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 1xnw_1_E DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYIVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.330 176.300 0.050 0.000 2.045 10 D CA 0.000 54.033 54.000 0.055 0.000 0.868 10 D CB 0.000 40.843 40.800 0.072 0.000 0.688 11 I N -1.070 119.550 120.570 0.084 0.000 4.738 11 I HA 0.154 4.324 4.170 0.000 0.000 0.315 11 I C 0.410 176.487 176.117 -0.068 0.000 1.214 11 I CA -0.060 61.234 61.300 -0.011 0.000 1.337 11 I CB 0.219 38.180 38.000 -0.066 0.000 1.433 11 I HN 0.283 nan 8.210 nan 0.000 0.472 12 H N 1.611 120.675 119.070 -0.010 0.000 2.562 12 H HA 0.109 4.665 4.556 0.000 0.000 0.272 12 H C 0.174 175.496 175.328 -0.010 0.000 1.019 12 H CA 0.917 56.959 56.048 -0.010 0.000 1.160 12 H CB -0.467 29.290 29.762 -0.008 0.000 1.334 12 H HN 0.269 nan 8.280 nan 0.000 0.611 13 T N -3.537 111.061 114.554 0.075 0.000 2.859 13 T HA 0.185 4.535 4.350 0.000 0.000 0.281 13 T C 1.416 176.122 174.700 0.011 0.000 1.005 13 T CA -0.673 61.452 62.100 0.042 0.000 1.025 13 T CB 1.992 70.883 68.868 0.039 0.000 0.977 13 T HN 0.002 nan 8.240 nan 0.000 0.458 14 T N 2.273 116.831 114.554 0.006 0.000 2.624 14 T HA -0.214 4.136 4.350 0.000 0.000 0.268 14 T C 2.399 177.095 174.700 -0.006 0.000 1.041 14 T CA 1.940 64.037 62.100 -0.004 0.000 1.159 14 T CB -0.808 68.059 68.868 -0.002 0.000 0.863 14 T HN 0.859 nan 8.240 nan 0.000 0.434 15 A N 1.076 123.897 122.820 0.000 0.000 1.978 15 A HA 0.057 4.377 4.320 0.000 0.000 0.220 15 A C 2.563 180.146 177.584 -0.002 0.000 1.170 15 A CA 1.925 53.962 52.037 0.000 0.000 0.636 15 A CB -1.174 17.829 19.000 0.005 0.000 0.810 15 A HN 0.558 nan 8.150 nan 0.000 0.448 16 G N -0.874 107.925 108.800 -0.002 0.000 2.494 16 G HA2 -0.083 3.877 3.960 0.000 0.000 0.216 16 G HA3 -0.083 3.877 3.960 0.000 0.000 0.216 16 G C 1.621 176.506 174.900 -0.026 0.000 1.140 16 G CA 0.776 45.872 45.100 -0.007 0.000 0.801 16 G HN 0.555 nan 8.290 nan 0.000 0.536 17 K N 0.015 120.395 120.400 -0.034 0.000 2.057 17 K HA 0.088 4.408 4.320 0.000 0.000 0.206 17 K C 2.397 178.968 176.600 -0.048 0.000 1.050 17 K CA 0.764 57.020 56.287 -0.052 0.000 0.935 17 K CB -0.231 32.239 32.500 -0.051 0.000 0.715 17 K HN 0.271 nan 8.250 nan 0.000 0.439 18 L N 0.169 121.374 121.223 -0.031 0.000 2.072 18 L HA -0.081 4.259 4.340 0.000 0.000 0.205 18 L C 2.593 179.450 176.870 -0.021 0.000 1.079 18 L CA 0.988 55.814 54.840 -0.025 0.000 0.752 18 L CB -0.736 41.316 42.059 -0.012 0.000 0.906 18 L HN 0.141 nan 8.230 nan 0.000 0.436 19 A N 0.422 123.233 122.820 -0.015 0.000 1.940 19 A HA -0.292 4.028 4.320 0.000 0.000 0.219 19 A C 1.972 179.547 177.584 -0.015 0.000 1.176 19 A CA 2.227 54.259 52.037 -0.008 0.000 0.631 19 A CB -0.642 18.356 19.000 -0.003 0.000 0.814 19 A HN 0.465 nan 8.150 nan 0.000 0.446 20 D N -0.506 119.875 120.400 -0.032 0.000 2.097 20 D HA -0.149 4.491 4.640 0.000 0.000 0.197 20 D C 1.803 178.066 176.300 -0.062 0.000 0.984 20 D CA 1.383 55.356 54.000 -0.045 0.000 0.826 20 D CB -0.246 40.514 40.800 -0.066 0.000 0.973 20 D HN 0.266 nan 8.370 nan 0.000 0.460 21 L N 0.837 122.009 121.223 -0.085 0.000 2.042 21 L HA -0.082 4.258 4.340 0.000 0.000 0.210 21 L C 2.238 179.087 176.870 -0.035 0.000 1.076 21 L CA 1.778 56.548 54.840 -0.116 0.000 0.749 21 L CB -0.693 41.312 42.059 -0.090 0.000 0.893 21 L HN -0.030 nan 8.230 nan 0.000 0.432 22 R N -0.675 119.824 120.500 -0.002 0.000 2.120 22 R HA -0.179 4.161 4.340 0.000 0.000 0.234 22 R C 2.554 178.882 176.300 0.047 0.000 1.123 22 R CA 1.460 57.578 56.100 0.030 0.000 0.975 22 R CB -0.195 30.119 30.300 0.023 0.000 0.866 22 R HN 0.476 nan 8.270 nan 0.000 0.446 23 R N 0.265 120.783 120.500 0.032 0.000 2.062 23 R HA -0.085 4.255 4.340 0.000 0.000 0.229 23 R C 2.095 178.449 176.300 0.091 0.000 1.128 23 R CA 1.260 57.391 56.100 0.052 0.000 0.960 23 R CB -0.017 30.302 30.300 0.030 0.000 0.855 23 R HN 0.118 nan 8.270 nan 0.000 0.432 24 R N 0.883 121.421 120.500 0.064 0.000 2.081 24 R HA -0.111 4.229 4.340 0.000 0.000 0.235 24 R C 2.420 178.876 176.300 0.259 0.000 1.131 24 R CA 1.963 58.146 56.100 0.138 0.000 0.960 24 R CB -0.704 29.489 30.300 -0.178 0.000 0.856 24 R HN 0.464 nan 8.270 nan 0.000 0.436 25 I N -0.811 119.895 120.570 0.227 0.000 2.567 25 I HA -0.162 4.008 4.170 0.000 0.000 0.257 25 I C 1.903 178.119 176.117 0.165 0.000 1.184 25 I CA 1.470 62.931 61.300 0.268 0.000 1.451 25 I CB -0.158 37.952 38.000 0.183 0.000 1.089 25 I HN 0.010 nan 8.210 nan 0.000 0.441 26 E N 1.937 122.236 120.200 0.165 0.000 2.028 26 E HA -0.215 4.135 4.350 0.000 0.000 0.191 26 E C 2.030 178.766 176.600 0.227 0.000 0.988 26 E CA 1.842 58.352 56.400 0.184 0.000 0.799 26 E CB -0.105 29.707 29.700 0.187 0.000 0.755 26 E HN 0.636 nan 8.360 nan 0.000 0.447 27 E N 0.012 120.353 120.200 0.235 0.000 2.110 27 E HA -0.131 4.219 4.350 0.000 0.000 0.193 27 E C 1.915 178.655 176.600 0.233 0.000 0.988 27 E CA 1.129 57.660 56.400 0.218 0.000 0.804 27 E CB -0.284 29.511 29.700 0.159 0.000 0.745 27 E HN 0.339 nan 8.360 nan 0.000 0.458 28 A N 0.908 123.927 122.820 0.331 0.000 1.849 28 A HA -0.292 4.028 4.320 0.000 0.000 0.217 28 A C 2.517 180.132 177.584 0.052 0.000 1.202 28 A CA 2.774 54.966 52.037 0.257 0.000 0.629 28 A CB -1.586 17.526 19.000 0.187 0.000 0.834 28 A HN 0.439 nan 8.150 nan 0.000 0.447 29 T N -3.653 110.849 114.554 -0.088 0.000 3.007 29 T HA -0.115 4.235 4.350 0.000 0.000 0.270 29 T C 0.794 175.291 174.700 -0.337 0.000 1.107 29 T CA 1.468 63.414 62.100 -0.257 0.000 1.118 29 T CB -0.475 68.157 68.868 -0.393 0.000 0.889 29 T HN 0.553 nan 8.240 nan 0.000 0.506 30 H N 0.213 119.317 119.070 0.058 0.000 2.505 30 H HA 0.701 5.257 4.556 0.000 0.000 0.260 30 H C 1.585 176.924 175.328 0.019 0.000 1.232 30 H CA -0.188 55.880 56.048 0.032 0.000 0.991 30 H CB 0.088 29.869 29.762 0.032 0.000 1.729 30 H HN 0.444 nan 8.280 nan 0.000 0.561 31 A N 0.976 123.846 122.820 0.083 0.000 1.858 31 A HA -0.006 4.314 4.320 0.000 0.000 0.216 31 A C 1.869 179.446 177.584 -0.012 0.000 1.190 31 A CA 1.161 53.221 52.037 0.037 0.000 0.617 31 A CB -0.766 18.255 19.000 0.035 0.000 0.827 31 A HN 0.498 nan 8.150 nan 0.000 0.443 32 G N -0.672 108.121 108.800 -0.011 0.000 2.712 32 G HA2 0.372 4.332 3.960 0.000 0.000 0.258 32 G HA3 0.372 4.332 3.960 0.000 0.000 0.258 32 G C 0.332 175.210 174.900 -0.037 0.000 1.241 32 G CA 0.417 45.486 45.100 -0.050 0.000 0.923 32 G HN 1.019 nan 8.290 nan 0.000 0.548 33 S N -1.224 114.443 115.700 -0.055 0.000 2.578 33 S HA 0.547 5.017 4.470 0.000 0.000 0.283 33 S C 1.381 175.969 174.600 -0.020 0.000 1.195 33 S CA 0.167 58.343 58.200 -0.041 0.000 1.050 33 S CB 1.724 64.892 63.200 -0.053 0.000 1.012 33 S HN 1.280 nan 8.310 nan 0.000 0.511 34 A N 2.771 125.582 122.820 -0.015 0.000 1.948 34 A HA -0.152 4.168 4.320 0.000 0.000 0.220 34 A C 2.325 179.912 177.584 0.006 0.000 1.177 34 A CA 1.227 53.261 52.037 -0.005 0.000 0.636 34 A CB -0.651 18.340 19.000 -0.015 0.000 0.815 34 A HN 0.751 nan 8.150 nan 0.000 0.449 35 R N -0.553 119.947 120.500 -0.000 0.000 2.092 35 R HA -0.037 4.303 4.340 0.000 0.000 0.231 35 R C 2.435 178.744 176.300 0.015 0.000 1.119 35 R CA 1.441 57.546 56.100 0.008 0.000 0.970 35 R CB -1.178 29.123 30.300 0.002 0.000 0.864 35 R HN 0.549 nan 8.270 nan 0.000 0.440 36 A N 0.274 123.095 122.820 0.003 0.000 1.873 36 A HA -0.098 4.222 4.320 0.000 0.000 0.215 36 A C 2.439 180.030 177.584 0.012 0.000 1.186 36 A CA 1.527 53.572 52.037 0.013 0.000 0.616 36 A CB -0.664 18.324 19.000 -0.021 0.000 0.823 36 A HN 0.093 nan 8.150 nan 0.000 0.442 37 V N 0.307 120.210 119.914 -0.018 0.000 2.282 37 V HA -0.329 3.791 4.120 0.000 0.000 0.249 37 V C 2.440 178.489 176.094 -0.075 0.000 1.057 37 V CA 2.444 64.692 62.300 -0.087 0.000 1.032 37 V CB -0.977 30.821 31.823 -0.041 0.000 0.645 37 V HN 0.632 nan 8.190 nan 0.000 0.447 38 E N -0.030 120.195 120.200 0.042 0.000 2.058 38 E HA -0.269 4.081 4.350 0.000 0.000 0.194 38 E C 2.324 178.975 176.600 0.086 0.000 0.997 38 E CA 1.530 57.992 56.400 0.104 0.000 0.801 38 E CB -0.184 29.560 29.700 0.074 0.000 0.746 38 E HN 0.610 nan 8.360 nan 0.000 0.450 39 K N 0.508 120.940 120.400 0.055 0.000 2.032 39 K HA -0.247 4.073 4.320 0.000 0.000 0.209 39 K C 2.288 178.916 176.600 0.047 0.000 1.048 39 K CA 1.523 57.845 56.287 0.058 0.000 0.927 39 K CB -0.157 32.388 32.500 0.076 0.000 0.712 39 K HN -0.039 nan 8.250 nan 0.000 0.441 40 Q N 0.736 120.548 119.800 0.021 0.000 2.061 40 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 40 Q C 1.706 177.708 176.000 0.003 0.000 0.984 40 Q CA 1.869 57.659 55.803 -0.023 0.000 0.846 40 Q CB -0.262 28.424 28.738 -0.088 0.000 0.902 40 Q HN 0.528 nan 8.270 nan 0.000 0.421 41 H N -1.038 118.049 119.070 0.027 0.000 2.321 41 H HA -0.022 4.534 4.556 0.000 0.000 0.300 41 H C 1.834 177.168 175.328 0.009 0.000 1.087 41 H CA 0.778 56.836 56.048 0.016 0.000 1.319 41 H CB -0.072 29.701 29.762 0.018 0.000 1.379 41 H HN 0.450 nan 8.280 nan 0.000 0.501 42 A N 1.262 124.169 122.820 0.144 0.000 1.997 42 A HA -0.232 4.088 4.320 0.000 0.000 0.221 42 A C 1.874 179.487 177.584 0.049 0.000 1.172 42 A CA 1.760 53.842 52.037 0.076 0.000 0.645 42 A CB -0.288 18.747 19.000 0.058 0.000 0.813 42 A HN 0.386 nan 8.150 nan 0.000 0.454 43 K N -1.699 118.725 120.400 0.041 0.000 2.458 43 K HA 0.260 4.580 4.320 0.000 0.000 0.194 43 K C 1.275 177.888 176.600 0.020 0.000 1.024 43 K CA 0.443 56.739 56.287 0.015 0.000 1.108 43 K CB -0.015 32.474 32.500 -0.018 0.000 0.846 43 K HN 0.646 nan 8.250 nan 0.000 0.518 44 G N 1.846 110.674 108.800 0.047 0.000 2.336 44 G HA2 -0.327 3.633 3.960 0.000 0.000 0.233 44 G HA3 -0.327 3.633 3.960 0.000 0.000 0.233 44 G C 0.037 174.976 174.900 0.065 0.000 1.053 44 G CA -0.049 45.078 45.100 0.046 0.000 0.625 44 G HN 0.288 nan 8.290 nan 0.000 0.511 45 K N 0.348 120.775 120.400 0.046 0.000 2.455 45 K HA 0.401 4.721 4.320 0.000 0.000 0.269 45 K C 0.472 177.128 176.600 0.093 0.000 0.972 45 K CA 0.284 56.592 56.287 0.035 0.000 0.938 45 K CB 0.477 32.967 32.500 -0.015 0.000 0.931 45 K HN 0.307 nan 8.250 nan 0.000 0.507 46 L N 0.117 121.380 121.223 0.066 0.000 2.347 46 L HA 0.322 4.662 4.340 0.000 0.000 0.268 46 L C 0.601 177.471 176.870 0.001 0.000 1.019 46 L CA -0.579 54.316 54.840 0.092 0.000 0.806 46 L CB 1.533 43.636 42.059 0.073 0.000 1.339 46 L HN 0.788 nan 8.230 nan 0.000 0.463 47 T N -2.356 112.191 114.554 -0.010 0.000 2.934 47 T HA 0.526 4.876 4.350 0.000 0.000 0.283 47 T C 1.067 175.760 174.700 -0.011 0.000 1.005 47 T CA -0.157 61.920 62.100 -0.039 0.000 1.041 47 T CB 1.506 70.341 68.868 -0.056 0.000 1.042 47 T HN 0.643 nan 8.240 nan 0.000 0.505 48 A N 1.999 124.819 122.820 0.001 0.000 1.896 48 A HA -0.222 4.098 4.320 0.000 0.000 0.220 48 A C 2.489 180.037 177.584 -0.060 0.000 1.206 48 A CA 2.020 54.055 52.037 -0.003 0.000 0.647 48 A CB -0.922 18.091 19.000 0.021 0.000 0.828 48 A HN 0.936 nan 8.150 nan 0.000 0.455 49 R N -0.705 119.749 120.500 -0.076 0.000 2.148 49 R HA -0.077 4.263 4.340 0.000 0.000 0.227 49 R C 2.085 178.305 176.300 -0.133 0.000 1.103 49 R CA 1.246 57.257 56.100 -0.148 0.000 0.983 49 R CB -0.307 29.917 30.300 -0.127 0.000 0.874 49 R HN 0.716 nan 8.270 nan 0.000 0.451 50 E N 0.627 120.793 120.200 -0.057 0.000 2.077 50 E HA -0.169 4.181 4.350 0.000 0.000 0.193 50 E C 2.071 178.645 176.600 -0.044 0.000 0.989 50 E CA 1.039 57.424 56.400 -0.024 0.000 0.800 50 E CB 0.027 29.754 29.700 0.045 0.000 0.746 50 E HN 0.297 nan 8.360 nan 0.000 0.452 51 R N 0.430 120.902 120.500 -0.047 0.000 2.075 51 R HA -0.054 4.286 4.340 0.000 0.000 0.232 51 R C 2.429 178.678 176.300 -0.086 0.000 1.126 51 R CA 0.941 57.014 56.100 -0.046 0.000 0.963 51 R CB -0.236 30.046 30.300 -0.031 0.000 0.858 51 R HN 0.165 nan 8.270 nan 0.000 0.435 52 I N 0.847 121.326 120.570 -0.153 0.000 2.142 52 I HA -0.299 3.871 4.170 0.000 0.000 0.240 52 I C 2.014 177.999 176.117 -0.221 0.000 1.078 52 I CA 1.686 62.845 61.300 -0.235 0.000 1.343 52 I CB -0.350 37.363 38.000 -0.479 0.000 1.046 52 I HN 0.178 nan 8.210 nan 0.000 0.405 53 D N 0.844 121.105 120.400 -0.231 0.000 2.228 53 D HA -0.219 4.421 4.640 0.000 0.000 0.203 53 D C 2.189 178.444 176.300 -0.076 0.000 0.988 53 D CA 1.134 55.044 54.000 -0.150 0.000 0.864 53 D CB -0.019 40.712 40.800 -0.115 0.000 0.928 53 D HN 0.259 nan 8.370 nan 0.000 0.469 54 L N -0.586 120.600 121.223 -0.062 0.000 2.179 54 L HA -0.035 4.305 4.340 0.000 0.000 0.208 54 L C 1.937 178.794 176.870 -0.022 0.000 1.096 54 L CA 0.238 55.060 54.840 -0.030 0.000 0.779 54 L CB -0.038 42.011 42.059 -0.017 0.000 0.922 54 L HN 0.198 nan 8.230 nan 0.000 0.443 55 L N -0.493 120.712 121.223 -0.031 0.000 2.051 55 L HA 0.046 4.386 4.340 0.000 0.000 0.202 55 L C 0.984 177.852 176.870 -0.003 0.000 1.097 55 L CA 1.093 55.924 54.840 -0.015 0.000 0.762 55 L CB -0.303 41.745 42.059 -0.018 0.000 0.913 55 L HN -0.097 nan 8.230 nan 0.000 0.447 56 L N 0.989 122.217 121.223 0.007 0.000 2.492 56 L HA 0.003 4.343 4.340 0.000 0.000 0.280 56 L C 0.096 176.987 176.870 0.035 0.000 1.240 56 L CA -0.441 54.426 54.840 0.046 0.000 0.831 56 L CB -0.411 41.712 42.059 0.106 0.000 1.100 56 L HN 0.274 nan 8.230 nan 0.000 0.505 57 D N 0.714 121.142 120.400 0.047 0.000 2.362 57 D HA -0.040 4.600 4.640 0.000 0.000 0.238 57 D C 0.212 176.536 176.300 0.041 0.000 1.212 57 D CA 0.007 54.028 54.000 0.034 0.000 0.902 57 D CB 0.480 41.302 40.800 0.036 0.000 1.180 57 D HN 0.483 nan 8.370 nan 0.000 0.445 58 E N -0.083 120.134 120.200 0.027 0.000 2.292 58 E HA 0.211 4.561 4.350 0.000 0.000 0.265 58 E C 0.729 177.352 176.600 0.039 0.000 1.093 58 E CA 0.214 56.631 56.400 0.028 0.000 0.922 58 E CB -0.289 29.421 29.700 0.016 0.000 1.001 58 E HN 0.645 nan 8.360 nan 0.000 0.444 59 G N 3.268 112.100 108.800 0.054 0.000 2.175 59 G HA2 -0.346 3.614 3.960 0.000 0.000 0.244 59 G HA3 -0.346 3.614 3.960 0.000 0.000 0.244 59 G C 0.840 175.778 174.900 0.064 0.000 0.982 59 G CA 0.578 45.711 45.100 0.055 0.000 0.641 59 G HN 0.715 nan 8.290 nan 0.000 0.527 60 S N -0.826 114.926 115.700 0.088 0.000 2.478 60 S HA 0.399 4.869 4.470 0.000 0.000 0.222 60 S C 0.953 175.606 174.600 0.088 0.000 1.008 60 S CA 0.336 58.593 58.200 0.094 0.000 0.928 60 S CB 0.088 63.354 63.200 0.110 0.000 0.781 60 S HN 1.046 nan 8.310 nan 0.000 0.518 61 F N 2.982 122.902 119.950 -0.050 0.000 2.607 61 F HA 0.411 4.938 4.527 0.000 0.000 0.374 61 F C -0.414 175.256 175.800 -0.218 0.000 1.104 61 F CA -0.427 57.504 58.000 -0.117 0.000 1.296 61 F CB 0.637 39.582 39.000 -0.093 0.000 1.085 61 F HN -0.076 nan 8.300 nan 0.000 0.584 62 V N 6.818 125.949 119.914 -1.305 0.000 2.501 62 V HA 0.122 4.242 4.120 0.000 0.000 0.277 62 V C -0.323 174.893 176.094 -1.464 0.000 1.004 62 V CA -0.919 60.647 62.300 -1.223 0.000 0.862 62 V CB 1.181 32.250 31.823 -1.256 0.000 1.035 62 V HN 0.789 nan 8.190 nan 0.000 0.448 63 E N 4.683 124.060 120.200 -1.372 0.000 2.392 63 E HA 0.417 4.767 4.350 0.000 0.000 0.264 63 E C -1.136 175.149 176.600 -0.525 0.000 1.024 63 E CA -0.129 55.767 56.400 -0.840 0.000 0.903 63 E CB 0.806 30.291 29.700 -0.359 0.000 0.963 63 E HN 0.580 nan 8.360 nan 0.000 0.432 64 L N 3.640 124.646 121.223 -0.362 0.000 2.362 64 L HA 0.292 4.632 4.340 0.000 0.000 0.271 64 L C -0.542 176.202 176.870 -0.211 0.000 1.002 64 L CA -0.941 53.732 54.840 -0.278 0.000 0.818 64 L CB 1.733 43.650 42.059 -0.237 0.000 1.298 64 L HN 0.700 nan 8.230 nan 0.000 0.420 65 D N 1.061 121.342 120.400 -0.199 0.000 2.723 65 D HA -0.210 4.430 4.640 0.000 0.000 0.236 65 D C 1.035 177.213 176.300 -0.203 0.000 1.138 65 D CA 1.315 55.222 54.000 -0.155 0.000 0.676 65 D CB -0.527 40.215 40.800 -0.097 0.000 1.069 65 D HN 0.785 nan 8.370 nan 0.000 0.430 66 E N -0.796 119.173 120.200 -0.384 0.000 2.047 66 E HA -0.161 4.189 4.350 0.000 0.000 0.191 66 E C 1.171 177.498 176.600 -0.455 0.000 0.987 66 E CA 0.844 56.943 56.400 -0.501 0.000 0.799 66 E CB 0.021 29.224 29.700 -0.829 0.000 0.752 66 E HN 0.291 nan 8.360 nan 0.000 0.449 67 F N 0.853 120.673 119.950 -0.216 0.000 2.701 67 F HA 0.352 4.879 4.527 0.000 0.000 0.295 67 F C 0.382 176.112 175.800 -0.117 0.000 1.165 67 F CA -0.241 57.523 58.000 -0.393 0.000 1.399 67 F CB -0.257 38.417 39.000 -0.542 0.000 0.996 67 F HN -0.061 nan 8.300 nan 0.000 0.513 68 A N 1.116 123.987 122.820 0.084 0.000 2.363 68 A HA 0.712 5.032 4.320 0.000 0.000 0.270 68 A C 0.413 178.103 177.584 0.178 0.000 1.121 68 A CA -0.371 51.729 52.037 0.104 0.000 0.800 68 A CB 0.449 19.474 19.000 0.041 0.000 1.052 68 A HN 0.427 nan 8.150 nan 0.000 0.493 69 R N 0.335 120.927 120.500 0.153 0.000 2.744 69 R HA 0.399 4.739 4.340 0.000 0.000 0.279 69 R C -0.580 175.758 176.300 0.063 0.000 0.977 69 R CA -0.857 55.313 56.100 0.117 0.000 0.906 69 R CB 1.566 31.911 30.300 0.076 0.000 1.197 69 R HN 1.039 nan 8.270 nan 0.000 0.463 70 H N 0.196 119.337 119.070 0.119 0.000 2.801 70 H HA 0.126 4.682 4.556 0.000 0.000 0.377 70 H C 0.272 175.634 175.328 0.057 0.000 1.304 70 H CA 0.066 56.163 56.048 0.081 0.000 1.451 70 H CB 0.848 30.656 29.762 0.077 0.000 1.474 70 H HN 0.468 nan 8.280 nan 0.000 0.620 71 R N 0.304 120.996 120.500 0.319 0.000 2.487 71 R HA 0.143 4.483 4.340 0.000 0.000 0.272 71 R C 0.480 176.933 176.300 0.255 0.000 0.928 71 R CA 0.103 56.322 56.100 0.198 0.000 1.077 71 R CB 0.559 30.917 30.300 0.097 0.000 1.265 71 R HN 0.654 nan 8.270 nan 0.000 0.537 72 S N -0.237 115.663 115.700 0.333 0.000 2.572 72 S HA -0.043 4.427 4.470 0.000 0.000 0.262 72 S C 1.244 175.919 174.600 0.124 0.000 1.375 72 S CA 1.037 59.284 58.200 0.079 0.000 0.996 72 S CB 0.746 63.835 63.200 -0.186 0.000 0.892 72 S HN 0.454 nan 8.310 nan 0.000 0.562 73 T N -0.906 113.671 114.554 0.037 0.000 3.151 73 T HA 0.195 4.545 4.350 0.000 0.000 0.257 73 T C -0.037 174.653 174.700 -0.016 0.000 0.872 73 T CA -0.515 61.605 62.100 0.033 0.000 0.873 73 T CB -0.537 68.340 68.868 0.014 0.000 1.272 73 T HN 0.549 nan 8.240 nan 0.000 0.543 74 N N 2.718 121.395 118.700 -0.039 0.000 2.356 74 N HA 0.167 4.907 4.740 0.000 0.000 0.252 74 N C -0.220 175.305 175.510 0.025 0.000 1.241 74 N CA 0.393 53.379 53.050 -0.107 0.000 0.861 74 N CB -0.577 37.905 38.487 -0.008 0.000 1.075 74 N HN 0.417 nan 8.380 nan 0.000 0.461 75 F N -0.765 119.151 119.950 -0.055 0.000 3.039 75 F HA -0.188 4.339 4.527 0.000 0.000 0.287 75 F C 1.509 177.283 175.800 -0.044 0.000 0.956 75 F CA 0.617 58.585 58.000 -0.054 0.000 0.971 75 F CB -2.221 36.733 39.000 -0.077 0.000 0.943 75 F HN 0.751 nan 8.300 nan 0.000 0.766 76 G N 0.319 109.152 108.800 0.055 0.000 2.449 76 G HA2 -0.338 3.622 3.960 0.000 0.000 0.304 76 G HA3 -0.338 3.622 3.960 0.000 0.000 0.304 76 G C 1.073 176.023 174.900 0.083 0.000 0.962 76 G CA 0.557 45.693 45.100 0.059 0.000 0.943 76 G HN 0.695 nan 8.290 nan 0.000 0.514 77 L N -0.095 121.168 121.223 0.066 0.000 2.179 77 L HA 0.005 4.345 4.340 0.000 0.000 0.208 77 L C 2.671 179.664 176.870 0.205 0.000 1.096 77 L CA 1.664 56.518 54.840 0.022 0.000 0.779 77 L CB -0.189 41.748 42.059 -0.204 0.000 0.922 77 L HN 0.509 nan 8.230 nan 0.000 0.443 78 D N 0.058 120.605 120.400 0.246 0.000 2.354 78 D HA -0.227 4.413 4.640 0.000 0.000 0.216 78 D C 1.834 178.233 176.300 0.164 0.000 0.970 78 D CA 1.054 55.233 54.000 0.299 0.000 0.905 78 D CB -0.086 40.817 40.800 0.172 0.000 0.903 78 D HN 0.413 nan 8.370 nan 0.000 0.508 79 A N 0.776 123.683 122.820 0.144 0.000 1.972 79 A HA -0.138 4.182 4.320 0.000 0.000 0.219 79 A C 1.076 178.724 177.584 0.107 0.000 1.169 79 A CA 0.649 52.744 52.037 0.097 0.000 0.635 79 A CB -0.309 18.742 19.000 0.085 0.000 0.810 79 A HN 0.274 nan 8.150 nan 0.000 0.446 80 N N 0.527 119.349 118.700 0.202 0.000 2.696 80 N HA 0.260 5.000 4.740 0.000 0.000 0.246 80 N C -1.198 174.498 175.510 0.310 0.000 1.057 80 N CA -0.231 52.944 53.050 0.209 0.000 0.867 80 N CB 1.037 39.680 38.487 0.260 0.000 1.141 80 N HN 0.244 nan 8.380 nan 0.000 0.517 81 R N 2.433 122.981 120.500 0.078 0.000 2.575 81 R HA 0.284 4.624 4.340 0.000 0.000 0.281 81 R C -2.457 173.804 176.300 -0.065 0.000 1.272 81 R CA -1.347 54.723 56.100 -0.051 0.000 1.417 81 R CB 1.142 31.270 30.300 -0.285 0.000 1.121 81 R HN 0.341 nan 8.270 nan 0.000 0.583 82 P HA 0.033 nan 4.420 nan 0.000 0.281 82 P C -0.407 176.927 177.300 0.058 0.000 1.252 82 P CA -0.169 62.893 63.100 -0.065 0.000 0.778 82 P CB 0.650 32.301 31.700 -0.081 0.000 0.895 83 Y N 0.889 121.226 120.300 0.062 0.000 2.652 83 Y HA 0.107 4.657 4.550 0.000 0.000 0.344 83 Y C 2.182 178.114 175.900 0.053 0.000 1.254 83 Y CA 0.706 58.858 58.100 0.086 0.000 1.480 83 Y CB -0.017 38.532 38.460 0.147 0.000 1.345 83 Y HN 0.770 nan 8.280 nan 0.000 0.617 84 G N 1.205 110.130 108.800 0.208 0.000 2.328 84 G HA2 -0.454 3.506 3.960 0.000 0.000 0.256 84 G HA3 -0.454 3.506 3.960 0.000 0.000 0.256 84 G C 0.547 175.506 174.900 0.098 0.000 1.014 84 G CA 0.783 45.934 45.100 0.084 0.000 0.620 84 G HN 0.905 nan 8.290 nan 0.000 0.530 85 D N -1.436 119.066 120.400 0.169 0.000 2.955 85 D HA 0.064 4.704 4.640 0.000 0.000 0.226 85 D C 1.916 178.407 176.300 0.319 0.000 1.178 85 D CA 3.381 57.527 54.000 0.244 0.000 0.808 85 D CB -1.262 39.684 40.800 0.243 0.000 1.099 85 D HN 2.187 nan 8.370 nan 0.000 0.421 86 G N -2.933 106.003 108.800 0.227 0.000 2.231 86 G HA2 -0.074 3.886 3.960 0.000 0.000 0.206 86 G HA3 -0.074 3.886 3.960 0.000 0.000 0.206 86 G C 0.120 175.128 174.900 0.179 0.000 0.996 86 G CA 0.204 45.493 45.100 0.315 0.000 0.645 86 G HN 1.188 nan 8.290 nan 0.000 0.498 87 V N 1.034 120.901 119.914 -0.079 0.000 2.760 87 V HA 0.712 4.832 4.120 0.000 0.000 0.309 87 V C -0.585 175.468 176.094 -0.069 0.000 1.077 87 V CA -0.650 61.539 62.300 -0.185 0.000 0.910 87 V CB 2.262 33.727 31.823 -0.598 0.000 1.008 87 V HN 0.566 nan 8.190 nan 0.000 0.424 88 V N 6.222 126.140 119.914 0.007 0.000 2.304 88 V HA 0.491 4.611 4.120 0.000 0.000 0.269 88 V C 0.488 176.645 176.094 0.105 0.000 1.036 88 V CA 0.073 62.397 62.300 0.040 0.000 0.840 88 V CB 0.907 32.740 31.823 0.016 0.000 1.036 88 V HN 1.038 nan 8.190 nan 0.000 0.466 89 T N 1.584 116.191 114.554 0.087 0.000 2.940 89 T HA 0.975 5.325 4.350 0.000 0.000 0.288 89 T C 0.118 174.873 174.700 0.092 0.000 1.033 89 T CA -0.048 62.124 62.100 0.120 0.000 1.033 89 T CB 2.333 71.224 68.868 0.039 0.000 1.079 89 T HN 1.150 nan 8.240 nan 0.000 0.496 90 G N 0.222 109.071 108.800 0.082 0.000 2.323 90 G HA2 0.466 4.426 3.960 0.000 0.000 0.291 90 G HA3 0.466 4.426 3.960 0.000 0.000 0.291 90 G C -1.999 172.896 174.900 -0.009 0.000 1.278 90 G CA -0.369 44.636 45.100 -0.157 0.000 0.860 90 G HN 1.374 nan 8.290 nan 0.000 0.504 91 Y N -1.376 118.818 120.300 -0.177 0.000 2.638 91 Y HA 0.931 5.481 4.550 0.000 0.000 0.339 91 Y C 0.228 176.131 175.900 0.006 0.000 1.084 91 Y CA -1.073 57.015 58.100 -0.019 0.000 1.068 91 Y CB 1.568 40.011 38.460 -0.030 0.000 1.294 91 Y HN 1.905 nan 8.280 nan 0.000 0.480 92 G N -0.202 108.881 108.800 0.470 0.000 2.349 92 G HA2 0.489 4.449 3.960 0.000 0.000 0.294 92 G HA3 0.489 4.449 3.960 0.000 0.000 0.294 92 G C -1.496 173.551 174.900 0.245 0.000 1.380 92 G CA -0.460 44.837 45.100 0.328 0.000 0.811 92 G HN 1.133 nan 8.290 nan 0.000 0.519 93 T N -2.300 112.354 114.554 0.167 0.000 2.929 93 T HA 0.718 5.068 4.350 0.000 0.000 0.284 93 T C -0.700 174.044 174.700 0.073 0.000 1.014 93 T CA -0.802 61.361 62.100 0.105 0.000 1.051 93 T CB 1.952 70.867 68.868 0.078 0.000 1.028 93 T HN 0.980 nan 8.240 nan 0.000 0.485 94 V N 2.578 122.517 119.914 0.042 0.000 2.409 94 V HA 0.338 4.458 4.120 0.000 0.000 0.290 94 V C -0.521 175.572 176.094 -0.003 0.000 1.017 94 V CA -0.711 61.598 62.300 0.015 0.000 0.841 94 V CB 0.900 32.723 31.823 -0.000 0.000 1.003 94 V HN 1.132 nan 8.190 nan 0.000 0.426 95 D N 4.629 125.025 120.400 -0.005 0.000 2.746 95 D HA -0.190 4.450 4.640 0.000 0.000 0.241 95 D C 1.359 177.664 176.300 0.008 0.000 1.140 95 D CA 1.550 55.544 54.000 -0.010 0.000 0.707 95 D CB -0.770 40.011 40.800 -0.032 0.000 1.034 95 D HN 1.326 nan 8.370 nan 0.000 0.423 96 G N 0.194 109.004 108.800 0.016 0.000 2.412 96 G HA2 -0.413 3.547 3.960 0.000 0.000 0.252 96 G HA3 -0.413 3.547 3.960 0.000 0.000 0.252 96 G C 0.498 175.409 174.900 0.019 0.000 1.038 96 G CA 0.900 46.013 45.100 0.021 0.000 0.628 96 G HN 0.561 nan 8.290 nan 0.000 0.531 97 R N 1.994 122.501 120.500 0.010 0.000 2.410 97 R HA 0.481 4.821 4.340 0.000 0.000 0.288 97 R C -2.317 173.992 176.300 0.015 0.000 1.051 97 R CA -1.579 54.521 56.100 0.001 0.000 1.021 97 R CB 1.033 31.321 30.300 -0.020 0.000 1.032 97 R HN 0.226 nan 8.270 nan 0.000 0.481 98 P HA 0.051 nan 4.420 nan 0.000 0.271 98 P C -0.687 176.640 177.300 0.044 0.000 1.216 98 P CA 0.019 63.139 63.100 0.034 0.000 0.776 98 P CB 1.085 32.781 31.700 -0.006 0.000 0.881 99 V N 1.804 121.776 119.914 0.097 0.000 3.048 99 V HA 0.602 4.722 4.120 0.000 0.000 0.303 99 V C -0.256 175.952 176.094 0.189 0.000 1.214 99 V CA -0.850 61.514 62.300 0.108 0.000 0.984 99 V CB 2.221 34.093 31.823 0.081 0.000 1.054 99 V HN 0.791 nan 8.190 nan 0.000 0.430 100 A N 2.539 125.475 122.820 0.192 0.000 2.320 100 A HA 0.989 5.309 4.320 0.000 0.000 0.334 100 A C -0.963 176.740 177.584 0.198 0.000 1.147 100 A CA -0.669 51.526 52.037 0.263 0.000 0.820 100 A CB 1.908 21.090 19.000 0.303 0.000 1.218 100 A HN 1.450 nan 8.150 nan 0.000 0.482 101 V N 1.804 121.846 119.914 0.214 0.000 3.098 101 V HA 0.706 4.826 4.120 0.000 0.000 0.294 101 V C -1.992 174.227 176.094 0.207 0.000 1.351 101 V CA -0.726 61.659 62.300 0.142 0.000 0.999 101 V CB 1.910 33.783 31.823 0.085 0.000 1.104 101 V HN 1.389 nan 8.190 nan 0.000 0.438 102 F N 3.345 123.340 119.950 0.075 0.000 2.540 102 F HA 0.894 5.421 4.527 0.000 0.000 0.317 102 F C -0.519 175.295 175.800 0.024 0.000 1.104 102 F CA -0.616 57.405 58.000 0.036 0.000 0.913 102 F CB 2.211 41.216 39.000 0.009 0.000 1.170 102 F HN 0.438 nan 8.300 nan 0.000 0.450 103 S N 2.986 118.816 115.700 0.217 0.000 2.596 103 S HA 0.303 4.773 4.470 0.000 0.000 0.318 103 S C -0.894 173.815 174.600 0.182 0.000 1.097 103 S CA -0.606 57.663 58.200 0.115 0.000 1.080 103 S CB 0.896 64.103 63.200 0.013 0.000 0.991 103 S HN 0.774 nan 8.310 nan 0.000 0.471 104 Q N 2.698 122.648 119.800 0.250 0.000 2.286 104 Q HA 0.131 4.471 4.340 0.000 0.000 0.267 104 Q C -0.758 175.374 176.000 0.220 0.000 1.028 104 Q CA -0.086 55.882 55.803 0.275 0.000 0.901 104 Q CB 0.629 29.594 28.738 0.378 0.000 1.183 104 Q HN 0.493 nan 8.270 nan 0.000 0.392 105 D N 2.675 123.197 120.400 0.205 0.000 2.428 105 D HA 0.023 4.663 4.640 0.000 0.000 0.221 105 D C -0.058 176.354 176.300 0.187 0.000 1.123 105 D CA -0.411 53.686 54.000 0.161 0.000 0.869 105 D CB 0.312 41.170 40.800 0.097 0.000 1.032 105 D HN 0.462 nan 8.370 nan 0.000 0.506 106 F N 2.772 122.762 119.950 0.067 0.000 2.216 106 F HA -0.152 4.375 4.527 0.000 0.000 0.300 106 F C 2.276 178.088 175.800 0.021 0.000 1.085 106 F CA 1.571 59.602 58.000 0.052 0.000 1.326 106 F CB -0.135 38.883 39.000 0.031 0.000 1.027 106 F HN 0.393 nan 8.300 nan 0.000 0.497 107 T N -1.257 113.313 114.554 0.026 0.000 3.496 107 T HA 0.131 4.481 4.350 0.000 0.000 0.253 107 T C 0.037 174.634 174.700 -0.171 0.000 1.134 107 T CA 0.238 62.293 62.100 -0.075 0.000 0.993 107 T CB -1.294 67.566 68.868 -0.013 0.000 1.018 107 T HN -0.067 nan 8.240 nan 0.000 0.571 108 V N 1.924 121.709 119.914 -0.215 0.000 2.498 108 V HA 0.377 4.497 4.120 0.000 0.000 0.283 108 V C -0.488 175.481 176.094 -0.208 0.000 1.015 108 V CA -1.088 61.048 62.300 -0.273 0.000 0.867 108 V CB 0.313 32.054 31.823 -0.136 0.000 1.025 108 V HN 0.398 nan 8.190 nan 0.000 0.441 109 F N 2.742 122.587 119.950 -0.176 0.000 3.093 109 F HA -0.220 4.307 4.527 0.000 0.000 0.287 109 F C 1.637 177.256 175.800 -0.303 0.000 0.882 109 F CA 1.491 59.373 58.000 -0.196 0.000 1.063 109 F CB -1.612 37.301 39.000 -0.144 0.000 1.097 109 F HN 1.024 nan 8.300 nan 0.000 0.604 110 G N -0.862 107.684 108.800 -0.425 0.000 2.249 110 G HA2 0.135 4.095 3.960 0.000 0.000 0.273 110 G HA3 0.135 4.095 3.960 0.000 0.000 0.273 110 G C 1.429 176.115 174.900 -0.357 0.000 1.036 110 G CA 0.992 45.603 45.100 -0.816 0.000 0.824 110 G HN 2.172 nan 8.290 nan 0.000 0.504 111 G N -1.220 107.467 108.800 -0.188 0.000 2.309 111 G HA2 0.081 4.041 3.960 0.000 0.000 0.286 111 G HA3 0.081 4.041 3.960 0.000 0.000 0.286 111 G C 1.088 175.992 174.900 0.005 0.000 1.002 111 G CA 1.311 46.464 45.100 0.088 0.000 0.786 111 G HN 2.370 nan 8.290 nan 0.000 0.511 112 A N -0.770 121.976 122.820 -0.124 0.000 2.455 112 A HA 0.517 4.837 4.320 0.000 0.000 0.244 112 A C 0.711 177.856 177.584 -0.733 0.000 1.099 112 A CA 0.132 52.013 52.037 -0.259 0.000 0.786 112 A CB 0.347 19.224 19.000 -0.206 0.000 1.051 112 A HN 1.025 nan 8.150 nan 0.000 0.508 113 L N 1.265 122.071 121.223 -0.695 0.000 2.276 113 L HA 0.623 4.963 4.340 0.000 0.000 0.286 113 L C 0.588 177.031 176.870 -0.712 0.000 1.061 113 L CA 0.817 55.046 54.840 -1.019 0.000 0.807 113 L CB 0.311 41.837 42.059 -0.889 0.000 1.177 113 L HN 0.863 nan 8.230 nan 0.000 0.429 114 G N 3.131 111.577 108.800 -0.590 0.000 3.013 114 G HA2 0.347 4.307 3.960 0.000 0.000 0.278 114 G HA3 0.347 4.307 3.960 0.000 0.000 0.278 114 G C 0.300 175.133 174.900 -0.112 0.000 1.353 114 G CA -0.183 44.755 45.100 -0.269 0.000 1.043 114 G HN 0.681 nan 8.290 nan 0.000 0.523 115 E N -1.076 119.081 120.200 -0.072 0.000 1.996 115 E HA -0.158 4.192 4.350 0.000 0.000 0.197 115 E C 2.536 179.150 176.600 0.024 0.000 1.002 115 E CA 1.633 58.013 56.400 -0.033 0.000 0.840 115 E CB -0.282 29.407 29.700 -0.020 0.000 0.786 115 E HN 0.139 nan 8.360 nan 0.000 0.469 116 V N 0.830 120.783 119.914 0.065 0.000 2.546 116 V HA -0.273 3.847 4.120 0.000 0.000 0.254 116 V C 2.068 178.216 176.094 0.090 0.000 1.076 116 V CA 2.068 64.414 62.300 0.077 0.000 1.087 116 V CB -0.806 31.085 31.823 0.113 0.000 0.674 116 V HN 0.410 nan 8.190 nan 0.000 0.470 117 Y N 1.649 121.927 120.300 -0.036 0.000 2.070 117 Y HA -0.144 4.406 4.550 0.000 0.000 0.279 117 Y C 2.392 178.220 175.900 -0.120 0.000 1.134 117 Y CA 1.981 60.044 58.100 -0.062 0.000 1.113 117 Y CB -0.986 37.428 38.460 -0.076 0.000 0.981 117 Y HN 0.191 nan 8.280 nan 0.000 0.487 118 G N -0.364 108.519 108.800 0.138 0.000 2.545 118 G HA2 -0.355 3.605 3.960 0.000 0.000 0.217 118 G HA3 -0.355 3.605 3.960 0.000 0.000 0.217 118 G C 1.437 176.289 174.900 -0.080 0.000 1.218 118 G CA 1.248 46.334 45.100 -0.023 0.000 0.787 118 G HN 0.551 nan 8.290 nan 0.000 0.571 119 Q N 0.089 119.861 119.800 -0.046 0.000 2.124 119 Q HA -0.267 4.073 4.340 0.000 0.000 0.215 119 Q C 2.623 178.588 176.000 -0.059 0.000 1.015 119 Q CA 2.055 57.834 55.803 -0.041 0.000 0.890 119 Q CB -0.260 28.468 28.738 -0.017 0.000 0.966 119 Q HN 0.471 nan 8.270 nan 0.000 0.412 120 K N 0.266 120.618 120.400 -0.081 0.000 2.032 120 K HA -0.165 4.155 4.320 0.000 0.000 0.209 120 K C 2.100 178.624 176.600 -0.126 0.000 1.048 120 K CA 1.474 57.700 56.287 -0.102 0.000 0.927 120 K CB -0.242 32.176 32.500 -0.137 0.000 0.712 120 K HN 0.242 nan 8.250 nan 0.000 0.441 121 I N 0.742 121.179 120.570 -0.221 0.000 2.208 121 I HA -0.292 3.878 4.170 0.000 0.000 0.245 121 I C 2.205 178.257 176.117 -0.109 0.000 1.097 121 I CA 1.081 62.212 61.300 -0.281 0.000 1.363 121 I CB -0.355 37.326 38.000 -0.531 0.000 1.051 121 I HN -0.034 nan 8.210 nan 0.000 0.413 122 V N 0.946 120.814 119.914 -0.076 0.000 2.469 122 V HA -0.318 3.802 4.120 0.000 0.000 0.251 122 V C 2.524 178.634 176.094 0.026 0.000 1.064 122 V CA 1.905 64.197 62.300 -0.015 0.000 1.066 122 V CB -0.703 31.110 31.823 -0.018 0.000 0.667 122 V HN 0.417 nan 8.190 nan 0.000 0.461 123 K N 0.360 120.768 120.400 0.013 0.000 1.985 123 K HA -0.189 4.131 4.320 0.000 0.000 0.210 123 K C 2.163 178.824 176.600 0.102 0.000 1.047 123 K CA 2.156 58.469 56.287 0.042 0.000 0.932 123 K CB -0.314 32.186 32.500 0.001 0.000 0.716 123 K HN 0.450 nan 8.250 nan 0.000 0.439 124 V N -0.607 119.365 119.914 0.096 0.000 2.332 124 V HA -0.278 3.842 4.120 0.000 0.000 0.248 124 V C 2.218 178.457 176.094 0.242 0.000 1.055 124 V CA 1.921 64.334 62.300 0.188 0.000 1.038 124 V CB -0.719 31.222 31.823 0.197 0.000 0.651 124 V HN 0.312 nan 8.190 nan 0.000 0.450 125 M N 0.232 119.939 119.600 0.179 0.000 2.159 125 M HA -0.131 4.349 4.480 0.000 0.000 0.263 125 M C 2.045 178.435 176.300 0.150 0.000 1.063 125 M CA 2.137 57.539 55.300 0.170 0.000 1.110 125 M CB -0.736 31.945 32.600 0.135 0.000 1.374 125 M HN 0.380 nan 8.290 nan 0.000 0.411 126 D N 0.068 120.552 120.400 0.140 0.000 2.144 126 D HA -0.115 4.525 4.640 0.000 0.000 0.200 126 D C 1.683 178.072 176.300 0.148 0.000 0.978 126 D CA 1.090 55.163 54.000 0.121 0.000 0.833 126 D CB -0.284 40.579 40.800 0.105 0.000 0.961 126 D HN 0.243 nan 8.370 nan 0.000 0.470 127 F N 1.940 121.914 119.950 0.041 0.000 2.075 127 F HA -0.138 4.389 4.527 0.000 0.000 0.297 127 F C 2.240 178.054 175.800 0.023 0.000 1.113 127 F CA 1.541 59.557 58.000 0.027 0.000 1.218 127 F CB -0.374 38.650 39.000 0.040 0.000 0.984 127 F HN -0.073 nan 8.300 nan 0.000 0.472 128 A N 0.464 123.373 122.820 0.148 0.000 1.865 128 A HA -0.209 4.111 4.320 0.000 0.000 0.217 128 A C 2.145 179.704 177.584 -0.043 0.000 1.191 128 A CA 1.957 54.014 52.037 0.035 0.000 0.623 128 A CB -1.424 17.662 19.000 0.144 0.000 0.826 128 A HN 0.483 nan 8.150 nan 0.000 0.444 129 L N 0.265 121.498 121.223 0.018 0.000 1.970 129 L HA -0.214 4.126 4.340 0.000 0.000 0.212 129 L C 2.506 179.347 176.870 -0.048 0.000 1.071 129 L CA 2.886 57.734 54.840 0.012 0.000 0.751 129 L CB -0.702 41.388 42.059 0.052 0.000 0.889 129 L HN 0.576 nan 8.230 nan 0.000 0.432 130 K N -1.132 119.226 120.400 -0.070 0.000 2.077 130 K HA -0.241 4.079 4.320 0.000 0.000 0.213 130 K C 1.510 178.005 176.600 -0.176 0.000 1.051 130 K CA 2.336 58.559 56.287 -0.106 0.000 0.929 130 K CB -0.516 31.922 32.500 -0.102 0.000 0.715 130 K HN 0.594 nan 8.250 nan 0.000 0.451 131 T N -2.633 111.734 114.554 -0.311 0.000 3.144 131 T HA 0.235 4.585 4.350 0.000 0.000 0.249 131 T C 0.761 175.333 174.700 -0.214 0.000 1.089 131 T CA 0.107 62.002 62.100 -0.341 0.000 0.989 131 T CB 0.043 68.527 68.868 -0.640 0.000 0.992 131 T HN 0.463 nan 8.240 nan 0.000 0.540 132 G N 1.581 110.299 108.800 -0.137 0.000 2.354 132 G HA2 -0.132 3.828 3.960 0.000 0.000 0.278 132 G HA3 -0.132 3.828 3.960 0.000 0.000 0.278 132 G C 0.138 175.005 174.900 -0.055 0.000 0.953 132 G CA -0.093 44.968 45.100 -0.064 0.000 1.346 132 G HN 1.616 nan 8.290 nan 0.000 0.467 133 C N 0.169 119.447 119.300 -0.037 0.000 3.170 133 C HA 0.919 5.379 4.460 0.000 0.000 0.319 133 C C -2.217 172.792 174.990 0.032 0.000 1.260 133 C CA -2.116 56.894 59.018 -0.013 0.000 1.374 133 C CB 1.704 29.424 27.740 -0.033 0.000 1.739 133 C HN 0.393 nan 8.230 nan 0.000 0.479 134 P HA 0.326 nan 4.420 nan 0.000 0.272 134 P C -0.949 176.399 177.300 0.079 0.000 1.248 134 P CA -0.124 62.999 63.100 0.038 0.000 0.799 134 P CB 0.370 32.067 31.700 -0.005 0.000 0.997 135 V N 1.042 121.008 119.914 0.087 0.000 2.532 135 V HA 0.149 4.269 4.120 0.000 0.000 0.294 135 V C -0.472 175.660 176.094 0.063 0.000 1.036 135 V CA -0.562 61.806 62.300 0.114 0.000 0.876 135 V CB 2.043 33.967 31.823 0.168 0.000 1.012 135 V HN 0.148 nan 8.190 nan 0.000 0.432 136 V N 4.026 123.949 119.914 0.015 0.000 2.385 136 V HA 0.630 4.750 4.120 0.000 0.000 0.269 136 V C 0.906 176.841 176.094 -0.265 0.000 1.043 136 V CA -0.121 62.142 62.300 -0.062 0.000 0.906 136 V CB 1.487 33.285 31.823 -0.042 0.000 0.995 136 V HN 0.908 nan 8.190 nan 0.000 0.467 137 G N 5.378 113.970 108.800 -0.346 0.000 2.415 137 G HA2 0.638 4.598 3.960 0.000 0.000 0.317 137 G HA3 0.638 4.598 3.960 0.000 0.000 0.317 137 G C -0.555 174.036 174.900 -0.516 0.000 1.152 137 G CA -0.475 44.098 45.100 -0.878 0.000 0.956 137 G HN 0.682 nan 8.290 nan 0.000 0.458 138 I N 2.724 122.974 120.570 -0.534 0.000 2.287 138 I HA 0.126 4.296 4.170 0.000 0.000 0.290 138 I C -0.379 175.721 176.117 -0.028 0.000 1.069 138 I CA -0.680 60.514 61.300 -0.176 0.000 1.237 138 I CB 0.655 38.590 38.000 -0.109 0.000 1.418 138 I HN 0.348 nan 8.210 nan 0.000 0.481 139 N N 5.380 124.114 118.700 0.058 0.000 2.509 139 N HA 0.462 5.202 4.740 0.000 0.000 0.287 139 N C -0.682 174.913 175.510 0.143 0.000 1.121 139 N CA -0.479 52.674 53.050 0.171 0.000 0.977 139 N CB 0.904 39.498 38.487 0.177 0.000 1.167 139 N HN 0.408 nan 8.380 nan 0.000 0.476 140 D N -0.018 120.498 120.400 0.193 0.000 2.540 140 D HA 0.123 4.763 4.640 0.000 0.000 0.194 140 D C -1.771 