176.094 0.011 0.000 1.052 418 V CA -0.648 61.624 62.300 -0.047 0.000 0.908 418 V CB 1.674 33.486 31.823 -0.018 0.000 1.001 418 V HN 0.952 nan 8.190 nan 0.000 0.431 419 M N 3.837 123.477 119.600 0.067 0.000 2.386 419 M HA 0.618 5.100 4.480 0.003 0.000 0.293 419 M C -0.971 175.375 176.300 0.076 0.000 1.120 419 M CA -0.481 54.862 55.300 0.071 0.000 0.909 419 M CB 2.851 35.506 32.600 0.092 0.000 1.661 419 M HN 0.848 nan 8.290 nan 0.000 0.452 420 K N 3.361 123.805 120.400 0.073 0.000 2.482 420 K HA 0.665 4.986 4.320 0.003 0.000 0.251 420 K C -1.941 174.686 176.600 0.046 0.000 0.936 420 K CA -0.541 55.801 56.287 0.093 0.000 0.791 420 K CB 2.480 35.069 32.500 0.148 0.000 1.213 420 K HN 0.891 nan 8.250 nan 0.000 0.428 421 M N 5.362 124.982 119.600 0.034 0.000 2.227 421 M HA 0.331 4.813 4.480 0.003 0.000 0.335 421 M C -1.631 174.688 176.300 0.031 0.000 1.053 421 M CA -0.814 54.463 55.300 -0.039 0.000 0.973 421 M CB 1.550 34.083 32.600 -0.112 0.000 1.623 421 M HN 0.335 nan 8.290 nan 0.000 0.434 422 V N 5.040 124.956 119.914 0.003 0.000 2.370 422 V HA 0.419 4.541 4.120 0.003 0.000 0.283 422 V C -0.554 175.524 176.094 -0.027 0.000 1.023 422 V CA -0.587 61.728 62.300 0.025 0.000 0.857 422 V CB 1.042 32.918 31.823 0.089 0.000 0.985 422 V HN 0.968 nan 8.190 nan 0.000 0.443 423 C N 4.289 123.571 119.300 -0.031 0.000 2.456 423 C HA 0.919 5.380 4.460 0.003 0.000 0.325 423 C C 0.580 175.479 174.990 -0.152 0.000 1.217 423 C CA -0.671 58.304 59.018 -0.072 0.000 1.687 423 C CB 0.978 28.728 27.740 0.017 0.000 2.270 423 C HN 0.990 nan 8.230 nan 0.000 0.499 424 A N 3.624 126.284 122.820 -0.266 0.000 2.350 424 A HA 0.848 5.170 4.320 0.003 0.000 0.324 424 A C -0.237 177.156 177.584 -0.318 0.000 1.118 424 A CA -0.303 51.447 52.037 -0.477 0.000 0.783 424 A CB 0.389 18.686 19.000 -1.173 0.000 1.236 424 A HN 1.140 nan 8.150 nan 0.000 0.457 425 N N -0.157 118.401 118.700 -0.237 0.000 6.535 425 N HA -0.196 4.546 4.740 0.003 0.000 0.409 425 N C 0.791 176.260 175.510 -0.069 0.000 0.975 425 N CA 0.781 53.761 53.050 -0.116 0.000 1.813 425 N CB -0.128 38.299 38.487 -0.101 0.000 0.751 425 N HN 0.849 nan 8.380 nan 0.000 0.467 426 K N 1.484 121.862 120.400 -0.036 0.000 2.063 426 K HA -0.233 4.089 4.320 0.003 0.000 0.208 426 K C 1.561 178.151 176.600 -0.017 0.000 1.048 426 K CA 2.213 58.488 56.287 -0.019 0.000 0.928 426 K CB -0.151 32.344 32.500 -0.008 0.000 0.713 426 K HN 0.628 nan 8.250 nan 0.000 0.442 427 E N 0.455 120.641 120.200 -0.023 0.000 2.482 427 E HA -0.097 4.255 4.350 0.003 0.000 0.196 427 E C -0.609 175.977 176.600 -0.024 0.000 1.047 427 E CA 0.342 56.732 56.400 -0.017 0.000 0.869 427 E CB -0.162 29.529 29.700 -0.014 0.000 0.836 427 E HN 0.235 nan 8.360 nan 0.000 0.520 428 E N 1.246 121.422 120.200 -0.040 0.000 2.252 428 E HA -0.222 4.130 4.350 0.003 0.000 0.218 428 E C -0.575 