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 2wya_1_C DATA FIRST_RESID 49 DATA SEQUENCE SMPKDVGILA LEVYFPAQYV DQTDLEKYNN VEAGKYTVGL GQTRMGFCSV DATA SEQUENCE QEDINSLCLT VVQRLMERIQ LPWDSVGRLE VGTETIIDKS KAVKTVLMEL DATA SEQUENCE FQDSGNTDIE GIDTTNACYG GTASLFNAAN WMESSSWDGR YAMVVCGDIA DATA SEQUENCE VYPSGNARPT GGAGAVAMLI GPKAPLALER GLRGTHMENV YDFYKPNLAS DATA SEQUENCE EYPIVDGKLS IQCYLRALDR CYTSYRKKIQ NQWKQAGSDR PFTLDDLQYM DATA SEQUENCE IFHTPFCKMV QKSLARLMFN DFLSASSDTQ TSLYKGLEAF GGLKLEDTYT DATA SEQUENCE NKDLDKALLK ASQDMFDKKT KASLYLSTHN GNMYTSSLYG CLASLLSHHS DATA SEQUENCE AQELAGSRIG AFSYGSGLAA SFFSFRVSQD AAPGSPLDKL VSSTSDLPKR DATA SEQUENCE LASRKCVSPE EFTEIMNQRE QFYHKVNFSP PGDTNSLFPG TWYLERVDEQ DATA SEQUENCE HRRKYARRPV 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.618 174.600 0.029 0.000 1.055 49 S CA 0.000 58.213 58.200 0.021 0.000 1.107 49 S CB 0.000 63.217 63.200 0.029 0.000 0.593 50 M N 6.418 126.018 119.600 0.000 0.000 2.238 50 M HA 0.325 4.805 4.480 -0.000 0.000 0.350 50 M C -1.864 174.408 176.300 -0.046 0.000 1.321 50 M CA -0.798 54.482 55.300 -0.033 0.000 1.097 50 M CB 0.445 33.011 32.600 -0.057 0.000 1.713 50 M HN 0.376 nan 8.290 nan 0.000 0.455 51 P HA 0.198 nan 4.420 nan 0.000 0.269 51 P C -1.121 176.111 177.300 -0.113 0.000 1.209 51 P CA 0.034 63.056 63.100 -0.129 0.000 0.776 51 P CB 0.186 31.624 31.700 -0.437 0.000 0.876 52 K N 0.778 121.148 120.400 -0.050 0.000 2.118 52 K HA 0.273 4.593 4.320 -0.000 0.000 0.267 52 K C 0.420 177.010 176.600 -0.017 0.000 0.991 52 K CA -0.349 55.924 56.287 -0.024 0.000 0.916 52 K CB -0.445 32.059 32.500 0.006 0.000 1.041 52 K HN 0.581 nan 8.250 nan 0.000 0.455 53 D N -0.095 120.306 120.400 0.002 0.000 2.708 53 D HA -0.127 4.513 4.640 -0.000 0.000 0.236 53 D C -0.184 176.134 176.300 0.031 0.000 1.146 53 D CA 0.897 54.917 54.000 0.033 0.000 0.662 53 D CB -1.879 38.952 40.800 0.051 0.000 1.059 53 D HN 0.417 nan 8.370 nan 0.000 0.428 54 V N -0.382 119.525 119.914 -0.011 0.000 2.617 54 V HA 0.469 4.588 4.120 -0.000 0.000 0.304 54 V C 1.555 177.692 176.094 0.072 0.000 1.040 54 V CA 1.421 63.710 62.300 -0.018 0.000 1.149 54 V CB 1.179 32.944 31.823 -0.096 0.000 0.914 54 V HN 0.553 nan 8.190 nan 0.000 0.487 55 G N 4.428 113.291 108.800 0.105 0.000 2.356 55 G HA2 0.330 4.290 3.960 -0.000 0.000 0.281 55 G HA3 0.330 4.290 3.960 -0.000 0.000 0.281 55 G C -1.254 173.737 174.900 0.152 0.000 1.246 55 G CA -1.016 44.196 45.100 0.188 0.000 0.889 55 G HN 0.533 nan 8.290 nan 0.000 0.486 56 I N 1.844 122.501 120.570 0.146 0.000 2.352 56 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 56 I C 1.009 177.139 176.117 0.022 0.000 1.036 56 I CA -0.202 61.133 61.300 0.059 0.000 1.336 56 I CB 1.214 39.210 38.000 -0.006 0.000 1.407 56 I HN 0.345 nan 8.210 nan 0.000 0.497 57 L N 6.179 127.406 121.223 0.007 0.000 2.357 57 L HA 0.398 4.738 4.340 -0.000 0.000 0.211 57 L C 0.783 177.625 176.870 -0.047 0.000 1.075 57 L CA 0.270 55.102 54.840 -0.014 0.000 0.830 57 L CB 0.084 42.124 42.059 -0.031 0.000 0.996 57 L HN 0.718 nan 8.230 nan 0.000 0.467 58 A N 0.053 122.836 122.820 -0.061 0.000 2.574 58 A HA 0.707 5.027 4.320 -0.000 0.000 0.297 58 A C -1.754 175.800 177.584 -0.051 0.000 1.062 58 A CA -0.318 51.681 52.037 -0.065 0.000 0.686 58 A CB 1.850 20.794 19.000 -0.094 0.000 1.285 58 A HN -0.004 nan 8.150 nan 0.000 0.403 59 L N 0.682 121.883 121.223 -0.038 0.000 2.464 59 L HA 0.835 5.175 4.340 -0.000 0.000 0.266 59 L C -1.173 175.693 176.870 -0.007 0.000 0.965 59 L CA -0.349 54.480 54.840 -0.018 0.000 0.833 59 L CB 2.095 44.150 42.059 -0.007 0.000 1.296 59 L HN 0.852 nan 8.230 nan 0.000 0.405 60 E N 2.895 123.098 120.200 0.005 0.000 2.248 60 E HA 0.669 5.019 4.350 -0.000 0.000 0.267 60 E C -1.809 174.818 176.600 0.045 0.000 0.877 60 E CA -0.474 55.933 56.400 0.011 0.000 0.759 60 E CB 2.365 32.065 29.700 -0.001 0.000 1.182 60 E HN 0.360 nan 8.360 nan 0.000 0.418 61 V N 4.094 124.038 119.914 0.050 0.000 2.680 61 V HA 0.500 4.620 4.120 -0.000 0.000 0.309 61 V C -1.164 174.945 176.094 0.025 0.000 1.052 61 V CA -0.920 61.434 62.300 0.091 0.000 0.908 61 V CB 1.459 33.375 31.823 0.155 0.000 1.001 61 V HN 0.715 nan 8.190 nan 0.000 0.431 62 Y N 5.545 125.808 120.300 -0.063 0.000 2.425 62 Y HA 0.819 5.369 4.550 -0.000 0.000 0.344 62 Y C -1.203 174.661 175.900 -0.060 0.000 0.969 62 Y CA -1.656 56.327 58.100 -0.194 0.000 1.052 62 Y CB 1.862 40.282 38.460 -0.066 0.000 1.215 62 Y HN 0.611 nan 8.280 nan 0.000 0.451 63 F N 5.022 124.427 119.950 -0.908 0.000 2.613 63 F HA 0.847 5.374 4.527 -0.000 0.000 0.310 63 F C -3.074 172.277 175.800 -0.748 0.000 1.085 63 F CA -3.133 54.484 58.000 -0.637 0.000 0.945 63 F CB 0.802 39.681 39.000 -0.201 0.000 1.298 63 F HN 0.234 nan 8.300 nan 0.000 0.455 64 P HA 0.199 nan 4.420 nan 0.000 0.273 64 P C -0.141 177.180 177.300 0.034 0.000 1.250 64 P CA -0.140 62.930 63.100 -0.049 0.000 0.793 64 P CB 1.086 32.762 31.700 -0.039 0.000 1.011 65 A N 0.349 123.006 122.820 -0.271 0.000 2.302 65 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 65 A C 0.835 178.223 177.584 -0.326 0.000 1.243 65 A CA 0.321 51.978 52.037 -0.633 0.000 0.856 65 A CB -0.547 17.731 19.000 -1.203 0.000 0.893 65 A HN 0.606 nan 8.150 nan 0.000 0.491 66 Q N -0.493 119.140 119.800 -0.279 0.000 2.416 66 Q HA 0.597 4.937 4.340 -0.000 0.000 0.281 66 Q C -1.472 174.360 176.000 -0.281 0.000 1.067 66 Q CA -0.831 54.763 55.803 -0.348 0.000 0.809 66 Q CB 1.197 29.634 28.738 -0.502 0.000 1.418 66 Q HN 0.471 nan 8.270 nan 0.000 0.411 67 Y N -2.050 118.195 120.300 -0.092 0.000 2.615 67 Y HA 0.797 5.347 4.550 -0.000 0.000 0.341 67 Y C -1.527 174.505 175.900 0.221 0.000 1.089 67 Y CA -1.386 56.760 58.100 0.075 0.000 1.049 67 Y CB 1.411 39.874 38.460 0.005 0.000 1.296 67 Y HN 0.478 nan 8.280 nan 0.000 0.470 68 V N 2.133 122.224 119.914 0.295 0.000 2.483 68 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 68 V C -0.871 175.302 176.094 0.131 0.000 1.035 68 V CA -0.538 61.764 62.300 0.002 0.000 0.896 68 V CB 1.410 32.891 31.823 -0.570 0.000 0.986 68 V HN 0.880 nan 8.190 nan 0.000 0.447 69 D N 4.512 124.998 120.400 0.144 0.000 2.351 69 D HA 0.197 4.837 4.640 -0.000 0.000 0.251 69 D C 0.840 177.169 176.300 0.048 0.000 1.137 69 D CA -0.079 54.005 54.000 0.141 0.000 0.879 69 D CB 1.859 42.753 40.800 0.156 0.000 1.181 69 D HN 0.585 nan 8.370 nan 0.000 0.448 70 Q N 1.316 121.136 119.800 0.034 0.000 2.119 70 Q HA -0.091 4.249 4.340 -0.000 0.000 0.201 70 Q C 1.740 177.815 176.000 0.124 0.000 0.972 70 Q CA 1.179 57.031 55.803 0.081 0.000 0.847 70 Q CB -0.190 28.584 28.738 0.060 0.000 0.903 70 Q HN 0.504 nan 8.270 nan 0.000 0.433 71 T N 1.771 116.363 114.554 0.063 0.000 2.746 71 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 71 T C 1.227 175.959 174.700 0.052 0.000 1.039 71 T CA 1.457 63.580 62.100 0.039 0.000 1.142 71 T CB -0.189 68.692 68.868 0.022 0.000 0.866 71 T HN 0.209 nan 8.240 nan 0.000 0.444 72 D N 0.849 121.287 120.400 0.064 0.000 2.117 72 D HA -0.032 4.608 4.640 -0.000 0.000 0.197 72 D C 1.999 178.370 176.300 0.117 0.000 0.987 72 D CA 0.555 54.598 54.000 0.073 0.000 0.829 72 D CB -0.438 40.392 40.800 0.051 0.000 0.961 72 D HN 0.164 nan 8.370 nan 0.000 0.460 73 L N 1.343 122.644 121.223 0.130 0.000 2.083 73 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 73 L C 1.944 179.003 176.870 0.316 0.000 1.083 73 L CA 1.619 56.593 54.840 0.223 0.000 0.752 73 L CB -0.407 41.752 42.059 0.167 0.000 0.899 73 L HN -0.017 nan 8.230 nan 0.000 0.433 74 E N -0.579 119.729 120.200 0.181 0.000 2.058 74 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 74 E C 2.118 178.702 176.600 -0.027 0.000 0.997 74 E CA 1.731 58.064 56.400 -0.112 0.000 0.801 74 E CB -0.109 29.441 29.700 -0.249 0.000 0.746 74 E HN 0.503 nan 8.360 nan 0.000 0.450 75 K N -0.108 120.312 120.400 0.034 0.000 2.057 75 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 75 K C 2.140 178.790 176.600 0.083 0.000 1.050 75 K CA 1.174 57.483 56.287 0.038 0.000 0.935 75 K CB -0.273 32.256 32.500 0.049 0.000 0.715 75 K HN 0.151 nan 8.250 nan 0.000 0.439 76 Y N 2.370 122.688 120.300 0.031 0.000 2.181 76 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 76 Y C 1.417 177.346 175.900 0.048 0.000 1.146 76 Y CA 1.481 59.609 58.100 0.046 0.000 1.164 76 Y CB -0.065 38.440 38.460 0.073 0.000 0.982 76 Y HN 0.050 nan 8.280 nan 0.000 0.515 77 N N 0.928 119.684 118.700 0.093 0.000 2.461 77 N HA -0.036 4.703 4.740 -0.000 0.000 0.188 77 N C 0.576 176.055 175.510 -0.051 0.000 1.134 77 N CA 1.022 54.083 53.050 0.018 0.000 0.878 77 N CB -1.079 37.527 38.487 0.198 0.000 0.972 77 N HN 0.514 nan 8.380 nan 0.000 0.456 78 N N -0.576 118.083 118.700 -0.069 0.000 2.740 78 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 78 N C 0.192 175.651 175.510 -0.084 0.000 1.062 78 N CA 1.022 54.026 53.050 -0.077 0.000 0.704 78 N CB -2.374 36.062 38.487 -0.085 0.000 0.968 78 N HN 0.218 nan 8.380 nan 0.000 0.547 79 V N -4.721 115.122 119.914 -0.119 0.000 3.096 79 V HA 0.848 4.968 4.120 -0.000 0.000 0.319 79 V C 0.646 176.632 176.094 -0.180 0.000 1.082 79 V CA -0.726 61.474 62.300 -0.167 0.000 1.022 79 V CB 1.838 33.495 31.823 -0.276 0.000 1.103 79 V HN 0.539 nan 8.190 nan 0.000 0.455 80 E N 0.768 120.868 120.200 -0.168 0.000 2.413 80 E HA 0.431 4.780 4.350 -0.000 0.000 0.263 80 E C 0.648 177.144 176.600 -0.173 0.000 1.015 80 E CA 0.163 56.479 56.400 -0.141 0.000 0.916 80 E CB 0.814 30.446 29.700 -0.114 0.000 0.947 80 E HN 1.496 nan 8.360 nan 0.000 0.440 81 A N 1.706 124.451 122.820 -0.125 0.000 2.546 81 A HA 0.437 4.757 4.320 -0.000 0.000 0.243 81 A C 1.666 179.180 177.584 -0.117 0.000 1.063 81 A CA 0.598 52.566 52.037 -0.115 0.000 0.757 81 A CB -0.651 18.306 19.000 -0.072 0.000 0.991 81 A HN 1.559 nan 8.150 nan 0.000 0.503 82 G N 1.691 110.417 108.800 -0.124 0.000 2.217 82 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.246 82 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.246 82 G C 1.163 175.997 174.900 -0.111 0.000 0.990 82 G CA 0.916 45.959 45.100 -0.094 0.000 0.627 82 G HN 0.986 nan 8.290 nan 0.000 0.522 83 K N -0.608 119.672 120.400 -0.200 0.000 2.063 83 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 83 K C 2.020 178.595 176.600 -0.041 0.000 1.048 83 K CA 2.081 58.254 56.287 -0.190 0.000 0.928 83 K CB -0.222 32.080 32.500 -0.331 0.000 0.713 83 K HN 0.481 nan 8.250 nan 0.000 0.442 84 Y N 0.028 120.282 120.300 -0.077 0.000 2.343 84 Y HA -0.020 4.530 4.550 -0.000 0.000 0.294 84 Y C 2.719 178.571 175.900 -0.080 0.000 1.122 84 Y CA 1.207 59.253 58.100 -0.091 0.000 1.173 84 Y CB -1.043 37.368 38.460 -0.081 0.000 1.077 84 Y HN 0.232 nan 8.280 nan 0.000 0.542 85 T N -2.842 111.756 114.554 0.074 0.000 2.904 85 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 85 T C 1.701 176.397 174.700 -0.006 0.000 1.059 85 T CA 1.466 63.574 62.100 0.013 0.000 1.137 85 T CB -0.785 68.078 68.868 -0.009 0.000 0.879 85 T HN 0.084 nan 8.240 nan 0.000 0.467 86 V N 0.799 120.707 119.914 -0.010 0.000 2.806 86 V HA 0.347 4.467 4.120 -0.000 0.000 0.239 86 V C 3.002 179.088 176.094 -0.014 0.000 1.113 86 V CA 0.816 63.104 62.300 -0.019 0.000 1.137 86 V CB -0.893 30.911 31.823 -0.031 0.000 0.865 86 V HN 0.546 nan 8.190 nan 0.000 0.482 87 G N 0.364 109.155 108.800 -0.015 0.000 2.421 87 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 87 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 87 G C 1.478 176.377 174.900 -0.001 0.000 1.171 87 G CA 1.004 46.093 45.100 -0.018 0.000 0.775 87 G HN 0.443 nan 8.290 nan 0.000 0.543 88 L N -0.154 121.072 121.223 0.004 0.000 2.416 88 L HA 0.294 4.634 4.340 -0.000 0.000 0.216 88 L C 2.002 178.951 176.870 0.131 0.000 1.098 88 L CA 0.462 55.311 54.840 0.015 0.000 0.840 88 L CB 