174.698 176.300 0.283 0.000 1.291 140 D CA -0.028 54.077 54.000 0.175 0.000 1.158 140 D CB 0.155 41.049 40.800 0.156 0.000 1.474 140 D HN 0.378 nan 8.370 nan 0.000 0.578 141 S N 0.589 116.441 115.700 0.253 0.000 2.537 141 S HA 0.644 5.114 4.470 0.000 0.000 0.270 141 S C 0.918 175.655 174.600 0.227 0.000 1.142 141 S CA 0.067 58.436 58.200 0.282 0.000 0.870 141 S CB 1.436 64.767 63.200 0.217 0.000 1.112 141 S HN 0.258 nan 8.310 nan 0.000 0.466 142 G N 1.369 110.321 108.800 0.254 0.000 2.712 142 G HA2 0.492 4.452 3.960 0.000 0.000 0.212 142 G HA3 0.492 4.452 3.960 0.000 0.000 0.212 142 G C 0.875 175.836 174.900 0.101 0.000 1.142 142 G CA 0.585 45.804 45.100 0.199 0.000 0.789 142 G HN 1.553 nan 8.290 nan 0.000 0.535 143 G N -1.050 107.797 108.800 0.078 0.000 2.384 143 G HA2 0.503 4.463 3.960 0.000 0.000 0.150 143 G HA3 0.503 4.463 3.960 0.000 0.000 0.150 143 G C -0.878 174.058 174.900 0.060 0.000 1.269 143 G CA -0.071 45.077 45.100 0.079 0.000 1.094 143 G HN 1.020 nan 8.290 nan 0.000 0.467 144 A N -0.283 122.567 122.820 0.050 0.000 2.312 144 A HA 0.808 5.128 4.320 0.000 0.000 0.328 144 A C 0.511 178.004 177.584 -0.152 0.000 1.158 144 A CA -0.267 51.724 52.037 -0.078 0.000 0.821 144 A CB 0.996 20.020 19.000 0.040 0.000 1.170 144 A HN 0.776 nan 8.150 nan 0.000 0.490 145 R N 2.046 122.394 120.500 -0.253 0.000 2.824 145 R HA 0.088 4.428 4.340 0.000 0.000 0.240 145 R C 0.283 176.447 176.300 -0.228 0.000 1.548 145 R CA -0.219 55.715 56.100 -0.277 0.000 1.119 145 R CB -0.762 29.326 30.300 -0.354 0.000 1.189 145 R HN 0.709 nan 8.270 nan 0.000 0.596 146 I N 2.102 122.557 120.570 -0.191 0.000 2.290 146 I HA -0.402 3.768 4.170 0.000 0.000 0.253 146 I C 1.970 177.966 176.117 -0.202 0.000 1.112 146 I CA 1.503 62.700 61.300 -0.172 0.000 1.377 146 I CB -0.443 37.450 38.000 -0.177 0.000 1.060 146 I HN 0.493 nan 8.210 nan 0.000 0.428 147 Q N 0.889 120.531 119.800 -0.262 0.000 2.061 147 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 147 Q C 2.168 178.159 176.000 -0.014 0.000 0.984 147 Q CA 1.749 57.437 55.803 -0.191 0.000 0.846 147 Q CB -0.540 28.098 28.738 -0.167 0.000 0.902 147 Q HN 0.599 nan 8.270 nan 0.000 0.421 148 E N -0.002 120.138 120.200 -0.100 0.000 2.333 148 E HA -0.046 4.304 4.350 0.000 0.000 0.198 148 E C 1.096 177.673 176.600 -0.039 0.000 1.007 148 E CA 0.280 56.635 56.400 -0.074 0.000 0.845 148 E CB -0.230 29.389 29.700 -0.135 0.000 0.766 148 E HN 0.408 nan 8.360 nan 0.000 0.507 149 G N 0.731 109.509 108.800 -0.036 0.000 2.561 149 G HA2 -0.423 3.537 3.960 0.000 0.000 0.289 149 G HA3 -0.423 3.537 3.960 0.000 0.000 0.289 149 G C 1.064 175.952 174.900 -0.020 0.000 1.169 149 G CA 0.390 45.482 45.100 -0.013 0.000 0.980 149 G HN 0.131 nan 8.290 nan 0.000 0.550 150 V N 1.559 121.469 119.914 -0.006 0.000 2.392 150 V HA -0.023 4.097 4.120 0.000 0.000 0.249 150 V C 3.505 179.585 176.094 -0.023 0.000 1.059 150 V CA 3.309 65.607 62.300 -0.003 0.000 1.051 150 V CB -1.526 30.299 31.823 0.003 0.000 0.658 150 V HN 1.665 nan 8.190 nan 0.000 0.455 151 A N 1.158 123.957 122.820 -0.035 0.000 1.958 151 A HA -0.289 4.031 4.320 0.000 0.000 0.221 151 A C 2.524 180.054 177.584 -0.091 0.000 1.178 151 A CA 2.661 54.667 52.037 -0.052 0.000 0.642 151 A CB -0.811 18.159 19.000 -0.051 0.000 0.816 151 A HN 0.747 nan 8.150 nan 0.000 0.453 152 S N -0.602 115.029 115.700 -0.115 0.000 2.428 152 S HA 0.034 4.504 4.470 0.000 0.000 0.230 152 S C 1.808 176.285 174.600 -0.205 0.000 1.014 152 S CA 1.166 59.241 58.200 -0.208 0.000 0.957 152 S CB -0.504 62.566 63.200 -0.216 0.000 0.784 152 S HN 0.472 nan 8.310 nan 0.000 0.499 153 L N 1.297 122.493 121.223 -0.045 0.000 2.068 153 L HA 0.144 4.484 4.340 0.000 0.000 0.204 153 L C 3.037 179.904 176.870 -0.005 0.000 1.076 153 L CA 1.004 55.883 54.840 0.066 0.000 0.753 153 L CB -1.313 40.791 42.059 0.073 0.000 0.910 153 L HN 0.498 nan 8.230 nan 0.000 0.439 154 G N -0.065 108.715 108.800 -0.033 0.000 2.507 154 G HA2 -0.312 3.648 3.960 0.000 0.000 0.221 154 G HA3 -0.312 3.648 3.960 0.000 0.000 0.221 154 G C 1.667 176.522 174.900 -0.075 0.000 1.119 154 G CA 1.048 46.124 45.100 -0.041 0.000 0.751 154 G HN 0.488 nan 8.290 nan 0.000 0.574 155 A N -0.578 122.169 122.820 -0.122 0.000 1.935 155 A HA 0.223 4.543 4.320 0.000 0.000 0.214 155 A C 2.157 179.626 177.584 -0.191 0.000 1.178 155 A CA 1.050 52.996 52.037 -0.152 0.000 0.640 155 A CB -0.435 18.457 19.000 -0.181 0.000 0.825 155 A HN 0.289 nan 8.150 nan 0.000 0.447 156 Y N 0.670 120.802 120.300 -0.279 0.000 2.081 156 Y HA -0.178 4.372 4.550 0.000 0.000 0.280 156 Y C 2.771 178.132 175.900 -0.898 0.000 1.163 156 Y CA 1.017 58.792 58.100 -0.541 0.000 1.135 156 Y CB -1.143 37.010 38.460 -0.512 0.000 0.970 156 Y HN 0.298 nan 8.280 nan 0.000 0.498 157 G N -0.292 108.262 108.800 -0.410 0.000 2.480 157 G HA2 -0.261 3.699 3.960 0.000 0.000 0.216 157 G HA3 -0.261 3.699 3.960 0.000 0.000 0.216 157 G C 1.603 176.439 174.900 -0.106 0.000 1.200 157 G CA 1.131 46.074 45.100 -0.263 0.000 0.782 157 G HN 0.307 nan 8.290 nan 0.000 0.554 158 E N 0.596 120.745 120.200 -0.086 0.000 2.136 158 E HA -0.194 4.156 4.350 0.000 0.000 0.202 158 E C 2.554 179.143 176.600 -0.018 0.000 1.019 158 E CA 1.094 57.467 56.400 -0.046 0.000 0.819 158 E CB -0.360 29.309 29.700 -0.051 0.000 0.739 158 E HN 0.591 nan 8.360 nan 0.000 0.458 159 I N 0.260 120.805 120.570 -0.043 0.000 2.226 159 I HA -0.248 3.922 4.170 0.000 0.000 0.245 159 I C 2.272 178.518 176.117 0.216 0.000 1.100 159 I CA 0.818 62.149 61.300 0.051 0.000 1.374 159 I CB -0.396 37.625 38.000 0.035 0.000 1.057 159 I HN -0.044 nan 8.210 nan 0.000 0.413 160 F N 1.091 121.078 119.950 0.063 0.000 2.046 160 F HA -0.209 4.318 4.527 0.000 0.000 0.297 160 F C 2.714 178.507 175.800 -0.012 0.000 1.123 160 F CA 1.272 59.296 58.000 0.039 0.000 1.199 160 F CB -1.369 37.651 39.000 0.033 0.000 0.972 160 F HN 0.019 nan 8.300 nan 0.000 0.474 161 R N 0.835 121.425 120.500 0.150 0.000 2.112 161 R HA -0.207 4.133 4.340 0.000 0.000 0.242 161 R C 2.347 178.561 176.300 -0.144 0.000 1.137 161 R CA 1.735 57.797 56.100 -0.063 0.000 0.944 161 R CB -0.336 29.882 30.300 -0.136 0.000 0.857 161 R HN 0.227 nan 8.270 nan 0.000 0.435 162 R N 0.188 120.653 120.500 -0.058 0.000 2.091 162 R HA -0.104 4.236 4.340 0.000 0.000 0.238 162 R C 2.074 178.420 176.300 0.077 0.000 1.136 162 R CA 1.661 57.757 56.100 -0.007 0.000 0.959 162 R CB -0.911 29.413 30.300 0.040 0.000 0.856 162 R HN 0.487 nan 8.270 nan 0.000 0.437 163 N N -0.305 118.466 118.700 0.118 0.000 2.137 163 N HA -0.146 4.594 4.740 0.000 0.000 0.190 163 N C 1.443 177.021 175.510 0.112 0.000 1.017 163 N CA 2.029 55.163 53.050 0.141 0.000 0.859 163 N CB -0.026 38.565 38.487 0.172 0.000 1.002 163 N HN 0.235 nan 8.380 nan 0.000 0.428 164 T N -0.577 114.032 114.554 0.093 0.000 2.706 164 T HA -0.071 4.279 4.350 0.000 0.000 0.255 164 T C 1.340 176.148 174.700 0.179 0.000 1.048 164 T CA 0.869 63.032 62.100 0.103 0.000 1.153 164 T CB -0.689 68.238 68.868 0.099 0.000 0.865 164 T HN 0.372 nan 8.240 nan 0.000 0.414 165 H N 0.815 119.903 119.070 0.029 0.000 2.496 165 H HA -0.034 4.522 4.556 0.000 0.000 0.296 165 H C 1.981 177.325 175.328 0.028 0.000 1.107 165 H CA 0.694 56.756 56.048 0.023 0.000 1.263 165 H CB 0.026 29.806 29.762 0.031 0.000 1.369 165 H HN 0.364 nan 8.280 nan 0.000 0.541 166 A N 0.413 123.336 122.820 0.171 0.000 2.390 166 A HA 0.063 4.383 4.320 0.000 0.000 0.232 166 A C 1.115 178.766 177.584 0.113 0.000 1.233 166 A CA -0.171 51.942 52.037 0.127 0.000 0.907 166 A CB 0.403 19.485 19.000 0.137 0.000 0.967 166 A HN 0.143 nan 8.150 nan 0.000 0.512 167 S N 0.544 116.300 115.700 0.094 0.000 2.519 167 S HA 0.405 4.875 4.470 0.000 0.000 0.320 167 S C 1.236 175.832 174.600 -0.007 0.000 1.179 167 S CA 0.960 59.203 58.200 0.071 0.000 1.173 167 S CB -0.703 62.523 63.200 0.044 0.000 1.224 167 S HN 1.633 nan 8.310 nan 0.000 0.542 168 G N 2.721 111.489 108.800 -0.053 0.000 2.229 168 G HA2 -0.214 3.746 3.960 0.000 0.000 0.189 168 G HA3 -0.214 3.746 3.960 0.000 0.000 0.189 168 G C 0.528 175.221 174.900 -0.345 0.000 1.000 168 G CA 0.073 44.954 45.100 -0.364 0.000 0.663 168 G HN 0.781 nan 8.290 nan 0.000 0.493 169 V N 0.983 120.859 119.914 -0.063 0.000 2.922 169 V HA 0.462 4.582 4.120 0.000 0.000 0.242 169 V C 1.041 177.239 176.094 0.174 0.000 1.094 169 V CA 1.623 63.932 62.300 0.016 0.000 1.106 169 V CB 0.008 31.851 31.823 0.034 0.000 0.799 169 V HN 0.794 nan 8.190 nan 0.000 0.474 170 I N -2.909 117.845 120.570 0.307 0.000 2.692 170 I HA 0.568 4.738 4.170 0.000 0.000 0.293 170 I C -3.264 173.071 176.117 0.363 0.000 1.200 170 I CA -2.503 58.998 61.300 0.334 0.000 1.036 170 I CB 2.279 40.376 38.000 0.162 0.000 1.258 170 I HN -0.129 nan 8.210 nan 0.000 0.421 171 P HA 0.105 nan 4.420 nan 0.000 0.264 171 P C -1.307 176.018 177.300 0.042 0.000 1.193 171 P CA 0.254 63.252 63.100 -0.170 0.000 0.763 171 P CB 0.400 31.879 31.700 -0.368 0.000 0.810 172 Q N 2.987 122.845 119.800 0.097 0.000 2.339 172 Q HA 0.512 4.852 4.340 0.000 0.000 0.268 172 Q C -0.575 175.503 176.000 0.131 0.000 1.027 172 Q CA -0.433 55.444 55.803 0.124 0.000 0.759 172 Q CB 1.699 30.529 28.738 0.152 0.000 1.244 172 Q HN 0.434 nan 8.270 nan 0.000 0.464 173 I N 1.126 121.769 120.570 0.121 0.000 2.474 173 I HA 0.348 4.518 4.170 0.000 0.000 0.294 173 I C -0.240 175.940 176.117 0.105 0.000 1.005 173 I CA -0.581 60.812 61.300 0.155 0.000 1.113 173 I CB 2.140 40.223 38.000 0.140 0.000 1.289 173 I HN 0.395 nan 8.210 nan 0.000 0.436 174 S N 6.501 122.285 115.700 0.139 0.000 2.498 174 S HA 0.505 4.975 4.470 0.000 0.000 0.317 174 S C -0.518 174.140 174.600 0.098 0.000 1.090 174 S CA -0.514 57.742 58.200 0.092 0.000 1.089 174 S CB 1.130 64.403 63.200 0.122 0.000 0.997 174 S HN 0.396 nan 8.310 nan 0.000 0.470 175 L N 4.780 126.027 121.223 0.040 0.000 2.265 175 L HA 0.522 4.862 4.340 0.000 0.000 0.289 175 L C -1.102 175.792 176.870 0.040 0.000 1.033 175 L CA -0.545 54.326 54.840 0.052 0.000 0.814 175 L CB 0.928 43.002 42.059 0.025 0.000 1.203 175 L HN 0.375 nan 8.230 nan 0.000 0.423 176 V N 6.047 125.991 119.914 0.050 0.000 2.294 176 V HA 0.140 4.260 4.120 0.000 0.000 0.272 176 V C 0.572 176.678 176.094 0.021 0.000 1.027 176 V CA -0.424 61.902 62.300 0.043 0.000 0.823 176 V CB 1.262 33.111 31.823 0.044 0.000 1.030 176 V HN 0.648 nan 8.190 nan 0.000 0.457 177 V N 1.498 121.425 119.914 0.020 0.000 3.070 177 V HA 0.876 4.996 4.120 0.000 0.000 0.345 177 V C 0.559 176.648 176.094 -0.010 0.000 1.403 177 V CA 0.497 62.797 62.300 -0.000 0.000 1.155 177 V CB 0.013 31.839 31.823 0.004 0.000 1.140 177 V HN 0.808 nan 8.190 nan 0.000 0.505 178 G N 0.022 108.826 108.800 0.008 0.000 2.650 178 G HA2 0.605 4.565 3.960 0.000 0.000 0.310 178 G HA3 0.605 4.565 3.960 0.000 0.000 0.310 178 G C -3.579 171.349 174.900 0.046 0.000 1.270 178 G CA -1.156 43.934 45.100 -0.016 0.000 0.810 178 G HN 0.099 nan 8.290 nan 0.000 0.493 179 P HA 0.428 nan 4.420 nan 0.000 0.275 179 P C -0.763 176.560 177.300 0.037 0.000 1.227 179 P CA -0.171 62.968 63.100 0.065 0.000 0.781 179 P CB 1.431 33.156 31.700 0.040 0.000 0.906 180 C N 4.013 123.272 119.300 -0.069 0.000 2.949 180 C HA 0.781 5.241 4.460 0.000 0.000 0.306 180 C C -0.597 174.121 174.990 -0.454 0.000 1.045 180 C CA -0.042 58.897 59.018 -0.131 0.000 1.414 180 C CB -1.188 26.519 27.740 -0.056 0.000 1.854 180 C HN 0.637 nan 8.230 nan 0.000 0.487 181 A N 4.136 126.673 122.820 -0.471 0.000 2.365 181 A HA 0.979 5.299 4.320 0.000 0.000 0.318 181 A C 0.491 177.869 177.584 -0.343 0.000 1.091 181 A CA 0.650 52.252 52.037 -0.724 0.000 0.763 181 A CB 0.969 19.581 19.000 -0.646 0.000 1.248 181 A HN 2.611 nan 8.150 nan 0.000 0.442 182 G N 0.695 109.309 108.800 -0.310 0.000 2.632 182 G HA2 0.193 4.153 3.960 0.000 0.000 0.224 182 G HA3 0.193 4.153 3.960 0.000 0.000 0.224 182 G C 1.142 175.840 174.900 -0.337 0.000 1.341 182 G CA 0.372 45.339 45.100 -0.222 0.000 0.880 182 G HN 2.040 nan 8.290 nan 0.000 0.566 183 G N -0.125 108.494 108.800 -0.301 0.000 2.517 183 G HA2 0.164 4.124 3.960 0.000 0.000 0.222 183 G HA3 0.164 4.124 3.960 0.000 0.000 0.222 183 G C 2.165 176.915 174.900 -0.250 0.000 1.109 183 G CA 3.000 47.952 45.100 -0.247 0.000 0.746 183 G HN 2.083 nan 8.290 nan 0.000 0.576 184 A N 0.667 123.162 122.820 -0.543 0.000 1.986 184 A HA -0.058 4.262 4.320 0.000 0.000 0.220 184 A C 2.714 180.279 177.584 -0.032 0.000 1.171 184 A CA 2.528 54.395 52.037 -0.284 0.000 0.640 184 A CB -0.801 18.158 19.000 -0.067 0.000 0.811 184 A HN 1.033 nan 8.150 nan 0.000 0.451 185 V N -4.028 115.763 119.914 -0.205 0.000 2.568 185 V HA -0.254 3.866 4.120 0.000 0.000 0.253 185 V C 2.165 178.182 176.094 -0.129 0.000 1.072 185 V CA 1.881 64.057 62.300 -0.207 0.000 1.084 185 V CB -1.444 30.169 31.823 -0.349 0.000 0.676 185 V HN 0.511 nan 8.190 nan 0.000 0.469 186 Y N 1.866 122.092 120.300 -0.123 0.000 2.352 186 Y HA -0.055 4.495 4.550 0.000 0.000 0.292 186 Y C 3.117 178.855 175.900 -0.271 0.000 1.136 186 Y CA 0.990 58.909 58.100 -0.302 0.000 1.227 186 Y CB -0.982 37.096 38.460 -0.636 0.000 0.991 186 Y HN 0.493 nan 8.280 nan 0.000 0.545 187 S N 0.169 115.973 115.700 0.173 0.000 2.368 187 S HA -0.090 4.380 4.470 0.000 0.000 0.225 187 S C -0.493 174.213 174.600 0.177 0.000 1.030 187 S CA 1.141 59.507 58.200 0.276 0.000 0.999 187 S CB -1.123 62.360 63.200 0.471 0.000 0.844 187 S HN 0.193 nan 8.310 nan 0.000 0.459 188 P HA 0.154 nan 4.420 nan 0.000 0.221 188 P C 1.633 178.976 177.300 0.073 0.000 1.150 188 P CA 1.420 64.588 63.100 0.113 0.000 0.800 188 P CB -0.269 31.477 31.700 0.077 0.000 0.787 189 A N -0.179 122.666 122.820 0.041 0.000 1.858 189 A HA -0.194 4.126 4.320 0.000 0.000 0.216 189 A C 2.171 179.762 177.584 0.011 0.000 1.190 189 A CA 1.559 53.606 52.037 0.016 0.000 0.617 189 A CB -1.639 17.380 19.000 0.032 0.000 0.827 189 A HN 0.089 nan 8.150 nan 0.000 0.443 190 I N 0.636 121.205 120.570 -0.003 0.000 2.226 190 I HA -0.161 4.009 4.170 0.000 0.000 0.245 190 I C 1.748 177.890 176.117 0.043 0.000 1.100 190 I CA 1.038 62.336 61.300 -0.003 0.000 1.374 190 I CB -1.085 36.906 38.000 -0.015 0.000 1.057 190 I HN 0.488 nan 8.210 nan 0.000 0.413 191 T N -1.155 113.448 114.554 0.081 0.000 2.663 191 T HA -0.059 4.291 4.350 0.000 0.000 0.325 191 T C 0.795 175.528 174.700 0.055 0.000 1.059 191 T CA -0.308 61.851 62.100 0.099 0.000 1.039 191 T CB 0.755 69.704 68.868 0.135 0.000 0.996 191 T HN 0.098 nan 8.240 nan 0.000 0.539 192 D N 0.219 120.634 120.400 0.024 0.000 2.121 192 D HA 0.109 4.749 4.640 0.000 0.000 0.209 192 D C 0.222 176.311 176.300 -0.351 0.000 0.981 192 D CA 1.136 55.018 54.000 -0.197 0.000 0.875 192 D CB -0.156 40.499 40.800 -0.241 0.000 1.016 192 D HN 0.521 nan 8.370 nan 0.000 0.452 193 F N 0.616 120.588 119.950 0.037 0.000 2.427 193 F HA 0.287 4.814 4.527 0.000 0.000 0.346 193 F C 0.597 176.543 175.800 0.243 0.000 1.120 193 F CA -0.886 57.116 58.000 0.003 0.000 1.033 193 F CB 1.744 40.749 39.000 0.009 0.000 1.126 193 F HN -0.272 nan 8.300 nan 0.000 0.462 194 T N 0.903 115.846 114.554 0.649 0.000 2.770 194 T HA 0.730 5.080 4.350 0.000 0.000 0.283 194 T C -0.767 174.124 174.700 0.318 0.000 0.988 194 T CA -0.695 61.620 62.100 0.358 0.000 0.957 194 T CB 0.952 69.942 68.868 0.204 0.000 0.930 194 T HN 0.309 nan 8.240 nan 0.000 0.443 195 V N 5.638 125.693 119.914 0.235 0.000 2.472 195 V HA 0.577 4.697 4.120 0.000 0.000 0.290 195 V C 0.181 176.319 176.094 0.074 0.000 1.037 195 V CA -0.720 61.685 62.300 0.176 0.000 0.908 195 V CB 1.438 33.392 31.823 0.218 0.000 0.985 195 V HN 0.943 nan 8.190 nan 0.000 0.454 196 M N 3.594 123.193 119.600 -0.002 0.000 2.690 196 M HA 0.700 5.180 4.480 0.000 0.000 0.302 196 M C -1.320 174.920 176.300 -0.100 0.000 1.234 196 M CA -0.886 54.389 55.300 -0.041 0.000 0.853 196 M CB 2.555 35.130 32.600 -0.043 0.000 1.748 196 M HN 0.346 nan 8.290 nan 0.000 0.469 197 V N -0.247 119.611 119.914 -0.093 0.000 2.769 197 V HA 0.269 4.389 4.120 0.000 0.000 0.312 197 V C -0.713 175.308 176.094 -0.122 0.000 1.061 197 V CA -0.867 61.369 62.300 -0.107 0.000 0.931 197 V CB 1.992 33.775 31.823 -0.068 0.000 1.010 197 V HN 0.701 nan 8.190 nan 0.000 0.433 198 D N 2.398 122.728 120.400 -0.117 0.000 2.426 198 D HA 0.130 4.770 4.640 0.000 0.000 0.261 198 D C 0.869 177.109 176.300 -0.099 0.000 1.245 198 D CA 0.823 54.758 54.000 -0.107 0.000 0.917 198 D CB 0.441 41.190 40.800 -0.085 0.000 1.123 198 D HN 0.676 nan 8.370 nan 0.000 0.508 199 Q N 0.977 120.693 119.800 -0.140 0.000 2.393 199 Q HA -0.250 4.090 4.340 0.000 0.000 0.235 199 Q C 0.982 176.945 176.000 -0.063 0.000 0.823 199 Q CA 1.733 57.467 55.803 -0.114 0.000 1.284 199 Q CB -1.713 27.017 28.738 -0.014 0.000 1.669 199 Q HN 0.462 nan 8.270 nan 0.000 0.597 200 T N -1.615 112.881 114.554 -0.098 0.000 3.044 200 T HA 0.183 4.533 4.350 0.000 0.000 0.250 200 T C 0.403 175.074 174.700 -0.048 0.000 1.081 200 T CA 0.624 62.694 62.100 -0.050 0.000 1.040 200 T CB 0.360 69.200 68.868 -0.047 0.000 0.962 200 T HN 0.470 nan 8.240 nan 0.000 0.506 201 S N 0.673 116.291 115.700 -0.137 0.000 2.579 201 S HA 0.747 5.217 4.470 0.000 0.000 0.272 201 S C -1.702 172.720 174.600 -0.297 0.000 1.141 201 S CA -1.002 57.154 58.200 -0.072 0.000 0.843 201 S CB 2.022 65.197 63.200 -0.041 0.000 1.122 201 S HN 0.305 nan 8.310 nan 0.000 0.468 202 H N -0.138 118.982 119.070 0.084 0.000 3.012 202 H HA 0.697 5.253 4.556 0.000 0.000 0.367 202 H C -1.059 174.406 175.328 0.230 0.000 1.211 202 H CA -0.625 55.554 56.048 0.219 0.000 1.139 202 H CB 1.729 31.681 29.762 0.316 0.000 1.838 202 H HN 0.627 nan 8.280 nan 0.000 0.550 203 M N 3.009 122.894 119.600 0.474 0.000 2.267 203 M HA 0.491 4.971 4.480 0.000 0.000 0.289 203 M C -1.790 174.771 176.300 0.436 0.000 1.043 203 M CA -0.675 54.760 55.300 0.226 0.000 0.928 203 M CB 1.874 34.511 32.600 0.061 0.000 1.613 203 M HN 0.634 nan 8.290 nan 0.000 0.450 204 F N 0.518 120.545 119.950 0.130 0.000 2.704 204 F HA 0.482 5.009 4.527 0.000 0.000 0.312 204 F C -0.657 175.141 175.800 -0.003 0.000 1.108 204 F CA -1.001 57.059 58.000 0.100 0.000 1.005 204 F CB 0.495 39.588 39.000 0.155 0.000 1.277 204 F HN 0.466 nan 8.300 nan 0.000 0.445 205 I N 0.478 121.065 120.570 0.028 0.000 