175.986 176.600 -0.065 0.000 1.253 428 E CA 0.431 56.806 56.400 -0.040 0.000 0.705 428 E CB -1.116 28.593 29.700 0.014 0.000 1.172 428 E HN 0.352 nan 8.360 nan 0.000 0.369 429 K N 0.915 121.263 120.400 -0.088 0.000 2.484 429 K HA 0.099 4.421 4.320 0.003 0.000 0.280 429 K C -0.025 176.515 176.600 -0.099 0.000 1.013 429 K CA -0.092 56.149 56.287 -0.077 0.000 1.029 429 K CB 0.693 33.143 32.500 -0.083 0.000 0.902 429 K HN -0.003 nan 8.250 nan 0.000 0.481 430 V N 6.917 126.782 119.914 -0.081 0.000 2.370 430 V HA -0.019 4.102 4.120 0.003 0.000 0.257 430 V C 1.030 177.093 176.094 -0.051 0.000 1.064 430 V CA -0.101 62.128 62.300 -0.119 0.000 0.975 430 V CB 0.596 32.289 31.823 -0.216 0.000 1.067 430 V HN 0.762 nan 8.190 nan 0.000 0.485 431 V N 2.091 121.974 119.914 -0.051 0.000 3.660 431 V HA 0.651 4.773 4.120 0.003 0.000 0.276 431 V C 0.760 176.864 176.094 0.017 0.000 1.317 431 V CA 0.700 63.006 62.300 0.011 0.000 1.097 431 V CB 0.125 31.978 31.823 0.050 0.000 0.863 431 V HN 0.766 nan 8.190 nan 0.000 0.438 432 G N -0.028 108.748 108.800 -0.039 0.000 2.742 432 G HA2 0.711 4.672 3.960 0.003 0.000 0.296 432 G HA3 0.711 4.672 3.960 0.003 0.000 0.296 432 G C -1.686 173.021 174.900 -0.322 0.000 1.436 432 G CA -0.661 44.358 45.100 -0.135 0.000 0.928 432 G HN 0.165 nan 8.290 nan 0.000 0.520 433 I N 1.847 122.079 120.570 -0.563 0.000 2.533 433 I HA 0.453 4.624 4.170 0.003 0.000 0.290 433 I C -1.079 174.598 176.117 -0.733 0.000 1.056 433 I CA -0.899 60.112 61.300 -0.481 0.000 1.057 433 I CB 2.547 40.416 38.000 -0.219 0.000 1.240 433 I HN 0.418 nan 8.210 nan 0.000 0.423 434 H N 7.734 126.796 119.070 -0.014 0.000 2.759 434 H HA 0.706 5.264 4.556 0.003 0.000 0.354 434 H C -0.958 174.369 175.328 -0.001 0.000 1.074 434 H CA -0.722 55.331 56.048 0.009 0.000 1.226 434 H CB 2.204 31.982 29.762 0.028 0.000 1.648 434 H HN 0.599 nan 8.280 nan 0.000 0.529 435 M N 1.027 120.682 119.600 0.092 0.000 2.603 435 M HA 0.507 4.989 4.480 0.003 0.000 0.275 435 M C -1.798 174.513 176.300 0.019 0.000 1.226 435 M CA -0.910 54.414 55.300 0.039 0.000 0.870 435 M CB 3.631 36.232 32.600 0.003 0.000 1.716 435 M HN 0.442 nan 8.290 nan 0.000 0.482 436 Q N 0.808 120.605 119.800 -0.006 0.000 2.315 436 Q HA 0.809 5.151 4.340 0.003 0.000 0.273 436 Q C -1.269 174.709 176.000 -0.037 0.000 1.053 436 Q CA -0.218 55.571 55.803 -0.024 0.000 0.817 436 Q CB 2.814 31.536 28.738 -0.028 0.000 1.326 436 Q HN 1.258 nan 8.270 nan 0.000 0.423 437 G N 1.840 110.631 108.800 -0.014 0.000 2.347 437 G HA2 0.145 4.107 3.960 0.003 0.000 0.303 437 G HA3 0.145 4.107 3.960 0.003 0.000 0.303 437 G C -1.559 173.368 174.900 0.044 0.000 1.481 437 G CA -1.112 43.981 45.100 -0.011 0.000 0.914 437 G HN 0.625 nan 8.290 nan 0.000 0.638 438 L N 1.163 122.425 121.223 0.064 0.000 2.578 438 L HA 0.306 4.647 4.340 0.003 0.000 0.279 438 L C 