0.047 42.020 42.059 -0.143 0.000 0.981 88 L HN 0.396 nan 8.230 nan 0.000 0.462 89 G N 0.239 109.070 108.800 0.051 0.000 2.147 89 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 89 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 89 G C 0.034 174.922 174.900 -0.019 0.000 1.005 89 G CA -0.182 44.930 45.100 0.020 0.000 0.713 89 G HN 0.267 nan 8.290 nan 0.000 0.515 90 Q N -0.593 119.192 119.800 -0.025 0.000 2.274 90 Q HA 0.669 5.009 4.340 -0.000 0.000 0.260 90 Q C 0.977 176.903 176.000 -0.123 0.000 0.974 90 Q CA 0.079 55.832 55.803 -0.083 0.000 0.876 90 Q CB 1.721 30.421 28.738 -0.064 0.000 1.297 90 Q HN 0.227 nan 8.270 nan 0.000 0.446 91 T N 0.994 115.406 114.554 -0.237 0.000 3.087 91 T HA 0.261 4.611 4.350 -0.000 0.000 0.237 91 T C 0.181 174.759 174.700 -0.203 0.000 0.990 91 T CA 0.352 62.296 62.100 -0.261 0.000 1.160 91 T CB 0.611 69.180 68.868 -0.498 0.000 0.923 91 T HN 0.295 nan 8.240 nan 0.000 0.442 92 R N 0.028 120.375 120.500 -0.254 0.000 2.698 92 R HA 0.643 4.983 4.340 -0.000 0.000 0.275 92 R C -1.478 174.749 176.300 -0.121 0.000 1.001 92 R CA -0.529 55.464 56.100 -0.178 0.000 0.896 92 R CB 2.424 32.475 30.300 -0.414 0.000 1.218 92 R HN 0.145 nan 8.270 nan 0.000 0.462 93 M N 1.377 120.965 119.600 -0.020 0.000 2.190 93 M HA 0.450 4.930 4.480 -0.000 0.000 0.312 93 M C -0.423 175.971 176.300 0.156 0.000 0.990 93 M CA -0.400 54.904 55.300 0.008 0.000 0.927 93 M CB 1.808 34.368 32.600 -0.067 0.000 1.571 93 M HN 0.798 nan 8.290 nan 0.000 0.427 94 G N 4.047 112.927 108.800 0.133 0.000 2.503 94 G HA2 0.561 4.521 3.960 -0.000 0.000 0.257 94 G HA3 0.561 4.521 3.960 -0.000 0.000 0.257 94 G C -1.145 173.926 174.900 0.285 0.000 1.214 94 G CA -0.424 44.773 45.100 0.161 0.000 0.839 94 G HN 0.809 nan 8.290 nan 0.000 0.559 95 F N -1.149 118.882 119.950 0.136 0.000 2.686 95 F HA 0.657 5.183 4.527 -0.000 0.000 0.311 95 F C -0.901 174.990 175.800 0.152 0.000 1.128 95 F CA -1.788 56.319 58.000 0.178 0.000 0.946 95 F CB 0.702 39.892 39.000 0.315 0.000 1.336 95 F HN 0.519 nan 8.300 nan 0.000 0.457 96 C N 1.886 121.352 119.300 0.277 0.000 2.456 96 C HA 0.788 5.248 4.460 -0.000 0.000 0.325 96 C C 0.486 175.622 174.990 0.244 0.000 1.217 96 C CA -0.307 58.807 59.018 0.160 0.000 1.687 96 C CB 1.277 29.114 27.740 0.162 0.000 2.270 96 C HN 1.040 nan 8.230 nan 0.000 0.499 97 S N 1.306 117.102 115.700 0.160 0.000 2.641 97 S HA 0.251 4.721 4.470 -0.000 0.000 0.261 97 S C 1.191 175.847 174.600 0.092 0.000 1.257 97 S CA 0.052 58.334 58.200 0.137 0.000 0.983 97 S CB 0.394 63.641 63.200 0.078 0.000 0.990 97 S HN 1.271 nan 8.310 nan 0.000 0.572 98 V N -1.417 118.523 119.914 0.045 0.000 3.026 98 V HA -0.094 4.026 4.120 -0.000 0.000 0.265 98 V C 2.204 178.328 176.094 0.050 0.000 1.121 98 V CA 1.705 64.027 62.300 0.037 0.000 1.142 98 V CB -1.627 30.177 31.823 -0.031 0.000 0.730 98 V HN 0.886 nan 8.190 nan 0.000 0.503 99 Q N 0.525 120.350 119.800 0.042 0.000 2.364 99 Q HA 0.011 4.351 4.340 -0.000 0.000 0.207 99 Q C 0.396 176.494 176.000 0.163 0.000 0.970 99 Q CA 0.846 56.697 55.803 0.079 0.000 0.888 99 Q CB 0.192 28.947 28.738 0.029 0.000 0.951 99 Q HN 0.823 nan 8.270 nan 0.000 0.469 100 E N 0.826 121.116 120.200 0.150 0.000 2.238 100 E HA 0.185 4.535 4.350 -0.000 0.000 0.267 100 E C -1.235 175.462 176.600 0.162 0.000 0.887 100 E CA -0.545 55.967 56.400 0.186 0.000 0.769 100 E CB 1.565 31.378 29.700 0.189 0.000 1.187 100 E HN 0.143 nan 8.360 nan 0.000 0.416 101 D N 0.968 121.471 120.400 0.172 0.000 2.732 101 D HA 0.110 4.750 4.640 -0.000 0.000 0.292 101 D C 0.510 176.863 176.300 0.088 0.000 1.135 101 D CA -0.760 53.318 54.000 0.129 0.000 1.071 101 D CB 0.359 41.249 40.800 0.151 0.000 1.457 101 D HN 0.363 nan 8.370 nan 0.000 0.547 102 I N 0.492 121.099 120.570 0.062 0.000 2.264 102 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 102 I C 1.246 177.338 176.117 -0.042 0.000 1.111 102 I CA 1.586 62.907 61.300 0.035 0.000 1.382 102 I CB -0.680 37.345 38.000 0.042 0.000 1.060 102 I HN 0.317 nan 8.210 nan 0.000 0.418 103 N N 0.401 119.042 118.700 -0.098 0.000 2.084 103 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 103 N C 2.126 177.377 175.510 -0.431 0.000 1.030 103 N CA 1.869 54.734 53.050 -0.308 0.000 0.849 103 N CB -0.702 37.496 38.487 -0.482 0.000 1.012 103 N HN 0.588 nan 8.380 nan 0.000 0.423 104 S N 0.566 116.065 115.700 -0.334 0.000 2.383 104 S HA -0.029 4.441 4.470 -0.000 0.000 0.227 104 S C 2.050 176.573 174.600 -0.128 0.000 1.026 104 S CA 0.502 58.581 58.200 -0.203 0.000 0.981 104 S CB -0.463 62.805 63.200 0.114 0.000 0.818 104 S HN 0.036 nan 8.310 nan 0.000 0.472 105 L N 1.560 122.744 121.223 -0.064 0.000 2.012 105 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 105 L C 2.906 179.716 176.870 -0.100 0.000 1.073 105 L CA 1.291 56.105 54.840 -0.045 0.000 0.748 105 L CB -1.186 40.943 42.059 0.116 0.000 0.891 105 L HN 0.469 nan 8.230 nan 0.000 0.431 106 C N -1.355 117.879 119.300 -0.110 0.000 2.466 106 C HA -0.077 4.383 4.460 -0.000 0.000 0.278 106 C C 2.744 177.624 174.990 -0.184 0.000 1.288 106 C CA 0.060 59.010 59.018 -0.114 0.000 1.722 106 C CB -0.837 26.837 27.740 -0.110 0.000 2.017 106 C HN 0.456 nan 8.230 nan 0.000 0.488 107 L N 0.590 121.620 121.223 -0.322 0.000 2.042 107 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 107 L C 2.706 179.428 176.870 -0.247 0.000 1.076 107 L CA 1.829 56.369 54.840 -0.501 0.000 0.749 107 L CB -1.029 40.388 42.059 -1.070 0.000 0.893 107 L HN 0.381 nan 8.230 nan 0.000 0.432 108 T N -1.116 113.370 114.554 -0.114 0.000 2.674 108 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 108 T C 1.866 176.525 174.700 -0.067 0.000 1.039 108 T CA 1.533 63.622 62.100 -0.018 0.000 1.150 108 T CB -0.273 68.351 68.868 -0.406 0.000 0.864 108 T HN 0.137 nan 8.240 nan 0.000 0.427 109 V N 1.142 121.000 119.914 -0.093 0.000 2.453 109 V HA -0.100 4.020 4.120 -0.000 0.000 0.247 109 V C 2.440 178.529 176.094 -0.009 0.000 1.048 109 V CA 1.302 63.596 62.300 -0.011 0.000 1.049 109 V CB -0.344 31.510 31.823 0.051 0.000 0.672 109 V HN 0.324 nan 8.190 nan 0.000 0.457 110 V N -0.232 119.667 119.914 -0.025 0.000 2.307 110 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 110 V C 2.365 178.455 176.094 -0.006 0.000 1.045 110 V CA 2.513 64.809 62.300 -0.007 0.000 1.024 110 V CB -0.657 31.167 31.823 0.002 0.000 0.651 110 V HN 0.647 nan 8.190 nan 0.000 0.449 111 Q N -0.084 119.721 119.800 0.008 0.000 2.119 111 Q HA -0.218 4.122 4.340 -0.000 0.000 0.201 111 Q C 2.451 178.463 176.000 0.021 0.000 0.972 111 Q CA 1.592 57.420 55.803 0.042 0.000 0.847 111 Q CB -0.101 28.753 28.738 0.192 0.000 0.903 111 Q HN 0.547 nan 8.270 nan 0.000 0.433 112 R N -0.013 120.499 120.500 0.020 0.000 2.081 112 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 112 R C 2.270 178.555 176.300 -0.026 0.000 1.131 112 R CA 1.380 57.477 56.100 -0.005 0.000 0.960 112 R CB -0.350 29.946 30.300 -0.005 0.000 0.856 112 R HN 0.349 nan 8.270 nan 0.000 0.436 113 L N 0.998 122.205 121.223 -0.026 0.000 1.989 113 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 113 L C 2.180 179.013 176.870 -0.062 0.000 1.071 113 L CA 1.906 56.722 54.840 -0.040 0.000 0.749 113 L CB -0.432 41.608 42.059 -0.032 0.000 0.890 113 L HN 0.268 nan 8.230 nan 0.000 0.431 114 M N -1.020 118.539 119.600 -0.069 0.000 2.159 114 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 114 M C 2.129 178.349 176.300 -0.134 0.000 1.063 114 M CA 1.846 57.076 55.300 -0.117 0.000 1.110 114 M CB -0.441 32.065 32.600 -0.157 0.000 1.374 114 M HN 0.322 nan 8.290 nan 0.000 0.411 115 E N -0.130 120.012 120.200 -0.098 0.000 2.072 115 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 115 E C 2.089 178.641 176.600 -0.079 0.000 0.985 115 E CA 0.880 57.227 56.400 -0.089 0.000 0.801 115 E CB -0.112 29.557 29.700 -0.053 0.000 0.750 115 E HN 0.382 nan 8.360 nan 0.000 0.452 116 R N 1.281 121.741 120.500 -0.067 0.000 2.081 116 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 116 R C 2.254 178.515 176.300 -0.065 0.000 1.131 116 R CA 1.554 57.618 56.100 -0.059 0.000 0.960 116 R CB -0.183 30.085 30.300 -0.053 0.000 0.856 116 R HN 0.300 nan 8.270 nan 0.000 0.436 117 I N -1.798 118.726 120.570 -0.078 0.000 3.883 117 I HA 0.162 4.332 4.170 -0.000 0.000 0.326 117 I C -0.439 175.625 176.117 -0.089 0.000 1.283 117 I CA -0.112 61.140 61.300 -0.079 0.000 1.161 117 I CB 0.181 38.126 38.000 -0.092 0.000 1.012 117 I HN 0.153 nan 8.210 nan 0.000 0.421 118 Q N 1.547 121.281 119.800 -0.110 0.000 2.452 118 Q HA -0.175 4.165 4.340 -0.000 0.000 0.318 118 Q C -0.359 175.544 176.000 -0.162 0.000 1.386 118 Q CA 0.315 56.034 55.803 -0.141 0.000 0.872 118 Q CB -1.550 27.127 28.738 -0.102 0.000 1.151 118 Q HN 0.550 nan 8.270 nan 0.000 0.417 119 L N 1.393 122.506 121.223 -0.183 0.000 2.361 119 L HA 0.306 4.646 4.340 -0.000 0.000 0.278 119 L C -1.981 174.737 176.870 -0.252 0.000 1.113 119 L CA -1.266 53.488 54.840 -0.145 0.000 0.849 119 L CB 0.648 42.642 42.059 -0.110 0.000 1.155 119 L HN -0.082 nan 8.230 nan 0.000 0.452 120 P HA -0.006 nan 4.420 nan 0.000 0.271 120 P C 0.212 177.476 177.300 -0.059 0.000 1.216 120 P CA -0.136 62.853 63.100 -0.185 0.000 0.776 120 P CB 0.338 32.041 31.700 0.006 0.000 0.881 121 W N 1.856 123.205 121.300 0.081 0.000 2.350 121 W HA -0.140 4.520 4.660 -0.000 0.000 0.289 121 W C 1.224 177.901 176.519 0.264 0.000 1.215 121 W CA 1.833 59.270 57.345 0.153 0.000 1.236 121 W CB -1.026 28.473 29.460 0.064 0.000 1.130 121 W HN 0.464 nan 8.180 nan 0.000 0.541 122 D N -0.326 120.311 120.400 0.395 0.000 2.349 122 D HA -0.099 4.541 4.640 -0.000 0.000 0.224 122 D C 1.480 177.899 176.300 0.198 0.000 1.029 122 D CA 1.007 55.166 54.000 0.265 0.000 0.879 122 D CB -0.760 40.157 40.800 0.195 0.000 0.906 122 D HN 0.049 nan 8.370 nan 0.000 0.528 123 S N -0.914 114.927 115.700 0.234 0.000 2.556 123 S HA 0.177 4.647 4.470 -0.000 0.000 0.216 123 S C 0.526 175.295 174.600 0.283 0.000 0.970 123 S CA -0.527 57.802 58.200 0.215 0.000 0.912 123 S CB 0.027 63.405 63.200 0.296 0.000 0.790 123 S HN 0.030 nan 8.310 nan 0.000 0.504 124 V N 1.907 121.985 119.914 0.273 0.000 2.370 124 V HA 0.663 4.783 4.120 -0.000 0.000 0.283 124 V C 1.178 177.315 176.094 0.072 0.000 1.023 124 V CA -0.107 62.317 62.300 0.206 0.000 0.857 124 V CB 1.088 32.996 31.823 0.141 0.000 0.985 124 V HN 0.431 nan 8.190 nan 0.000 0.443 125 G N 4.514 113.385 108.800 0.117 0.000 2.939 125 G HA2 0.181 4.141 3.960 -0.000 0.000 0.216 125 G HA3 0.181 4.141 3.960 -0.000 0.000 0.216 125 G C 0.525 175.199 174.900 -0.376 0.000 1.125 125 G CA -0.121 45.020 45.100 0.068 0.000 0.766 125 G HN 0.513 nan 8.290 nan 0.000 0.541 126 R N -0.508 119.662 120.500 -0.549 0.000 2.584 126 R HA 0.607 4.947 4.340 -0.000 0.000 0.276 126 R C -2.397 173.656 176.300 -0.412 0.000 1.046 126 R CA -0.729 54.927 56.100 -0.740 0.000 0.906 126 R CB 1.870 31.338 30.300 -1.386 0.000 1.215 126 R HN 0.080 nan 8.270 nan 0.000 0.449 127 L N 2.600 123.609 121.223 -0.357 0.000 2.516 127 L HA 0.543 4.883 4.340 -0.000 0.000 0.267 127 L C -1.758 174.983 176.870 -0.215 0.000 0.957 127 L CA -0.042 54.642 54.840 -0.260 0.000 0.860 127 L CB 2.025 43.895 42.059 -0.315 0.000 1.265 127 L HN 0.826 nan 8.230 nan 0.000 0.403 128 E N 3.355 123.454 120.200 -0.167 0.000 2.321 128 E HA 0.686 5.036 4.350 -0.000 0.000 0.278 128 E C -1.945 174.586 176.600 -0.115 0.000 0.902 128 E CA -0.743 55.571 56.400 -0.142 0.000 0.758 128 E CB 2.319 31.931 29.700 -0.148 0.000 1.213 128 E HN 0.452 nan 8.360 nan 0.000 0.426 129 V N 2.895 122.752 119.914 -0.096 0.000 2.398 129 V HA 0.672 4.792 4.120 -0.000 0.000 0.286 129 V C 0.433 176.486 176.094 -0.068 0.000 1.026 129 V CA -0.322 61.932 62.300 -0.077 0.000 0.868 129 V CB 1.554 33.339 31.823 -0.063 0.000 