2.206 205 I HA -0.010 4.160 4.170 0.000 0.000 0.239 205 I C 0.667 176.825 176.117 0.070 0.000 1.078 205 I CA 1.220 62.469 61.300 -0.084 0.000 1.367 205 I CB 0.013 37.947 38.000 -0.110 0.000 1.078 205 I HN 0.675 nan 8.210 nan 0.000 0.413 206 T N 1.229 115.889 114.554 0.176 0.000 2.794 206 T HA 0.435 4.785 4.350 0.000 0.000 0.280 206 T C 0.228 175.099 174.700 0.284 0.000 0.987 206 T CA -0.513 61.698 62.100 0.184 0.000 0.993 206 T CB 1.458 70.383 68.868 0.094 0.000 0.939 206 T HN 0.333 nan 8.240 nan 0.000 0.449 207 G N 3.214 112.174 108.800 0.266 0.000 2.484 207 G HA2 0.222 4.182 3.960 0.000 0.000 0.235 207 G HA3 0.222 4.182 3.960 0.000 0.000 0.235 207 G C -1.552 173.281 174.900 -0.112 0.000 1.282 207 G CA -1.127 44.057 45.100 0.139 0.000 0.857 207 G HN 0.425 nan 8.290 nan 0.000 0.571 208 P HA -0.073 nan 4.420 nan 0.000 0.221 208 P C 0.679 177.816 177.300 -0.273 0.000 1.145 208 P CA 1.307 64.156 63.100 -0.418 0.000 0.795 208 P CB 0.281 31.501 31.700 -0.801 0.000 0.775 209 D N -1.294 118.977 120.400 -0.214 0.000 2.144 209 D HA -0.088 4.552 4.640 0.000 0.000 0.207 209 D C 1.802 178.059 176.300 -0.072 0.000 0.970 209 D CA 0.732 54.655 54.000 -0.129 0.000 0.853 209 D CB -0.996 39.751 40.800 -0.089 0.000 1.007 209 D HN -0.077 nan 8.370 nan 0.000 0.469 210 V N 1.159 121.049 119.914 -0.040 0.000 2.688 210 V HA -0.190 3.930 4.120 0.000 0.000 0.256 210 V C 2.171 178.253 176.094 -0.021 0.000 1.084 210 V CA 1.070 63.362 62.300 -0.014 0.000 1.103 210 V CB -0.618 31.215 31.823 0.016 0.000 0.688 210 V HN 0.257 nan 8.190 nan 0.000 0.480 211 I N -0.023 120.522 120.570 -0.041 0.000 2.286 211 I HA -0.215 3.955 4.170 0.000 0.000 0.245 211 I C 2.570 178.663 176.117 -0.041 0.000 1.104 211 I CA 1.694 62.970 61.300 -0.039 0.000 1.397 211 I CB -0.354 37.610 38.000 -0.060 0.000 1.072 211 I HN 0.262 nan 8.210 nan 0.000 0.417 212 K N 0.988 121.354 120.400 -0.057 0.000 2.057 212 K HA -0.138 4.182 4.320 0.000 0.000 0.206 212 K C 1.804 178.383 176.600 -0.034 0.000 1.050 212 K CA 1.871 58.127 56.287 -0.051 0.000 0.935 212 K CB -0.058 32.404 32.500 -0.064 0.000 0.715 212 K HN 0.268 nan 8.250 nan 0.000 0.439 213 T N -0.337 114.199 114.554 -0.031 0.000 3.155 213 T HA -0.026 4.324 4.350 0.000 0.000 0.264 213 T C 1.484 176.176 174.700 -0.013 0.000 1.160 213 T CA 0.739 62.827 62.100 -0.020 0.000 1.075 213 T CB 0.233 69.091 68.868 -0.016 0.000 0.921 213 T HN 0.020 nan 8.240 nan 0.000 0.533 214 V N 1.000 120.906 119.914 -0.013 0.000 3.090 214 V HA 0.069 4.189 4.120 0.000 0.000 0.237 214 V C 2.615 178.704 176.094 -0.007 0.000 1.209 214 V CA 1.244 63.540 62.300 -0.006 0.000 1.209 214 V CB 0.375 32.198 31.823 -0.001 0.000 0.971 214 V HN 0.650 nan 8.190 nan 0.000 0.477 215 T N -3.699 110.848 114.554 -0.012 0.000 3.026 215 T HA 0.401 4.751 4.350 0.000 0.000 0.245 215 T C 1.556 176.247 174.700 -0.015 0.000 1.004 215 T CA 1.324 63.417 62.100 -0.011 0.000 1.069 215 T CB 1.138 70.000 68.868 -0.010 0.000 1.005 215 T HN 1.031 nan 8.240 nan 0.000 0.472 216 G N 1.251 110.037 108.800 -0.022 0.000 2.184 216 G HA2 -0.162 3.798 3.960 0.000 0.000 0.206 216 G HA3 -0.162 3.798 3.960 0.000 0.000 0.206 216 G C -0.257 174.624 174.900 -0.032 0.000 0.995 216 G CA -0.131 44.953 45.100 -0.026 0.000 0.651 216 G HN 0.656 nan 8.290 nan 0.000 0.511 217 E N 1.104 121.284 120.200 -0.034 0.000 2.384 217 E HA 0.319 4.669 4.350 0.000 0.000 0.266 217 E C -0.794 175.771 176.600 -0.058 0.000 1.012 217 E CA 0.101 56.477 56.400 -0.040 0.000 0.901 217 E CB 0.699 30.377 29.700 -0.037 0.000 0.967 217 E HN 0.199 nan 8.360 nan 0.000 0.435 218 D N 2.485 122.850 120.400 -0.059 0.000 2.414 218 D HA 0.281 4.921 4.640 0.000 0.000 0.232 218 D C -0.981 175.268 176.300 -0.085 0.000 1.070 218 D CA -0.185 53.770 54.000 -0.075 0.000 0.839 218 D CB 1.480 42.243 40.800 -0.061 0.000 1.079 218 D HN 0.211 nan 8.370 nan 0.000 0.521 219 V N -0.202 119.640 119.914 -0.121 0.000 3.012 219 V HA 0.884 5.004 4.120 0.000 0.000 0.307 219 V C 0.065 176.041 176.094 -0.197 0.000 1.166 219 V CA -0.917 61.305 62.300 -0.130 0.000 0.974 219 V CB 1.684 33.436 31.823 -0.118 0.000 1.040 219 V HN 0.398 nan 8.190 nan 0.000 0.428 220 G N 1.030 109.734 108.800 -0.160 0.000 2.437 220 G HA2 0.533 4.493 3.960 0.000 0.000 0.319 220 G HA3 0.533 4.493 3.960 0.000 0.000 0.319 220 G C -0.083 174.711 174.900 -0.176 0.000 1.158 220 G CA -0.547 44.440 45.100 -0.189 0.000 0.899 220 G HN 0.668 nan 8.290 nan 0.000 0.502 221 F N 0.417 120.275 119.950 -0.153 0.000 2.021 221 F HA -0.210 4.317 4.527 0.000 0.000 0.297 221 F C 2.698 178.512 175.800 0.023 0.000 1.152 221 F CA 2.255 60.145 58.000 -0.184 0.000 1.201 221 F CB -0.459 38.339 39.000 -0.337 0.000 0.951 221 F HN 0.551 nan 8.300 nan 0.000 0.504 222 E N 0.469 120.870 120.200 0.334 0.000 2.169 222 E HA -0.297 4.053 4.350 0.000 0.000 0.202 222 E C 1.988 178.627 176.600 0.066 0.000 1.016 222 E CA 2.041 58.569 56.400 0.214 0.000 0.817 222 E CB -0.448 29.338 29.700 0.143 0.000 0.736 222 E HN 0.608 nan 8.360 nan 0.000 0.462 223 E N -1.106 119.108 120.200 0.024 0.000 2.112 223 E HA -0.111 4.239 4.350 0.000 0.000 0.190 223 E C 2.052 178.618 176.600 -0.056 0.000 0.979 223 E CA 0.721 57.104 56.400 -0.029 0.000 0.814 223 E CB -0.196 29.480 29.700 -0.039 0.000 0.762 223 E HN 0.313 nan 8.360 nan 0.000 0.460 224 L N 0.132 121.319 121.223 -0.060 0.000 1.950 224 L HA 0.064 4.404 4.340 0.000 0.000 0.210 224 L C 1.735 178.561 176.870 -0.073 0.000 1.079 224 L CA 2.445 57.243 54.840 -0.070 0.000 0.754 224 L CB -0.522 41.460 42.059 -0.127 0.000 0.889 224 L HN 0.147 nan 8.230 nan 0.000 0.433 225 G N -0.804 108.011 108.800 0.025 0.000 4.331 225 G HA2 0.446 4.406 3.960 0.000 0.000 0.299 225 G HA3 0.446 4.406 3.960 0.000 0.000 0.299 225 G C 0.317 175.231 174.900 0.023 0.000 1.158 225 G CA 0.125 45.224 45.100 -0.002 0.000 0.916 225 G HN 0.657 nan 8.290 nan 0.000 0.553 226 G N -0.679 108.090 108.800 -0.051 0.000 2.634 226 G HA2 0.460 4.420 3.960 0.000 0.000 0.255 226 G HA3 0.460 4.420 3.960 0.000 0.000 0.255 226 G C 1.281 176.094 174.900 -0.145 0.000 1.205 226 G CA 0.308 45.334 45.100 -0.123 0.000 0.884 226 G HN 0.419 nan 8.290 nan 0.000 0.549 227 A N 0.657 123.383 122.820 -0.157 0.000 1.873 227 A HA -0.154 4.166 4.320 0.000 0.000 0.218 227 A C 2.345 179.886 177.584 -0.072 0.000 1.193 227 A CA 2.096 54.078 52.037 -0.092 0.000 0.629 227 A CB -0.568 18.357 19.000 -0.126 0.000 0.826 227 A HN 0.701 nan 8.150 nan 0.000 0.447 228 R N -0.955 119.494 120.500 -0.084 0.000 2.105 228 R HA -0.130 4.210 4.340 0.000 0.000 0.239 228 R C 2.152 178.423 176.300 -0.048 0.000 1.135 228 R CA 2.075 58.139 56.100 -0.059 0.000 0.967 228 R CB -0.599 29.670 30.300 -0.053 0.000 0.861 228 R HN 0.557 nan 8.270 nan 0.000 0.442 229 T N 0.107 114.605 114.554 -0.093 0.000 2.614 229 T HA -0.143 4.207 4.350 0.000 0.000 0.263 229 T C 1.473 176.126 174.700 -0.078 0.000 1.055 229 T CA 1.452 63.477 62.100 -0.126 0.000 1.162 229 T CB -0.452 68.260 68.868 -0.260 0.000 0.863 229 T HN 0.398 nan 8.240 nan 0.000 0.414 230 H N 1.103 120.165 119.070 -0.013 0.000 2.489 230 H HA 0.081 4.637 4.556 0.000 0.000 0.293 230 H C 1.307 176.582 175.328 -0.090 0.000 1.066 230 H CA 0.754 56.771 56.048 -0.052 0.000 1.305 230 H CB -0.421 29.304 29.762 -0.062 0.000 1.386 230 H HN 0.288 nan 8.280 nan 0.000 0.551 231 N N 0.064 118.796 118.700 0.053 0.000 2.346 231 N HA -0.012 4.728 4.740 0.000 0.000 0.225 231 N C 0.401 175.971 175.510 0.101 0.000 1.144 231 N CA 0.411 53.472 53.050 0.020 0.000 0.837 231 N CB 0.490 38.966 38.487 -0.020 0.000 1.069 231 N HN 0.282 nan 8.380 nan 0.000 0.487 232 S N -5.429 110.378 115.700 0.178 0.000 2.208 232 S HA 0.040 4.510 4.470 0.000 0.000 0.234 232 S C 1.019 175.813 174.600 0.323 0.000 0.907 232 S CA -0.331 58.033 58.200 0.273 0.000 1.616 232 S CB -0.024 63.248 63.200 0.119 0.000 1.218 232 S HN 0.056 nan 8.310 nan 0.000 0.588 233 T N 2.367 117.076 114.554 0.259 0.000 3.098 233 T HA 0.221 4.571 4.350 0.000 0.000 0.246 233 T C 1.954 176.820 174.700 0.277 0.000 0.983 233 T CA 1.024 63.256 62.100 0.221 0.000 1.094 233 T CB 0.068 68.995 68.868 0.097 0.000 1.035 233 T HN 0.546 nan 8.240 nan 0.000 0.456 234 S N 0.784 116.597 115.700 0.188 0.000 2.439 234 S HA 0.368 4.838 4.470 0.000 0.000 0.224 234 S C 1.934 176.440 174.600 -0.155 0.000 1.029 234 S CA 0.699 58.969 58.200 0.117 0.000 0.946 234 S CB -0.356 62.992 63.200 0.247 0.000 0.797 234 S HN 0.811 nan 8.310 nan 0.000 0.504 235 G N 0.929 109.382 108.800 -0.578 0.000 2.147 235 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 235 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 235 G C 0.694 175.165 174.900 -0.715 0.000 1.005 235 G CA 0.647 44.890 45.100 -1.428 0.000 0.713 235 G HN 1.433 nan 8.290 nan 0.000 0.515 236 V N -3.506 116.140 119.914 -0.447 0.000 3.174 236 V HA 0.749 4.869 4.120 0.000 0.000 0.254 236 V C 1.326 177.180 176.094 -0.400 0.000 1.120 236 V CA 1.440 63.516 62.300 -0.374 0.000 1.114 236 V CB 0.148 31.740 31.823 -0.385 0.000 0.756 236 V HN 1.704 nan 8.190 nan 0.000 0.467 237 A N -0.489 122.115 122.820 -0.360 0.000 2.306 237 A HA 0.726 5.046 4.320 0.000 0.000 0.330 237 A C 0.281 177.637 177.584 -0.381 0.000 1.146 237 A CA -0.205 51.678 52.037 -0.258 0.000 0.827 237 A CB 0.759 19.713 19.000 -0.078 0.000 1.178 237 A HN 0.555 nan 8.150 nan 0.000 0.490 238 H N -1.320 117.798 119.070 0.079 0.000 2.885 238 H HA 0.234 4.790 4.556 0.000 0.000 0.260 238 H C -0.376 175.031 175.328 0.132 0.000 0.985 238 H CA 0.891 57.031 56.048 0.152 0.000 1.210 238 H CB 0.552 30.519 29.762 0.342 0.000 1.466 238 H HN 0.785 nan 8.280 nan 0.000 0.493 239 H N -0.044 119.016 119.070 -0.016 0.000 3.085 239 H HA 0.357 4.913 4.556 0.000 0.000 0.356 239 H C -1.626 173.577 175.328 -0.209 0.000 1.178 239 H CA -0.879 55.021 56.048 -0.246 0.000 1.214 239 H CB 1.160 30.483 29.762 -0.732 0.000 1.881 239 H HN 0.024 nan 8.280 nan 0.000 0.538 240 M N 4.405 123.543 119.600 -0.769 0.000 2.078 240 M HA 0.702 5.182 4.480 0.000 0.000 0.320 240 M C -1.208 174.589 176.300 -0.839 0.000 0.969 240 M CA -0.659 54.294 55.300 -0.579 0.000 0.929 240 M CB 0.750 33.170 32.600 -0.299 0.000 1.504 240 M HN 0.752 nan 8.290 nan 0.000 0.419 241 A N 3.157 125.619 122.820 -0.598 0.000 2.281 241 A HA 0.756 5.076 4.320 0.000 0.000 0.329 241 A C 0.908 178.386 177.584 -0.177 0.000 1.122 241 A CA -0.201 51.622 52.037 -0.357 0.000 0.850 241 A CB 0.860 19.771 19.000 -0.149 0.000 1.207 241 A HN 0.999 nan 8.150 nan 0.000 0.495 242 G N -0.189 108.554 108.800 -0.095 0.000 2.394 242 G HA2 0.197 4.157 3.960 0.000 0.000 0.215 242 G HA3 0.197 4.157 3.960 0.000 0.000 0.215 242 G C 0.261 175.134 174.900 -0.043 0.000 1.165 242 G CA 1.283 46.346 45.100 -0.060 0.000 0.784 242 G HN 0.946 nan 8.290 nan 0.000 0.535 243 D N -1.847 118.538 120.400 -0.025 0.000 2.596 243 D HA 0.152 4.792 4.640 0.000 0.000 0.262 243 D C 0.257 176.558 176.300 0.001 0.000 1.210 243 D CA -0.646 53.346 54.000 -0.013 0.000 0.873 243 D CB 0.675 41.474 40.800 -0.001 0.000 1.408 243 D HN 0.073 nan 8.370 nan 0.000 0.441 244 E N -0.146 120.058 120.200 0.007 0.000 2.273 244 E HA -0.192 4.158 4.350 0.000 0.000 0.198 244 E C 1.360 177.981 176.600 0.034 0.000 1.002 244 E CA 1.171 57.582 56.400 0.018 0.000 0.828 244 E CB 0.093 29.803 29.700 0.018 0.000 0.747 244 E HN 0.349 nan 8.360 nan 0.000 0.491 245 K N 0.513 120.933 120.400 0.033 0.000 2.031 245 K HA -0.111 4.209 4.320 0.000 0.000 0.205 245 K C 1.613 178.252 176.600 0.066 0.000 1.049 245 K CA 1.335 57.647 56.287 0.041 0.000 0.939 245 K CB 0.018 32.536 32.500 0.031 0.000 0.717 245 K HN -0.005 nan 8.250 nan 0.000 0.438 246 D N 0.657 121.100 120.400 0.071 0.000 2.263 246 D HA -0.111 4.529 4.640 0.000 0.000 0.208 246 D C 1.596 178.002 176.300 0.176 0.000 0.971 246 D CA 0.982 55.051 54.000 0.115 0.000 0.867 246 D CB 0.039 40.894 40.800 0.093 0.000 0.929 246 D HN 0.233 nan 8.370 nan 0.000 0.492 247 A N 0.053 122.953 122.820 0.134 0.000 1.840 247 A HA -0.082 4.238 4.320 0.000 0.000 0.214 247 A C 2.355 180.058 177.584 0.197 0.000 1.198 247 A CA 0.857 52.998 52.037 0.175 0.000 0.608 247 A CB -0.776 18.281 19.000 0.095 0.000 0.839 247 A HN 0.110 nan 8.150 nan 0.000 0.443 248 V N 0.625 120.611 119.914 0.120 0.000 2.380 248 V HA -0.270 3.850 4.120 0.000 0.000 0.251 248 V C 2.623 178.776 176.094 0.099 0.000 1.063 248 V CA 2.528 64.882 62.300 0.090 0.000 1.055 248 V CB -0.819 31.033 31.823 0.048 0.000 0.657 248 V HN 0.740 nan 8.190 nan 0.000 0.455 249 E N -0.504 119.766 120.200 0.117 0.000 2.150 249 E HA -0.207 4.143 4.350 0.000 0.000 0.193 249 E C 1.906 178.598 176.600 0.153 0.000 0.985 249 E CA 1.272 57.734 56.400 0.103 0.000 0.814 249 E CB -0.434 29.329 29.700 0.105 0.000 0.752 249 E HN 0.639 nan 8.360 nan 0.000 0.466 250 Y N 0.995 121.353 120.300 0.097 0.000 2.044 250 Y HA -0.273 4.277 4.550 0.000 0.000 0.264 250 Y C 2.452 178.416 175.900 0.106 0.000 1.111 250 Y CA 2.648 60.830 58.100 0.137 0.000 1.088 250 Y CB -1.033 37.486 38.460 0.098 0.000 0.981 250 Y HN 0.032 nan 8.280 nan 0.000 0.478 251 V N -0.440 119.610 119.914 0.226 0.000 2.353 251 V HA -0.430 3.690 4.120 0.000 0.000 0.260 251 V C 2.026 178.068 176.094 -0.086 0.000 1.091 251 V CA 2.669 65.003 62.300 0.056 0.000 1.088 251 V CB -1.027 30.851 31.823 0.092 0.000 0.672 251 V HN 0.476 nan 8.190 nan 0.000 0.455 252 K N -0.542 119.815 120.400 -0.070 0.000 2.057 252 K HA -0.157 4.163 4.320 0.000 0.000 0.207 252 K C 2.523 178.963 176.600 -0.266 0.000 1.049 252 K CA 1.878 58.087 56.287 -0.129 0.000 0.931 252 K CB -0.316 32.135 32.500 -0.082 0.000 0.714 252 K HN 0.581 nan 8.250 nan 0.000 0.440 253 Q N 0.528 120.121 119.800 -0.344 0.000 2.050 253 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 253 Q C 2.238 177.746 176.000 -0.819 0.000 0.980 253 Q CA 1.045 56.460 55.803 -0.646 0.000 0.840 253 Q CB -0.313 27.932 28.738 -0.823 0.000 0.898 253 Q HN 0.195 nan 8.270 nan 0.000 0.424 254 L N 0.782 121.594 121.223 -0.684 0.000 2.043 254 L HA -0.194 4.146 4.340 0.000 0.000 0.212 254 L C 2.256 178.839 176.870 -0.477 0.000 1.075 254 L CA 1.554 56.053 54.840 -0.568 0.000 0.752 254 L CB -0.759 41.049 42.059 -0.419 0.000 0.891 254 L HN 0.172 nan 8.230 nan 0.000 0.432 255 L N -1.122 119.884 121.223 -0.361 0.000 2.201 255 L HA -0.136 4.204 4.340 0.000 0.000 0.212 255 L C 2.377 179.047 176.870 -0.333 0.000 1.105 255 L CA 1.134 55.802 54.840 -0.286 0.000 0.775 255 L CB -0.642 41.306 42.059 -0.185 0.000 0.913 255 L HN 0.422 nan 8.230 nan 0.000 0.440 256 S N -1.613 113.814 115.700 -0.456 0.000 2.603 256 S HA -0.103 4.367 4.470 0.000 0.000 0.229 256 S C 1.344 175.587 174.600 -0.594 0.000 0.972 256 S CA 0.519 58.428 58.200 -0.485 0.000 0.935 256 S CB -0.354 62.511 63.200 -0.559 0.000 0.769 256 S HN 0.428 nan 8.310 nan 0.000 0.536 257 Y N 0.697 120.747 120.300 -0.416 0.000 2.442 257 Y HA 0.547 5.097 4.550 0.000 0.000 0.250 257 Y C 0.608 176.292 175.900 -0.360 0.000 1.113 257 Y CA -0.704 57.137 58.100 -0.433 0.000 1.273 257 Y CB 0.295 38.268 38.460 -0.812 0.000 1.138 257 Y HN 0.196 nan 8.280 nan 0.000 0.522 258 L N 1.745 122.825 121.223 -0.238 0.000 2.319 258 L HA 0.505 4.845 4.340 0.000 0.000 0.267 258 L C -2.375 174.407 176.870 -0.145 0.000 1.011 258 L CA -2.219 52.509 54.840 -0.187 0.000 0.818 258 L CB 2.002 43.873 42.059 -0.313 0.000 1.316 258 L HN -0.254 nan 8.230 nan 0.000 0.432 259 P HA 0.166 nan 4.420 nan 0.000 0.278 259 P C -0.197 177.076 177.300 -0.045 0.000 1.266 259 P CA -0.477 62.601 63.100 -0.037 0.000 0.807 259 P CB 1.155 32.882 31.700 0.044 0.000 1.094 260 S N -0.041 115.641 115.700 -0.030 0.000 2.555 260 S HA -0.049 4.421 4.470 0.000 0.000 0.230 260 S C 0.711 175.329 174.600 0.029 0.000 0.978 260 S CA 0.751 58.938 58.200 -0.021 0.000 0.934 260 S CB -0.903 62.280 63.200 -0.028 0.000 0.766 260 S HN 0.753 nan 8.310 nan 0.000 0.533 261 N N -0.505 118.247 118.700 0.086 0.000 3.348 261 N HA 0.084 4.824 4.740 0.000 0.000 0.233 261 N C -0.276 175.352 175.510 0.197 0.000 1.440 261 N CA -0.525 52.618 53.050 0.156 0.000 0.887 261 N CB 0.008 38.537 38.487 0.071 0.000 1.410 261 N HN -0.095 nan 8.380 nan 0.000 0.502 262 N N -0.183 118.615 118.700 0.163 0.000 2.381 262 N HA -0.052 4.688 4.740 0.000 0.000 0.182 262 N C 0.549 176.076 175.510 0.028 0.000 1.025 262 N CA 0.794 53.884 53.050 0.067 0.000 0.888 262 N CB -0.319 38.109 38.487 -0.098 0.000 0.965 262 N HN 0.513 nan 8.380 nan 0.000 0.438 263 L N 0.195 121.431 121.223 0.021 0.000 2.749 263 L HA 0.181 4.521 4.340 0.000 0.000 0.245 263 L C 0.538 177.411 176.870 0.005 0.000 1.156 263 L CA 0.233 55.075 54.840 0.002 0.000 0.890 263 L CB -1.481 40.574 42.059 -0.006 0.000 1.036 263 L HN 0.298 nan 8.230 nan 0.000 0.441 264 S N -1.521 114.192 115.700 0.021 0.000 2.550 264 S HA 0.404 4.874 4.470 0.000 0.000 0.270 264 S C -0.553 174.061 174.600 0.022 0.000 1.145 264 S CA -0.879 57.328 58.200 0.011 0.000 0.852 264 S CB 1.153 64.351 63.200 -0.003 0.000 1.119 264 S HN 0.197 nan 8.310 nan 0.000 0.465 265 E N 2.918 123.121 120.200 0.004 0.000 2.408 265 E HA 0.258 4.608 4.350 0.000 0.000 0.259 265 E C -2.189 174.406 176.600 -0.008 0.000 1.110 265 E CA -1.668 54.736 56.400 0.007 0.000 0.929 265 E CB 0.183 29.878 29.700 -0.009 0.000 0.971 265 E HN 0.456 nan 8.360 nan 0.000 0.438 266 P HA 0.033 nan 4.420 nan 0.000 0.269 266 P C -2.310 174.926 177.300 -0.106 0.000 1.215 266 P CA -0.978 62.101 63.100 -0.036 0.000 0.780 266 P CB -0.256 31.447 31.700 0.003 0.000 0.898 267 P HA 0.083 nan 4.420 nan 0.000 0.271 267 P C -0.700 176.353 177.300 -0.411 0.000 1.228 267 P CA 0.340 63.259 63.100 -0.302 0.000 0.797 267 P CB 0.333 31.829 31.700 -0.339 0.000 0.914 268 A N -0.072 122.362 122.820 -0.644 0.000 2.612 268 A HA 0.647 4.967 4.320 0.000 0.000 0.293 268 A C -1.486 175.582 177.584 -0.860 0.000 1.075 268 A CA -0.518 51.160 52.037 -0.597 0.000 0.680 268 A CB 0.847 19.698 19.000 -0.248 0.000 1.279 268 A HN 0.295 nan 8.150 nan 0.000 0.411 269 F N 1.342 121.280 119.950 -0.020 0.000 2.566 269 F HA 0.293 4.820 4.527 0.000 0.000 0.347 269 F C -2.147 173.650 175.800 -0.005 0.000 1.515 269 F CA -2.001 55.987 58.000 -0.020 0.000 1.103 269 F CB 0.833 39.814 39.000 -0.031 0.000 1.385 269 F HN 0.298 nan 8.300 nan 0.000 0.560 