1.824 178.748 176.870 0.090 0.000 1.227 438 L CA 1.876 56.762 54.840 0.076 0.000 0.900 438 L CB 0.446 42.527 42.059 0.036 0.000 1.144 438 L HN 2.052 nan 8.230 nan 0.000 0.496 439 G N 1.542 110.408 108.800 0.109 0.000 2.225 439 G HA2 -0.296 3.665 3.960 0.003 0.000 0.254 439 G HA3 -0.296 3.665 3.960 0.003 0.000 0.254 439 G C 0.871 175.832 174.900 0.101 0.000 0.988 439 G CA 0.219 45.387 45.100 0.113 0.000 0.625 439 G HN 0.718 nan 8.290 nan 0.000 0.527 440 C N 2.039 121.383 119.300 0.073 0.000 2.432 440 C HA 0.043 4.505 4.460 0.003 0.000 0.280 440 C C 2.745 177.732 174.990 -0.006 0.000 1.353 440 C CA 1.336 60.376 59.018 0.038 0.000 1.766 440 C CB -0.776 26.968 27.740 0.007 0.000 1.924 440 C HN 0.781 nan 8.230 nan 0.000 0.509 441 D N 1.135 121.517 120.400 -0.031 0.000 2.123 441 D HA -0.179 4.463 4.640 0.003 0.000 0.196 441 D C 1.520 177.822 176.300 0.004 0.000 0.992 441 D CA 1.447 55.384 54.000 -0.105 0.000 0.833 441 D CB -0.554 40.199 40.800 -0.078 0.000 0.954 441 D HN 0.441 nan 8.370 nan 0.000 0.455 442 E N -0.505 119.738 120.200 0.071 0.000 2.447 442 E HA 0.092 4.444 4.350 0.003 0.000 0.195 442 E C 1.960 178.607 176.600 0.079 0.000 1.028 442 E CA -0.147 56.300 56.400 0.078 0.000 0.876 442 E CB 0.136 29.892 29.700 0.093 0.000 0.885 442 E HN 0.409 nan 8.360 nan 0.000 0.500 443 M N 0.317 119.978 119.600 0.103 0.000 2.349 443 M HA -0.049 4.433 4.480 0.003 0.000 0.266 443 M C 1.932 178.374 176.300 0.237 0.000 1.076 443 M CA 0.607 56.010 55.300 0.171 0.000 1.126 443 M CB 0.186 32.900 32.600 0.192 0.000 1.392 443 M HN 0.096 nan 8.290 nan 0.000 0.440 444 L N 0.661 121.977 121.223 0.155 0.000 2.109 444 L HA -0.157 4.185 4.340 0.003 0.000 0.207 444 L C 2.282 179.237 176.870 0.142 0.000 1.086 444 L CA 1.831 56.773 54.840 0.169 0.000 0.760 444 L CB -0.759 41.333 42.059 0.055 0.000 0.910 444 L HN 0.333 nan 8.230 nan 0.000 0.437 445 Q N -0.237 119.601 119.800 0.063 0.000 2.077 445 Q HA -0.162 4.180 4.340 0.003 0.000 0.206 445 Q C 2.102 178.095 176.000 -0.012 0.000 0.989 445 Q CA 2.321 58.136 55.803 0.020 0.000 0.853 445 Q CB -0.939 27.800 28.738 0.003 0.000 0.907 445 Q HN 0.533 nan 8.270 nan 0.000 0.418 446 G N -1.305 107.451 108.800 -0.074 0.000 2.408 446 G HA2 -0.214 3.748 3.960 0.003 0.000 0.217 446 G HA3 -0.214 3.748 3.960 0.003 0.000 0.217 446 G C 1.084 175.832 174.900 -0.254 0.000 1.150 446 G CA 0.642 45.620 45.100 -0.203 0.000 0.776 446 G HN 0.412 nan 8.290 nan 0.000 0.542 447 F N 1.633 121.553 119.950 -0.049 0.000 2.216 447 F HA 0.044 4.572 4.527 0.003 0.000 0.300 447 F C 3.014 178.820 175.800 0.010 0.000 1.085 447 F CA 0.783 58.767 58.000 -0.027 0.000 1.326 447 F CB -0.026 38.998 39.000 0.039 0.000 1.027 447 F HN 0.232 nan 8.300 nan 0.000 0.497 448 A N -0.120 122.786 122.820 0.143 0.000 1.933 448 A HA -0.118 4.204 4.320 0.003 0.000 0.218 448 A C 2.313 179.918 