0.982 129 V HN 0.737 nan 8.190 nan 0.000 0.443 130 G N 2.045 110.804 108.800 -0.068 0.000 2.343 130 G HA2 0.627 4.587 3.960 -0.000 0.000 0.319 130 G HA3 0.627 4.587 3.960 -0.000 0.000 0.319 130 G C -0.517 174.378 174.900 -0.008 0.000 1.126 130 G CA -0.275 44.791 45.100 -0.056 0.000 0.889 130 G HN 0.757 nan 8.290 nan 0.000 0.457 131 T N -0.102 114.460 114.554 0.014 0.000 2.786 131 T HA 0.422 4.772 4.350 -0.000 0.000 0.316 131 T C -0.256 174.485 174.700 0.068 0.000 1.503 131 T CA -0.327 61.808 62.100 0.059 0.000 1.019 131 T CB 1.602 70.504 68.868 0.057 0.000 1.415 131 T HN 0.686 nan 8.240 nan 0.000 0.496 132 E N 0.350 120.618 120.200 0.114 0.000 2.758 132 E HA 0.279 4.629 4.350 -0.000 0.000 0.215 132 E C -0.566 176.129 176.600 0.158 0.000 0.985 132 E CA -0.489 55.980 56.400 0.115 0.000 1.102 132 E CB 0.544 30.295 29.700 0.085 0.000 1.042 132 E HN 0.346 nan 8.360 nan 0.000 0.480 133 T N 2.677 117.323 114.554 0.153 0.000 2.832 133 T HA 0.320 4.670 4.350 -0.000 0.000 0.313 133 T C -0.361 174.399 174.700 0.100 0.000 1.035 133 T CA -0.465 61.723 62.100 0.146 0.000 0.950 133 T CB 0.323 69.278 68.868 0.145 0.000 0.984 133 T HN 0.158 nan 8.240 nan 0.000 0.486 134 I N 5.460 126.092 120.570 0.104 0.000 2.330 134 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 134 I C 1.128 177.298 176.117 0.087 0.000 1.001 134 I CA -0.800 60.550 61.300 0.083 0.000 1.193 134 I CB 1.078 39.128 38.000 0.084 0.000 1.345 134 I HN 0.677 nan 8.210 nan 0.000 0.461 135 I N 0.437 121.043 120.570 0.060 0.000 4.154 135 I HA 0.445 4.615 4.170 -0.000 0.000 0.334 135 I C -0.080 176.056 176.117 0.031 0.000 1.371 135 I CA 0.121 61.455 61.300 0.057 0.000 1.110 135 I CB 0.799 38.825 38.000 0.042 0.000 1.085 135 I HN 0.325 nan 8.210 nan 0.000 0.398 136 D N 1.762 122.176 120.400 0.023 0.000 2.966 136 D HA 0.222 4.862 4.640 -0.000 0.000 0.222 136 D C -0.017 176.287 176.300 0.007 0.000 1.292 136 D CA -0.337 53.661 54.000 -0.003 0.000 0.907 136 D CB 2.282 43.077 40.800 -0.008 0.000 1.621 136 D HN 0.015 nan 8.370 nan 0.000 0.557 137 K N 0.521 120.922 120.400 0.002 0.000 2.432 137 K HA -0.007 4.313 4.320 -0.000 0.000 0.196 137 K C 1.529 178.132 176.600 0.004 0.000 1.038 137 K CA 0.772 57.065 56.287 0.010 0.000 0.986 137 K CB 0.370 32.877 32.500 0.011 0.000 0.782 137 K HN 0.358 nan 8.250 nan 0.000 0.485 138 S N -0.244 115.455 115.700 -0.002 0.000 2.670 138 S HA 0.064 4.534 4.470 -0.000 0.000 0.241 138 S C 0.571 175.166 174.600 -0.008 0.000 1.077 138 S CA -0.427 57.771 58.200 -0.004 0.000 0.899 138 S CB 0.171 63.368 63.200 -0.005 0.000 0.835 138 S HN 0.016 nan 8.310 nan 0.000 0.481 139 K N 2.378 122.773 120.400 -0.008 0.000 2.285 139 K HA 0.635 4.954 4.320 -0.000 0.000 0.286 139 K C -0.188 176.404 176.600 -0.014 0.000 1.072 139 K CA -0.323 55.958 56.287 -0.011 0.000 0.913 139 K CB 0.806 33.301 32.500 -0.007 0.000 1.067 139 K HN 0.400 nan 8.250 nan 0.000 0.479 140 A N 3.566 126.372 122.820 -0.023 0.000 2.407 140 A HA 0.119 4.438 4.320 -0.000 0.000 0.248 140 A C 1.321 178.880 177.584 -0.041 0.000 1.082 140 A CA -0.565 51.454 52.037 -0.030 0.000 0.785 140 A CB 0.755 19.731 19.000 -0.040 0.000 1.020 140 A HN 0.686 nan 8.150 nan 0.000 0.489 141 V N 2.248 122.135 119.914 -0.045 0.000 2.380 141 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 141 V C 2.618 178.662 176.094 -0.085 0.000 1.063 141 V CA 2.634 64.893 62.300 -0.068 0.000 1.055 141 V CB -0.928 30.856 31.823 -0.065 0.000 0.657 141 V HN 1.087 nan 8.190 nan 0.000 0.455 142 K N 1.547 121.900 120.400 -0.078 0.000 2.089 142 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 142 K C 2.116 178.666 176.600 -0.083 0.000 1.048 142 K CA 2.647 58.881 56.287 -0.089 0.000 0.926 142 K CB -1.050 31.392 32.500 -0.097 0.000 0.714 142 K HN 0.675 nan 8.250 nan 0.000 0.448 143 T N -2.142 112.371 114.554 -0.069 0.000 2.788 143 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 143 T C 1.944 176.608 174.700 -0.061 0.000 1.044 143 T CA 1.418 63.484 62.100 -0.057 0.000 1.139 143 T CB -0.727 68.115 68.868 -0.042 0.000 0.867 143 T HN -0.018 nan 8.240 nan 0.000 0.454 144 V N 1.779 121.645 119.914 -0.080 0.000 2.427 144 V HA -0.006 4.114 4.120 -0.000 0.000 0.248 144 V C 2.752 178.749 176.094 -0.161 0.000 1.051 144 V CA 1.286 63.515 62.300 -0.118 0.000 1.048 144 V CB -0.798 30.929 31.823 -0.160 0.000 0.666 144 V HN 0.470 nan 8.190 nan 0.000 0.456 145 L N -0.810 120.330 121.223 -0.137 0.000 2.265 145 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 145 L C 2.486 179.376 176.870 0.032 0.000 1.117 145 L CA 0.896 55.678 54.840 -0.097 0.000 0.782 145 L CB -0.503 41.526 42.059 -0.051 0.000 0.914 145 L HN 0.314 nan 8.230 nan 0.000 0.441 146 M N -0.737 118.874 119.600 0.018 0.000 2.446 146 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 146 M C 1.990 178.331 176.300 0.068 0.000 1.066 146 M CA 1.138 56.491 55.300 0.089 0.000 1.087 146 M CB -0.882 31.726 32.600 0.013 0.000 1.406 146 M HN 0.207 nan 8.290 nan 0.000 0.459 147 E N 0.511 120.693 120.200 -0.031 0.000 2.219 147 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 147 E C 2.029 178.587 176.600 -0.069 0.000 0.998 147 E CA 1.098 57.454 56.400 -0.074 0.000 0.818 147 E CB -0.317 29.280 29.700 -0.171 0.000 0.741 147 E HN 0.549 nan 8.360 nan 0.000 0.477 148 L N -1.266 119.924 121.223 -0.055 0.000 2.418 148 L HA 0.010 4.350 4.340 -0.000 0.000 0.218 148 L C 1.655 178.371 176.870 -0.257 0.000 1.125 148 L CA 0.416 55.173 54.840 -0.138 0.000 0.835 148 L CB -0.076 41.853 42.059 -0.218 0.000 0.953 148 L HN 0.026 nan 8.230 nan 0.000 0.454 149 F N -0.722 119.224 119.950 -0.005 0.000 2.667 149 F HA 0.001 4.528 4.527 -0.000 0.000 0.288 149 F C 2.568 178.297 175.800 -0.118 0.000 1.086 149 F CA -0.059 57.937 58.000 -0.008 0.000 1.297 149 F CB 0.030 39.056 39.000 0.044 0.000 1.059 149 F HN -0.023 nan 8.300 nan 0.000 0.624 150 Q N 0.409 120.256 119.800 0.078 0.000 2.119 150 Q HA -0.172 4.168 4.340 -0.000 0.000 0.201 150 Q C 0.799 176.754 176.000 -0.076 0.000 0.972 150 Q CA 1.955 57.763 55.803 0.007 0.000 0.847 150 Q CB -0.501 28.238 28.738 0.001 0.000 0.903 150 Q HN 0.211 nan 8.270 nan 0.000 0.433 151 D N 1.527 121.844 120.400 -0.139 0.000 2.219 151 D HA -0.108 4.532 4.640 -0.000 0.000 0.205 151 D C 2.014 178.161 176.300 -0.255 0.000 0.970 151 D CA 1.572 55.467 54.000 -0.177 0.000 0.851 151 D CB -0.064 40.625 40.800 -0.185 0.000 0.943 151 D HN 0.488 nan 8.370 nan 0.000 0.488 152 S N -0.969 114.497 115.700 -0.390 0.000 2.561 152 S HA 0.174 4.644 4.470 -0.000 0.000 0.225 152 S C 1.737 176.231 174.600 -0.176 0.000 0.977 152 S CA 0.776 58.705 58.200 -0.452 0.000 0.926 152 S CB 0.187 62.874 63.200 -0.856 0.000 0.769 152 S HN 0.296 nan 8.310 nan 0.000 0.533 153 G N 1.361 110.099 108.800 -0.102 0.000 2.141 153 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.231 153 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.231 153 G C -0.272 174.638 174.900 0.016 0.000 0.984 153 G CA -0.096 44.984 45.100 -0.034 0.000 0.660 153 G HN 0.542 nan 8.290 nan 0.000 0.525 154 N N 1.217 119.952 118.700 0.058 0.000 2.817 154 N HA 0.349 5.089 4.740 -0.000 0.000 0.234 154 N C 1.031 176.587 175.510 0.077 0.000 1.066 154 N CA 0.575 53.691 53.050 0.109 0.000 0.926 154 N CB 1.163 39.791 38.487 0.236 0.000 1.176 154 N HN 0.483 nan 8.380 nan 0.000 0.506 155 T N -3.446 111.121 114.554 0.021 0.000 3.040 155 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 155 T C 0.414 175.089 174.700 -0.041 0.000 1.005 155 T CA -0.241 61.851 62.100 -0.014 0.000 0.906 155 T CB 0.202 69.064 68.868 -0.011 0.000 1.082 155 T HN 0.023 nan 8.240 nan 0.000 0.531 156 D N 1.942 122.325 120.400 -0.028 0.000 2.713 156 D HA 0.267 4.907 4.640 -0.000 0.000 0.229 156 D C -0.569 175.695 176.300 -0.060 0.000 1.136 156 D CA -0.561 53.421 54.000 -0.030 0.000 1.010 156 D CB -0.761 40.038 40.800 -0.001 0.000 1.084 156 D HN 0.533 nan 8.370 nan 0.000 0.495 157 I N 1.783 122.282 120.570 -0.119 0.000 2.448 157 I HA 0.217 4.387 4.170 -0.000 0.000 0.281 157 I C 0.509 176.492 176.117 -0.224 0.000 1.027 157 I CA -0.960 60.217 61.300 -0.205 0.000 1.111 157 I CB 1.662 39.473 38.000 -0.315 0.000 1.236 157 I HN 0.104 nan 8.210 nan 0.000 0.452 158 E N 4.516 124.555 120.200 -0.269 0.000 2.409 158 E HA 0.491 4.841 4.350 -0.000 0.000 0.257 158 E C 0.231 176.644 176.600 -0.312 0.000 1.150 158 E CA 0.417 56.653 56.400 -0.274 0.000 0.942 158 E CB 0.914 30.410 29.700 -0.341 0.000 0.979 158 E HN 0.852 nan 8.360 nan 0.000 0.447 159 G N 1.179 109.842 108.800 -0.228 0.000 2.674 159 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.686 159 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.686 159 G C -0.359 174.454 174.900 -0.146 0.000 1.195 159 G CA -0.311 44.670 45.100 -0.199 0.000 0.776 159 G HN 0.683 nan 8.290 nan 0.000 0.654 160 I N -2.593 117.909 120.570 -0.113 0.000 4.192 160 I HA 0.836 5.006 4.170 -0.000 0.000 0.170 160 I C -0.711 175.358 176.117 -0.080 0.000 0.593 160 I CA -0.908 60.338 61.300 -0.090 0.000 2.365 160 I CB 0.709 38.669 38.000 -0.066 0.000 1.194 160 I HN 0.374 nan 8.210 nan 0.000 0.418 161 D N 0.506 120.871 120.400 -0.059 0.000 2.299 161 D HA 0.653 5.293 4.640 -0.000 0.000 0.243 161 D C -1.020 175.255 176.300 -0.041 0.000 0.982 161 D CA -0.021 53.949 54.000 -0.050 0.000 0.924 161 D CB 2.200 42.980 40.800 -0.034 0.000 1.238 161 D HN 0.521 nan 8.370 nan 0.000 0.484 162 T N -0.134 114.397 114.554 -0.038 0.000 2.971 162 T HA 0.576 4.926 4.350 -0.000 0.000 0.304 162 T C -1.457 173.233 174.700 -0.016 0.000 1.038 162 T CA -0.372 61.712 62.100 -0.028 0.000 1.007 162 T CB 0.919 69.763 68.868 -0.038 0.000 1.055 162 T HN 0.183 nan 8.240 nan 0.000 0.451 163 T N 4.651 119.206 114.554 0.002 0.000 2.928 163 T HA 0.603 4.952 4.350 -0.000 0.000 0.296 163 T C -1.078 173.635 174.700 0.020 0.000 1.000 163 T CA -0.741 61.367 62.100 0.013 0.000 0.989 163 T CB 1.030 69.911 68.868 0.021 0.000 1.005 163 T HN 0.650 nan 8.240 nan 0.000 0.442 164 N N 1.769 120.484 118.700 0.025 0.000 2.699 164 N HA 0.528 5.268 4.740 -0.000 0.000 0.271 164 N C 0.238 175.727 175.510 -0.035 0.000 1.216 164 N CA 0.448 53.496 53.050 -0.004 0.000 0.844 164 N CB 0.665 39.131 38.487 -0.035 0.000 1.462 164 N HN 0.940 nan 8.380 nan 0.000 0.555 165 A N 1.238 124.036 122.820 -0.036 0.000 5.481 165 A HA -0.344 3.976 4.320 -0.000 0.000 0.318 165 A C 1.355 178.834 177.584 -0.176 0.000 1.837 165 A CA 1.311 53.272 52.037 -0.126 0.000 0.717 165 A CB -1.665 17.214 19.000 -0.202 0.000 1.349 165 A HN 0.844 nan 8.150 nan 0.000 0.388 166 C N -1.795 117.326 119.300 -0.297 0.000 2.551 166 C HA 0.327 4.787 4.460 -0.000 0.000 0.284 166 C C 1.740 176.631 174.990 -0.164 0.000 1.329 166 C CA 1.118 59.985 59.018 -0.252 0.000 1.683 166 C CB -2.094 25.336 27.740 -0.516 0.000 1.730 166 C HN 0.621 nan 8.230 nan 0.000 0.591 167 Y N 1.119 121.265 120.300 -0.257 0.000 2.497 167 Y HA 0.246 4.796 4.550 -0.000 0.000 0.265 167 Y C 2.143 177.949 175.900 -0.157 0.000 1.111 167 Y CA 0.855 58.817 58.100 -0.231 0.000 1.288 167 Y CB -0.347 37.948 38.460 -0.275 0.000 1.082 167 Y HN 0.229 nan 8.280 nan 0.000 0.536 168 G N 0.090 108.828 108.800 -0.103 0.000 2.450 168 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 168 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 168 G C 1.849 176.619 174.900 -0.217 0.000 1.130 168 G CA 0.856 45.876 45.100 -0.135 0.000 0.760 168 G HN 0.556 nan 8.290 nan 0.000 0.557 169 G N 0.231 108.931 108.800 -0.165 0.000 2.421 169 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 169 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 169 G C 1.835 176.537 174.900 -0.330 0.000 1.171 169 G CA 1.688 46.684 45.100 -0.173 0.000 0.775 169 G HN 0.374 nan 8.290 nan 0.000 0.543 170 T N 1.690 116.003 114.554 -0.401 0.000 