270 P HA -0.033 nan 4.420 nan 0.000 0.261 270 P C -0.593 176.752 177.300 0.075 0.000 1.165 270 P CA 0.670 63.807 63.100 0.063 0.000 0.759 270 P CB 0.710 32.426 31.700 0.026 0.000 0.772 271 E N 1.322 121.561 120.200 0.065 0.000 2.349 271 E HA 0.283 4.633 4.350 0.000 0.000 0.290 271 E C -0.877 175.750 176.600 0.045 0.000 0.901 271 E CA -0.945 55.488 56.400 0.054 0.000 0.800 271 E CB 1.120 30.856 29.700 0.060 0.000 1.303 271 E HN 0.322 nan 8.360 nan 0.000 0.397 272 E N 1.526 121.747 120.200 0.035 0.000 2.467 272 E HA 0.185 4.535 4.350 0.000 0.000 0.264 272 E C -0.225 176.395 176.600 0.034 0.000 1.020 272 E CA 0.487 56.905 56.400 0.031 0.000 0.945 272 E CB 0.736 30.451 29.700 0.024 0.000 0.942 272 E HN 0.598 nan 8.360 nan 0.000 0.449 273 A N 2.627 125.468 122.820 0.035 0.000 2.269 273 A HA 0.149 4.469 4.320 0.000 0.000 0.327 273 A C -0.227 177.377 177.584 0.033 0.000 1.112 273 A CA -0.673 51.387 52.037 0.038 0.000 0.865 273 A CB 0.911 19.938 19.000 0.046 0.000 1.227 273 A HN 0.641 nan 8.150 nan 0.000 0.498 274 D N 1.236 121.657 120.400 0.035 0.000 2.338 274 D HA 0.133 4.773 4.640 0.000 0.000 0.255 274 D C 0.454 176.773 176.300 0.032 0.000 1.237 274 D CA -0.331 53.687 54.000 0.031 0.000 0.883 274 D CB 0.666 41.485 40.800 0.032 0.000 1.087 274 D HN 0.245 nan 8.370 nan 0.000 0.485 275 L N 2.812 124.050 121.223 0.025 0.000 2.552 275 L HA 0.125 4.465 4.340 0.000 0.000 0.227 275 L C 1.320 178.203 176.870 0.022 0.000 1.146 275 L CA 0.394 55.246 54.840 0.021 0.000 0.858 275 L CB -1.904 40.163 42.059 0.013 0.000 0.969 275 L HN 0.315 nan 8.230 nan 0.000 0.451 276 A N 0.306 123.140 122.820 0.023 0.000 2.257 276 A HA 0.514 4.834 4.320 0.000 0.000 0.290 276 A C 0.003 177.603 177.584 0.028 0.000 1.201 276 A CA -0.280 51.770 52.037 0.022 0.000 0.863 276 A CB 0.678 19.689 19.000 0.018 0.000 1.256 276 A HN 0.015 nan 8.150 nan 0.000 0.506 277 V N -0.354 119.575 119.914 0.024 0.000 2.318 277 V HA 0.525 4.645 4.120 0.000 0.000 0.271 277 V C 0.339 176.450 176.094 0.028 0.000 1.030 277 V CA -0.078 62.238 62.300 0.027 0.000 0.844 277 V CB -0.517 31.315 31.823 0.015 0.000 1.015 277 V HN 0.991 nan 8.190 nan 0.000 0.460 278 T N 0.388 114.966 114.554 0.039 0.000 2.856 278 T HA 0.157 4.507 4.350 0.000 0.000 0.306 278 T C 0.670 175.396 174.700 0.044 0.000 1.062 278 T CA 0.035 62.159 62.100 0.041 0.000 1.083 278 T CB 0.807 69.706 68.868 0.051 0.000 0.984 278 T HN 0.604 nan 8.240 nan 0.000 0.542 279 D N 0.664 121.087 120.400 0.039 0.000 2.265 279 D HA -0.039 4.601 4.640 0.000 0.000 0.208 279 D C 1.874 178.216 176.300 0.070 0.000 0.977 279 D CA 1.009 55.033 54.000 0.040 0.000 0.871 279 D CB -0.091 40.728 40.800 0.033 0.000 0.925 279 D HN 0.702 nan 8.370 nan 0.000 0.485 280 E N 0.441 120.703 120.200 0.103 0.000 2.046 280 E HA -0.098 4.252 4.350 0.000 0.000 0.190 280 E C 1.616 178.381 176.600 0.274 0.000 0.982 280 E CA 0.829 57.358 56.400 0.214 0.000 0.800 280 E CB -0.136 29.639 29.700 0.126 0.000 0.756 280 E HN 0.210 nan 8.360 nan 0.000 0.449 281 D N 0.677 121.183 120.400 0.177 0.000 2.133 281 D HA -0.234 4.406 4.640 0.000 0.000 0.192 281 D C 1.872 178.150 176.300 -0.036 0.000 1.001 281 D CA 1.753 55.806 54.000 0.089 0.000 0.844 281 D CB -0.537 40.297 40.800 0.058 0.000 0.944 281 D HN 0.219 nan 8.370 nan 0.000 0.447 282 A N 1.195 124.000 122.820 -0.026 0.000 1.917 282 A HA -0.274 4.046 4.320 0.000 0.000 0.219 282 A C 2.011 179.527 177.584 -0.113 0.000 1.182 282 A CA 1.972 53.968 52.037 -0.069 0.000 0.633 282 A CB -0.791 18.188 19.000 -0.035 0.000 0.819 282 A HN 0.309 nan 8.150 nan 0.000 0.448 283 E N -0.788 119.361 120.200 -0.086 0.000 2.253 283 E HA -0.240 4.110 4.350 0.000 0.000 0.202 283 E C 1.602 178.059 176.600 -0.239 0.000 1.014 283 E CA 1.164 57.491 56.400 -0.122 0.000 0.823 283 E CB -0.303 29.368 29.700 -0.049 0.000 0.736 283 E HN 0.464 nan 8.360 nan 0.000 0.478 284 L N 1.019 122.039 121.223 -0.339 0.000 2.156 284 L HA -0.114 4.226 4.340 0.000 0.000 0.208 284 L C 1.669 178.303 176.870 -0.393 0.000 1.095 284 L CA 1.469 56.073 54.840 -0.393 0.000 0.770 284 L CB -0.380 41.409 42.059 -0.451 0.000 0.914 284 L HN 0.012 nan 8.230 nan 0.000 0.439 285 D N -0.768 119.435 120.400 -0.329 0.000 2.357 285 D HA -0.147 4.493 4.640 0.000 0.000 0.216 285 D C 1.555 177.729 176.300 -0.211 0.000 0.973 285 D CA 1.652 55.478 54.000 -0.289 0.000 0.912 285 D CB 0.204 40.884 40.800 -0.201 0.000 0.900 285 D HN 0.489 nan 8.370 nan 0.000 0.501 286 T N -3.191 111.254 114.554 -0.181 0.000 3.087 286 T HA 0.079 4.429 4.350 0.000 0.000 0.283 286 T C 1.531 176.163 174.700 -0.113 0.000 0.956 286 T CA -0.383 61.644 62.100 -0.121 0.000 0.894 286 T CB -0.099 68.720 68.868 -0.081 0.000 1.160 286 T HN -0.095 nan 8.240 nan 0.000 0.532 287 I N 2.290 122.770 120.570 -0.151 0.000 2.286 287 I HA 0.127 4.297 4.170 0.000 0.000 0.248 287 I C 0.475 176.474 176.117 -0.197 0.000 1.115 287 I CA 0.839 62.062 61.300 -0.129 0.000 1.392 287 I CB 0.023 37.948 38.000 -0.125 0.000 1.065 287 I HN 0.161 nan 8.210 nan 0.000 0.418 288 V N 4.647 124.412 119.914 -0.249 0.000 2.408 288 V HA 0.237 4.357 4.120 0.000 0.000 0.267 288 V C -1.811 174.224 176.094 -0.098 0.000 1.047 288 V CA -1.386 60.737 62.300 -0.296 0.000 0.937 288 V CB 0.159 31.854 31.823 -0.212 0.000 0.999 288 V HN 0.238 nan 8.190 nan 0.000 0.472 289 P HA 0.171 nan 4.420 nan 0.000 0.272 289 P C 0.185 177.503 177.300 0.030 0.000 1.240 289 P CA -0.294 62.819 63.100 0.022 0.000 0.791 289 P CB 1.101 32.839 31.700 0.063 0.000 0.978 290 D N -0.718 119.700 120.400 0.029 0.000 2.219 290 D HA -0.081 4.559 4.640 0.000 0.000 0.205 290 D C 0.777 177.107 176.300 0.050 0.000 0.970 290 D CA 1.073 55.093 54.000 0.034 0.000 0.851 290 D CB 0.011 40.827 40.800 0.026 0.000 0.943 290 D HN 0.285 nan 8.370 nan 0.000 0.488 291 S N 0.464 116.197 115.700 0.054 0.000 2.430 291 S HA 0.293 4.763 4.470 0.000 0.000 0.282 291 S C 1.084 175.733 174.600 0.082 0.000 1.186 291 S CA -0.527 57.710 58.200 0.061 0.000 1.060 291 S CB 0.975 64.207 63.200 0.055 0.000 0.966 291 S HN 0.172 nan 8.310 nan 0.000 0.501 292 A N 5.158 128.028 122.820 0.084 0.000 2.259 292 A HA -0.010 4.310 4.320 0.000 0.000 0.212 292 A C 1.550 179.195 177.584 0.101 0.000 1.178 292 A CA 0.904 53.004 52.037 0.105 0.000 0.734 292 A CB -0.356 18.708 19.000 0.107 0.000 0.774 292 A HN 0.901 nan 8.150 nan 0.000 0.481 293 N N -1.381 117.368 118.700 0.083 0.000 2.166 293 N HA 0.035 4.775 4.740 0.000 0.000 0.213 293 N C 0.181 175.732 175.510 0.069 0.000 1.222 293 N CA -0.023 53.067 53.050 0.068 0.000 0.900 293 N CB 0.497 39.012 38.487 0.046 0.000 1.055 293 N HN 0.651 nan 8.380 nan 0.000 0.515 294 Q N 2.270 122.122 119.800 0.086 0.000 2.296 294 Q HA 0.314 4.654 4.340 0.000 0.000 0.257 294 Q C -2.615 173.470 176.000 0.141 0.000 0.942 294 Q CA -1.648 54.209 55.803 0.091 0.000 0.939 294 Q CB 1.395 30.183 28.738 0.084 0.000 1.198 294 Q HN -0.049 nan 8.270 nan 0.000 0.429 295 P HA 0.158 nan 4.420 nan 0.000 0.277 295 P C -1.695 175.705 177.300 0.167 0.000 1.240 295 P CA -0.079 63.072 63.100 0.085 0.000 0.798 295 P CB 0.390 32.091 31.700 0.001 0.000 0.979 296 Y N -2.018 118.315 120.300 0.055 0.000 2.553 296 Y HA 0.580 5.130 4.550 0.000 0.000 0.347 296 Y C -0.758 175.186 175.900 0.072 0.000 1.019 296 Y CA -1.815 56.322 58.100 0.061 0.000 1.032 296 Y CB 0.641 39.144 38.460 0.072 0.000 1.284 296 Y HN 0.120 nan 8.280 nan 0.000 0.466 297 D N 3.032 123.514 120.400 0.136 0.000 2.344 297 D HA 0.060 4.700 4.640 0.000 0.000 0.253 297 D C 0.894 177.296 176.300 0.170 0.000 1.255 297 D CA -0.014 54.040 54.000 0.090 0.000 0.894 297 D CB 1.124 41.983 40.800 0.099 0.000 1.067 297 D HN 0.779 nan 8.370 nan 0.000 0.492 298 M N 4.395 124.035 119.600 0.066 0.000 2.144 298 M HA -0.204 4.276 4.480 0.000 0.000 0.260 298 M C 1.550 177.925 176.300 0.126 0.000 1.067 298 M CA 1.751 57.100 55.300 0.082 0.000 1.095 298 M CB -0.380 32.216 32.600 -0.007 0.000 1.365 298 M HN 0.548 nan 8.290 nan 0.000 0.406 299 H N -1.740 117.386 119.070 0.093 0.000 2.362 299 H HA -0.189 4.367 4.556 0.000 0.000 0.294 299 H C 2.314 177.713 175.328 0.118 0.000 1.113 299 H CA 1.882 58.029 56.048 0.165 0.000 1.253 299 H CB -0.598 29.278 29.762 0.189 0.000 1.363 299 H HN 0.492 nan 8.280 nan 0.000 0.494 300 S N 0.329 116.197 115.700 0.280 0.000 2.383 300 S HA -0.120 4.350 4.470 0.000 0.000 0.229 300 S C 2.359 177.106 174.600 0.244 0.000 1.030 300 S CA 1.269 59.628 58.200 0.266 0.000 1.002 300 S CB -0.353 62.996 63.200 0.249 0.000 0.829 300 S HN 0.206 nan 8.310 nan 0.000 0.467 301 V N 1.686 121.668 119.914 0.113 0.000 2.358 301 V HA -0.103 4.018 4.120 0.000 0.000 0.246 301 V C 2.231 178.162 176.094 -0.272 0.000 1.047 301 V CA 1.682 63.970 62.300 -0.020 0.000 1.035 301 V CB -0.728 31.032 31.823 -0.105 0.000 0.658 301 V HN 0.490 nan 8.190 nan 0.000 0.452 302 I N 0.218 120.537 120.570 -0.420 0.000 2.193 302 I HA -0.176 3.994 4.170 0.000 0.000 0.240 302 I C 2.588 178.583 176.117 -0.203 0.000 1.084 302 I CA 1.479 62.454 61.300 -0.541 0.000 1.365 302 I CB -0.537 37.060 38.000 -0.671 0.000 1.064 302 I HN 0.320 nan 8.210 nan 0.000 0.410 303 E N 0.037 120.207 120.200 -0.051 0.000 2.333 303 E HA -0.262 4.088 4.350 0.000 0.000 0.200 303 E C 1.662 178.244 176.600 -0.030 0.000 1.010 303 E CA 1.172 57.580 56.400 0.012 0.000 0.841 303 E CB -0.255 29.491 29.700 0.077 0.000 0.757 303 E HN 0.632 nan 8.360 nan 0.000 0.508 304 H N -1.018 118.051 119.070 -0.002 0.000 2.544 304 H HA -0.019 4.537 4.556 0.000 0.000 0.269 304 H C 2.037 177.398 175.328 0.055 0.000 0.970 304 H CA 0.917 56.986 56.048 0.034 0.000 1.219 304 H CB 0.542 30.331 29.762 0.045 0.000 1.421 304 H HN 0.122 nan 8.280 nan 0.000 0.555 305 V N -2.010 117.986 119.914 0.137 0.000 3.085 305 V HA 0.180 4.300 4.120 0.000 0.000 0.245 305 V C 0.753 176.915 176.094 0.112 0.000 1.114 305 V CA 0.059 62.453 62.300 0.158 0.000 1.108 305 V CB -0.161 31.809 31.823 0.245 0.000 0.798 305 V HN 0.035 nan 8.190 nan 0.000 0.471 306 L N 2.485 123.749 121.223 0.068 0.000 2.380 306 L HA 0.355 4.695 4.340 0.000 0.000 0.273 306 L C -0.082 176.833 176.870 0.076 0.000 1.138 306 L CA -0.421 54.461 54.840 0.069 0.000 0.832 306 L CB 0.024 42.107 42.059 0.040 0.000 1.124 306 L HN 0.215 nan 8.230 nan 0.000 0.454 307 D N 2.601 123.057 120.400 0.094 0.000 2.506 307 D HA -0.088 4.552 4.640 0.000 0.000 0.234 307 D C 0.543 176.892 176.300 0.081 0.000 1.143 307 D CA 0.481 54.533 54.000 0.085 0.000 0.871 307 D CB 0.428 41.288 40.800 0.099 0.000 1.190 307 D HN 0.561 nan 8.370 nan 0.000 0.459 308 D N 1.202 121.636 120.400 0.057 0.000 2.931 308 D HA -0.291 4.349 4.640 0.000 0.000 0.228 308 D C 0.688 177.019 176.300 0.053 0.000 1.180 308 D CA 1.118 55.147 54.000 0.049 0.000 0.784 308 D CB -1.139 39.694 40.800 0.055 0.000 1.093 308 D HN 0.708 nan 8.370 nan 0.000 0.421 309 A N -0.509 122.336 122.820 0.042 0.000 2.774 309 A HA -0.300 4.020 4.320 0.000 0.000 0.290 309 A C 0.515 178.167 177.584 0.112 0.000 1.484 309 A CA 1.991 54.051 52.037 0.038 0.000 0.863 309 A CB -1.367 17.622 19.000 -0.019 0.000 0.989 309 A HN 0.425 nan 8.150 nan 0.000 0.554 310 E N -0.258 120.029 120.200 0.145 0.000 2.152 310 E HA 0.563 4.913 4.350 0.000 0.000 0.285 310 E C -0.704 176.086 176.600 0.317 0.000 1.043 310 E CA -0.492 56.037 56.400 0.215 0.000 0.839 310 E CB 0.180 29.999 29.700 0.197 0.000 1.069 310 E HN 0.614 nan 8.360 nan 0.000 0.399 311 F N 6.910 126.949 119.950 0.148 0.000 2.445 311 F HA 0.386 4.913 4.527 0.000 0.000 0.348 311 F C -1.865 174.052 175.800 0.195 0.000 1.125 311 F CA -1.987 56.096 58.000 0.138 0.000 0.983 311 F CB 0.417 39.468 39.000 0.086 0.000 1.198 311 F HN 0.443 nan 8.300 nan 0.000 0.436 312 F N 6.476 126.626 119.950 0.334 0.000 2.377 312 F HA 0.316 4.843 4.527 0.000 0.000 0.360 312 F C 0.244 175.963 175.800 -0.135 0.000 1.147 312 F CA -0.301 57.724 58.000 0.043 0.000 1.170 312 F CB 0.158 39.181 39.000 0.038 0.000 1.339 312 F HN 0.612 nan 8.300 nan 0.000 0.552 313 E N 3.573 123.384 120.200 -0.648 0.000 2.313 313 E HA 0.371 4.721 4.350 0.000 0.000 0.272 313 E C -0.694 175.658 176.600 -0.414 0.000 1.038 313 E CA -0.537 55.466 56.400 -0.662 0.000 0.863 313 E CB 1.012 30.238 29.700 -0.791 0.000 1.060 313 E HN 0.580 nan 8.360 nan 0.000 0.402 314 T N 1.277 115.685 114.554 -0.244 0.000 2.841 314 T HA 0.252 4.602 4.350 0.000 0.000 0.283 314 T C -0.432 174.274 174.700 0.009 0.000 1.000 314 T CA -0.683 61.389 62.100 -0.045 0.000 0.977 314 T CB 1.349 70.242 68.868 0.041 0.000 0.979 314 T HN 0.690 nan 8.240 nan 0.000 0.446 315 Q N 0.815 120.685 119.800 0.117 0.000 2.460 315 Q HA -0.115 4.225 4.340 0.000 0.000 0.311 315 Q C -1.991 174.060 176.000 0.085 0.000 1.396 315 Q CA 0.284 56.163 55.803 0.126 0.000 0.838 315 Q CB -1.510 27.336 28.738 0.181 0.000 1.140 315 Q HN 0.636 nan 8.270 nan 0.000 0.415 316 P HA -0.124 nan 4.420 nan 0.000 0.223 316 P C 0.910 178.241 177.300 0.051 0.000 1.151 316 P CA 0.913 64.027 63.100 0.023 0.000 0.787 316 P CB 0.230 31.925 31.700 -0.007 0.000 0.788 317 L N -3.448 117.817 121.223 0.070 0.000 2.477 317 L HA 0.175 4.515 4.340 0.000 0.000 0.220 317 L C 0.832 177.775 176.870 0.121 0.000 1.106 317 L CA -0.105 54.780 54.840 0.075 0.000 0.851 317 L CB -0.227 41.864 42.059 0.054 0.000 0.994 317 L HN -0.059 nan 8.230 nan 0.000 0.462 318 F N 1.213 121.154 119.950 -0.014 0.000 2.420 318 F HA 0.575 5.102 4.527 0.000 0.000 0.342 318 F C 0.852 176.633 175.800 -0.032 0.000 1.113 318 F CA -0.857 57.130 58.000 -0.022 0.000 1.059 318 F CB 1.013 39.999 39.000 -0.024 0.000 1.128 318 F HN 0.019 nan 8.300 nan 0.000 0.475 319 A N 5.514 127.906 122.820 -0.715 0.000 2.519 319 A HA -0.193 4.127 4.320 0.000 0.000 0.297 319 A C -2.085 175.368 177.584 -0.218 0.000 1.472 319 A CA 0.450 52.162 52.037 -0.540 0.000 0.739 319 A CB -2.094 16.610 19.000 -0.493 0.000 1.096 319 A HN 0.674 nan 8.150 nan 0.000 0.414 320 P HA -0.171 nan 4.420 nan 0.000 0.223 320 P C 1.251 178.566 177.300 0.025 0.000 1.144 320 P CA 1.427 64.528 63.100 0.002 0.000 0.783 320 P CB -0.159 31.596 31.700 0.092 0.000 0.771 321 N N -0.517 118.150 118.700 -0.055 0.000 2.609 321 N HA -0.072 4.668 4.740 0.000 0.000 0.190 321 N C 0.472 175.976 175.510 -0.010 0.000 1.157 321 N CA 0.556 53.603 53.050 -0.005 0.000 0.918 321 N CB -0.258 38.171 38.487 -0.097 0.000 0.978 321 N HN 0.259 nan 8.380 nan 0.000 0.448 322 I N -0.385 120.175 120.570 -0.015 0.000 2.775 322 I HA 0.328 4.498 4.170 0.000 0.000 0.295 322 I C -1.716 174.408 176.117 0.011 0.000 1.287 322 I CA -1.031 60.271 61.300 0.004 0.000 1.029 322 I CB 1.840 39.840 38.000 0.001 0.000 1.282 322 I HN -0.191 nan 8.210 nan 0.000 0.426 323 L N 5.745 126.980 121.223 0.020 0.000 2.322 323 L HA 0.687 5.027 4.340 0.000 0.000 0.281 323 L C -0.418 176.450 176.870 -0.003 0.000 1.014 323 L CA -0.542 54.302 54.840 0.007 0.000 0.815 323 L CB 1.798 43.864 42.059 0.011 0.000 1.247 323 L HN 0.610 nan 8.230 nan 0.000 0.421 324 T N -0.514 113.960 114.554 -0.133 0.000 2.928 324 T HA 0.867 5.217 4.350 0.000 0.000 0.296 324 T C -0.231 174.120 174.700 -0.582 0.000 1.000 324 T CA -0.333 61.506 62.100 -0.435 0.000 0.989 324 T CB 2.049 70.418 68.868 -0.832 0.000 1.005 324 T HN 0.904 nan 8.240 nan 0.000 0.442 325 G N 1.740 110.317 108.800 -0.371 0.000 2.578 325 G HA2 0.670 4.630 3.960 0.000 0.000 0.302 325 G HA3 0.670 4.630 3.960 0.000 0.000 0.302 325 G C -2.046 172.856 174.900 0.004 0.000 1.243 325 G CA -0.927 44.127 45.100 -0.077 0.000 0.843 325 G HN 0.612 nan 8.290 nan 0.000 0.486 326 F N -0.936 119.197 119.950 0.305 0.000 2.691 326 F HA 0.899 5.426 4.527 0.000 0.000 0.334 326 F C 0.815 176.528 175.800 -0.145 0.000 1.107 326 F CA 0.319 58.279 58.000 -0.067 0.000 0.991 326 F CB 2.266 40.860 39.000 -0.677 0.000 1.400 326 F HN 1.016 nan 8.300 nan 0.000 0.503 327 G N 0.046 108.835 108.800 -0.019 0.000 2.341 327 G HA2 0.582 4.542 3.960 0.000 0.000 0.299 327 G HA3 0.582 4.542 3.960 0.000 0.000 0.299 327 G C -2.041 173.012 174.900 0.255 0.000 1.274 327 G CA -1.076 44.100 45.100 0.125 0.000 0.853 327 G HN 0.491 nan 8.290 nan 0.000 0.493 328 R N -1.184 119.459 120.500 0.238 0.000 2.673 328 R HA 0.639 4.979 4.340 0.000 0.000 0.281 328 R C -1.644 174.746 176.300 0.151 0.000 0.991 328 R CA -0.742 55.489 56.100 0.219 0.000 0.896 328 R CB 2.781 33.226 30.300 0.242 0.000 1.201 328 R HN 0.342 nan 8.270 nan 0.000 0.457 329 V N 2.342 122.333 119.914 0.129 0.000 2.380 329 V HA 0.187 4.307 4.120 0.000 0.000 0.286 329 V C 0.272 176.420 176.094 0.089 0.000 1.015 329 V CA -0.346 62.016 62.300 0.104 0.000 0.834 329 V CB 1.038 32.919 31.823 0.097 0.000 1.009 329 V HN 0.976 nan 8.190 nan 0.000 0.428 330 E N 3.553 123.804 120.200 0.085 0.000 2.694 330 E HA -0.243 4.107 4.350 0.000 0.000 0.272 330 E C 1.227 177.875 176.600 0.081 0.000 1.040 330 E CA 0.791 57.234 56.400 0.072 0.000 0.809 330 E CB -1.088 28.646 29.700 0.057 0.000 1.389 330 E HN 1.533 nan 8.360 nan 0.000 0.413 331 G N -0.252 108.613 108.800 0.108 0.000 2.205 331 G HA2 -0.370 3.590 3.960 0.000 0.000 0.261 331 G HA3 -0.370 3.590 3.960 0.000 0.000 0.261 331 G C 0.193 175.154 174.900 0.103 0.000 0.980 331 G CA 0.509 45.692 45.100 0.139 0.000 0.632 331 G HN 0.266 nan 8.290 nan 0.000 0.533 332 R N 1.204 121.751 120.500 0.079 0.000 2.255 332 R HA 0.495 4.835 4.340 0.000 0.000 0.326 332 R C -2.596 173.770 176.300 0.110 0.000 0.986 332 R CA -1.942 54.190 56.100 0.053 0.000 0.847 332 R CB 1.157 31.477 30.300 0.033 0.000 1.111 332 R HN 0.085 nan 8.270 nan 0.000 0.452 333 P HA -0.106 nan 4.420 nan 0.000 0.264 333 P C -0.617 176.811 177.300 0.212 0.000 1.183 333 P CA 0.108 63.355 63.100 0.244 0.000 0.763 333 P CB 0.657 32.494 31.700 0.229 0.000 0.807 334 V N 0.895 120.954 119.914 0.242 0.000 3.156 334 V HA 0.993 5.113 4.120 0.000 0.000 0.311 334 V C -0.182 176.045 176.094 0.222 0.000 1.208 334 V CA -1.001 61.410 62.300 0.186 0.000 1.063 334 V CB 1.894 33.791 31.823 0.124 0.000 1.098 334 V HN 0.564 nan 8.190 nan 0.000 0.452 335 G N 0.375 109.231 108.800 0.094 0.000 2.566 335 G HA2 0.759 4.719 3.960 0.000 0.000 0.311 335 G HA3 0.759 4.719 3.960 0.000 0.000 0.311 335 G C -1.347 173.594 174.900 0.069 0.000 1.322 335 G CA -0.753 44.332 45.100 -0.025 0.000 0.969 335 G HN 0.804 nan 8.290 