177.584 0.036 0.000 1.175 448 A CA 1.709 53.791 52.037 0.075 0.000 0.628 448 A CB -1.148 17.874 19.000 0.037 0.000 0.814 448 A HN 0.172 nan 8.150 nan 0.000 0.444 449 V N -0.073 119.839 119.914 -0.004 0.000 2.295 449 V HA -0.273 3.849 4.120 0.003 0.000 0.246 449 V C 3.063 179.150 176.094 -0.012 0.000 1.049 449 V CA 1.976 64.261 62.300 -0.025 0.000 1.024 449 V CB -1.296 30.490 31.823 -0.062 0.000 0.648 449 V HN 0.617 nan 8.190 nan 0.000 0.447 450 A N -0.240 122.570 122.820 -0.017 0.000 1.883 450 A HA -0.175 4.147 4.320 0.003 0.000 0.217 450 A C 2.404 180.051 177.584 0.105 0.000 1.186 450 A CA 2.192 54.239 52.037 0.017 0.000 0.624 450 A CB -0.741 18.230 19.000 -0.049 0.000 0.822 450 A HN 0.336 nan 8.150 nan 0.000 0.444 451 V N 0.107 120.107 119.914 0.143 0.000 2.343 451 V HA -0.251 3.871 4.120 0.003 0.000 0.247 451 V C 2.555 178.690 176.094 0.069 0.000 1.051 451 V CA 2.449 64.825 62.300 0.126 0.000 1.036 451 V CB -0.631 31.260 31.823 0.114 0.000 0.654 451 V HN 0.650 nan 8.190 nan 0.000 0.451 452 K N 0.020 120.447 120.400 0.044 0.000 2.152 452 K HA -0.104 4.218 4.320 0.003 0.000 0.206 452 K C 1.874 178.486 176.600 0.021 0.000 1.048 452 K CA 1.677 57.977 56.287 0.022 0.000 0.933 452 K CB -0.284 32.218 32.500 0.004 0.000 0.721 452 K HN 0.415 nan 8.250 nan 0.000 0.447 453 M N -0.963 118.651 119.600 0.024 0.000 2.618 453 M HA 0.123 4.604 4.480 0.003 0.000 0.240 453 M C 0.678 176.998 176.300 0.032 0.000 1.123 453 M CA 0.801 56.112 55.300 0.020 0.000 1.060 453 M CB 0.425 33.031 32.600 0.011 0.000 1.535 453 M HN 0.418 nan 8.290 nan 0.000 0.507 454 G N 1.186 110.014 108.800 0.048 0.000 2.149 454 G HA2 -0.182 3.780 3.960 0.003 0.000 0.235 454 G HA3 -0.182 3.780 3.960 0.003 0.000 0.235 454 G C 0.152 175.091 174.900 0.065 0.000 1.018 454 G CA -0.022 45.108 45.100 0.049 0.000 0.728 454 G HN 0.710 nan 8.290 nan 0.000 0.508 455 A N 0.099 122.983 122.820 0.107 0.000 2.555 455 A HA 0.608 4.930 4.320 0.003 0.000 0.233 455 A C 1.157 178.818 177.584 0.129 0.000 1.060 455 A CA 1.508 53.643 52.037 0.163 0.000 0.759 455 A CB 0.177 19.371 19.000 0.325 0.000 0.995 455 A HN 1.977 nan 8.150 nan 0.000 0.506 456 T N -0.739 113.883 114.554 0.113 0.000 2.937 456 T HA 0.470 4.822 4.350 0.003 0.000 0.283 456 T C 0.962 175.684 174.700 0.037 0.000 1.012 456 T CA -0.229 61.895 62.100 0.041 0.000 0.997 456 T CB 1.177 70.058 68.868 0.022 0.000 1.136 456 T HN 0.566 nan 8.240 nan 0.000 0.551 457 K N 0.832 121.188 120.400 -0.074 0.000 2.103 457 K HA 0.025 4.346 4.320 0.003 0.000 0.207 457 K C 2.284 178.875 176.600 -0.015 0.000 1.048 457 K CA 1.934 58.133 56.287 -0.147 0.000 0.930 457 K CB -1.188 31.184 32.500 -0.213 0.000 0.716 457 K HN 0.728 nan 8.250 nan 0.000 0.444 458 A N 0.945 123.771 122.820 0.010 0.000 1.933 458 A HA -0.169 4.152 4.320 0.003 0.000 0.218 458 A C 1.733 179.363 177.584 