2.746 170 T HA 0.025 4.374 4.350 -0.000 0.000 0.267 170 T C 2.814 176.878 174.700 -1.060 0.000 1.039 170 T CA 1.447 63.086 62.100 -0.769 0.000 1.142 170 T CB -0.368 67.910 68.868 -0.984 0.000 0.866 170 T HN 0.375 nan 8.240 nan 0.000 0.444 171 A N 1.126 123.395 122.820 -0.919 0.000 1.908 171 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 171 A C 2.574 179.992 177.584 -0.278 0.000 1.181 171 A CA 2.228 53.971 52.037 -0.491 0.000 0.627 171 A CB -1.121 17.740 19.000 -0.231 0.000 0.818 171 A HN 0.465 nan 8.150 nan 0.000 0.445 172 S N -0.924 114.614 115.700 -0.271 0.000 2.368 172 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 172 S C 1.935 176.435 174.600 -0.166 0.000 1.030 172 S CA 1.468 59.558 58.200 -0.183 0.000 0.999 172 S CB -0.471 62.623 63.200 -0.177 0.000 0.844 172 S HN 0.490 nan 8.310 nan 0.000 0.459 173 L N 1.005 122.074 121.223 -0.257 0.000 2.012 173 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 173 L C 1.960 178.838 176.870 0.013 0.000 1.073 173 L CA 1.998 56.739 54.840 -0.167 0.000 0.748 173 L CB -1.118 40.787 42.059 -0.255 0.000 0.891 173 L HN 0.296 nan 8.230 nan 0.000 0.431 174 F N 0.378 120.204 119.950 -0.208 0.000 2.134 174 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 174 F C 2.483 178.233 175.800 -0.083 0.000 1.097 174 F CA 1.144 59.042 58.000 -0.171 0.000 1.264 174 F CB -1.634 37.254 39.000 -0.187 0.000 1.001 174 F HN 0.267 nan 8.300 nan 0.000 0.479 175 N N 0.356 119.129 118.700 0.122 0.000 2.149 175 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 175 N C 2.028 177.604 175.510 0.110 0.000 1.019 175 N CA 1.429 54.528 53.050 0.082 0.000 0.857 175 N CB -0.662 37.836 38.487 0.018 0.000 0.997 175 N HN 0.252 nan 8.380 nan 0.000 0.426 176 A N 0.806 123.677 122.820 0.085 0.000 1.873 176 A HA 0.088 4.408 4.320 -0.000 0.000 0.215 176 A C 2.359 180.065 177.584 0.204 0.000 1.186 176 A CA 1.825 53.951 52.037 0.148 0.000 0.616 176 A CB -0.869 18.178 19.000 0.078 0.000 0.823 176 A HN 0.302 nan 8.150 nan 0.000 0.442 177 A N 0.408 123.297 122.820 0.114 0.000 1.902 177 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 177 A C 1.913 179.504 177.584 0.012 0.000 1.181 177 A CA 1.868 53.931 52.037 0.043 0.000 0.623 177 A CB -0.679 18.335 19.000 0.024 0.000 0.818 177 A HN 0.543 nan 8.150 nan 0.000 0.443 178 N N -1.084 117.646 118.700 0.051 0.000 2.069 178 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 178 N C 1.394 176.953 175.510 0.082 0.000 1.031 178 N CA 1.680 54.753 53.050 0.039 0.000 0.852 178 N CB -0.723 37.799 38.487 0.058 0.000 1.018 178 N HN 0.804 nan 8.380 nan 0.000 0.423 179 W N 1.656 122.938 121.300 -0.030 0.000 2.335 179 W HA -0.076 4.584 4.660 -0.000 0.000 0.311 179 W C 2.407 178.912 176.519 -0.023 0.000 1.213 179 W CA 1.446 58.792 57.345 0.003 0.000 1.274 179 W CB -0.523 28.954 29.460 0.029 0.000 1.148 179 W HN 0.036 nan 8.180 nan 0.000 0.498 180 M N 0.468 119.929 119.600 -0.231 0.000 2.279 180 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 180 M C 1.253 177.078 176.300 -0.791 0.000 1.062 180 M CA 1.944 56.708 55.300 -0.895 0.000 1.099 180 M CB -0.184 32.007 32.600 -0.682 0.000 1.394 180 M HN 0.051 nan 8.290 nan 0.000 0.426 181 E N -0.123 119.843 120.200 -0.389 0.000 2.479 181 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 181 E C 0.564 177.071 176.600 -0.155 0.000 1.049 181 E CA 0.074 56.315 56.400 -0.265 0.000 0.870 181 E CB 0.304 29.898 29.700 -0.177 0.000 0.944 181 E HN 0.504 nan 8.360 nan 0.000 0.492 182 S N -0.175 115.435 115.700 -0.150 0.000 2.738 182 S HA 0.144 4.614 4.470 -0.000 0.000 0.284 182 S C 1.336 175.908 174.600 -0.045 0.000 1.146 182 S CA -0.214 57.943 58.200 -0.071 0.000 0.997 182 S CB 1.531 64.712 63.200 -0.031 0.000 1.081 182 S HN 0.058 nan 8.310 nan 0.000 0.553 183 S N 0.036 115.726 115.700 -0.016 0.000 2.515 183 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 183 S C 1.341 175.937 174.600 -0.007 0.000 0.987 183 S CA 0.790 58.987 58.200 -0.004 0.000 0.936 183 S CB -0.805 62.397 63.200 0.003 0.000 0.766 183 S HN 0.584 nan 8.310 nan 0.000 0.528 184 S N 0.150 115.842 115.700 -0.013 0.000 2.558 184 S HA 0.185 4.655 4.470 -0.000 0.000 0.217 184 S C 0.051 174.595 174.600 -0.094 0.000 0.975 184 S CA -0.566 57.648 58.200 0.023 0.000 0.912 184 S CB -0.263 63.037 63.200 0.166 0.000 0.776 184 S HN 0.764 nan 8.310 nan 0.000 0.526 185 W N 4.732 125.704 121.300 -0.546 0.000 2.223 185 W HA 0.147 4.807 4.660 -0.000 0.000 0.334 185 W C -0.106 176.181 176.519 -0.385 0.000 1.334 185 W CA -0.687 56.157 57.345 -0.834 0.000 1.246 185 W CB 0.394 29.398 29.460 -0.759 0.000 1.184 185 W HN 0.177 nan 8.180 nan 0.000 0.563 186 D N 2.657 122.633 120.400 -0.706 0.000 2.538 186 D HA 0.241 4.881 4.640 -0.000 0.000 0.231 186 D C 1.391 177.153 176.300 -0.898 0.000 1.229 186 D CA 0.134 53.792 54.000 -0.571 0.000 0.828 186 D CB 0.036 40.730 40.800 -0.177 0.000 1.035 186 D HN 0.697 nan 8.370 nan 0.000 0.495 187 G N 0.339 107.941 108.800 -1.996 0.000 2.195 187 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.246 187 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.246 187 G C 0.417 174.905 174.900 -0.687 0.000 0.984 187 G CA -0.137 43.926 45.100 -1.730 0.000 0.633 187 G HN 0.455 nan 8.290 nan 0.000 0.525 188 R N -0.689 119.617 120.500 -0.322 0.000 2.546 188 R HA 0.576 4.915 4.340 -0.000 0.000 0.266 188 R C 0.143 176.679 176.300 0.393 0.000 1.086 188 R CA -0.716 55.405 56.100 0.036 0.000 1.160 188 R CB 0.395 30.788 30.300 0.155 0.000 1.138 188 R HN 0.190 nan 8.270 nan 0.000 0.567 189 Y N 0.042 120.577 120.300 0.391 0.000 2.357 189 Y HA 0.241 4.791 4.550 -0.000 0.000 0.340 189 Y C 0.736 176.877 175.900 0.402 0.000 1.260 189 Y CA -0.223 58.100 58.100 0.372 0.000 1.425 189 Y CB 0.512 39.100 38.460 0.214 0.000 1.326 189 Y HN 0.557 nan 8.280 nan 0.000 0.580 190 A N 2.445 125.580 122.820 0.525 0.000 2.325 190 A HA 0.726 5.045 4.320 -0.000 0.000 0.333 190 A C -0.917 176.741 177.584 0.123 0.000 1.155 190 A CA -0.780 51.396 52.037 0.232 0.000 0.814 190 A CB 0.872 20.011 19.000 0.230 0.000 1.206 190 A HN 0.728 nan 8.150 nan 0.000 0.482 191 M N 2.841 122.444 119.600 0.005 0.000 2.181 191 M HA 0.541 5.021 4.480 -0.000 0.000 0.323 191 M C -1.629 174.633 176.300 -0.062 0.000 1.004 191 M CA -0.237 55.056 55.300 -0.012 0.000 0.941 191 M CB 1.526 34.129 32.600 0.004 0.000 1.579 191 M HN 0.314 nan 8.290 nan 0.000 0.427 192 V N 6.097 125.969 119.914 -0.070 0.000 2.370 192 V HA 0.645 4.765 4.120 -0.000 0.000 0.283 192 V C -0.733 175.293 176.094 -0.114 0.000 1.023 192 V CA -0.631 61.600 62.300 -0.115 0.000 0.857 192 V CB 1.497 33.226 31.823 -0.156 0.000 0.985 192 V HN 0.702 nan 8.190 nan 0.000 0.443 193 V N 4.546 124.397 119.914 -0.105 0.000 2.604 193 V HA 0.693 4.813 4.120 -0.000 0.000 0.305 193 V C -0.152 175.899 176.094 -0.071 0.000 1.043 193 V CA -0.509 61.746 62.300 -0.075 0.000 0.888 193 V CB 1.825 33.615 31.823 -0.056 0.000 0.995 193 V HN 1.117 nan 8.190 nan 0.000 0.429 194 C N 1.618 120.897 119.300 -0.035 0.000 3.173 194 C HA 1.091 5.551 4.460 -0.000 0.000 0.310 194 C C 0.077 175.109 174.990 0.069 0.000 1.306 194 C CA -0.221 58.801 59.018 0.006 0.000 1.426 194 C CB 1.094 28.836 27.740 0.002 0.000 1.800 194 C HN 1.475 nan 8.230 nan 0.000 0.470 195 G N 0.797 109.655 108.800 0.097 0.000 2.368 195 G HA2 0.651 4.611 3.960 -0.000 0.000 0.293 195 G HA3 0.651 4.611 3.960 -0.000 0.000 0.293 195 G C -2.643 172.349 174.900 0.152 0.000 1.467 195 G CA -0.225 44.956 45.100 0.135 0.000 0.804 195 G HN 0.922 nan 8.290 nan 0.000 0.535 196 D N -0.955 119.546 120.400 0.168 0.000 2.728 196 D HA 0.285 4.925 4.640 -0.000 0.000 0.249 196 D C -1.148 175.231 176.300 0.132 0.000 1.225 196 D CA -0.373 53.738 54.000 0.185 0.000 0.748 196 D CB 2.215 43.194 40.800 0.297 0.000 1.326 196 D HN 0.398 nan 8.370 nan 0.000 0.426 197 I N 1.351 121.993 120.570 0.121 0.000 2.359 197 I HA 0.461 4.631 4.170 -0.000 0.000 0.284 197 I C -0.006 176.113 176.117 0.003 0.000 1.018 197 I CA -0.549 60.797 61.300 0.078 0.000 1.173 197 I CB 1.566 39.630 38.000 0.107 0.000 1.326 197 I HN 0.294 nan 8.210 nan 0.000 0.462 198 A N 7.510 130.217 122.820 -0.188 0.000 2.260 198 A HA 0.710 5.030 4.320 -0.000 0.000 0.312 198 A C -0.315 177.188 177.584 -0.134 0.000 1.321 198 A CA -0.418 51.333 52.037 -0.476 0.000 0.928 198 A CB 0.449 18.756 19.000 -1.155 0.000 1.158 198 A HN 0.565 nan 8.150 nan 0.000 0.542 199 V N 0.442 120.318 119.914 -0.063 0.000 2.789 199 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 199 V C -1.234 174.872 176.094 0.020 0.000 1.073 199 V CA -0.981 61.381 62.300 0.103 0.000 0.921 199 V CB 1.070 33.041 31.823 0.247 0.000 1.009 199 V HN 0.682 nan 8.190 nan 0.000 0.426 200 Y N 2.728 123.167 120.300 0.232 0.000 2.602 200 Y HA 0.793 5.343 4.550 -0.000 0.000 0.342 200 Y C -2.370 173.212 175.900 -0.531 0.000 1.029 200 Y CA -2.458 55.605 58.100 -0.063 0.000 1.080 200 Y CB 2.382 40.840 38.460 -0.005 0.000 1.284 200 Y HN 0.501 nan 8.280 nan 0.000 0.485 201 P HA -0.004 nan 4.420 nan 0.000 0.273 201 P C -0.183 176.985 177.300 -0.219 0.000 1.250 201 P CA -0.279 62.369 63.100 -0.752 0.000 0.793 201 P CB 0.812 32.123 31.700 -0.649 0.000 1.011 202 S N -0.276 115.358 115.700 -0.110 0.000 2.558 202 S HA 0.403 4.873 4.470 -0.000 0.000 0.293 202 S C 0.472 175.052 174.600 -0.034 0.000 1.292 202 S CA 1.195 59.383 58.200 -0.020 0.000 1.063 202 S CB -1.409 61.798 63.200 0.012 0.000 0.831 202 S HN 0.928 nan 8.310 nan 0.000 0.499 203 G N 3.834 112.628 108.800 -0.011 0.000 2.357 203 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.289 203 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.289 203 G C 0.101 174.972 174.900 -0.049 0.000 1.302 203 G CA -0.084 44.998 45.100 -0.029 0.000 0.936 203 G HN 0.733 nan 8.290 nan 0.000 0.513 204 N N -0.075 118.585 118.700 -0.067 0.000 2.520 204 N HA 0.176 4.916 4.740 -0.000 0.000 0.185 204 N C 1.840 177.226 175.510 -0.208 0.000 1.068 204 N CA 2.095 55.089 53.050 -0.095 0.000 0.911 204 N CB -0.186 38.257 38.487 -0.073 0.000 0.961 204 N HN 1.146 nan 8.380 nan 0.000 0.446 205 A N 0.592 123.249 122.820 -0.272 0.000 2.095 205 A HA 0.128 4.448 4.320 -0.000 0.000 0.212 205 A C 2.228 179.525 177.584 -0.477 0.000 1.162 205 A CA 0.301 52.011 52.037 -0.545 0.000 0.753 205 A CB -0.447 18.019 19.000 -0.890 0.000 0.840 205 A HN 0.291 nan 8.150 nan 0.000 0.468 206 R N 0.510 120.908 120.500 -0.169 0.000 2.117 206 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 206 R C -1.218 175.078 176.300 -0.006 0.000 1.143 206 R CA 2.039 58.172 56.100 0.055 0.000 0.968 206 R CB -1.045 29.312 30.300 0.096 0.000 0.863 206 R HN 0.347 nan 8.270 nan 0.000 0.444 207 P HA -0.023 nan 4.420 nan 0.000 0.239 207 P C -0.002 177.156 177.300 -0.237 0.000 1.184 207 P CA 1.242 64.112 63.100 -0.384 0.000 0.760 207 P CB 0.237 31.344 31.700 -0.987 0.000 0.884 208 T N -4.716 109.758 114.554 -0.133 0.000 3.215 208 T HA 0.428 4.778 4.350 -0.000 0.000 0.271 208 T C 0.892 175.736 174.700 0.240 0.000 1.012 208 T CA -0.443 61.660 62.100 0.005 0.000 0.899 208 T CB -0.246 68.598 68.868 -0.040 0.000 1.089 208 T HN -0.057 nan 8.240 nan 0.000 0.552 209 G N -0.097 108.866 108.800 0.271 0.000 2.510 209 G HA2 0.720 4.680 3.960 -0.000 0.000 0.280 209 G HA3 0.720 4.680 3.960 -0.000 0.000 0.280 209 G C 0.143 175.109 174.900 0.110 0.000 1.386 209 G CA -0.310 44.945 45.100 0.258 0.000 1.047 209 G HN 0.941 nan 8.290 nan 0.000 0.527 210 G N -2.912 105.927 108.800 0.065 0.000 2.327 210 G HA2 0.666 4.626 3.960 -0.000 0.000 0.291 210 G HA3 0.666 4.626 3.960 -0.000 0.000 0.291 210 G C -1.335 173.594 174.900 0.049 0.000 1.290 210 G CA 0.274 45.413 45.100 0.065 0.000 0.857 210 G HN 2.014 nan 8.290 nan 0.000 0.520 211 A N -1.593 121.275 122.820 0.080 0.000 2.594 