nan 0.000 0.490 336 I N 1.375 122.040 120.570 0.158 0.000 2.433 336 I HA 0.495 4.665 4.170 0.000 0.000 0.292 336 I C -0.641 175.601 176.117 0.208 0.000 1.001 336 I CA -1.105 60.282 61.300 0.145 0.000 1.119 336 I CB 2.390 40.379 38.000 -0.018 0.000 1.289 336 I HN 0.082 nan 8.210 nan 0.000 0.438 337 V N 4.818 124.844 119.914 0.187 0.000 2.577 337 V HA 0.913 5.033 4.120 0.000 0.000 0.303 337 V C -0.306 175.889 176.094 0.168 0.000 1.042 337 V CA -0.391 62.012 62.300 0.172 0.000 0.872 337 V CB 1.615 33.555 31.823 0.195 0.000 0.998 337 V HN 0.909 nan 8.190 nan 0.000 0.423 338 A N 3.925 126.827 122.820 0.136 0.000 2.612 338 A HA 0.742 5.062 4.320 0.000 0.000 0.293 338 A C -1.128 176.498 177.584 0.070 0.000 1.075 338 A CA -0.845 51.273 52.037 0.136 0.000 0.680 338 A CB 1.397 20.516 19.000 0.200 0.000 1.279 338 A HN 0.792 nan 8.150 nan 0.000 0.411 339 N N 0.696 119.425 118.700 0.047 0.000 2.499 339 N HA 0.453 5.193 4.740 0.000 0.000 0.281 339 N C -0.474 175.028 175.510 -0.013 0.000 1.098 339 N CA -0.230 52.827 53.050 0.011 0.000 0.979 339 N CB 1.139 39.623 38.487 -0.006 0.000 1.121 339 N HN 0.588 nan 8.380 nan 0.000 0.466 340 Q N 3.674 123.471 119.800 -0.006 0.000 2.509 340 Q HA 0.325 4.665 4.340 0.000 0.000 0.230 340 Q C -2.244 173.728 176.000 -0.046 0.000 1.089 340 Q CA -2.068 53.728 55.803 -0.012 0.000 0.901 340 Q CB 1.229 30.005 28.738 0.064 0.000 1.208 340 Q HN 0.366 nan 8.270 nan 0.000 0.529 341 P HA -0.192 nan 4.420 nan 0.000 0.218 341 P C 0.907 178.157 177.300 -0.084 0.000 1.146 341 P CA 1.347 64.357 63.100 -0.149 0.000 0.813 341 P CB 0.135 31.627 31.700 -0.346 0.000 0.778 342 M N -1.714 117.837 119.600 -0.082 0.000 2.267 342 M HA -0.120 4.360 4.480 0.000 0.000 0.263 342 M C 0.529 176.819 176.300 -0.016 0.000 1.063 342 M CA 1.514 56.790 55.300 -0.041 0.000 1.090 342 M CB -0.760 31.827 32.600 -0.023 0.000 1.392 342 M HN 0.073 nan 8.290 nan 0.000 0.422 343 Q N 0.035 119.867 119.800 0.052 0.000 2.322 343 Q HA 0.252 4.592 4.340 0.000 0.000 0.265 343 Q C -0.276 175.906 176.000 0.302 0.000 0.985 343 Q CA -0.484 55.418 55.803 0.165 0.000 0.849 343 Q CB 1.176 30.106 28.738 0.321 0.000 1.274 343 Q HN 0.321 nan 8.270 nan 0.000 0.449 344 F N 0.629 120.560 119.950 -0.031 0.000 3.099 344 F HA -0.345 4.182 4.527 0.000 0.000 0.276 344 F C 1.024 176.809 175.800 -0.024 0.000 0.914 344 F CA 0.883 58.866 58.000 -0.027 0.000 0.948 344 F CB -2.396 36.585 39.000 -0.032 0.000 0.983 344 F HN 0.812 nan 8.300 nan 0.000 0.638 345 A N -1.472 121.401 122.820 0.089 0.000 2.872 345 A HA 0.210 4.530 4.320 0.000 0.000 0.273 345 A C 1.745 179.362 177.584 0.055 0.000 1.442 345 A CA 1.127 53.197 52.037 0.055 0.000 0.801 345 A CB -1.813 17.221 19.000 0.056 0.000 1.031 345 A HN 2.571 nan 8.150 nan 0.000 0.582 346 G N -2.190 106.645 108.800 0.058 0.000 2.393 346 G HA2 -0.134 3.826 3.960 0.000 0.000 0.299 346 G HA3 -0.134 3.826 3.960 0.000 0.000 0.299 346 G C 0.521 175.425 174.900 0.006 0.000 0.990 346 G CA 0.656 45.770 45.100 0.023 0.000 1.118 346 G HN 1.658 nan 8.290 nan 0.000 0.513 347 C N -0.600 118.711 119.300 0.019 0.000 2.403 347 C HA 0.728 5.188 4.460 0.000 0.000 0.361 347 C C 1.062 175.999 174.990 -0.088 0.000 1.274 347 C CA -0.680 58.322 59.018 -0.028 0.000 2.433 347 C CB 0.920 28.674 27.740 0.023 0.000 2.323 347 C HN 0.567 nan 8.230 nan 0.000 0.614 348 L N 2.844 123.967 121.223 -0.166 0.000 2.307 348 L HA 0.515 4.855 4.340 0.000 0.000 0.284 348 L C -0.030 176.853 176.870 0.022 0.000 1.023 348 L CA 0.235 54.980 54.840 -0.158 0.000 0.810 348 L CB 0.949 42.721 42.059 -0.479 0.000 1.231 348 L HN 0.822 nan 8.230 nan 0.000 0.423 349 D N 2.525 122.953 120.400 0.046 0.000 2.752 349 D HA 0.256 4.896 4.640 0.000 0.000 0.313 349 D C 0.964 177.300 176.300 0.060 0.000 1.225 349 D CA -0.638 53.406 54.000 0.074 0.000 0.976 349 D CB 1.027 41.806 40.800 -0.035 0.000 1.443 349 D HN 0.294 nan 8.370 nan 0.000 0.515 350 I N 0.396 120.990 120.570 0.040 0.000 2.052 350 I HA -0.330 3.840 4.170 0.000 0.000 0.235 350 I C 2.700 178.835 176.117 0.029 0.000 1.046 350 I CA 2.796 64.121 61.300 0.042 0.000 1.308 350 I CB -0.947 37.072 38.000 0.032 0.000 1.031 350 I HN 0.642 nan 8.210 nan 0.000 0.395 351 T N -0.186 114.339 114.554 -0.049 0.000 2.737 351 T HA -0.212 4.138 4.350 0.000 0.000 0.269 351 T C 1.929 176.580 174.700 -0.081 0.000 1.040 351 T CA 1.311 63.342 62.100 -0.116 0.000 1.142 351 T CB -0.693 67.863 68.868 -0.520 0.000 0.861 351 T HN 0.432 nan 8.240 nan 0.000 0.456 352 A N 1.723 124.481 122.820 -0.103 0.000 1.855 352 A HA 0.015 4.335 4.320 0.000 0.000 0.215 352 A C 2.759 180.375 177.584 0.054 0.000 1.191 352 A CA 1.903 53.915 52.037 -0.043 0.000 0.613 352 A CB -1.222 17.740 19.000 -0.064 0.000 0.829 352 A HN 0.518 nan 8.150 nan 0.000 0.442 353 S N 0.086 115.833 115.700 0.079 0.000 2.368 353 S HA -0.230 4.240 4.470 0.000 0.000 0.226 353 S C 1.892 176.561 174.600 0.115 0.000 1.044 353 S CA 1.751 60.020 58.200 0.115 0.000 1.062 353 S CB -0.472 62.810 63.200 0.136 0.000 0.931 353 S HN 0.673 nan 8.310 nan 0.000 0.440 354 E N 0.996 121.271 120.200 0.124 0.000 2.051 354 E HA -0.204 4.146 4.350 0.000 0.000 0.192 354 E C 2.187 178.889 176.600 0.170 0.000 0.991 354 E CA 0.911 57.393 56.400 0.136 0.000 0.799 354 E CB -0.239 29.555 29.700 0.157 0.000 0.748 354 E HN 0.480 nan 8.360 nan 0.000 0.449 355 K N 1.100 121.644 120.400 0.240 0.000 1.977 355 K HA -0.231 4.089 4.320 0.000 0.000 0.218 355 K C 2.271 178.982 176.600 0.185 0.000 1.051 355 K CA 1.686 58.127 56.287 0.257 0.000 0.953 355 K CB -0.247 32.421 32.500 0.280 0.000 0.727 355 K HN 0.080 nan 8.250 nan 0.000 0.445 356 A N 0.957 123.862 122.820 0.142 0.000 1.865 356 A HA -0.163 4.157 4.320 0.000 0.000 0.217 356 A C 2.367 180.020 177.584 0.114 0.000 1.191 356 A CA 2.332 54.451 52.037 0.136 0.000 0.623 356 A CB -1.158 17.900 19.000 0.098 0.000 0.826 356 A HN 0.600 nan 8.150 nan 0.000 0.444 357 A N -0.461 122.404 122.820 0.074 0.000 1.852 357 A HA -0.285 4.035 4.320 0.000 0.000 0.217 357 A C 2.279 179.887 177.584 0.041 0.000 1.215 357 A CA 2.211 54.267 52.037 0.031 0.000 0.641 357 A CB -0.729 18.305 19.000 0.057 0.000 0.838 357 A HN 0.403 nan 8.150 nan 0.000 0.450 358 R N -1.396 119.151 120.500 0.079 0.000 2.133 358 R HA -0.187 4.153 4.340 0.000 0.000 0.247 358 R C 1.903 178.270 176.300 0.113 0.000 1.151 358 R CA 2.052 58.198 56.100 0.077 0.000 0.971 358 R CB -0.981 29.377 30.300 0.095 0.000 0.866 358 R HN 0.592 nan 8.270 nan 0.000 0.447 359 F N 0.673 120.621 119.950 -0.003 0.000 2.084 359 F HA -0.174 4.353 4.527 0.000 0.000 0.296 359 F C 2.238 178.015 175.800 -0.040 0.000 1.111 359 F CA 1.341 59.339 58.000 -0.004 0.000 1.224 359 F CB -0.619 38.388 39.000 0.010 0.000 0.991 359 F HN -0.213 nan 8.300 nan 0.000 0.471 360 V N 1.653 121.509 119.914 -0.097 0.000 2.282 360 V HA -0.351 3.769 4.120 0.000 0.000 0.249 360 V C 2.505 178.472 176.094 -0.211 0.000 1.057 360 V CA 2.360 64.494 62.300 -0.276 0.000 1.032 360 V CB -0.990 30.596 31.823 -0.394 0.000 0.645 360 V HN 0.307 nan 8.190 nan 0.000 0.447 361 R N -0.064 120.366 120.500 -0.117 0.000 2.193 361 R HA -0.115 4.225 4.340 0.000 0.000 0.229 361 R C 2.279 178.534 176.300 -0.075 0.000 1.110 361 R CA 1.728 57.785 56.100 -0.072 0.000 0.988 361 R CB -0.843 29.442 30.300 -0.025 0.000 0.871 361 R HN 0.557 nan 8.270 nan 0.000 0.458 362 T N 0.444 114.948 114.554 -0.082 0.000 2.770 362 T HA -0.099 4.251 4.350 0.000 0.000 0.263 362 T C 2.024 176.791 174.700 0.111 0.000 1.039 362 T CA 1.007 63.123 62.100 0.027 0.000 1.142 362 T CB -0.230 68.621 68.868 -0.029 0.000 0.868 362 T HN 0.321 nan 8.240 nan 0.000 0.435 363 C N 1.632 120.862 119.300 -0.116 0.000 2.432 363 C HA -0.036 4.424 4.460 0.000 0.000 0.282 363 C C 2.596 177.588 174.990 0.002 0.000 1.388 363 C CA 0.489 59.472 59.018 -0.058 0.000 1.777 363 C CB -0.870 26.679 27.740 -0.318 0.000 1.882 363 C HN 0.606 nan 8.230 nan 0.000 0.520 364 D N 0.794 121.162 120.400 -0.054 0.000 2.162 364 D HA -0.013 4.627 4.640 0.000 0.000 0.205 364 D C 2.211 178.467 176.300 -0.074 0.000 0.964 364 D CA 1.497 55.466 54.000 -0.051 0.000 0.847 364 D CB -0.232 40.529 40.800 -0.065 0.000 0.988 364 D HN 0.322 nan 8.370 nan 0.000 0.480 365 A N -0.544 122.186 122.820 -0.149 0.000 1.978 365 A HA -0.082 4.238 4.320 0.000 0.000 0.220 365 A C 1.233 178.533 177.584 -0.472 0.000 1.170 365 A CA 0.890 52.710 52.037 -0.361 0.000 0.636 365 A CB -0.730 17.934 19.000 -0.561 0.000 0.810 365 A HN 0.308 nan 8.150 nan 0.000 0.448 366 F N -0.070 119.882 119.950 0.005 0.000 2.923 366 F HA 0.243 4.770 4.527 0.000 0.000 0.314 366 F C 0.448 176.259 175.800 0.017 0.000 1.196 366 F CA -0.418 57.593 58.000 0.018 0.000 1.320 366 F CB -1.006 38.021 39.000 0.045 0.000 0.953 366 F HN 0.324 nan 8.300 nan 0.000 0.505 367 N N -0.801 117.960 118.700 0.101 0.000 2.710 367 N HA -0.179 4.561 4.740 0.000 0.000 0.249 367 N C -0.831 174.732 175.510 0.088 0.000 1.059 367 N CA -0.021 53.072 53.050 0.071 0.000 0.720 367 N CB -1.364 37.157 38.487 0.055 0.000 0.983 367 N HN 0.099 nan 8.380 nan 0.000 0.544 368 V N 0.415 120.398 119.914 0.114 0.000 2.370 368 V HA 0.355 4.475 4.120 0.000 0.000 0.279 368 V C -1.734 174.402 176.094 0.070 0.000 1.029 368 V CA -1.595 60.782 62.300 0.127 0.000 0.870 368 V CB 1.493 33.446 31.823 0.217 0.000 0.984 368 V HN -0.056 nan 8.190 nan 0.000 0.451 369 P HA 0.137 nan 4.420 nan 0.000 0.270 369 P C -0.817 176.495 177.300 0.021 0.000 1.223 369 P CA -0.049 63.072 63.100 0.035 0.000 0.785 369 P CB 0.561 32.286 31.700 0.041 0.000 0.923 370 V N 3.379 123.298 119.914 0.009 0.000 2.325 370 V HA 0.234 4.354 4.120 0.000 0.000 0.280 370 V C 0.082 176.183 176.094 0.012 0.000 1.016 370 V CA -0.416 61.887 62.300 0.005 0.000 0.818 370 V CB 0.571 32.390 31.823 -0.006 0.000 1.019 370 V HN 0.361 nan 8.190 nan 0.000 0.434 371 L N 4.172 125.391 121.223 -0.007 0.000 2.349 371 L HA 0.595 4.935 4.340 0.000 0.000 0.275 371 L C 0.538 177.322 176.870 -0.142 0.000 1.115 371 L CA 0.203 54.977 54.840 -0.110 0.000 0.820 371 L CB 1.477 43.487 42.059 -0.081 0.000 1.135 371 L HN 0.697 nan 8.230 nan 0.000 0.445 372 T N 1.816 116.192 114.554 -0.297 0.000 2.879 372 T HA 0.575 4.925 4.350 0.000 0.000 0.290 372 T C -0.905 173.503 174.700 -0.486 0.000 0.993 372 T CA -0.454 61.527 62.100 -0.199 0.000 0.975 372 T CB 0.643 69.527 68.868 0.026 0.000 0.981 372 T HN 0.195 nan 8.240 nan 0.000 0.439 373 F N 3.770 123.685 119.950 -0.057 0.000 2.411 373 F HA 0.614 5.141 4.527 0.000 0.000 0.352 373 F C 0.138 175.875 175.800 -0.106 0.000 1.123 373 F CA -0.816 57.113 58.000 -0.119 0.000 1.044 373 F CB 1.878 40.807 39.000 -0.118 0.000 1.135 373 F HN 0.373 nan 8.300 nan 0.000 0.461 374 V N 2.119 122.014 119.914 -0.032 0.000 2.630 374 V HA 0.580 4.700 4.120 0.000 0.000 0.305 374 V C -0.736 175.339 176.094 -0.032 0.000 1.046 374 V CA -0.621 61.656 62.300 -0.038 0.000 0.934 374 V CB 1.868 33.647 31.823 -0.073 0.000 1.003 374 V HN 0.713 nan 8.190 nan 0.000 0.451 375 D N 2.100 122.491 120.400 -0.015 0.000 2.484 375 D HA 0.191 4.831 4.640 0.000 0.000 0.223 375 D C -1.826 174.475 176.300 0.003 0.000 1.350 375 D CA 0.012 54.015 54.000 0.005 0.000 0.940 375 D CB 1.526 42.361 40.800 0.058 0.000 1.525 375 D HN 0.470 nan 8.370 nan 0.000 0.504 376 V N 5.151 125.063 119.914 -0.002 0.000 2.733 376 V HA 0.621 4.741 4.120 0.000 0.000 0.306 376 V C -1.999 174.161 176.094 0.110 0.000 1.084 376 V CA -1.766 60.540 62.300 0.010 0.000 0.905 376 V CB 2.684 34.471 31.823 -0.061 0.000 1.010 376 V HN 0.173 nan 8.190 nan 0.000 0.424 377 P HA 0.302 nan 4.420 nan 0.000 0.219 377 P C 0.574 178.032 177.300 0.263 0.000 1.154 377 P CA 1.597 64.904 63.100 0.345 0.000 0.826 377 P CB 0.772 32.574 31.700 0.170 0.000 0.795 378 G N -1.073 107.767 108.800 0.066 0.000 2.367 378 G HA2 0.302 4.262 3.960 0.000 0.000 0.272 378 G HA3 0.302 4.262 3.960 0.000 0.000 0.272 378 G C -1.808 172.989 174.900 -0.172 0.000 1.271 378 G CA -0.814 44.289 45.100 0.004 0.000 0.893 378 G HN -0.060 nan 8.290 nan 0.000 0.485 379 F N 0.822 120.815 119.950 0.071 0.000 2.408 379 F HA 0.558 5.085 4.527 0.000 0.000 0.344 379 F C 0.972 176.795 175.800 0.038 0.000 1.112 379 F CA -0.575 57.455 58.000 0.050 0.000 1.096 379 F CB 1.772 40.798 39.000 0.044 0.000 1.129 379 F HN 0.426 nan 8.300 nan 0.000 0.486 380 L N 6.219 127.542 121.223 0.167 0.000 2.700 380 L HA 0.114 4.454 4.340 0.000 0.000 0.276 380 L C -2.300 174.637 176.870 0.111 0.000 1.200 380 L CA -1.058 53.848 54.840 0.110 0.000 0.951 380 L CB 0.088 42.186 42.059 0.064 0.000 1.226 380 L HN 0.366 nan 8.230 nan 0.000 0.489 381 P HA 0.515 nan 4.420 nan 0.000 0.274 381 P C -0.774 176.552 177.300 0.044 0.000 1.237 381 P CA -0.311 62.828 63.100 0.065 0.000 0.793 381 P CB 1.246 32.976 31.700 0.050 0.000 0.977 382 G N -0.520 108.296 108.800 0.027 0.000 2.249 382 G HA2 0.084 4.044 3.960 0.000 0.000 0.252 382 G HA3 0.084 4.044 3.960 0.000 0.000 0.252 382 G C 0.255 175.148 174.900 -0.012 0.000 1.697 382 G CA -0.726 44.377 45.100 0.006 0.000 0.916 382 G HN 0.241 nan 8.290 nan 0.000 0.725 383 V N 2.024 121.904 119.914 -0.056 0.000 2.392 383 V HA -0.161 3.959 4.120 0.000 0.000 0.249 383 V C 2.854 178.865 176.094 -0.138 0.000 1.059 383 V CA 2.701 64.922 62.300 -0.131 0.000 1.051 383 V CB -0.473 31.199 31.823 -0.252 0.000 0.658 383 V HN 0.927 nan 8.190 nan 0.000 0.455 384 D N -0.284 120.063 120.400 -0.089 0.000 2.123 384 D HA -0.261 4.379 4.640 0.000 0.000 0.196 384 D C 1.930 178.246 176.300 0.027 0.000 0.992 384 D CA 1.378 55.358 54.000 -0.033 0.000 0.833 384 D CB -0.430 40.360 40.800 -0.017 0.000 0.954 384 D HN 0.410 nan 8.370 nan 0.000 0.455 385 Q N 0.545 120.360 119.800 0.024 0.000 1.985 385 Q HA -0.205 4.135 4.340 0.000 0.000 0.207 385 Q C 2.223 178.260 176.000 0.061 0.000 0.996 385 Q CA 1.756 57.584 55.803 0.041 0.000 0.851 385 Q CB -0.604 28.160 28.738 0.042 0.000 0.921 385 Q HN 0.356 nan 8.270 nan 0.000 0.418 386 E N 0.282 120.526 120.200 0.073 0.000 2.049 386 E HA -0.210 4.140 4.350 0.000 0.000 0.198 386 E C 1.885 178.580 176.600 0.157 0.000 1.007 386 E CA 1.671 58.131 56.400 0.101 0.000 0.809 386 E CB -0.280 29.496 29.700 0.127 0.000 0.749 386 E HN 0.405 nan 8.360 nan 0.000 0.450 387 H N 0.088 119.158 119.070 -0.001 0.000 2.421 387 H HA -0.030 4.526 4.556 0.000 0.000 0.298 387 H C 0.928 176.257 175.328 0.002 0.000 1.087 387 H CA 1.544 57.593 56.048 0.001 0.000 1.330 387 H CB -0.115 29.649 29.762 0.003 0.000 1.388 387 H HN 0.193 nan 8.280 nan 0.000 0.526 388 D N -0.371 120.106 120.400 0.129 0.000 2.324 388 D HA 0.116 4.756 4.640 0.000 0.000 0.235 388 D C 0.713 177.039 176.300 0.044 0.000 1.095 388 D CA 0.804 54.847 54.000 0.072 0.000 0.871 388 D CB -0.309 40.527 40.800 0.060 0.000 0.906 388 D HN 0.504 nan 8.370 nan 0.000 0.522 389 G N 1.773 110.594 108.800 0.036 0.000 2.368 389 G HA2 -0.299 3.661 3.960 0.000 0.000 0.290 389 G HA3 -0.299 3.661 3.960 0.000 0.000 0.290 389 G C 0.831 175.739 174.900 0.013 0.000 1.098 389 G CA 0.225 45.333 45.100 0.013 0.000 1.073 389 G HN 0.359 nan 8.290 nan 0.000 0.511 390 I N -0.121 120.457 120.570 0.013 0.000 2.546 390 I HA 0.090 4.260 4.170 0.000 0.000 0.255 390 I C 2.373 178.474 176.117 -0.026 0.000 1.163 390 I CA 0.969 62.273 61.300 0.006 0.000 1.457 390 I CB -0.163 37.840 38.000 0.005 0.000 1.092 390 I HN 0.511 nan 8.210 nan 0.000 0.434 391 I N 1.110 121.657 120.570 -0.039 0.000 2.179 391 I HA -0.298 3.872 4.170 0.000 0.000 0.242 391 I C 2.485 178.583 176.117 -0.030 0.000 1.088 391 I CA 1.839 63.107 61.300 -0.054 0.000 1.357 391 I CB -0.431 37.540 38.000 -0.047 0.000 1.051 391 I HN 0.326 nan 8.210 nan 0.000 0.409 392 R N 0.759 121.248 120.500 -0.018 0.000 2.240 392 R HA 0.030 4.370 4.340 0.000 0.000 0.203 392 R C 1.944 178.239 176.300 -0.008 0.000 1.011 392 R CA 0.522 56.613 56.100 -0.014 0.000 1.007 392 R CB -0.227 30.062 30.300 -0.019 0.000 0.911 392 R HN 0.273 nan 8.270 nan 0.000 0.468 393 R N 0.287 120.790 120.500 0.006 0.000 2.254 393 R HA 0.185 4.525 4.340 0.000 0.000 0.193 393 R C 2.136 178.467 176.300 0.051 0.000 0.929 393 R CA 0.646 56.760 56.100 0.023 0.000 1.038 393 R CB 0.256 30.576 30.300 0.033 0.000 1.009 393 R HN 0.366 nan 8.270 nan 0.000 0.512 394 G N 0.830 109.660 108.800 0.050 0.000 2.464 394 G HA2 -0.146 3.814 3.960 0.000 0.000 0.217 394 G HA3 -0.146 3.814 3.960 0.000 0.000 0.217 394 G C 1.499 176.465 174.900 0.110 0.000 1.138 394 G CA 0.608 45.768 45.100 0.100 0.000 0.793 394 G HN 0.318 nan 8.290 nan 0.000 0.539 395 A N 1.274 124.135 122.820 0.068 0.000 1.933 395 A HA 0.004 4.324 4.320 0.000 0.000 0.218 395 A C 2.227 179.891 177.584 0.134 0.000 1.175 395 A CA 1.884 53.981 52.037 0.099 0.000 0.628 395 A CB -0.376 18.671 19.000 0.078 0.000 0.814 395 A HN 0.358 nan 8.150 nan 0.000 0.444 396 K N -0.597 119.850 120.400 0.078 0.000 2.097 396 K HA -0.256 4.064 4.320 0.000 0.000 0.214 396 K C 1.902 178.580 176.600 0.130 0.000 1.052 396 K CA 1.889 58.211 56.287 0.059 0.000 0.932 396 K CB -0.590 31.926 32.500 0.027 0.000 0.716 396 K HN 0.521 nan 8.250 nan 0.000 0.455 397 L N 1.168 122.478 121.223 0.144 0.000 2.012 397 L HA -0.204 4.136 4.340 0.000 0.000 0.210 397 L C 2.508 179.522 176.870 0.239 0.000 1.073 397 L CA 1.318 56.259 54.840 0.168 0.000 0.748 397 L CB -0.255 41.924 42.059 0.201 0.000 0.891 397 L HN 0.322 nan 8.230 nan 0.000 0.431 398 I N -2.060 118.656 120.570 0.244 0.000 2.179 398 I HA -0.344 3.826 4.170 0.000 0.000 0.242 398 I C 2.446 178.708 176.117 0.240 0.000 1.088 398 I CA 1.653 63.095 61.300 0.237 0.000 1.357 398 I CB -0.416 37.682 38.000 0.164 0.000 1.051 398 I HN 0.178 nan 8.210 nan 0.000 0.409 399 F N 2.027 122.019 119.950 0.071 0.000 2.091 399 F HA -0.272 4.255 4.527 0.000 0.000 0.299 399 F C 2.550 178.374 175.800 0.039 0.000 1.103 399 F CA 2.218 60.245 58.000 0.045 0.000 1.228 399 F CB -0.362 38.655 39.000 0.029 0.000 0.984 399 F HN 0.218 nan 8.300 nan 0.000 0.477 400 A N -0.742 122.274 122.820 0.326 0.000 1.908 400 A HA -0.264 4.056 4.320 0.000 0.000 0.218 400 A C 1.972 179.591 177.584 0.058 0.000 1.181 400 A CA 1.957 54.081 52.037 0.145 0.000 0.627 400 A CB -1.446 17.555 19.000 0.002 0.000 0.818 400 A HN 0.535 nan 8.150 nan 0.000 0.445 401 Y N -0.447 119.878 120.300 0.041 0.000 