0.075 0.000 1.175 458 A CA 1.947 54.002 52.037 0.030 0.000 0.628 458 A CB -0.622 18.389 19.000 0.018 0.000 0.814 458 A HN 0.456 nan 8.150 nan 0.000 0.444 459 D N -0.864 119.610 120.400 0.123 0.000 2.144 459 D HA -0.114 4.528 4.640 0.003 0.000 0.199 459 D C 1.552 177.953 176.300 0.170 0.000 0.984 459 D CA 1.067 55.145 54.000 0.130 0.000 0.834 459 D CB -0.336 40.548 40.800 0.141 0.000 0.955 459 D HN 0.455 nan 8.370 nan 0.000 0.465 460 F N 1.697 121.646 119.950 -0.001 0.000 2.113 460 F HA -0.100 4.429 4.527 0.003 0.000 0.297 460 F C 2.155 177.951 175.800 -0.007 0.000 1.103 460 F CA 0.878 58.890 58.000 0.020 0.000 1.248 460 F CB -0.419 38.592 39.000 0.018 0.000 0.999 460 F HN -0.137 nan 8.300 nan 0.000 0.475 461 D N -0.517 119.976 120.400 0.155 0.000 2.269 461 D HA -0.100 4.542 4.640 0.003 0.000 0.208 461 D C 1.546 177.868 176.300 0.038 0.000 0.963 461 D CA 0.612 54.648 54.000 0.061 0.000 0.864 461 D CB -0.503 40.301 40.800 0.006 0.000 0.936 461 D HN 0.217 nan 8.370 nan 0.000 0.505 462 N N 0.140 118.862 118.700 0.037 0.000 2.573 462 N HA -0.048 4.694 4.740 0.003 0.000 0.187 462 N C -0.034 175.475 175.510 -0.002 0.000 1.107 462 N CA 0.508 53.566 53.050 0.013 0.000 0.918 462 N CB 0.076 38.569 38.487 0.010 0.000 0.966 462 N HN 0.067 nan 8.380 nan 0.000 0.448 463 T N 1.061 115.613 114.554 -0.004 0.000 2.744 463 T HA 0.307 4.659 4.350 0.003 0.000 0.291 463 T C 0.440 175.133 174.700 -0.012 0.000 0.957 463 T CA -0.548 61.534 62.100 -0.031 0.000 1.002 463 T CB 2.105 70.927 68.868 -0.077 0.000 0.919 463 T HN -0.262 nan 8.240 nan 0.000 0.468 464 V N 3.254 123.158 119.914 -0.016 0.000 2.740 464 V HA 0.335 4.457 4.120 0.003 0.000 0.303 464 V C 1.038 177.133 176.094 0.002 0.000 1.054 464 V CA -0.573 61.722 62.300 -0.007 0.000 1.106 464 V CB 0.338 32.155 31.823 -0.010 0.000 0.957 464 V HN 1.093 nan 8.190 nan 0.000 0.486 465 A N 5.931 128.759 122.820 0.014 0.000 2.406 465 A HA 0.574 4.896 4.320 0.003 0.000 0.243 465 A C -0.230 177.380 177.584 0.044 0.000 1.082 465 A CA -0.231 51.826 52.037 0.034 0.000 0.786 465 A CB 0.008 19.026 19.000 0.030 0.000 1.029 465 A HN 0.737 nan 8.150 nan 0.000 0.495 466 I N 1.155 121.765 120.570 0.066 0.000 2.339 466 I HA 0.326 4.498 4.170 0.003 0.000 0.290 466 I C -0.239 175.955 176.117 0.128 0.000 0.994 466 I CA -0.138 61.208 61.300 0.077 0.000 1.191 466 I CB 1.280 39.311 38.000 0.051 0.000 1.343 466 I HN 0.806 nan 8.210 nan 0.000 0.458 467 H N 7.168 126.246 119.070 0.014 0.000 2.572 467 H HA 0.633 5.190 4.556 0.003 0.000 0.359 467 H C -2.596 172.744 175.328 0.020 0.000 1.134 467 H CA -1.907 54.149 56.048 0.014 0.000 1.187 467 H CB 1.853 31.619 29.762 0.005 0.000 1.597 467 H HN 0.312 nan 8.280 nan 0.000 0.524 468 P HA 0.293 nan 4.420 nan 0.000 0.297 468 P C -1.252 175.981 177.300 -0.111 0.000 1.331 468 P CA -0.584 62.202 63.100 -0.524 