211 A HA 1.184 5.504 4.320 -0.000 0.000 0.296 211 A C 0.009 177.676 177.584 0.138 0.000 1.056 211 A CA 0.582 52.681 52.037 0.104 0.000 0.693 211 A CB 1.241 20.324 19.000 0.139 0.000 1.278 211 A HN 2.823 nan 8.150 nan 0.000 0.408 212 G N -1.025 107.878 108.800 0.172 0.000 2.327 212 G HA2 0.816 4.776 3.960 -0.000 0.000 0.291 212 G HA3 0.816 4.776 3.960 -0.000 0.000 0.291 212 G C -0.794 174.249 174.900 0.238 0.000 1.290 212 G CA 0.452 45.681 45.100 0.215 0.000 0.857 212 G HN 2.510 nan 8.290 nan 0.000 0.520 213 A N -1.621 121.356 122.820 0.262 0.000 2.609 213 A HA 0.937 5.257 4.320 -0.000 0.000 0.291 213 A C -1.494 176.199 177.584 0.182 0.000 1.096 213 A CA -0.406 51.755 52.037 0.207 0.000 0.684 213 A CB 1.860 20.971 19.000 0.186 0.000 1.282 213 A HN 1.876 nan 8.150 nan 0.000 0.412 214 V N 0.028 120.019 119.914 0.129 0.000 2.760 214 V HA 0.788 4.908 4.120 -0.000 0.000 0.309 214 V C -0.012 176.100 176.094 0.031 0.000 1.077 214 V CA -0.064 62.295 62.300 0.098 0.000 0.910 214 V CB 1.830 33.733 31.823 0.133 0.000 1.008 214 V HN 1.717 nan 8.190 nan 0.000 0.424 215 A N 5.579 128.407 122.820 0.015 0.000 2.355 215 A HA 0.974 5.293 4.320 -0.000 0.000 0.317 215 A C -0.813 176.751 177.584 -0.034 0.000 1.094 215 A CA -0.582 51.444 52.037 -0.020 0.000 0.764 215 A CB 1.413 20.407 19.000 -0.009 0.000 1.230 215 A HN 0.800 nan 8.150 nan 0.000 0.448 216 M N 2.203 121.766 119.600 -0.061 0.000 2.326 216 M HA 0.381 4.861 4.480 -0.000 0.000 0.306 216 M C -1.114 175.159 176.300 -0.045 0.000 1.054 216 M CA -0.655 54.610 55.300 -0.057 0.000 0.922 216 M CB 2.039 34.588 32.600 -0.085 0.000 1.632 216 M HN 0.624 nan 8.290 nan 0.000 0.436 217 L N 4.910 126.101 121.223 -0.053 0.000 2.276 217 L HA 0.520 4.860 4.340 -0.000 0.000 0.286 217 L C -1.075 175.787 176.870 -0.012 0.000 1.061 217 L CA -0.104 54.695 54.840 -0.068 0.000 0.807 217 L CB 0.452 42.396 42.059 -0.192 0.000 1.177 217 L HN 0.486 nan 8.230 nan 0.000 0.429 218 I N 4.836 125.450 120.570 0.075 0.000 2.377 218 I HA 0.756 4.926 4.170 -0.000 0.000 0.293 218 I C 0.585 176.857 176.117 0.259 0.000 0.987 218 I CA -0.367 61.015 61.300 0.137 0.000 1.185 218 I CB 0.757 38.839 38.000 0.137 0.000 1.341 218 I HN 0.709 nan 8.210 nan 0.000 0.455 219 G N 6.477 115.411 108.800 0.224 0.000 2.608 219 G HA2 0.674 4.634 3.960 -0.000 0.000 0.291 219 G HA3 0.674 4.634 3.960 -0.000 0.000 0.291 219 G C -3.333 171.640 174.900 0.122 0.000 1.425 219 G CA -0.922 44.351 45.100 0.288 0.000 0.787 219 G HN 0.265 nan 8.290 nan 0.000 0.484 220 P HA 0.262 nan 4.420 nan 0.000 0.272 220 P C -0.392 176.957 177.300 0.081 0.000 1.240 220 P CA -0.016 63.094 63.100 0.016 0.000 0.791 220 P CB 0.353 32.068 31.700 0.025 0.000 0.978 221 K N -2.081 118.354 120.400 0.058 0.000 3.071 221 K HA -0.141 4.179 4.320 -0.000 0.000 0.265 221 K C -0.016 176.631 176.600 0.078 0.000 1.060 221 K CA 0.384 56.713 56.287 0.069 0.000 0.767 221 K CB -2.155 30.391 32.500 0.077 0.000 1.241 221 K HN 0.615 nan 8.250 nan 0.000 0.486 222 A N 0.857 123.725 122.820 0.080 0.000 2.316 222 A HA 0.428 4.748 4.320 -0.000 0.000 0.284 222 A C -0.884 176.745 177.584 0.075 0.000 1.115 222 A CA -1.260 50.825 52.037 0.081 0.000 0.812 222 A CB 0.381 19.438 19.000 0.096 0.000 1.064 222 A HN 0.036 nan 8.150 nan 0.000 0.489 223 P HA 0.006 nan 4.420 nan 0.000 0.225 223 P C -0.034 177.297 177.300 0.052 0.000 1.156 223 P CA 0.982 64.109 63.100 0.046 0.000 0.787 223 P CB 0.100 31.813 31.700 0.021 0.000 0.802 224 L N 0.298 121.550 121.223 0.048 0.000 2.335 224 L HA 0.530 4.870 4.340 -0.000 0.000 0.268 224 L C 0.155 177.181 176.870 0.260 0.000 1.037 224 L CA -0.974 53.909 54.840 0.072 0.000 0.895 224 L CB 1.140 43.084 42.059 -0.193 0.000 1.266 224 L HN -0.152 nan 8.230 nan 0.000 0.439 225 A N 4.336 127.328 122.820 0.287 0.000 2.289 225 A HA 0.594 4.914 4.320 -0.000 0.000 0.298 225 A C -0.027 177.759 177.584 0.336 0.000 1.208 225 A CA -0.514 51.683 52.037 0.267 0.000 0.845 225 A CB 0.541 19.639 19.000 0.163 0.000 1.125 225 A HN 0.661 nan 8.150 nan 0.000 0.517 226 L N 2.377 123.761 121.223 0.267 0.000 2.499 226 L HA 0.036 4.376 4.340 -0.000 0.000 0.273 226 L C 0.727 177.642 176.870 0.075 0.000 1.195 226 L CA 0.309 55.209 54.840 0.099 0.000 0.882 226 L CB 0.351 42.440 42.059 0.051 0.000 1.133 226 L HN 0.690 nan 8.230 nan 0.000 0.483 227 E N 4.681 124.921 120.200 0.067 0.000 2.217 227 E HA 0.112 4.462 4.350 -0.000 0.000 0.279 227 E C -0.367 176.242 176.600 0.016 0.000 1.068 227 E CA -0.366 56.079 56.400 0.075 0.000 0.882 227 E CB 0.644 30.419 29.700 0.124 0.000 1.039 227 E HN 0.408 nan 8.360 nan 0.000 0.418 228 R N 1.127 121.624 120.500 -0.004 0.000 2.537 228 R HA 0.100 4.440 4.340 -0.000 0.000 0.280 228 R C 1.105 177.360 176.300 -0.076 0.000 1.058 228 R CA 0.798 56.870 56.100 -0.047 0.000 1.057 228 R CB 0.422 30.699 30.300 -0.039 0.000 0.973 228 R HN 0.900 nan 8.270 nan 0.000 0.438 229 G N 2.313 111.049 108.800 -0.107 0.000 2.184 229 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 229 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 229 G C 0.209 175.017 174.900 -0.152 0.000 0.975 229 G CA -0.155 44.869 45.100 -0.127 0.000 0.642 229 G HN 0.515 nan 8.290 nan 0.000 0.536 230 L N 0.869 122.015 121.223 -0.129 0.000 2.701 230 L HA 0.449 4.789 4.340 -0.000 0.000 0.237 230 L C 0.642 177.562 176.870 0.085 0.000 1.204 230 L CA -0.404 54.355 54.840 -0.135 0.000 1.109 230 L CB 0.471 42.423 42.059 -0.177 0.000 1.409 230 L HN 0.093 nan 8.230 nan 0.000 0.428 231 R N 0.891 121.398 120.500 0.011 0.000 2.320 231 R HA 0.406 4.746 4.340 -0.000 0.000 0.319 231 R C 0.324 176.724 176.300 0.168 0.000 0.969 231 R CA -0.460 55.698 56.100 0.097 0.000 0.857 231 R CB 1.873 32.037 30.300 -0.225 0.000 1.160 231 R HN 0.390 nan 8.270 nan 0.000 0.491 232 G N 2.165 111.175 108.800 0.350 0.000 2.457 232 G HA2 0.229 4.189 3.960 -0.000 0.000 0.316 232 G HA3 0.229 4.189 3.960 -0.000 0.000 0.316 232 G C -0.310 174.786 174.900 0.327 0.000 1.030 232 G CA -0.020 45.249 45.100 0.282 0.000 1.073 232 G HN 0.341 nan 8.290 nan 0.000 0.430 233 T N 1.198 115.894 114.554 0.236 0.000 2.888 233 T HA 0.526 4.876 4.350 -0.000 0.000 0.284 233 T C -1.021 173.814 174.700 0.226 0.000 1.017 233 T CA -0.266 61.978 62.100 0.240 0.000 1.022 233 T CB 1.594 70.574 68.868 0.187 0.000 1.013 233 T HN 0.708 nan 8.240 nan 0.000 0.465 234 H N 2.000 121.121 119.070 0.085 0.000 2.966 234 H HA 0.606 5.162 4.556 -0.000 0.000 0.347 234 H C -1.400 173.915 175.328 -0.023 0.000 1.048 234 H CA -0.696 55.382 56.048 0.050 0.000 1.295 234 H CB 0.780 30.604 29.762 0.103 0.000 1.744 234 H HN 0.449 nan 8.280 nan 0.000 0.513 235 M N 4.069 123.321 119.600 -0.580 0.000 2.518 235 M HA 0.402 4.882 4.480 -0.000 0.000 0.300 235 M C -1.147 174.826 176.300 -0.546 0.000 1.175 235 M CA -0.722 54.276 55.300 -0.504 0.000 0.890 235 M CB 3.005 35.421 32.600 -0.307 0.000 1.710 235 M HN 0.807 nan 8.290 nan 0.000 0.453 236 E N 0.920 120.899 120.200 -0.368 0.000 2.437 236 E HA 0.384 4.734 4.350 -0.000 0.000 0.280 236 E C -1.551 174.963 176.600 -0.143 0.000 1.044 236 E CA -1.057 55.216 56.400 -0.211 0.000 0.826 236 E CB 1.432 31.059 29.700 -0.122 0.000 1.358 236 E HN 0.527 nan 8.360 nan 0.000 0.459 237 N N 1.058 119.697 118.700 -0.101 0.000 2.437 237 N HA 0.314 5.054 4.740 -0.000 0.000 0.243 237 N C -0.940 174.503 175.510 -0.112 0.000 1.041 237 N CA -0.299 52.673 53.050 -0.130 0.000 0.940 237 N CB 1.097 39.525 38.487 -0.099 0.000 1.133 237 N HN 0.572 nan 8.380 nan 0.000 0.506 238 V N 1.381 121.192 119.914 -0.171 0.000 3.141 238 V HA 0.603 4.723 4.120 -0.000 0.000 0.312 238 V C -0.974 174.951 176.094 -0.282 0.000 1.157 238 V CA -0.770 61.472 62.300 -0.097 0.000 1.041 238 V CB 1.667 33.520 31.823 0.051 0.000 1.071 238 V HN 0.392 nan 8.190 nan 0.000 0.441 239 Y N 1.269 121.560 120.300 -0.016 0.000 2.617 239 Y HA 0.324 4.874 4.550 -0.000 0.000 0.328 239 Y C 1.257 177.272 175.900 0.191 0.000 0.946 239 Y CA -0.544 57.490 58.100 -0.109 0.000 1.241 239 Y CB 0.340 38.598 38.460 -0.336 0.000 1.226 239 Y HN 0.893 nan 8.280 nan 0.000 0.582 240 D N 0.153 120.770 120.400 0.362 0.000 2.162 240 D HA -0.110 4.530 4.640 -0.000 0.000 0.203 240 D C 0.335 176.973 176.300 0.564 0.000 0.967 240 D CA 0.823 55.074 54.000 0.418 0.000 0.840 240 D CB 0.340 41.363 40.800 0.372 0.000 0.972 240 D HN 0.284 nan 8.370 nan 0.000 0.482 241 F N 0.490 120.696 119.950 0.427 0.000 2.623 241 F HA 0.475 5.001 4.527 -0.000 0.000 0.323 241 F C -1.964 174.097 175.800 0.435 0.000 1.158 241 F CA -1.012 57.207 58.000 0.366 0.000 1.030 241 F CB 1.270 40.434 39.000 0.273 0.000 1.280 241 F HN -0.025 nan 8.300 nan 0.000 0.474 242 Y N 2.110 122.368 120.300 -0.069 0.000 2.713 242 Y HA 0.588 5.138 4.550 -0.000 0.000 0.335 242 Y C -1.820 173.994 175.900 -0.144 0.000 1.222 242 Y CA -1.506 56.601 58.100 0.012 0.000 1.061 242 Y CB 1.537 40.091 38.460 0.156 0.000 1.314 242 Y HN 0.439 nan 8.280 nan 0.000 0.453 243 K N 2.135 122.546 120.400 0.019 0.000 2.753 243 K HA 0.286 4.606 4.320 -0.000 0.000 0.185 243 K C -2.462 174.166 176.600 0.046 0.000 1.071 243 K CA -1.462 54.790 56.287 -0.057 0.000 0.999 243 K CB 1.303 33.800 32.500 -0.004 0.000 1.244 243 K HN 0.510 nan 8.250 nan 0.000 0.594 244 P HA 0.039 nan 4.420 nan 0.000 0.257 244 P C -0.523 176.803 177.300 0.044 0.000 1.241 244 P CA 0.039 63.212 63.100 0.121 0.000 0.816 244 P CB 0.399 32.242 31.700 0.239 0.000 1.150 245 N N 1.278 119.973 118.700 -0.008 0.000 2.602 245 N HA 0.156 4.896 4.740 -0.000 0.000 0.238 245 N C 1.246 176.726 175.510 -0.050 0.000 1.084 245 N CA -0.098 52.934 53.050 -0.031 0.000 0.952 245 N CB 0.869 39.327 38.487 -0.047 0.000 1.244 245 N HN 0.119 nan 8.380 nan 0.000 0.512 246 L N 0.436 121.638 121.223 -0.035 0.000 2.201 246 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 246 L C 1.856 178.667 176.870 -0.097 0.000 1.105 246 L CA 0.935 55.758 54.840 -0.029 0.000 0.775 246 L CB -0.113 41.944 42.059 -0.004 0.000 0.913 246 L HN 0.420 nan 8.230 nan 0.000 0.440 247 A N -1.485 121.233 122.820 -0.171 0.000 2.275 247 A HA 0.120 4.440 4.320 -0.000 0.000 0.212 247 A C 1.007 178.223 177.584 -0.613 0.000 1.201 247 A CA 0.108 51.941 52.037 -0.340 0.000 0.843 247 A CB 0.023 18.890 19.000 -0.221 0.000 0.873 247 A HN 0.235 nan 8.150 nan 0.000 0.492 248 S N -1.002 114.447 115.700 -0.419 0.000 2.501 248 S HA 0.360 4.830 4.470 -0.000 0.000 0.301 248 S C 0.527 174.992 174.600 -0.224 0.000 1.096 248 S CA -0.453 57.506 58.200 -0.402 0.000 1.063 248 S CB 1.395 64.487 63.200 -0.179 0.000 1.042 248 S HN 0.410 nan 8.310 nan 0.000 0.494 249 E N 1.934 122.072 120.200 -0.103 0.000 2.347 249 E HA -0.016 4.334 4.350 -0.000 0.000 0.196 249 E C -0.577 176.029 176.600 0.009 0.000 1.008 249 E CA 0.645 57.117 56.400 0.121 0.000 0.852 249 E CB 0.142 29.899 29.700 0.094 0.000 0.783 249 E HN 0.619 nan 8.360 nan 0.000 0.505 250 Y N 1.114 121.442 120.300 0.047 0.000 2.304 250 Y HA 0.211 4.761 4.550 -0.000 0.000 0.328 250 Y C -1.827 174.005 175.900 -0.113 0.000 1.123 250 Y CA -3.641 54.448 58.100 -0.019 0.000 1.218 250 Y CB 0.063 38.528 38.460 0.007 0.000 1.207 250 Y HN -0.000 nan 8.280 nan 0.000 0.495 251 P HA 0.304 nan 4.420 nan 0.000 0.278 251 P C -0.534 176.580 177.300 -0.309 0.000 1.258 251 P CA -0.334 62.538 63.100 -0.379 0.000 0.811 251 P CB 1.541 32.649 31.700 -0.987 0.000 1.063 252 I N 0.998 121.258 120.570 -0.516 0.000 2.371 252 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 252 I C 0.435 176.329 176.117 -0.371 0.000 1.028 252 I CA -0.495 60.529 61.300 -0.460 0.000 1.345 252 I CB 1.354 38.924 38.000 -0.718 0.000 1.407 252 I HN 0.054 nan 8.210 nan 0.000 0.501 253 V N 6.533 126.400 119.914 -0.079 0.000 2.686 253 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 253 V C -1.160 175.027 176.094 0.155 0.000 