2.220 401 Y HA 0.047 4.597 4.550 0.000 0.000 0.291 401 Y C 2.910 178.776 175.900 -0.057 0.000 1.129 401 Y CA 0.559 58.650 58.100 -0.015 0.000 1.161 401 Y CB -0.622 37.824 38.460 -0.023 0.000 0.997 401 Y HN 0.324 nan 8.280 nan 0.000 0.522 402 A N 0.000 122.875 122.820 0.092 0.000 1.898 402 A HA -0.233 4.087 4.320 0.000 0.000 0.216 402 A C 2.177 179.704 177.584 -0.094 0.000 1.181 402 A CA 1.821 53.833 52.037 -0.042 0.000 0.620 402 A CB -0.756 18.172 19.000 -0.118 0.000 0.819 402 A HN 0.552 nan 8.150 nan 0.000 0.442 403 E N 0.342 120.464 120.200 -0.130 0.000 2.150 403 E HA 0.069 4.419 4.350 0.000 0.000 0.193 403 E C 1.078 177.646 176.600 -0.053 0.000 0.985 403 E CA 0.522 56.843 56.400 -0.132 0.000 0.814 403 E CB -0.325 29.317 29.700 -0.096 0.000 0.752 403 E HN 0.552 nan 8.360 nan 0.000 0.466 404 A N 0.313 123.124 122.820 -0.016 0.000 2.507 404 A HA 0.100 4.420 4.320 0.000 0.000 0.235 404 A C 0.908 178.483 177.584 -0.016 0.000 1.070 404 A CA 0.779 52.809 52.037 -0.012 0.000 0.768 404 A CB 0.256 19.261 19.000 0.009 0.000 1.011 404 A HN 0.442 nan 8.150 nan 0.000 0.502 405 T N -1.788 112.755 114.554 -0.020 0.000 3.080 405 T HA 0.314 4.664 4.350 0.000 0.000 0.280 405 T C 0.491 175.182 174.700 -0.014 0.000 0.926 405 T CA 0.498 62.585 62.100 -0.021 0.000 0.883 405 T CB -1.395 67.455 68.868 -0.028 0.000 1.194 405 T HN 1.353 nan 8.240 nan 0.000 0.541 406 V N -0.330 119.578 119.914 -0.010 0.000 3.441 406 V HA 0.508 4.628 4.120 0.000 0.000 0.300 406 V C -2.790 173.305 176.094 0.002 0.000 1.091 406 V CA -2.272 60.027 62.300 -0.002 0.000 1.099 406 V CB -0.370 31.455 31.823 0.002 0.000 1.138 406 V HN -0.049 nan 8.190 nan 0.000 0.471 407 P HA 0.314 nan 4.420 nan 0.000 0.268 407 P C -0.820 176.482 177.300 0.004 0.000 1.204 407 P CA 0.333 63.434 63.100 0.002 0.000 0.768 407 P CB 0.187 31.891 31.700 0.006 0.000 0.842 408 L N 4.927 126.147 121.223 -0.005 0.000 2.345 408 L HA 0.480 4.820 4.340 0.000 0.000 0.274 408 L C -0.163 176.680 176.870 -0.045 0.000 0.999 408 L CA -0.313 54.523 54.840 -0.006 0.000 0.849 408 L CB 0.885 42.945 42.059 0.002 0.000 1.220 408 L HN 0.266 nan 8.230 nan 0.000 0.422 409 I N 2.509 123.044 120.570 -0.060 0.000 2.362 409 I HA 0.340 4.510 4.170 0.000 0.000 0.289 409 I C -0.242 175.767 176.117 -0.179 0.000 0.994 409 I CA -0.134 61.108 61.300 -0.096 0.000 1.158 409 I CB 2.171 40.128 38.000 -0.072 0.000 1.315 409 I HN 0.481 nan 8.210 nan 0.000 0.451 410 T N 5.789 120.223 114.554 -0.200 0.000 2.792 410 T HA 0.474 4.824 4.350 0.000 0.000 0.280 410 T C -0.332 174.197 174.700 -0.286 0.000 0.990 410 T CA -0.481 61.459 62.100 -0.267 0.000 0.960 410 T CB 1.939 70.659 68.868 -0.247 0.000 0.939 410 T HN 0.138 nan 8.240 nan 0.000 0.439 411 V N 4.882 124.552 119.914 -0.408 0.000 2.409 411 V HA 0.412 4.532 4.120 0.000 0.000 0.291 411 V C -0.332 175.562 176.094 -0.335 0.000 1.020 411 V CA -0.917 61.161 62.300 -0.371 0.000 0.848 411 V CB 1.474 33.053 31.823 -0.406 0.000 0.990 411 V HN 0.761 nan 8.190 nan 0.000 0.430 412 I N 5.357 125.742 120.570 -0.308 0.000 2.297 412 I HA 0.215 4.385 4.170 0.000 0.000 0.291 412 I C 1.501 177.365 176.117 -0.422 0.000 1.033 412 I CA 0.173 61.318 61.300 -0.259 0.000 1.253 412 I CB 1.355 39.264 38.000 -0.151 0.000 1.396 412 I HN 0.811 nan 8.210 nan 0.000 0.476 413 T N 3.505 117.794 114.554 -0.442 0.000 3.010 413 T HA 0.138 4.489 4.350 0.000 0.000 0.252 413 T C 1.484 176.119 174.700 -0.108 0.000 1.047 413 T CA 0.431 62.196 62.100 -0.559 0.000 1.140 413 T CB 0.844 69.361 68.868 -0.585 0.000 0.885 413 T HN 0.591 nan 8.240 nan 0.000 0.464 414 R N 0.003 120.472 120.500 -0.050 0.000 4.185 414 R HA 0.318 4.658 4.340 0.000 0.000 0.103 414 R C -0.712 175.548 176.300 -0.067 0.000 1.154 414 R CA -0.531 55.577 56.100 0.013 0.000 0.855 414 R CB 0.443 30.821 30.300 0.131 0.000 0.964 414 R HN -0.053 nan 8.270 nan 0.000 0.384 415 K N 1.337 121.710 120.400 -0.046 0.000 2.401 415 K HA 0.340 4.660 4.320 0.000 0.000 0.278 415 K C -0.978 175.423 176.600 -0.332 0.000 1.018 415 K CA 0.483 56.652 56.287 -0.197 0.000 0.981 415 K CB 1.451 33.974 32.500 0.038 0.000 0.933 415 K HN 0.461 nan 8.250 nan 0.000 0.477 416 A N 4.002 126.374 122.820 -0.747 0.000 2.771 416 A HA 0.456 4.776 4.320 0.000 0.000 0.301 416 A C -1.538 175.669 177.584 -0.628 0.000 1.194 416 A CA -0.773 50.998 52.037 -0.443 0.000 0.837 416 A CB 0.075 18.893 19.000 -0.304 0.000 1.438 416 A HN 0.465 nan 8.150 nan 0.000 0.436 417 F N 1.247 121.254 119.950 0.094 0.000 2.518 417 F HA 0.667 5.194 4.527 0.000 0.000 0.323 417 F C 1.166 177.054 175.800 0.147 0.000 1.129 417 F CA 0.178 58.234 58.000 0.094 0.000 0.920 417 F CB 1.815 40.856 39.000 0.067 0.000 1.160 417 F HN 1.107 nan 8.300 nan 0.000 0.440 418 G N 2.167 111.175 108.800 0.345 0.000 2.627 418 G HA2 -0.291 3.669 3.960 0.000 0.000 0.312 418 G HA3 -0.291 3.669 3.960 0.000 0.000 0.312 418 G C 1.359 176.451 174.900 0.319 0.000 1.299 418 G CA 0.336 45.613 45.100 0.295 0.000 0.989 418 G HN 1.266 nan 8.290 nan 0.000 0.547 419 G N -0.116 108.891 108.800 0.345 0.000 2.479 419 G HA2 0.197 4.157 3.960 0.000 0.000 0.220 419 G HA3 0.197 4.157 3.960 0.000 0.000 0.220 419 G C 2.063 177.222 174.900 0.432 0.000 1.115 419 G CA 2.703 48.033 45.100 0.384 0.000 0.757 419 G HN 1.803 nan 8.290 nan 0.000 0.560 420 A N 0.209 123.222 122.820 0.323 0.000 1.933 420 A HA -0.029 4.291 4.320 0.000 0.000 0.218 420 A C 2.155 179.762 177.584 0.037 0.000 1.175 420 A CA 1.684 53.689 52.037 -0.053 0.000 0.628 420 A CB -0.599 18.280 19.000 -0.202 0.000 0.814 420 A HN 0.552 nan 8.150 nan 0.000 0.444 421 Y N 0.668 120.977 120.300 0.015 0.000 2.163 421 Y HA -0.151 4.399 4.550 0.000 0.000 0.288 421 Y C 1.907 177.809 175.900 0.004 0.000 1.136 421 Y CA 1.475 59.563 58.100 -0.019 0.000 1.147 421 Y CB -0.361 38.094 38.460 -0.008 0.000 0.987 421 Y HN 0.258 nan 8.280 nan 0.000 0.509 422 I N -0.483 119.947 120.570 -0.234 0.000 2.118 422 I HA -0.346 3.824 4.170 0.000 0.000 0.241 422 I C 2.300 178.275 176.117 -0.236 0.000 1.070 422 I CA 1.731 62.858 61.300 -0.288 0.000 1.327 422 I CB -0.848 37.139 38.000 -0.021 0.000 1.034 422 I HN 0.127 nan 8.210 nan 0.000 0.405 423 V N 0.456 120.337 119.914 -0.055 0.000 2.380 423 V HA -0.238 3.882 4.120 0.000 0.000 0.251 423 V C 1.493 177.530 176.094 -0.094 0.000 1.063 423 V CA 1.234 63.544 62.300 0.017 0.000 1.055 423 V CB -0.551 31.372 31.823 0.166 0.000 0.657 423 V HN 0.386 nan 8.190 nan 0.000 0.455 424 M N 0.954 120.435 119.600 -0.199 0.000 3.254 424 M HA 0.264 4.744 4.480 0.000 0.000 0.257 424 M C 1.307 177.237 176.300 -0.618 0.000 1.490 424 M CA 0.163 55.299 55.300 -0.273 0.000 1.620 424 M CB -1.181 31.327 32.600 -0.154 0.000 1.157 424 M HN 0.409 nan 8.290 nan 0.000 0.541 425 G N 2.633 110.644 108.800 -1.315 0.000 2.441 425 G HA2 -0.254 3.706 3.960 0.000 0.000 0.298 425 G HA3 -0.254 3.706 3.960 0.000 0.000 0.298 425 G C 0.536 175.045 174.900 -0.652 0.000 0.949 425 G CA 0.665 44.986 45.100 -1.298 0.000 1.072 425 G HN 0.763 nan 8.290 nan 0.000 0.512 426 S N -1.226 114.116 115.700 -0.596 0.000 2.608 426 S HA 0.352 4.822 4.470 0.000 0.000 0.261 426 S C 1.497 175.780 174.600 -0.528 0.000 1.314 426 S CA 0.244 58.093 58.200 -0.585 0.000 0.992 426 S CB 1.495 64.216 63.200 -0.798 0.000 0.935 426 S HN 0.574 nan 8.310 nan 0.000 0.564 427 K N 0.181 120.202 120.400 -0.632 0.000 2.209 427 K HA -0.160 4.160 4.320 0.000 0.000 0.204 427 K C 1.413 177.678 176.600 -0.558 0.000 1.048 427 K CA 1.383 57.345 56.287 -0.541 0.000 0.940 427 K CB -0.348 31.882 32.500 -0.450 0.000 0.729 427 K HN 0.764 nan 8.250 nan 0.000 0.451 428 H N -0.383 118.541 119.070 -0.242 0.000 2.559 428 H HA -0.034 4.522 4.556 0.000 0.000 0.273 428 H C 0.862 176.085 175.328 -0.174 0.000 1.000 428 H CA 0.585 56.504 56.048 -0.216 0.000 1.195 428 H CB 0.296 29.906 29.762 -0.253 0.000 1.368 428 H HN 0.148 nan 8.280 nan 0.000 0.592 429 L N -0.208 120.916 121.223 -0.165 0.000 2.700 429 L HA 0.266 4.606 4.340 0.000 0.000 0.234 429 L C 1.400 178.200 176.870 -0.116 0.000 1.156 429 L CA 0.625 55.389 54.840 -0.127 0.000 0.946 429 L CB 0.106 42.067 42.059 -0.163 0.000 1.216 429 L HN 0.455 nan 8.230 nan 0.000 0.493 430 G N -0.894 107.827 108.800 -0.132 0.000 2.130 430 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 430 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 430 G C 0.547 175.385 174.900 -0.104 0.000 0.999 430 G CA 0.055 45.094 45.100 -0.101 0.000 0.686 430 G HN 0.628 nan 8.290 nan 0.000 0.515 431 A N -0.250 122.478 122.820 -0.153 0.000 2.425 431 A HA 0.576 4.896 4.320 0.000 0.000 0.242 431 A C 1.207 178.730 177.584 -0.102 0.000 1.077 431 A CA 0.793 52.748 52.037 -0.137 0.000 0.781 431 A CB 0.394 19.273 19.000 -0.202 0.000 1.020 431 A HN 0.208 nan 8.150 nan 0.000 0.494 432 D N -0.235 120.122 120.400 -0.072 0.000 2.197 432 D HA 0.109 4.749 4.640 0.000 0.000 0.212 432 D C -0.418 175.858 176.300 -0.039 0.000 0.963 432 D CA 1.162 55.133 54.000 -0.048 0.000 0.864 432 D CB 0.068 40.850 40.800 -0.030 0.000 1.009 432 D HN 0.245 nan 8.370 nan 0.000 0.479 433 L N 1.325 122.523 121.223 -0.042 0.000 2.404 433 L HA 0.282 4.622 4.340 0.000 0.000 0.272 433 L C -0.983 175.855 176.870 -0.054 0.000 0.980 433 L CA -0.295 54.532 54.840 -0.022 0.000 0.836 433 L CB 1.675 43.744 42.059 0.017 0.000 1.238 433 L HN -0.192 nan 8.230 nan 0.000 0.408 434 N N 4.971 123.637 118.700 -0.055 0.000 2.564 434 N HA 0.517 5.257 4.740 0.000 0.000 0.248 434 N C -1.020 174.452 175.510 -0.064 0.000 0.986 434 N CA -0.820 52.181 53.050 -0.082 0.000 0.921 434 N CB 1.472 39.906 38.487 -0.088 0.000 1.136 434 N HN 0.210 nan 8.380 nan 0.000 0.509 435 L N 1.618 122.785 121.223 -0.093 0.000 2.439 435 L HA 0.774 5.114 4.340 0.000 0.000 0.259 435 L C 0.455 177.260 176.870 -0.109 0.000 1.129 435 L CA -0.786 53.993 54.840 -0.102 0.000 0.803 435 L CB 0.639 42.621 42.059 -0.129 0.000 1.161 435 L HN 0.506 nan 8.230 nan 0.000 0.462 436 A N 0.414 123.193 122.820 -0.068 0.000 2.465 436 A HA 0.564 4.884 4.320 0.000 0.000 0.292 436 A C -1.597 176.036 177.584 0.083 0.000 1.041 436 A CA -0.633 51.360 52.037 -0.073 0.000 0.718 436 A CB 0.642 19.575 19.000 -0.110 0.000 1.266 436 A HN 0.482 nan 8.150 nan 0.000 0.403 437 W N 2.358 123.595 121.300 -0.106 0.000 2.237 437 W HA 0.460 5.120 4.660 0.000 0.000 0.335 437 W C -2.054 174.397 176.519 -0.113 0.000 1.230 437 W CA -1.962 55.327 57.345 -0.094 0.000 1.253 437 W CB 0.036 29.457 29.460 -0.065 0.000 1.129 437 W HN 0.496 nan 8.180 nan 0.000 0.590 438 P HA -0.130 nan 4.420 nan 0.000 0.222 438 P C 1.222 178.576 177.300 0.090 0.000 1.147 438 P CA 1.962 65.107 63.100 0.075 0.000 0.790 438 P CB -0.004 31.768 31.700 0.121 0.000 0.780 439 T N -3.432 111.206 114.554 0.140 0.000 3.473 439 T HA 0.485 4.835 4.350 0.000 0.000 0.247 439 T C 0.462 175.218 174.700 0.093 0.000 1.010 439 T CA -0.436 61.735 62.100 0.119 0.000 0.940 439 T CB -0.902 68.048 68.868 0.137 0.000 1.068 439 T HN -0.026 nan 8.240 nan 0.000 0.604 440 A N 1.687 124.531 122.820 0.039 0.000 2.374 440 A HA 0.711 5.031 4.320 0.000 0.000 0.317 440 A C -0.482 177.058 177.584 -0.074 0.000 1.094 440 A CA -1.146 50.872 52.037 -0.032 0.000 0.765 440 A CB 1.352 20.305 19.000 -0.077 0.000 1.268 440 A HN 0.584 nan 8.150 nan 0.000 0.438 441 Q N 1.857 121.584 119.800 -0.123 0.000 2.320 441 Q HA 0.605 4.945 4.340 0.000 0.000 0.268 441 Q C -1.679 174.127 176.000 -0.324 0.000 1.023 441 Q CA -0.320 55.400 55.803 -0.138 0.000 0.744 441 Q CB 1.252 29.991 28.738 0.000 0.000 1.246 441 Q HN 0.582 nan 8.270 nan 0.000 0.462 442 I N 2.235 122.650 120.570 -0.258 0.000 2.337 442 I HA 0.688 4.858 4.170 0.000 0.000 0.285 442 I C -0.429 175.562 176.117 -0.210 0.000 1.041 442 I CA -0.532 60.557 61.300 -0.350 0.000 1.199 442 I CB 1.308 39.077 38.000 -0.385 0.000 1.370 442 I HN 0.764 nan 8.210 nan 0.000 0.470 443 A N 4.504 127.258 122.820 -0.109 0.000 2.566 443 A HA 0.538 4.858 4.320 0.000 0.000 0.292 443 A C 0.452 178.161 177.584 0.209 0.000 1.112 443 A CA -0.468 51.642 52.037 0.121 0.000 0.707 443 A CB 1.707 20.909 19.000 0.336 0.000 1.302 443 A HN 0.415 nan 8.150 nan 0.000 0.409 444 V N 0.792 120.825 119.914 0.200 0.000 2.343 444 V HA 0.068 4.188 4.120 0.000 0.000 0.247 444 V C 0.645 176.879 176.094 0.233 0.000 1.051 444 V CA 2.961 65.375 62.300 0.190 0.000 1.036 444 V CB -0.689 31.222 31.823 0.147 0.000 0.654 444 V HN 1.042 nan 8.190 nan 0.000 0.451 445 M N -1.889 117.856 119.600 0.241 0.000 2.773 445 M HA 0.625 5.105 4.480 0.000 0.000 0.270 445 M C -0.022 176.230 176.300 -0.080 0.000 1.238 445 M CA -0.224 55.135 55.300 0.099 0.000 0.832 445 M CB 1.119 33.733 32.600 0.023 0.000 1.672 445 M HN 0.052 nan 8.290 nan 0.000 0.480 446 G N 0.494 109.045 108.800 -0.415 0.000 2.391 446 G HA2 0.381 4.341 3.960 0.000 0.000 0.234 446 G HA3 0.381 4.341 3.960 0.000 0.000 0.234 446 G C 0.781 175.476 174.900 -0.341 0.000 1.284 446 G CA 0.109 44.884 45.100 -0.542 0.000 0.873 446 G HN 1.049 nan 8.290 nan 0.000 0.549 447 A N 1.546 124.200 122.820 -0.277 0.000 1.933 447 A HA -0.105 4.215 4.320 0.000 0.000 0.218 447 A C 2.295 179.663 177.584 -0.360 0.000 1.175 447 A CA 1.857 53.621 52.037 -0.456 0.000 0.628 447 A CB -0.374 18.587 19.000 -0.066 0.000 0.814 447 A HN 0.618 nan 8.150 nan 0.000 0.444 448 Q N -0.344 119.330 119.800 -0.211 0.000 2.050 448 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 448 Q C 2.070 177.978 176.000 -0.153 0.000 0.980 448 Q CA 2.096 57.813 55.803 -0.144 0.000 0.840 448 Q CB -0.673 28.002 28.738 -0.106 0.000 0.898 448 Q HN 0.587 nan 8.270 nan 0.000 0.424 449 G N -0.442 108.250 108.800 -0.179 0.000 2.539 449 G HA2 0.061 4.021 3.960 0.000 0.000 0.215 449 G HA3 0.061 4.021 3.960 0.000 0.000 0.215 449 G C 1.496 176.300 174.900 -0.159 0.000 1.141 449 G CA 0.688 45.703 45.100 -0.142 0.000 0.806 449 G HN 0.454 nan 8.290 nan 0.000 0.533 450 A N 1.179 123.847 122.820 -0.254 0.000 1.865 450 A HA -0.046 4.274 4.320 0.000 0.000 0.217 450 A C 2.702 180.155 177.584 -0.218 0.000 1.191 450 A CA 2.704 54.581 52.037 -0.268 0.000 0.623 450 A CB -1.041 17.658 19.000 -0.502 0.000 0.826 450 A HN 0.843 nan 8.150 nan 0.000 0.444 451 V N -1.407 118.359 119.914 -0.247 0.000 2.469 451 V HA -0.243 3.877 4.120 0.000 0.000 0.251 451 V C 1.483 177.582 176.094 0.008 0.000 1.064 451 V CA 2.138 64.429 62.300 -0.015 0.000 1.066 451 V CB -1.311 30.599 31.823 0.145 0.000 0.667 451 V HN 0.490 nan 8.190 nan 0.000 0.461 452 N N 0.364 119.043 118.700 -0.035 0.000 2.666 452 N HA 0.106 4.846 4.740 0.000 0.000 0.194 452 N C 1.233 176.727 175.510 -0.025 0.000 1.220 452 N CA 1.406 54.446 53.050 -0.017 0.000 0.928 452 N CB -0.004 38.464 38.487 -0.031 0.000 0.997 452 N HN 0.658 nan 8.380 nan 0.000 0.447 453 I N -1.725 118.814 120.570 -0.052 0.000 4.706 453 I HA 0.038 4.208 4.170 0.000 0.000 0.321 453 I C 1.469 177.533 176.117 -0.089 0.000 1.249 453 I CA 0.072 61.340 61.300 -0.054 0.000 1.321 453 I CB 0.316 38.286 38.000 -0.049 0.000 1.342 453 I HN -0.094 nan 8.210 nan 0.000 0.463 454 L N 0.952 122.067 121.223 -0.179 0.000 2.179 454 L HA -0.008 4.332 4.340 0.000 0.000 0.208 454 L C 1.781 178.403 176.870 -0.413 0.000 1.096 454 L CA 1.055 55.693 54.840 -0.336 0.000 0.779 454 L CB -0.191 41.567 42.059 -0.503 0.000 0.922 454 L HN 0.362 nan 8.230 nan 0.000 0.443 455 H N -1.728 117.357 119.070 0.025 0.000 2.674 455 H HA 0.170 4.726 4.556 0.000 0.000 0.274 455 H C 1.506 176.840 175.328 0.011 0.000 1.121 455 H CA -0.225 55.836 56.048 0.021 0.000 1.132 455 H CB 0.251 30.029 29.762 0.026 0.000 1.606 455 H HN 0.125 nan 8.280 nan 0.000 0.558 456 R N 2.088 122.629 120.500 0.067 0.000 2.204 456 R HA -0.207 4.133 4.340 0.000 0.000 0.253 456 R C 1.888 178.215 176.300 0.045 0.000 1.172 456 R CA 1.508 57.634 56.100 0.043 0.000 0.994 456 R CB 0.066 30.374 30.300 0.014 0.000 0.874 456 R HN 0.239 nan 8.270 nan 0.000 0.462 457 R N -0.338 120.194 120.500 0.053 0.000 2.041 457 R HA 0.043 4.383 4.340 0.000 0.000 0.221 457 R C 2.031 178.364 176.300 0.055 0.000 1.196 457 R CA 2.340 58.467 56.100 0.046 0.000 0.969 457 R CB -0.978 29.346 30.300 0.040 0.000 0.858 457 R HN 0.133 nan 8.270 nan 0.000 0.444 458 T N 1.243 115.846 114.554 0.082 0.000 2.918 458 T HA -0.134 4.216 4.350 0.000 0.000 0.271 458 T C 1.501 176.228 174.700 0.044 0.000 1.104 458 T CA 1.376 63.517 62.100 0.068 0.000 1.114 458 T CB -0.241 68.684 68.868 0.095 0.000 0.855 458 T HN 0.198 nan 8.240 nan 0.000 0.518 459 I N 0.844 121.448 120.570 0.057 0.000 2.731 459 I HA 0.288 4.458 4.170 0.000 0.000 0.260 459 I C 2.417 178.548 176.117 0.023 0.000 1.138 459 I CA 0.335 61.656 61.300 0.035 0.000 1.461 459 I CB -0.639 37.390 38.000 0.048 0.000 1.128 459 I HN 0.130 nan 8.210 nan 0.000 0.438 460 A N -0.008 122.828 122.820 0.026 0.000 1.883 460 A HA -0.164 4.156 4.320 0.000 0.000 0.217 460 A C 1.181 178.774 177.584 0.014 0.000 1.186 460 A CA 1.441 53.489 52.037 0.018 0.000 0.624 460 A CB -1.059 17.951 19.000 0.018 0.000 0.822 460 A HN 0.471 nan 8.150 nan 0.000 0.444 461 D N -0.902 119.507 120.400 0.015 0.000 2.390 461 D HA 0.327 4.967 4.640 0.000 0.000 0.236 461 D C 0.728 177.032 176.300 0.007 0.000 1.189 461 D CA 1.209 55.216 54.000 0.011 0.000 0.887 461 D CB 0.196 41.004 40.800 0.013 0.000 1.198 461 D HN 0.859 nan 8.370 nan 0.000 0.444 462 A N 1.225 124.048 122.820 0.005 0.000 2.362 462 A HA -0.143 4.177 4.320 0.000 0.000 0.290 462 A C 1.602 179.187 177.584 0.002 0.000 1.441 462 A CA 0.851 52.889 52.037 0.002 0.000 0.743 462 A CB -1.870 17.130 19.000 0.000 0.000 1.125 462 A HN 0.750 nan 8.150 nan 0.000 0.378 463 G N 0.238 109.040 108.800 0.003 0.000 2.501 463 G HA2 -0.100 3.860 3.960 0.000 0.000 0.220 463 G HA3 -0.100 3.860 3.960 0.000 0.000 0.220 463 G C 0.619 175.520 174.900 0.001 0.000 1.114 463 G CA 0.832 45.934 45.100 0.002 0.000 0.757 463 G HN 1.003 nan 8.290 nan 0.000 0.559 464 D N 1.403 121.803 120.400 0.000 0.000 2.383 464 D HA 0.047 4.687 4.640 0.000 0.000 0.275 464 D C -0.439 175.860 176.300 -0.002 0.000 1.344 464 D CA 0.272 54.271 54.000 -0.001 0.000 0.984 464 D CB -0.305 40.494 40.800 -0.001 0.000 1.104 464 D HN 0.181 nan 8.370 nan 0.000 0.524 465 D N 2.190 122.588 120.400 -0.002 0.000 2.760 465 D HA -0.177 4.463 4.640 0.000 0.000 0.244 465 D C 1.071 