0.000 0.803 468 P CB 1.259 32.606 31.700 -0.588 0.000 0.929 469 T N -2.010 112.550 114.554 0.011 0.000 2.841 469 T HA 0.354 4.706 4.350 0.003 0.000 0.296 469 T C 0.837 175.604 174.700 0.112 0.000 1.166 469 T CA -0.557 61.585 62.100 0.070 0.000 1.007 469 T CB 1.230 70.148 68.868 0.082 0.000 1.253 469 T HN -0.045 nan 8.240 nan 0.000 0.511 470 S N 0.719 116.528 115.700 0.181 0.000 2.406 470 S HA -0.079 4.393 4.470 0.003 0.000 0.228 470 S C 2.331 177.064 174.600 0.223 0.000 1.020 470 S CA 1.398 59.769 58.200 0.283 0.000 0.965 470 S CB -0.605 62.824 63.200 0.382 0.000 0.798 470 S HN 0.948 nan 8.310 nan 0.000 0.488 471 S N 2.656 118.470 115.700 0.191 0.000 2.400 471 S HA -0.221 4.251 4.470 0.003 0.000 0.232 471 S C 1.738 176.456 174.600 0.197 0.000 1.025 471 S CA 1.309 59.640 58.200 0.218 0.000 0.993 471 S CB -0.670 62.675 63.200 0.242 0.000 0.808 471 S HN 0.811 nan 8.310 nan 0.000 0.478 472 E N 1.195 121.477 120.200 0.137 0.000 2.265 472 E HA -0.182 4.170 4.350 0.003 0.000 0.196 472 E C 1.555 178.196 176.600 0.069 0.000 0.996 472 E CA 1.103 57.567 56.400 0.107 0.000 0.832 472 E CB -0.351 29.402 29.700 0.089 0.000 0.756 472 E HN 0.469 nan 8.360 nan 0.000 0.491 473 E N 0.791 121.009 120.200 0.029 0.000 2.153 473 E HA -0.146 4.206 4.350 0.003 0.000 0.194 473 E C 1.941 178.565 176.600 0.040 0.000 0.988 473 E CA 0.572 56.962 56.400 -0.016 0.000 0.811 473 E CB -0.176 29.464 29.700 -0.100 0.000 0.746 473 E HN 0.290 nan 8.360 nan 0.000 0.466 474 L N 0.638 121.896 121.223 0.058 0.000 2.376 474 L HA -0.069 4.272 4.340 0.003 0.000 0.219 474 L C 1.921 178.896 176.870 0.175 0.000 1.133 474 L CA 0.889 55.742 54.840 0.022 0.000 0.816 474 L CB 0.047 41.951 42.059 -0.258 0.000 0.933 474 L HN 0.017 nan 8.230 nan 0.000 0.449 475 V N -5.193 114.836 119.914 0.191 0.000 3.376 475 V HA 0.249 4.371 4.120 0.003 0.000 0.313 475 V C 1.079 177.225 176.094 0.087 0.000 1.393 475 V CA 0.697 63.119 62.300 0.203 0.000 1.125 475 V CB -0.359 31.570 31.823 0.177 0.000 1.037 475 V HN 0.392 nan 8.190 nan 0.000 0.440 476 T N 0.579 115.157 114.554 0.040 0.000 3.337 476 T HA 0.442 4.794 4.350 0.003 0.000 0.299 476 T C 0.155 174.842 174.700 -0.020 0.000 0.998 476 T CA -0.278 61.822 62.100 -0.001 0.000 0.948 476 T CB -0.483 68.379 68.868 -0.011 0.000 1.170 476 T HN 0.418 nan 8.240 nan 0.000 0.508 477 L N 2.214 123.413 121.223 -0.041 0.000 2.426 477 L HA 0.549 4.890 4.340 0.003 0.000 0.271 477 L C 0.814 177.636 176.870 -0.080 0.000 1.169 477 L CA -0.234 54.581 54.840 -0.041 0.000 0.836 477 L CB 0.589 42.609 42.059 -0.065 0.000 1.112 477 L HN 0.173 nan 8.230 nan 0.000 0.465 478 R N 0.000 120.530 120.500 0.050 0.000 2.786 478 R HA 0.000 4.342 4.340 0.003 0.000 0.208 478 R CA 0.000 56.160 56.100 0.100 0.000 0.921 478 R CB 0.000 30.333 30.300 0.055 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535