1.065 253 V CA -0.476 61.899 62.300 0.125 0.000 0.894 253 V CB 2.202 34.196 31.823 0.285 0.000 1.004 253 V HN 0.709 nan 8.190 nan 0.000 0.424 254 D N 4.543 125.078 120.400 0.225 0.000 2.443 254 D HA 0.397 5.037 4.640 -0.000 0.000 0.221 254 D C 1.097 177.507 176.300 0.184 0.000 1.097 254 D CA 0.567 54.676 54.000 0.182 0.000 0.865 254 D CB 1.555 42.475 40.800 0.199 0.000 1.034 254 D HN 0.691 nan 8.370 nan 0.000 0.511 255 G N 4.137 113.017 108.800 0.132 0.000 2.491 255 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 255 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 255 G C 1.356 176.330 174.900 0.124 0.000 1.180 255 G CA 1.029 46.202 45.100 0.120 0.000 0.774 255 G HN 0.544 nan 8.290 nan 0.000 0.562 256 K N -0.275 120.182 120.400 0.096 0.000 2.057 256 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 256 K C 2.444 179.111 176.600 0.111 0.000 1.049 256 K CA 1.316 57.655 56.287 0.087 0.000 0.931 256 K CB -0.290 32.249 32.500 0.065 0.000 0.714 256 K HN 0.247 nan 8.250 nan 0.000 0.440 257 L N 1.342 122.647 121.223 0.136 0.000 2.046 257 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 257 L C 2.324 179.311 176.870 0.194 0.000 1.077 257 L CA 2.303 57.239 54.840 0.160 0.000 0.747 257 L CB -0.743 41.424 42.059 0.180 0.000 0.896 257 L HN 0.395 nan 8.230 nan 0.000 0.432 258 S N -0.819 115.018 115.700 0.229 0.000 2.382 258 S HA -0.202 4.268 4.470 -0.000 0.000 0.228 258 S C 2.066 176.780 174.600 0.190 0.000 1.027 258 S CA 1.621 59.984 58.200 0.272 0.000 0.991 258 S CB -0.988 62.410 63.200 0.330 0.000 0.823 258 S HN 0.513 nan 8.310 nan 0.000 0.469 259 I N 1.660 122.312 120.570 0.137 0.000 2.252 259 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 259 I C 3.021 179.180 176.117 0.070 0.000 1.102 259 I CA 1.392 62.729 61.300 0.062 0.000 1.385 259 I CB -0.435 37.599 38.000 0.055 0.000 1.064 259 I HN 0.367 nan 8.210 nan 0.000 0.414 260 Q N -0.232 119.624 119.800 0.093 0.000 2.124 260 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 260 Q C 2.504 178.576 176.000 0.120 0.000 0.977 260 Q CA 1.734 57.593 55.803 0.094 0.000 0.850 260 Q CB -0.249 28.546 28.738 0.095 0.000 0.901 260 Q HN 0.568 nan 8.270 nan 0.000 0.429 261 C N -0.440 118.955 119.300 0.158 0.000 2.446 261 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 261 C C 2.419 177.487 174.990 0.130 0.000 1.275 261 C CA 0.377 59.522 59.018 0.212 0.000 1.727 261 C CB -0.937 26.995 27.740 0.320 0.000 2.010 261 C HN 0.557 nan 8.230 nan 0.000 0.486 262 Y N 1.437 121.558 120.300 -0.298 0.000 2.128 262 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 262 Y C 2.235 178.032 175.900 -0.171 0.000 1.154 262 Y CA 1.629 59.315 58.100 -0.689 0.000 1.149 262 Y CB -0.267 37.838 38.460 -0.591 0.000 0.976 262 Y HN 0.211 nan 8.280 nan 0.000 0.505 263 L N -0.037 121.311 121.223 0.210 0.000 2.109 263 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 263 L C 2.694 179.599 176.870 0.058 0.000 1.086 263 L CA 1.516 56.436 54.840 0.134 0.000 0.760 263 L CB -0.535 41.574 42.059 0.084 0.000 0.910 263 L HN 0.177 nan 8.230 nan 0.000 0.437 264 R N 0.608 121.155 120.500 0.079 0.000 2.075 264 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 264 R C 2.339 178.662 176.300 0.038 0.000 1.126 264 R CA 1.413 57.546 56.100 0.056 0.000 0.963 264 R CB -0.243 30.108 30.300 0.084 0.000 0.858 264 R HN 0.298 nan 8.270 nan 0.000 0.435 265 A N 1.236 124.154 122.820 0.163 0.000 1.933 265 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 265 A C 2.045 179.750 177.584 0.202 0.000 1.175 265 A CA 1.288 53.507 52.037 0.303 0.000 0.628 265 A CB -0.618 18.755 19.000 0.621 0.000 0.814 265 A HN 0.405 nan 8.150 nan 0.000 0.444 266 L N 0.303 121.494 121.223 -0.053 0.000 2.012 266 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 266 L C 1.732 178.517 176.870 -0.142 0.000 1.073 266 L CA 2.595 57.151 54.840 -0.474 0.000 0.748 266 L CB -0.744 40.956 42.059 -0.600 0.000 0.891 266 L HN 0.366 nan 8.230 nan 0.000 0.431 267 D N -0.551 119.813 120.400 -0.060 0.000 2.106 267 D HA -0.194 4.446 4.640 -0.000 0.000 0.191 267 D C 2.269 178.562 176.300 -0.010 0.000 0.997 267 D CA 1.235 55.231 54.000 -0.006 0.000 0.834 267 D CB -0.222 40.571 40.800 -0.011 0.000 0.956 267 D HN 0.299 nan 8.370 nan 0.000 0.448 268 R N 0.269 120.727 120.500 -0.071 0.000 2.075 268 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 268 R C 2.594 178.905 176.300 0.017 0.000 1.126 268 R CA 0.548 56.577 56.100 -0.119 0.000 0.963 268 R CB -1.196 28.833 30.300 -0.452 0.000 0.858 268 R HN 0.297 nan 8.270 nan 0.000 0.435 269 C N -0.149 119.234 119.300 0.138 0.000 2.446 269 C HA -0.090 4.370 4.460 -0.000 0.000 0.277 269 C C 2.547 177.617 174.990 0.134 0.000 1.275 269 C CA 0.062 59.239 59.018 0.265 0.000 1.727 269 C CB -1.122 26.947 27.740 0.548 0.000 2.010 269 C HN 0.427 nan 8.230 nan 0.000 0.486 270 Y N 2.000 122.189 120.300 -0.183 0.000 2.181 270 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 270 Y C 2.592 178.322 175.900 -0.283 0.000 1.146 270 Y CA 1.982 59.778 58.100 -0.507 0.000 1.164 270 Y CB -0.893 37.308 38.460 -0.433 0.000 0.982 270 Y HN 0.272 nan 8.280 nan 0.000 0.515 271 T N -1.165 113.291 114.554 -0.163 0.000 2.746 271 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 271 T C 2.224 176.812 174.700 -0.186 0.000 1.039 271 T CA 1.692 63.667 62.100 -0.207 0.000 1.142 271 T CB -0.614 68.187 68.868 -0.112 0.000 0.866 271 T HN 0.385 nan 8.240 nan 0.000 0.444 272 S N -0.107 115.537 115.700 -0.093 0.000 2.356 272 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 272 S C 1.872 176.406 174.600 -0.110 0.000 1.032 272 S CA 1.239 59.401 58.200 -0.063 0.000 1.005 272 S CB -0.561 62.658 63.200 0.032 0.000 0.867 272 S HN 0.615 nan 8.310 nan 0.000 0.449 273 Y N 1.949 122.103 120.300 -0.244 0.000 2.145 273 Y HA -0.084 4.466 4.550 -0.000 0.000 0.286 273 Y C 2.425 178.007 175.900 -0.530 0.000 1.145 273 Y CA 1.945 59.849 58.100 -0.327 0.000 1.148 273 Y CB -0.290 37.962 38.460 -0.347 0.000 0.981 273 Y HN 0.189 nan 8.280 nan 0.000 0.507 274 R N 0.331 120.537 120.500 -0.489 0.000 2.091 274 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 274 R C 2.416 178.438 176.300 -0.464 0.000 1.136 274 R CA 1.797 57.545 56.100 -0.587 0.000 0.959 274 R CB -0.326 29.657 30.300 -0.529 0.000 0.856 274 R HN 0.324 nan 8.270 nan 0.000 0.437 275 K N 1.408 121.603 120.400 -0.341 0.000 2.057 275 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 275 K C 1.742 178.164 176.600 -0.296 0.000 1.049 275 K CA 1.580 57.714 56.287 -0.256 0.000 0.931 275 K CB 0.096 32.489 32.500 -0.179 0.000 0.714 275 K HN 0.058 nan 8.250 nan 0.000 0.440 276 K N 0.519 120.705 120.400 -0.356 0.000 2.057 276 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 276 K C 2.197 178.511 176.600 -0.476 0.000 1.050 276 K CA 1.402 57.473 56.287 -0.361 0.000 0.935 276 K CB -0.154 32.144 32.500 -0.338 0.000 0.715 276 K HN 0.249 nan 8.250 nan 0.000 0.439 277 I N 1.248 121.376 120.570 -0.738 0.000 2.439 277 I HA -0.274 3.896 4.170 -0.000 0.000 0.251 277 I C 2.013 177.599 176.117 -0.885 0.000 1.139 277 I CA 1.228 61.988 61.300 -0.900 0.000 1.438 277 I CB 0.124 37.383 38.000 -1.237 0.000 1.085 277 I HN 0.230 nan 8.210 nan 0.000 0.427 278 Q N 0.315 119.736 119.800 -0.632 0.000 2.167 278 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 278 Q C 1.834 177.759 176.000 -0.126 0.000 0.970 278 Q CA 1.507 57.129 55.803 -0.302 0.000 0.855 278 Q CB -0.059 28.582 28.738 -0.161 0.000 0.911 278 Q HN 0.497 nan 8.270 nan 0.000 0.438 279 N N 0.559 119.154 118.700 -0.175 0.000 2.142 279 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 279 N C 1.593 177.070 175.510 -0.055 0.000 1.023 279 N CA 1.141 54.134 53.050 -0.095 0.000 0.852 279 N CB -0.114 38.305 38.487 -0.113 0.000 0.998 279 N HN 0.312 nan 8.380 nan 0.000 0.424 280 Q N -0.820 118.915 119.800 -0.109 0.000 2.084 280 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 280 Q C 1.693 177.787 176.000 0.158 0.000 0.978 280 Q CA 1.034 56.825 55.803 -0.020 0.000 0.844 280 Q CB -0.173 28.519 28.738 -0.077 0.000 0.898 280 Q HN 0.454 nan 8.270 nan 0.000 0.426 281 W N 1.466 122.751 121.300 -0.026 0.000 2.358 281 W HA -0.113 4.547 4.660 -0.000 0.000 0.303 281 W C 1.978 178.493 176.519 -0.007 0.000 1.208 281 W CA 0.751 58.093 57.345 -0.004 0.000 1.274 281 W CB -0.572 28.897 29.460 0.015 0.000 1.138 281 W HN 0.145 nan 8.180 nan 0.000 0.515 282 K N -0.173 120.358 120.400 0.219 0.000 2.063 282 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 282 K C 2.508 179.154 176.600 0.077 0.000 1.048 282 K CA 2.408 58.764 56.287 0.115 0.000 0.928 282 K CB -0.712 31.829 32.500 0.067 0.000 0.713 282 K HN 0.213 nan 8.250 nan 0.000 0.442 283 Q N 0.598 120.438 119.800 0.067 0.000 2.226 283 Q HA -0.020 4.320 4.340 -0.000 0.000 0.204 283 Q C 1.886 177.916 176.000 0.050 0.000 0.975 283 Q CA 1.762 57.592 55.803 0.044 0.000 0.866 283 Q CB -0.640 28.117 28.738 0.031 0.000 0.915 283 Q HN 0.480 nan 8.270 nan 0.000 0.440 284 A N -1.107 121.759 122.820 0.078 0.000 2.337 284 A HA 0.514 4.834 4.320 -0.000 0.000 0.227 284 A C 1.747 179.352 177.584 0.036 0.000 1.259 284 A CA 0.938 53.011 52.037 0.060 0.000 0.870 284 A CB -0.463 18.587 19.000 0.084 0.000 0.927 284 A HN 1.724 nan 8.150 nan 0.000 0.497 285 G N -1.025 107.799 108.800 0.040 0.000 2.142 285 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.225 285 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.225 285 G C 0.112 175.019 174.900 0.012 0.000 1.015 285 G CA 0.413 45.525 45.100 0.021 0.000 0.716 285 G HN 1.354 nan 8.290 nan 0.000 0.508 286 S N -0.891 114.831 115.700 0.036 0.000 2.561 286 S HA 0.606 5.076 4.470 -0.000 0.000 0.303 286 S C 0.218 174.874 174.600 0.093 0.000 1.110 286 S CA -0.067 58.144 58.200 0.017 0.000 1.034 286 S CB 1.409 64.556 63.200 -0.088 0.000 1.010 286 S HN 0.098 nan 8.310 nan 0.000 0.482 287 D N 2.127 122.567 120.400 0.067 0.000 2.349 287 D HA 0.131 4.771 4.640 -0.000 0.000 0.214 287 D C 0.760 177.133 176.300 0.120 0.000 1.063 287 D CA -0.052 54.002 54.000 0.089 0.000 0.847 287 D CB 0.272 41.102 40.800 0.050 0.000 0.933 287 D HN 0.640 nan 8.370 nan 0.000 0.513 288 R N 1.225 121.801 120.500 0.127 0.000 2.643 288 R HA 0.300 4.640 4.340 -0.000 0.000 0.270 288 R C -2.460 174.023 176.300 0.305 0.000 1.061 288 R CA -1.152 55.035 56.100 0.145 0.000 1.107 288 R CB -0.450 29.871 30.300 0.036 0.000 0.999 288 R HN -0.134 nan 8.270 nan 0.000 0.460 289 P HA 0.074 nan 4.420 nan 0.000 0.282 289 P C -1.177 176.354 177.300 0.385 0.000 1.249 289 P CA -0.521 62.730 63.100 0.252 0.000 0.806 289 P CB 0.525 32.309 31.700 0.140 0.000 0.984 290 F N 2.724 122.779 119.950 0.176 0.000 2.427 290 F HA 0.411 4.938 4.527 -0.000 0.000 0.352 290 F C 0.519 176.403 175.800 0.140 0.000 1.100 290 F CA 0.686 58.788 58.000 0.171 0.000 1.191 290 F CB 0.727 39.623 39.000 -0.173 0.000 1.128 290 F HN 0.439 nan 8.300 nan 0.000 0.533 291 T N 2.795 117.199 114.554 -0.250 0.000 2.804 291 T HA 0.340 4.690 4.350 -0.000 0.000 0.290 291 T C 0.855 175.470 174.700 -0.142 0.000 1.099 291 T CA -0.889 61.217 62.100 0.009 0.000 1.011 291 T CB 0.960 69.898 68.868 0.117 0.000 1.291 291 T HN 0.617 nan 8.240 nan 0.000 0.523 292 L N 0.451 121.760 121.223 0.144 0.000 2.261 292 L HA -0.075 4.265 4.340 -0.000 0.000 0.216 292 L C 1.841 178.714 176.870 0.006 0.000 1.114 292 L CA 1.283 56.196 54.840 0.123 0.000 0.777 292 L CB -0.595 41.562 42.059 0.165 0.000 0.910 292 L HN 0.679 nan 8.230 nan 0.000 0.440 293 D N -0.102 120.278 120.400 -0.033 0.000 2.263 293 D HA -0.153 4.487 4.640 -0.000 0.000 0.208 293 D C 1.391 177.635 176.300 -0.093 0.000 0.971 293 D CA 0.993 54.962 54.000 -0.051 0.000 0.867 293 D CB -0.099 40.679 40.800 -0.036 0.000 0.929 293 D HN 0.372 nan 8.370 