177.369 176.300 -0.004 0.000 1.096 465 D CA 0.726 54.724 54.000 -0.003 0.000 0.716 465 D CB -1.069 39.728 40.800 -0.004 0.000 1.075 465 D HN 0.443 nan 8.370 nan 0.000 0.434 466 A N 0.580 123.399 122.820 -0.002 0.000 1.859 466 A HA -0.250 4.070 4.320 0.000 0.000 0.217 466 A C 1.909 179.490 177.584 -0.003 0.000 1.198 466 A CA 1.353 53.389 52.037 -0.002 0.000 0.629 466 A CB -0.077 18.924 19.000 0.001 0.000 0.830 466 A HN 0.315 nan 8.150 nan 0.000 0.446 467 E N -0.161 120.037 120.200 -0.003 0.000 2.516 467 E HA 0.100 4.450 4.350 0.000 0.000 0.199 467 E C 1.475 178.072 176.600 -0.005 0.000 1.069 467 E CA 0.752 57.149 56.400 -0.004 0.000 0.876 467 E CB -0.273 29.425 29.700 -0.003 0.000 0.843 467 E HN 0.597 nan 8.360 nan 0.000 0.530 468 A N 0.092 122.909 122.820 -0.006 0.000 2.308 468 A HA 0.122 4.442 4.320 0.000 0.000 0.217 468 A C 1.863 179.440 177.584 -0.012 0.000 1.216 468 A CA 0.324 52.357 52.037 -0.007 0.000 0.864 468 A CB 0.304 19.301 19.000 -0.006 0.000 0.902 468 A HN 0.070 nan 8.150 nan 0.000 0.499 469 T N -1.385 113.160 114.554 -0.016 0.000 3.085 469 T HA 0.061 4.411 4.350 0.000 0.000 0.241 469 T C 1.955 176.634 174.700 -0.035 0.000 0.988 469 T CA 0.667 62.750 62.100 -0.029 0.000 1.117 469 T CB -0.057 68.794 68.868 -0.028 0.000 0.978 469 T HN 0.483 nan 8.240 nan 0.000 0.454 470 R N 1.300 121.788 120.500 -0.021 0.000 2.193 470 R HA 0.043 4.383 4.340 0.000 0.000 0.229 470 R C 2.136 178.430 176.300 -0.011 0.000 1.110 470 R CA 1.379 57.471 56.100 -0.012 0.000 0.988 470 R CB -0.210 30.088 30.300 -0.002 0.000 0.871 470 R HN 0.341 nan 8.270 nan 0.000 0.458 471 A N 0.458 123.272 122.820 -0.010 0.000 1.943 471 A HA 0.013 4.333 4.320 0.000 0.000 0.213 471 A C 2.091 179.675 177.584 -0.001 0.000 1.181 471 A CA 0.299 52.334 52.037 -0.003 0.000 0.653 471 A CB -0.333 18.666 19.000 -0.002 0.000 0.833 471 A HN 0.186 nan 8.150 nan 0.000 0.451 472 R N -0.327 120.167 120.500 -0.011 0.000 2.075 472 R HA -0.097 4.243 4.340 0.000 0.000 0.232 472 R C 1.752 178.045 176.300 -0.011 0.000 1.126 472 R CA 1.355 57.448 56.100 -0.011 0.000 0.963 472 R CB -0.584 29.703 30.300 -0.022 0.000 0.858 472 R HN 0.401 nan 8.270 nan 0.000 0.435 473 L N 1.066 122.266 121.223 -0.037 0.000 1.948 473 L HA -0.141 4.199 4.340 0.000 0.000 0.212 473 L C 2.523 179.430 176.870 0.062 0.000 1.074 473 L CA 1.567 56.381 54.840 -0.044 0.000 0.753 473 L CB -1.043 40.921 42.059 -0.159 0.000 0.888 473 L HN 0.144 nan 8.230 nan 0.000 0.432 474 I N -0.464 120.136 120.570 0.049 0.000 2.182 474 I HA -0.410 3.760 4.170 0.000 0.000 0.248 474 I C 2.677 178.857 176.117 0.104 0.000 1.073 474 I CA 1.657 62.994 61.300 0.061 0.000 1.335 474 I CB -0.398 37.609 38.000 0.011 0.000 1.031 474 I HN 0.548 nan 8.210 nan 0.000 0.420 475 Q N 1.378 121.221 119.800 0.072 0.000 2.079 475 Q HA -0.221 4.119 4.340 0.000 0.000 0.200 475 Q C 1.847 177.901 176.000 0.090 0.000 0.974 475 Q CA 1.764 57.610 55.803 0.072 0.000 0.840 475 Q CB -0.110 28.653 28.738 0.041 0.000 0.898 475 Q HN 0.607 nan 8.270 nan 0.000 0.430 476 E N -0.739 119.511 120.200 0.084 0.000 2.204 476 E HA -0.173 4.177 4.350 0.000 0.000 0.194 476 E C 1.738 178.405 176.600 0.113 0.000 0.989 476 E CA 0.725 57.170 56.400 0.074 0.000 0.824 476 E CB -0.214 29.512 29.700 0.043 0.000 0.756 476 E HN 0.354 nan 8.360 nan 0.000 0.477 477 Y N 2.802 123.132 120.300 0.050 0.000 2.117 477 Y HA -0.202 4.348 4.550 0.000 0.000 0.277 477 Y C 2.462 178.403 175.900 0.068 0.000 1.104 477 Y CA 2.089 60.233 58.100 0.072 0.000 1.089 477 Y CB -0.190 38.323 38.460 0.089 0.000 0.999 477 Y HN -0.015 nan 8.280 nan 0.000 0.480 478 E N -0.829 119.611 120.200 0.399 0.000 2.233 478 E HA -0.264 4.086 4.350 0.000 0.000 0.199 478 E C 1.073 177.765 176.600 0.153 0.000 1.004 478 E CA 1.747 58.311 56.400 0.273 0.000 0.819 478 E CB -0.472 29.351 29.700 0.204 0.000 0.738 478 E HN 0.478 nan 8.360 nan 0.000 0.478 479 D N 0.186 120.652 120.400 0.111 0.000 2.347 479 D HA 0.129 4.769 4.640 0.000 0.000 0.213 479 D C 1.334 177.657 176.300 0.037 0.000 0.985 479 D CA 1.068 55.109 54.000 0.069 0.000 0.879 479 D CB 0.550 41.382 40.800 0.052 0.000 0.919 479 D HN 0.371 nan 8.370 nan 0.000 0.526 480 A N -0.736 122.087 122.820 0.006 0.000 2.026 480 A HA 0.171 4.491 4.320 0.000 0.000 0.198 480 A C 1.565 179.104 177.584 -0.074 0.000 1.390 480 A CA 0.161 52.174 52.037 -0.041 0.000 0.915 480 A CB 0.235 19.192 19.000 -0.072 0.000 0.974 480 A HN 0.092 nan 8.150 nan 0.000 0.477 481 L N -0.889 120.246 121.223 -0.145 0.000 2.467 481 L HA 0.359 4.699 4.340 0.000 0.000 0.213 481 L C 0.157 177.030 176.870 0.004 0.000 1.053 481 L CA 0.737 55.479 54.840 -0.163 0.000 0.847 481 L CB -0.547 41.209 42.059 -0.504 0.000 1.075 481 L HN 0.200 nan 8.230 nan 0.000 0.479 482 L N 2.824 124.114 121.223 0.111 0.000 2.451 482 L HA 0.189 4.529 4.340 0.000 0.000 0.272 482 L C 0.131 177.063 176.870 0.103 0.000 1.258 482 L CA 0.353 55.297 54.840 0.173 0.000 1.132 482 L CB -1.518 40.704 42.059 0.272 0.000 1.361 482 L HN 0.470 nan 8.230 nan 0.000 0.438 483 N N 1.547 120.273 118.700 0.044 0.000 3.261 483 N HA 0.342 5.082 4.740 0.000 0.000 0.248 483 N C -2.943 172.504 175.510 -0.104 0.000 1.498 483 N CA -1.033 52.027 53.050 0.016 0.000 0.884 483 N CB 1.652 40.235 38.487 0.160 0.000 1.428 483 N HN -0.151 nan 8.380 nan 0.000 0.517 484 P HA 0.076 nan 4.420 nan 0.000 0.234 484 P C 0.897 177.992 177.300 -0.340 0.000 1.175 484 P CA 0.792 63.678 63.100 -0.356 0.000 0.801 484 P CB 0.051 31.487 31.700 -0.441 0.000 0.891 485 Y N 1.681 121.958 120.300 -0.038 0.000 2.298 485 Y HA -0.205 4.345 4.550 0.000 0.000 0.287 485 Y C 2.797 178.655 175.900 -0.070 0.000 1.164 485 Y CA 2.055 60.128 58.100 -0.044 0.000 1.229 485 Y CB -2.139 36.301 38.460 -0.034 0.000 0.977 485 Y HN 0.103 nan 8.280 nan 0.000 0.538 486 T N -2.320 112.251 114.554 0.028 0.000 2.643 486 T HA -0.206 4.144 4.350 0.000 0.000 0.264 486 T C 2.278 176.900 174.700 -0.129 0.000 1.045 486 T CA 1.213 63.285 62.100 -0.048 0.000 1.155 486 T CB -0.982 67.844 68.868 -0.070 0.000 0.863 486 T HN 0.298 nan 8.240 nan 0.000 0.420 487 A N 2.453 125.179 122.820 -0.158 0.000 1.865 487 A HA 0.213 4.533 4.320 0.000 0.000 0.217 487 A C 2.907 180.392 177.584 -0.164 0.000 1.191 487 A CA 2.465 54.370 52.037 -0.221 0.000 0.623 487 A CB -1.618 17.327 19.000 -0.091 0.000 0.826 487 A HN 0.904 nan 8.150 nan 0.000 0.444 488 A N -0.581 122.187 122.820 -0.087 0.000 2.054 488 A HA -0.272 4.048 4.320 0.000 0.000 0.223 488 A C 1.897 179.469 177.584 -0.020 0.000 1.169 488 A CA 2.092 54.108 52.037 -0.034 0.000 0.655 488 A CB -0.544 18.449 19.000 -0.012 0.000 0.812 488 A HN 0.716 nan 8.150 nan 0.000 0.462 489 E N -1.062 119.107 120.200 -0.051 0.000 2.008 489 E HA -0.101 4.249 4.350 0.000 0.000 0.191 489 E C 2.244 178.790 176.600 -0.089 0.000 0.986 489 E CA 0.490 56.859 56.400 -0.052 0.000 0.807 489 E CB -0.160 29.504 29.700 -0.060 0.000 0.766 489 E HN 0.310 nan 8.360 nan 0.000 0.450 490 R N -0.459 119.918 120.500 -0.206 0.000 2.261 490 R HA -0.117 4.223 4.340 0.000 0.000 0.236 490 R C 1.328 177.581 176.300 -0.078 0.000 1.141 490 R CA 1.127 57.070 56.100 -0.261 0.000 1.001 490 R CB -0.280 29.556 30.300 -0.773 0.000 0.866 490 R HN 0.487 nan 8.270 nan 0.000 0.468 491 G N -0.754 108.030 108.800 -0.026 0.000 2.157 491 G HA2 -0.296 3.664 3.960 0.000 0.000 0.239 491 G HA3 -0.296 3.664 3.960 0.000 0.000 0.239 491 G C 0.764 175.803 174.900 0.231 0.000 0.982 491 G CA 0.243 45.399 45.100 0.093 0.000 0.650 491 G HN 0.484 nan 8.290 nan 0.000 0.527 492 Y N 0.015 120.345 120.300 0.051 0.000 2.384 492 Y HA 0.055 4.605 4.550 0.000 0.000 0.289 492 Y C 1.729 177.629 175.900 -0.001 0.000 1.152 492 Y CA 1.091 59.232 58.100 0.069 0.000 1.258 492 Y CB 0.152 38.728 38.460 0.194 0.000 0.979 492 Y HN 0.506 nan 8.280 nan 0.000 0.549 493 V N -3.228 116.774 119.914 0.147 0.000 2.735 493 V HA 0.278 4.398 4.120 0.000 0.000 0.310 493 V C -0.744 175.372 176.094 0.036 0.000 1.061 493 V CA -1.012 61.319 62.300 0.052 0.000 0.913 493 V CB 1.948 33.777 31.823 0.011 0.000 1.005 493 V HN -0.003 nan 8.190 nan 0.000 0.428 494 D N 2.591 123.006 120.400 0.024 0.000 2.347 494 D HA 0.544 5.184 4.640 0.000 0.000 0.213 494 D C 0.647 176.975 176.300 0.046 0.000 0.985 494 D CA 1.369 55.391 54.000 0.037 0.000 0.879 494 D CB 0.484 41.308 40.800 0.039 0.000 0.919 494 D HN 1.198 nan 8.370 nan 0.000 0.526 495 A N -0.412 122.424 122.820 0.027 0.000 2.581 495 A HA 0.442 4.762 4.320 0.000 0.000 0.294 495 A C -1.739 175.834 177.584 -0.018 0.000 1.035 495 A CA -0.824 51.230 52.037 0.028 0.000 0.684 495 A CB 0.878 19.924 19.000 0.077 0.000 1.282 495 A HN -0.071 nan 8.150 nan 0.000 0.417 496 V N 3.125 123.036 119.914 -0.005 0.000 2.277 496 V HA 0.436 4.556 4.120 0.000 0.000 0.269 496 V C 0.342 176.446 176.094 0.017 0.000 1.036 496 V CA -0.052 62.233 62.300 -0.026 0.000 0.821 496 V CB 0.107 31.897 31.823 -0.055 0.000 1.052 496 V HN 0.813 nan 8.190 nan 0.000 0.462 497 I N 1.280 121.853 120.570 0.003 0.000 2.783 497 I HA 0.613 4.783 4.170 0.000 0.000 0.312 497 I C 0.098 176.193 176.117 -0.037 0.000 0.988 497 I CA -0.797 60.486 61.300 -0.027 0.000 1.182 497 I CB 1.212 39.096 38.000 -0.194 0.000 1.368 497 I HN 0.266 nan 8.210 nan 0.000 0.511 498 M N 3.376 122.922 119.600 -0.090 0.000 2.185 498 M HA 0.264 4.744 4.480 0.000 0.000 0.357 498 M C -1.660 174.384 176.300 -0.427 0.000 1.260 498 M CA -1.802 53.376 55.300 -0.204 0.000 1.124 498 M CB 0.611 33.136 32.600 -0.124 0.000 1.600 498 M HN 0.427 nan 8.290 nan 0.000 0.467 499 P HA -0.203 nan 4.420 nan 0.000 0.217 499 P C 1.173 178.096 177.300 -0.630 0.000 1.158 499 P CA 1.946 64.175 63.100 -1.451 0.000 0.887 499 P CB -0.023 30.775 31.700 -1.504 0.000 0.792 500 S N -2.230 113.240 115.700 -0.383 0.000 2.584 500 S HA -0.114 4.356 4.470 0.000 0.000 0.240 500 S C 1.015 175.583 174.600 -0.054 0.000 0.975 500 S CA 1.170 59.264 58.200 -0.177 0.000 0.949 500 S CB -0.864 62.257 63.200 -0.132 0.000 0.761 500 S HN 0.113 nan 8.310 nan 0.000 0.536 501 D N 0.658 121.037 120.400 -0.034 0.000 2.398 501 D HA 0.193 4.833 4.640 0.000 0.000 0.210 501 D C 1.360 177.784 176.300 0.207 0.000 1.094 501 D CA 0.233 54.294 54.000 0.102 0.000 0.839 501 D CB -0.024 40.861 40.800 0.142 0.000 0.963 501 D HN 0.299 nan 8.370 nan 0.000 0.506 502 T N 0.311 114.982 114.554 0.194 0.000 2.684 502 T HA -0.206 4.144 4.350 0.000 0.000 0.267 502 T C 1.921 176.803 174.700 0.303 0.000 1.036 502 T CA 1.160 63.459 62.100 0.332 0.000 1.148 502 T CB 0.166 69.356 68.868 0.536 0.000 0.863 502 T HN 0.177 nan 8.240 nan 0.000 0.436 503 R N 0.791 121.436 120.500 0.242 0.000 2.062 503 R HA 0.004 4.344 4.340 0.000 0.000 0.231 503 R C 2.637 179.038 176.300 0.168 0.000 1.136 503 R CA 1.290 57.511 56.100 0.202 0.000 0.948 503 R CB -0.207 30.193 30.300 0.166 0.000 0.845 503 R HN 0.208 nan 8.270 nan 0.000 0.430 504 R N -0.568 120.021 120.500 0.147 0.000 2.170 504 R HA -0.182 4.158 4.340 0.000 0.000 0.242 504 R C 2.083 178.432 176.300 0.082 0.000 1.145 504 R CA 1.612 57.770 56.100 0.097 0.000 0.984 504 R CB -0.240 30.107 30.300 0.078 0.000 0.869 504 R HN 0.483 nan 8.270 nan 0.000 0.455 505 H N 0.164 119.282 119.070 0.081 0.000 2.260 505 H HA -0.064 4.492 4.556 0.000 0.000 0.304 505 H C 2.288 177.654 175.328 0.063 0.000 1.059 505 H CA 1.941 58.032 56.048 0.072 0.000 1.305 505 H CB -0.194 29.622 29.762 0.090 0.000 1.388 505 H HN 0.134 nan 8.280 nan 0.000 0.496 506 I N 0.389 121.088 120.570 0.215 0.000 2.143 506 I HA -0.324 3.846 4.170 0.000 0.000 0.245 506 I C 2.660 178.829 176.117 0.088 0.000 1.068 506 I CA 1.085 62.463 61.300 0.130 0.000 1.326 506 I CB -0.457 37.629 38.000 0.143 0.000 1.028 506 I HN 0.042 nan 8.210 nan 0.000 0.412 507 V N 1.750 121.717 119.914 0.087 0.000 2.214 507 V HA -0.277 3.843 4.120 0.000 0.000 0.245 507 V C 2.603 178.715 176.094 0.031 0.000 1.047 507 V CA 2.335 64.670 62.300 0.059 0.000 0.998 507 V CB -0.781 31.076 31.823 0.058 0.000 0.633 507 V HN 0.561 nan 8.190 nan 0.000 0.446 508 R N 1.383 121.887 120.500 0.007 0.000 2.377 508 R HA -0.014 4.326 4.340 0.000 0.000 0.207 508 R C 1.469 177.753 176.300 -0.026 0.000 1.075 508 R CA 1.536 57.623 56.100 -0.022 0.000 1.035 508 R CB -1.179 29.087 30.300 -0.058 0.000 0.857 508 R HN 0.521 nan 8.270 nan 0.000 0.475 509 G N -0.055 108.745 108.800 -0.000 0.000 2.743 509 G HA2 0.095 4.055 3.960 0.000 0.000 0.206 509 G HA3 0.095 4.055 3.960 0.000 0.000 0.206 509 G C 1.414 176.323 174.900 0.015 0.000 1.115 509 G CA -0.236 44.869 45.100 0.009 0.000 0.782 509 G HN 0.245 nan 8.290 nan 0.000 0.524 510 L N 0.013 121.249 121.223 0.022 0.000 2.162 510 L HA 0.142 4.482 4.340 0.000 0.000 0.205 510 L C 2.977 179.856 176.870 0.015 0.000 1.086 510 L CA 0.315 55.168 54.840 0.021 0.000 0.778 510 L CB -0.166 41.913 42.059 0.033 0.000 0.928 510 L HN 0.072 nan 8.230 nan 0.000 0.446 511 R N -0.369 120.138 120.500 0.013 0.000 2.139 511 R HA -0.207 4.133 4.340 0.000 0.000 0.243 511 R C 2.214 178.516 176.300 0.003 0.000 1.145 511 R CA 1.307 57.412 56.100 0.008 0.000 0.976 511 R CB -0.177 30.126 30.300 0.005 0.000 0.866 511 R HN 0.495 nan 8.270 nan 0.000 0.449 512 Q N -0.291 119.509 119.800 0.001 0.000 2.134 512 Q HA -0.018 4.322 4.340 0.000 0.000 0.195 512 Q C 2.047 178.046 176.000 -0.001 0.000 0.958 512 Q CA 0.628 56.430 55.803 -0.001 0.000 0.840 512 Q CB -0.002 28.734 28.738 -0.004 0.000 0.918 512 Q HN 0.186 nan 8.270 nan 0.000 0.467 513 L N 1.736 122.959 121.223 0.001 0.000 2.265 513 L HA -0.151 4.189 4.340 0.000 0.000 0.215 513 L C 2.371 179.242 176.870 0.001 0.000 1.117 513 L CA 1.487 56.327 54.840 0.000 0.000 0.782 513 L CB -0.753 41.307 42.059 0.001 0.000 0.914 513 L HN 0.268 nan 8.230 nan 0.000 0.441 514 R N -0.637 119.865 120.500 0.004 0.000 2.249 514 R HA -0.118 4.222 4.340 0.000 0.000 0.230 514 R C 1.115 177.415 176.300 -0.000 0.000 1.121 514 R CA 1.601 57.703 56.100 0.004 0.000 0.997 514 R CB -1.150 29.154 30.300 0.006 0.000 0.867 514 R HN 0.465 nan 8.270 nan 0.000 0.465 515 T N -1.805 112.747 114.554 -0.002 0.000 3.223 515 T HA 0.143 4.493 4.350 0.000 0.000 0.259 515 T C 0.252 174.948 174.700 -0.007 0.000 1.015 515 T CA -0.686 61.411 62.100 -0.005 0.000 0.908 515 T CB 0.162 69.027 68.868 -0.005 0.000 1.054 515 T HN 0.220 nan 8.240 nan 0.000 0.567 516 K N 2.131 122.527 120.400 -0.006 0.000 2.402 516 K HA 0.121 4.441 4.320 0.000 0.000 0.285 516 K C -0.514 176.079 176.600 -0.012 0.000 1.054 516 K CA -0.222 56.060 56.287 -0.009 0.000 1.001 516 K CB 0.325 32.820 32.500 -0.009 0.000 0.946 516 K HN 0.289 nan 8.250 nan 0.000 0.473 517 R N 3.808 124.300 120.500 -0.013 0.000 2.239 517 R HA 0.173 4.513 4.340 0.000 0.000 0.332 517 R C -0.974 175.315 176.300 -0.018 0.000 0.988 517 R CA -0.441 55.650 56.100 -0.015 0.000 0.859 517 R CB 1.311 31.602 30.300 -0.015 0.000 1.148 517 R HN 0.665 nan 8.270 nan 0.000 0.482 518 E N 1.927 122.114 120.200 -0.021 0.000 2.343 518 E HA 0.412 4.762 4.350 0.000 0.000 0.278 518 E C -1.437 175.146 176.600 -0.029 0.000 0.910 518 E CA -0.637 55.748 56.400 -0.025 0.000 0.757 518 E CB 1.617 31.301 29.700 -0.027 0.000 1.218 518 E HN 0.564 nan 8.360 nan 0.000 0.435 519 S N 2.665 118.346 115.700 -0.031 0.000 2.627 519 S HA 0.712 5.182 4.470 0.000 0.000 0.283 519 S C -0.928 173.647 174.600 -0.040 0.000 1.127 519 S CA -0.890 57.290 58.200 -0.035 0.000 0.863 519 S CB 1.062 64.244 63.200 -0.031 0.000 1.121 519 S HN 0.344 nan 8.310 nan 0.000 0.479 520 L N 0.723 121.920 121.223 -0.044 0.000 2.376 520 L HA 0.668 5.008 4.340 0.000 0.000 0.267 520 L C -2.328 174.514 176.870 -0.046 0.000 1.035 520 L CA -2.031 52.778 54.840 -0.052 0.000 0.800 520 L CB -0.414 41.608 42.059 -0.062 0.000 1.290 520 L HN 0.509 nan 8.230 nan 0.000 0.462 521 P HA 0.151 nan 4.420 nan 0.000 0.268 521 P C -2.473 174.801 177.300 -0.042 0.000 1.205 521 P CA -0.774 62.300 63.100 -0.043 0.000 0.771 521 P CB -0.332 31.341 31.700 -0.045 0.000 0.858 522 P HA 0.050 nan 4.420 nan 0.000 0.265 522 P C -0.711 176.561 177.300 -0.047 0.000 1.187 522 P CA 0.367 63.444 63.100 -0.038 0.000 0.766 522 P CB 0.511 32.191 31.700 -0.033 0.000 0.820 523 K N 0.069 120.437 120.400 -0.052 0.000 2.639 523 K HA 0.241 4.561 4.320 0.000 0.000 0.279 523 K C 0.169 176.719 176.600 -0.083 0.000 0.976 523 K CA -1.040 55.199 56.287 -0.080 0.000 0.861 523 K CB 0.930 33.371 32.500 -0.097 0.000 1.436 523 K HN -0.048 nan 8.250 nan 0.000 0.400 524 K N 0.139 120.465 120.400 -0.124 0.000 2.032 524 K HA -0.164 4.156 4.320 0.000 0.000 0.209 524 K C 0.098 176.697 176.600 -0.002 0.000 1.048 524 K CA 2.429 58.682 56.287 -0.056 0.000 0.927 524 K CB -0.341 32.138 32.500 -0.035 0.000 0.712 524 K HN 0.833 nan 8.250 nan 0.000 0.441 525 H N -4.909 114.160 119.070 -0.001 0.000 2.935 525 H HA 0.398 4.954 4.556 0.000 0.000 0.297 525 H C -0.238 175.115 175.328 0.041 0.000 1.423 525 H CA -0.710 55.344 56.048 0.011 0.000 1.161 525 H CB 0.374 30.137 29.762 0.001 0.000 1.841 525 H HN 0.039 nan 8.280 nan 0.000 0.506 526 G N -0.993 107.889 108.800 0.136 0.000 2.535 526 G HA2 0.210 4.170 3.960 0.000 0.000 0.282 526 G HA3 0.210 4.170 3.960 0.000 0.000 0.282 526 G C -0.502 174.545 174.900 0.244 0.000 1.350 526 G CA -0.546 44.664 45.100 0.183 0.000 1.039 526 G HN 0.901 nan 8.290 nan 0.000 0.509 527 N N -0.772 118.086 118.700 0.263 0.000 2.599 527 N HA 0.157 4.897 4.740 0.000 0.000 0.309 527 N C 0.096 175.559 175.510 -0.078 0.000 1.743 527 N CA -0.464 52.659 53.050 0.123 0.000 0.918 527 N CB 0.265 38.812 38.487 0.099 0.000 1.339 527 N HN 0.401 nan 8.380 nan 0.000 0.493 528 I N 1.617 121.909 120.570 -0.463 0.000 2.880 528 I HA 0.010 4.180 4.170 0.000 0.000 0.296 528 I C -1.917 173.913 176.117 -0.478 0.000 1.220 528 I CA -1.071 59.548 61.300 -1.134 0.000 1.435 528 I CB 0.759 37.993 38.000 -1.276 0.000 1.339 528 I HN 0.222 nan 8.210 nan 0.000 0.583 529 P HA 0.089 nan 4.420 nan 0.000 0.267 529 P C -0.985 176.222 177.300 -0.156 0.000 1.200 529 P CA -0.035 62.961 63.100 -0.173 0.000 0.772 529 P CB 0.566 32.200 31.700 -0.109 0.000 0.855 530 L N 0.000 121.163 121.223 -0.100 0.000 2.949 530 L HA 0.000 4.340 4.340 0.000 0.000 0.249 530 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 530 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502