nan 0.000 0.492 294 D N -0.167 120.104 120.400 -0.215 0.000 2.339 294 D HA 0.062 4.702 4.640 -0.000 0.000 0.217 294 D C 0.363 176.668 176.300 0.008 0.000 1.050 294 D CA 0.114 54.007 54.000 -0.178 0.000 0.856 294 D CB 0.969 41.508 40.800 -0.436 0.000 0.922 294 D HN 0.212 nan 8.370 nan 0.000 0.518 295 L N 0.914 122.153 121.223 0.027 0.000 2.322 295 L HA 0.221 4.561 4.340 -0.000 0.000 0.281 295 L C 1.016 177.870 176.870 -0.028 0.000 1.014 295 L CA -0.530 54.383 54.840 0.122 0.000 0.815 295 L CB 2.259 44.442 42.059 0.207 0.000 1.247 295 L HN -0.385 nan 8.230 nan 0.000 0.421 296 Q N 1.688 121.420 119.800 -0.113 0.000 2.250 296 Q HA 0.136 4.476 4.340 -0.000 0.000 0.200 296 Q C -1.069 174.424 176.000 -0.845 0.000 0.941 296 Q CA 1.242 56.759 55.803 -0.476 0.000 0.872 296 Q CB 0.312 28.719 28.738 -0.551 0.000 0.965 296 Q HN 0.464 nan 8.270 nan 0.000 0.480 297 Y N -1.466 118.845 120.300 0.018 0.000 2.553 297 Y HA 0.610 5.160 4.550 -0.000 0.000 0.347 297 Y C -0.882 175.013 175.900 -0.008 0.000 1.019 297 Y CA -1.422 56.675 58.100 -0.004 0.000 1.032 297 Y CB 1.635 40.077 38.460 -0.031 0.000 1.284 297 Y HN -0.149 nan 8.280 nan 0.000 0.466 298 M N 4.642 124.317 119.600 0.124 0.000 2.206 298 M HA 0.609 5.089 4.480 -0.000 0.000 0.272 298 M C -1.958 174.283 176.300 -0.097 0.000 1.012 298 M CA -0.675 54.592 55.300 -0.055 0.000 0.986 298 M CB 1.221 33.823 32.600 0.004 0.000 1.740 298 M HN 0.547 nan 8.290 nan 0.000 0.472 299 I N 0.402 120.797 120.570 -0.291 0.000 2.693 299 I HA 0.839 5.009 4.170 -0.000 0.000 0.303 299 I C -1.641 174.267 176.117 -0.349 0.000 1.025 299 I CA -0.688 60.526 61.300 -0.144 0.000 1.086 299 I CB 2.107 40.061 38.000 -0.077 0.000 1.268 299 I HN 0.632 nan 8.210 nan 0.000 0.440 300 F N 0.996 120.955 119.950 0.015 0.000 2.613 300 F HA 0.351 4.878 4.527 -0.000 0.000 0.310 300 F C -0.025 175.844 175.800 0.114 0.000 1.085 300 F CA -0.883 57.195 58.000 0.130 0.000 0.945 300 F CB 1.385 40.525 39.000 0.232 0.000 1.298 300 F HN 0.630 nan 8.300 nan 0.000 0.455 301 H N 0.855 120.099 119.070 0.290 0.000 3.125 301 H HA 0.192 4.748 4.556 -0.000 0.000 0.310 301 H C -0.755 174.772 175.328 0.331 0.000 0.980 301 H CA 0.539 56.737 56.048 0.250 0.000 1.422 301 H CB 0.495 30.403 29.762 0.243 0.000 1.432 301 H HN 0.504 nan 8.280 nan 0.000 0.577 302 T N 9.668 123.948 114.554 -0.457 0.000 3.060 302 T HA 0.156 4.506 4.350 -0.000 0.000 0.367 302 T C -1.857 172.602 174.700 -0.402 0.000 1.229 302 T CA -1.094 60.806 62.100 -0.333 0.000 1.104 302 T CB 1.256 70.053 68.868 -0.118 0.000 1.083 302 T HN 0.623 nan 8.240 nan 0.000 0.524 303 P HA 0.075 nan 4.420 nan 0.000 0.222 303 P C -0.004 177.389 177.300 0.155 0.000 1.153 303 P CA 0.701 63.770 63.100 -0.051 0.000 0.798 303 P CB -0.012 31.722 31.700 0.056 0.000 0.796 304 F N -5.646 114.229 119.950 -0.125 0.000 2.744 304 F HA 0.365 4.892 4.527 -0.000 0.000 0.311 304 F C 0.799 176.525 175.800 -0.124 0.000 1.144 304 F CA -1.202 56.731 58.000 -0.111 0.000 0.938 304 F CB -0.482 38.457 39.000 -0.102 0.000 1.292 304 F HN -0.428 nan 8.300 nan 0.000 0.444 305 C N 0.457 119.769 119.300 0.020 0.000 2.440 305 C HA -0.073 4.387 4.460 -0.000 0.000 0.278 305 C C 2.711 177.635 174.990 -0.111 0.000 1.295 305 C CA 1.511 60.498 59.018 -0.052 0.000 1.738 305 C CB -0.842 26.902 27.740 0.007 0.000 1.987 305 C HN 0.965 nan 8.230 nan 0.000 0.492 306 K N 1.147 121.544 120.400 -0.006 0.000 2.097 306 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 306 K C 1.923 178.349 176.600 -0.291 0.000 1.049 306 K CA 1.534 57.785 56.287 -0.060 0.000 0.933 306 K CB -0.513 32.077 32.500 0.151 0.000 0.717 306 K HN 0.357 nan 8.250 nan 0.000 0.442 307 M N -0.279 118.898 119.600 -0.705 0.000 2.106 307 M HA -0.133 4.347 4.480 -0.000 0.000 0.259 307 M C 1.567 177.474 176.300 -0.656 0.000 1.068 307 M CA 1.587 56.343 55.300 -0.906 0.000 1.100 307 M CB -0.180 31.474 32.600 -1.578 0.000 1.351 307 M HN 0.020 nan 8.290 nan 0.000 0.404 308 V N -0.231 119.347 119.914 -0.559 0.000 2.453 308 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 308 V C 2.391 178.221 176.094 -0.440 0.000 1.048 308 V CA 2.017 63.986 62.300 -0.552 0.000 1.049 308 V CB -0.874 30.749 31.823 -0.334 0.000 0.672 308 V HN 0.626 nan 8.190 nan 0.000 0.457 309 Q N 0.187 119.779 119.800 -0.345 0.000 2.096 309 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 309 Q C 2.289 178.033 176.000 -0.427 0.000 0.982 309 Q CA 1.765 57.213 55.803 -0.592 0.000 0.850 309 Q CB -0.035 28.182 28.738 -0.867 0.000 0.901 309 Q HN 0.581 nan 8.270 nan 0.000 0.422 310 K N -0.447 119.735 120.400 -0.364 0.000 2.148 310 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 310 K C 2.189 178.640 176.600 -0.249 0.000 1.050 310 K CA 1.262 57.381 56.287 -0.280 0.000 0.942 310 K CB 0.083 32.437 32.500 -0.244 0.000 0.724 310 K HN 0.079 nan 8.250 nan 0.000 0.446 311 S N 1.351 116.848 115.700 -0.338 0.000 2.387 311 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 311 S C 1.779 176.274 174.600 -0.175 0.000 1.026 311 S CA 0.683 58.714 58.200 -0.281 0.000 0.972 311 S CB -0.128 62.806 63.200 -0.443 0.000 0.814 311 S HN 0.154 nan 8.310 nan 0.000 0.477 312 L N 2.045 123.139 121.223 -0.215 0.000 2.083 312 L HA 0.029 4.368 4.340 -0.000 0.000 0.209 312 L C 2.352 179.250 176.870 0.047 0.000 1.083 312 L CA 1.679 56.569 54.840 0.083 0.000 0.752 312 L CB -0.965 41.224 42.059 0.217 0.000 0.899 312 L HN 0.255 nan 8.230 nan 0.000 0.433 313 A N -0.471 122.324 122.820 -0.042 0.000 1.940 313 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 313 A C 2.430 180.018 177.584 0.008 0.000 1.176 313 A CA 1.837 53.851 52.037 -0.038 0.000 0.631 313 A CB -0.598 18.327 19.000 -0.125 0.000 0.814 313 A HN 0.461 nan 8.150 nan 0.000 0.446 314 R N 0.012 120.506 120.500 -0.009 0.000 2.096 314 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 314 R C 1.852 178.196 176.300 0.074 0.000 1.127 314 R CA 1.505 57.635 56.100 0.049 0.000 0.968 314 R CB -0.753 29.550 30.300 0.006 0.000 0.861 314 R HN 0.517 nan 8.270 nan 0.000 0.440 315 L N -0.254 120.970 121.223 0.001 0.000 2.046 315 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 315 L C 2.630 179.529 176.870 0.048 0.000 1.077 315 L CA 1.657 56.425 54.840 -0.119 0.000 0.747 315 L CB -0.406 41.506 42.059 -0.246 0.000 0.896 315 L HN 0.344 nan 8.230 nan 0.000 0.432 316 M N -1.059 118.616 119.600 0.126 0.000 2.159 316 M HA -0.259 4.221 4.480 -0.000 0.000 0.263 316 M C 2.220 178.674 176.300 0.257 0.000 1.063 316 M CA 1.785 57.214 55.300 0.214 0.000 1.110 316 M CB -0.089 32.639 32.600 0.213 0.000 1.374 316 M HN 0.172 nan 8.290 nan 0.000 0.411 317 F N 1.203 121.189 119.950 0.059 0.000 2.186 317 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 317 F C 2.199 178.069 175.800 0.116 0.000 1.090 317 F CA 1.325 59.376 58.000 0.086 0.000 1.307 317 F CB -0.805 38.215 39.000 0.035 0.000 1.019 317 F HN 0.292 nan 8.300 nan 0.000 0.489 318 N N 0.668 119.431 118.700 0.105 0.000 2.120 318 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 318 N C 1.450 176.988 175.510 0.046 0.000 1.024 318 N CA 1.654 54.729 53.050 0.042 0.000 0.852 318 N CB -0.363 38.245 38.487 0.201 0.000 1.003 318 N HN 0.245 nan 8.380 nan 0.000 0.424 319 D N 0.060 120.553 120.400 0.156 0.000 2.104 319 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 319 D C 1.707 177.941 176.300 -0.110 0.000 0.994 319 D CA 0.664 54.740 54.000 0.127 0.000 0.830 319 D CB -0.618 40.342 40.800 0.266 0.000 0.959 319 D HN 0.278 nan 8.370 nan 0.000 0.452 320 F N 1.334 121.002 119.950 -0.470 0.000 2.069 320 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 320 F C 2.106 177.650 175.800 -0.427 0.000 1.113 320 F CA 1.269 58.806 58.000 -0.772 0.000 1.214 320 F CB -0.482 38.138 39.000 -0.633 0.000 0.978 320 F HN -0.100 nan 8.300 nan 0.000 0.474 321 L N -0.540 120.316 121.223 -0.612 0.000 2.201 321 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 321 L C 2.241 178.861 176.870 -0.418 0.000 1.105 321 L CA 1.217 55.664 54.840 -0.654 0.000 0.775 321 L CB -0.720 40.994 42.059 -0.575 0.000 0.913 321 L HN 0.118 nan 8.230 nan 0.000 0.440 322 S N -0.466 115.063 115.700 -0.285 0.000 2.527 322 S HA 0.189 4.659 4.470 -0.000 0.000 0.222 322 S C 0.969 175.482 174.600 -0.146 0.000 0.985 322 S CA 0.160 58.256 58.200 -0.174 0.000 0.921 322 S CB -0.014 63.126 63.200 -0.100 0.000 0.772 322 S HN 0.365 nan 8.310 nan 0.000 0.529 323 A N 2.233 124.939 122.820 -0.191 0.000 2.332 323 A HA 0.574 4.894 4.320 -0.000 0.000 0.258 323 A C 0.717 178.240 177.584 -0.102 0.000 1.087 323 A CA -0.528 51.454 52.037 -0.091 0.000 0.802 323 A CB 0.186 19.173 19.000 -0.021 0.000 1.042 323 A HN 0.405 nan 8.150 nan 0.000 0.489 324 S N 0.617 116.301 115.700 -0.026 0.000 2.584 324 S HA 0.154 4.624 4.470 -0.000 0.000 0.270 324 S C 1.406 175.995 174.600 -0.020 0.000 1.346 324 S CA 0.202 58.388 58.200 -0.024 0.000 1.018 324 S CB 0.899 64.103 63.200 0.007 0.000 0.899 324 S HN 1.715 nan 8.310 nan 0.000 0.542 325 S N 1.284 116.969 115.700 -0.024 0.000 2.374 325 S HA -0.230 4.240 4.470 -0.000 0.000 0.227 325 S C 1.252 175.875 174.600 0.040 0.000 1.037 325 S CA 1.946 60.143 58.200 -0.005 0.000 1.024 325 S CB -1.048 62.149 63.200 -0.005 0.000 0.861 325 S HN 0.788 nan 8.310 nan 0.000 0.456 326 D N 0.820 121.244 120.400 0.039 0.000 2.097 326 D HA -0.042 4.598 4.640 -0.000 0.000 0.195 326 D C 2.199 178.551 176.300 0.087 0.000 0.989 326 D CA 1.837 55.869 54.000 0.054 0.000 0.827 326 D CB -1.045 39.778 40.800 0.038 0.000 0.966 326 D HN 0.499 nan 8.370 nan 0.000 0.456 327 T N 1.025 115.640 114.554 0.101 0.000 2.788 327 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 327 T C 1.957 176.833 174.700 0.293 0.000 1.044 327 T CA 0.996 63.194 62.100 0.164 0.000 1.139 327 T CB -0.150 68.823 68.868 0.176 0.000 0.867 327 T HN 0.252 nan 8.240 nan 0.000 0.454 328 Q N 0.603 120.567 119.800 0.274 0.000 2.030 328 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 328 Q C 2.849 179.083 176.000 0.390 0.000 0.986 328 Q CA 1.978 58.036 55.803 0.426 0.000 0.843 328 Q CB -0.544 28.313 28.738 0.199 0.000 0.904 328 Q HN 0.724 nan 8.270 nan 0.000 0.420 329 T N -1.389 113.299 114.554 0.224 0.000 2.821 329 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 329 T C 2.128 176.903 174.700 0.125 0.000 1.046 329 T CA 1.471 63.667 62.100 0.160 0.000 1.139 329 T CB -0.364 68.564 68.868 0.101 0.000 0.871 329 T HN 0.335 nan 8.240 nan 0.000 0.454 330 S N 1.838 117.604 115.700 0.110 0.000 2.357 330 S HA 0.157 4.627 4.470 -0.000 0.000 0.221 330 S C 1.995 176.602 174.600 0.011 0.000 1.031 330 S CA 0.710 58.943 58.200 0.055 0.000 0.982 330 S CB -0.651 62.574 63.200 0.041 0.000 0.853 330 S HN 0.527 nan 8.310 nan 0.000 0.458 331 L N -1.499 119.716 121.223 -0.013 0.000 2.609 331 L HA 0.360 4.699 4.340 -0.000 0.000 0.230 331 L C 0.207 176.831 176.870 -0.410 0.000 1.087 331 L CA 0.293 54.972 54.840 -0.268 0.000 0.874 331 L CB 0.147 41.923 42.059 -0.471 0.000 1.114 331 L HN 0.272 nan 8.230 nan 0.000 0.488 332 Y N -0.476 119.898 120.300 0.124 0.000 2.578 332 Y HA 0.251 4.801 4.550 -0.000 0.000 0.317 332 Y C 1.731 177.655 175.900 0.039 0.000 0.940 332 Y CA -0.287 57.866 58.100 0.088 0.000 1.174 332 Y CB -0.227 38.358 38.460 0.209 0.000 1.198 332 Y HN -0.063 nan 8.280 nan 0.000 0.597 333 K N 0.355 120.831 120.400 0.126 0.000 2.113 333 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 333 K C 2.149 178.784 176.600 0.059 0.000 1.047 333 K CA 1.688 58.029 56.287 0.090 0.000 0.928 333 K CB -1.338 31.193 32.500 0.051 0.000 0.716 333 K HN 0.652 nan 8.250 nan 0.000 0.446 334 G N -0.105 108.723 108.800 0.047 0.000 2.679 334 G HA2 0.110 4.070 3.960 -0.000 0.000 0.212 334 G HA3 0.110 4.070 3.960 -0.000 0.000 0.212 334 G C 1.374 176.309 174.900 0.059 0.000 1.137 334 G CA 0.729 45.855 45.100 0.043 0.000 0.787 334 G HN 0.438 nan 8.290 nan 0.000 0.534 335 L N -0.589 120.612 121.223 -0.038 0.000 2.664 335 L HA 0.245 4.585 4.340 -0.000 0.000 0.233 335 L C 2.194 178.984 176.870 -0.132 0.000 1.113 335 L CA 0.001 54.731 54.840 -0.183 0.000 0.896 335 L CB 0.084 41.620 42.059 -0.871 0.000 1.163 335 L HN 0.173 nan 8.230 nan 0.000 0.497 336 E N 1.378 121.593 120.200 0.025 0.000 2.160 336 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 336 E C 2.181 178.820 176.600 0.065 0.000 0.991 336 E CA 1.220 57.740 56.400 0.200 0.000 0.810 336 E CB -0.007 29.785 29.700 0.152 0.000 0.742 336 E HN 0.496 nan 8.360 nan 0.000 0.466 337 A N 0.287 122.982 122.820 -0.208 0.000 2.178 337 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 337 A C 1.154 178.397 177.584 -0.569 0.000 1.157 337 A CA 0.952 52.692 52.037 -0.496 0.000 0.689 337 A CB -0.321 18.181 19.000 -0.830 0.000 0.787 337 A HN 0.184 nan 8.150 nan 0.000 0.465 338 F N -1.537 118.503 119.950 0.151 0.000 2.698 338 F HA 0.304 4.831 4.527 -0.000 0.000 0.304 338 F C 1.970 178.028 175.800 0.430 0.000 1.108 338 F CA -0.298 57.836 58.000 0.224 0.000 1.263 338 F CB -0.267 38.816 39.000 0.138 0.000 1.013 338 F HN 0.141 nan 8.300 nan 0.000 0.532 339 G N 0.393 109.500 108.800 0.513 0.000 2.501 339 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 339 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 339 G C 1.774 176.787 174.900 0.189 0.000 1.114 339 G CA 0.923 46.259 45.100 0.394 0.000 0.757 339 G HN 0.509 nan 8.290 nan 0.000 0.559 340 G N -0.430 108.488 108.800 0.197 0.000 3.189 340 G HA2 0.442 4.402 3.960 -0.000 0.000 0.225 340 G HA3 0.442 4.402 3.960 -0.000 0.000 0.225 340 G C 0.539 175.535 174.900 0.160 0.000 1.159 340 G CA -0.444 44.732 45.100 0.126 0.000 0.763 340 G HN 0.326 nan 8.290 nan 0.000 0.549 341 L N -0.076 121.312 121.223 0.275 0.000 2.448 341 L HA 0.530 4.870 4.340 -0.000 0.000 0.258 341 L C 0.111 177.144 176.870 0.270 0.000 1.104 341 L CA -1.010 54.006 54.840 0.293 0.000 0.800 341 L CB 1.025 43.312 42.059 0.381 0.000 1.241 341 L HN -0.139 nan 8.230 nan 0.000 0.472 342 K N 0.535 121.083 120.400 0.247 0.000 2.166 342 K HA 0.367 4.687 4.320 -0.000 0.000 0.245 342 K C 0.858 177.647 176.600 0.315 0.000 0.967 342 K CA -0.699 55.699 56.287 0.185 0.000 0.863 342 K CB 1.727 34.293 32.500 0.110 0.000 1.107 342 K HN 0.462 nan 8.250 nan 0.000 0.436 343 L N 1.112 122.460 121.223 0.209 0.000 2.013 343 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 343 L C 1.626 178.619 176.870 0.204 0.000 1.073 343 L CA 1.622 56.625 54.840 0.271 0.000 0.753 343 L CB -0.269 41.861 42.059 0.118 0.000 0.890 343 L HN 0.608 nan 8.230 nan 0.000 0.432 344 E N -0.053 120.222 120.200 0.124 0.000 2.267 344 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 344 E C 1.600 178.235 176.600 0.058 0.000 0.998 344 E CA 1.013 57.460 56.400 0.079 0.000 0.830 344 E CB -0.262 29.477 29.700 0.065 0.000 0.751 344 E HN 0.433 nan 8.360 nan 0.000 0.491 345 D N -0.568 119.878 120.400 0.076 0.000 2.348 345 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 345 D C 1.789 178.039 176.300 -0.084 0.000 0.970 345 D CA 1.394 55.404 54.000 0.016 0.000 0.889 345 D CB -0.404 40.426 40.800 0.050 0.000 0.912 345 D HN 0.359 nan 8.370 nan 0.000 0.524 346 T N -3.189 111.300 114.554 -0.109 0.000 2.977 346 T HA -0.219 4.131 4.350 -0.000 0.000 0.271 346 T C 2.163 176.776 174.700 -0.145 0.000 1.105 346 T CA 1.515 63.485 62.100 -0.216 0.000 1.116 346 T CB -1.000 67.749 68.868 -0.197 0.000 0.878 346 T HN 0.422 nan 8.240 nan 0.000 0.509 347 Y N 1.033 121.287 120.300 -0.077 0.000 2.503 347 Y HA 0.283 4.833 4.550 -0.000 0.000 0.278 347 Y C 2.929 178.800 175.900 -0.048 0.000 1.111 347 Y CA 0.996 59.063 58.100 -0.054 0.000 1.270 347 Y CB -0.674 37.775 38.460 -0.018 0.000 1.063 347 Y HN 0.669 nan 8.280 nan 0.000 0.548 348 T N -3.293 111.233 114.554 -0.046 0.000 2.978 348 T HA 0.149 4.499 4.350 -0.000 0.000 0.248 348 T C 0.302 174.974 174.700 -0.045 0.000 1.018 348 T CA 0.455 62.536 62.100 -0.031 0.000 1.026 348 T CB -0.319 68.545 68.868 -0.007 0.000 1.032 348 T HN 0.327 nan 8.240 nan 0.000 0.485 349 N N 1.452 120.106 118.700 -0.077 0.000 2.439 349 N HA 0.202 4.942 4.740 -0.000 0.000 0.249 349 N C 0.757 176.186 175.510 -0.134 0.000 1.003 349 N CA -0.142 52.855 53.050 -0.087 0.000 0.942 349 N CB 1.746 40.176 38.487 -0.096 0.000 1.115 349 N HN 0.055 nan 8.380 nan 0.000 0.505 350 K N 2.268 122.614 120.400 -0.089 0.000 2.103 350 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 350 K C 0.931 177.461 176.600 -0.117 0.000 1.052 350 K CA 1.065 57.294 56.287 -0.096 0.000 0.945 350 K CB -0.194 32.272 32.500 -0.057 0.000 0.722 350 K HN 0.589 nan 8.250 nan 0.000 0.443 351 D N 0.623 120.977 120.400 -0.075 0.000 2.117 351 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 351 D C 1.876 178.005 176.300 -0.284 0.000 0.987 351 D CA 0.983 54.964 54.000 -0.032 0.000 0.829 351 D CB -0.317 40.586 40.800 0.171 0.000 0.961 351 D HN 0.109 nan 8.370 nan 0.000 0.460 352 L N 1.252 122.117 121.223 -0.596 0.000 2.027 352 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 352 L C 1.784 178.238 176.870 -0.694 0.000 1.074 352 L CA 1.926 56.070 54.840 -1.159 0.000 0.745 352 L CB -0.801 40.641 42.059 -1.028 0.000 0.898 352 L HN -0.127 nan 8.230 nan 0.000 0.433 353 D N -0.865 119.272 120.400 -0.437 0.000 2.116 353 D HA -0.231 4.409 4.640 -0.000 0.000 0.193 353 D C 2.105 178.249 176.300 -0.261 0.000 0.998 353 D CA 1.858 55.670 54.000 -0.313 0.000 0.836 353 D CB 0.114 40.785 40.800 -0.217 0.000 0.951 353 D HN 0.159 nan 8.370 nan 0.000 0.449 354 K N -0.359 119.912 120.400 -0.216 0.000 2.057 354 K HA 0.052 4.372 4.320 -0.000 0.000 0.207 354 K C 2.378 178.890 176.600 -0.146 0.000 1.049 354 K CA 1.013 57.209 56.287 -0.151 0.000 0.931 354 K CB -1.009 31.432 32.500 -0.098 0.000 0.714 354 K HN 0.449 nan 8.250 nan 0.000 0.440 355 A N 0.778 123.488 122.820 -0.184 0.000 1.933 355 A HA -0.015 4.304 4.320 -0.000 0.000 0.218 355 A C 2.275 179.768 177.584 -0.152 0.000 1.175 355 A CA 1.465 53.427 52.037 -0.125 0.000 0.628 355 A CB -0.528 18.430 19.000 -0.071 0.000 0.814 355 A HN 0.350 nan 8.150 nan 0.000 0.444 356 L N -0.780 120.293 121.223 -0.249 0.000 2.056 356 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 356 L C 2.539 179.330 176.870 -0.131 0.000 1.078 356 L CA 0.826 55.549 54.840 -0.196 0.000 0.749 356 L CB -0.434 41.460 42.059 -0.275 0.000 0.901 356 L HN 0.371 nan 8.230 nan 0.000 0.433 357 L N -0.104 121.025 121.223 -0.157 0.000 2.046 357 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 357 L C 2.710 179.520 176.870 -0.100 0.000 1.077 357 L CA 1.424 56.175 54.840 -0.150 0.000 0.747 357 L CB -0.470 41.486 42.059 -0.171 0.000 0.896 357 L HN 0.273 nan 8.230 nan 0.000 0.432 358 K N 0.431 120.784 120.400 -0.079 0.000 2.026 358 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 358 K C 2.114 178.704 176.600 -0.017 0.000 1.048 358 K CA 1.430 57.691 56.287 -0.042 0.000 0.929 358 K CB -0.121 32.360 32.500 -0.033 0.000 0.713 358 K HN 0.243 nan 8.250 nan 0.000 0.439 359 A N 0.704 123.515 122.820 -0.015 0.000 1.972 359 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 359 A C 1.941 179.548 177.584 0.038 0.000 1.169 359 A CA 1.946 53.994 52.037 0.017 0.000 0.635 359 A CB -0.433 18.587 19.000 0.034 0.000 0.810 359 A HN 0.541 nan 8.150 nan 0.000 0.446 360 S N -1.590 114.129 115.700 0.030 0.000 2.556 360 S HA 0.092 4.562 4.470 -0.000 0.000 0.216 360 S C 1.548 176.202 174.600 0.089 0.000 0.970 360 S CA 0.614 58.854 58.200 0.067 0.000 0.912 360 S CB 0.167 63.404 63.200 0.061 0.000 0.790 360 S HN 0.443 nan 8.310 nan 0.000 0.504 361 Q N 2.608 122.442 119.800 0.056 0.000 2.061 361 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 361 Q C 1.582 177.672 176.000 0.149 0.000 0.984 361 Q CA 2.337 58.194 55.803 0.089 0.000 0.846 361 Q CB -0.756 28.007 28.738 0.040 0.000 0.902 361 Q HN 0.621 nan 8.270 nan 0.000 0.421 362 D N -1.114 119.345 120.400 0.097 0.000 2.097 362 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 362 D C 1.787 178.144 176.300 0.095 0.000 0.989 362 D CA 1.572 55.623 54.000 0.084 0.000 0.827 362 D CB -0.036 40.793 40.800 0.050 0.000 0.966 362 D HN 0.338 nan 8.370 nan 0.000 0.456 363 M N -0.808 118.855 119.600 0.105 0.000 2.159 363 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 363 M C 1.950 178.336 176.300 0.143 0.000 1.063 363 M CA 0.938 56.301 55.300 0.105 0.000 1.110 363 M CB -0.365 32.303 32.600 0.112 0.000 1.374 363 M HN 0.125 nan 8.290 nan 0.000 0.411 364 F N 1.833 121.809 119.950 0.043 0.000 2.102 364 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 364 F C 1.833 177.663 175.800 0.049 0.000 1.105 364 F CA 1.884 59.910 58.000 0.045 0.000 1.239 364 F CB -0.346 38.660 39.000 0.010 0.000 0.991 364 F HN 0.130 nan 8.300 nan 0.000 0.474 365 D N 0.385 120.832 120.400 0.079 0.000 2.149 365 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 365 D C 2.157 178.430 176.300 -0.045 0.000 0.990 365 D CA 1.467 55.454 54.000 -0.021 0.000 0.839 365 D CB -0.274 40.575 40.800 0.081 0.000 0.948 365 D HN 0.392 nan 8.370 nan 0.000 0.460 366 K N 0.109 120.514 120.400 0.009 0.000 2.137 366 K HA 0.052 4.372 4.320 -0.000 0.000 0.202 366 K C 1.906 178.541 176.600 0.059 0.000 1.052 366 K CA 0.671 56.983 56.287 0.042 0.000 0.961 366 K CB 0.293 32.806 32.500 0.021 0.000 0.741 366 K HN 0.032 nan 8.250 nan 0.000 0.452 367 K N -0.700 119.710 120.400 0.016 0.000 2.348 367 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 367 K C 1.172 177.836 176.600 0.107 0.000 1.052 367 K CA 0.794 57.116 56.287 0.060 0.000 1.004 367 K CB 0.874 33.392 32.500 0.031 0.000 0.873 367 K HN -0.037 nan 8.250 nan 0.000 0.523 368 T N -0.001 114.506 114.554 -0.079 0.000 3.048 368 T HA 0.048 4.397 4.350 -0.000 0.000 0.254 368 T C 1.433 175.906 174.700 -0.380 0.000 0.942 368 T CA -0.122 61.893 62.100 -0.142 0.000 0.931 368 T CB 0.497 69.341 68.868 -0.041 0.000 1.220 368 T HN 0.028 nan 8.240 nan 0.000 0.503 369 K N 1.964 121.938 120.400 -0.710 0.000 2.032 369 K HA -0.051 4.269 4.320 -0.000 0.000 0.209 369 K C 2.384 178.813 176.600 -0.286 0.000 1.048 369 K CA 1.555 57.458 56.287 -0.641 0.000 0.927 369 K CB -0.299 31.878 32.500 -0.537 0.000 0.712 369 K HN 0.254 nan 8.250 nan 0.000 0.441 370 A N 0.845 123.490 122.820 -0.292 0.000 1.972 370 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 370 A C 2.024 179.524 177.584 -0.140 0.000 1.169 370 A CA 2.108 53.925 52.037 -0.366 0.000 0.635 370 A CB -0.713 17.834 19.000 -0.755 0.000 0.810 370 A HN 0.583 nan 8.150 nan 0.000 0.446 371 S N -0.569 115.088 115.700 -0.072 0.000 2.547 371 S HA 0.074 4.544 4.470 -0.000 0.000 0.235 371 S C 1.335 175.953 174.600 0.030 0.000 0.980 371 S CA 0.963 59.163 58.200 0.000 0.000 0.941 371 S CB -0.471 62.744 63.200 0.025 0.000 0.763 371 S HN 0.456 nan 8.310 nan 0.000 0.532 372 L N -0.377 120.856 121.223 0.016 0.000 2.592 372 L HA 0.281 4.621 4.340 -0.000 0.000 0.227 372 L C 1.976 178.877 176.870 0.052 0.000 1.127 372 L CA 0.032 54.890 54.840 0.030 0.000 0.884 372 L CB -0.436 41.635 42.059 0.021 0.000 1.065 372 L HN 0.251 nan 8.230 nan 0.000 0.457 373 Y N 1.018 121.311 120.300 -0.012 0.000 2.097 373 Y HA -0.326 4.224 4.550 -0.000 0.000 0.282 373 Y C 2.332 178.284 175.900 0.087 0.000 1.152 373 Y CA 1.993 60.125 58.100 0.053 0.000 1.136 373 Y CB -0.011 38.463 38.460 0.024 0.000 0.975 373 Y HN 0.140 nan 8.280 nan 0.000 0.498 374 L N -0.414 120.881 121.223 0.119 0.000 2.042 374 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 374 L C 2.348 179.167 176.870 -0.085 0.000 1.076 374 L CA 2.307 57.141 54.840 -0.011 0.000 0.749 374 L CB -1.226 40.860 42.059 0.046 0.000 0.893 374 L HN 0.191 nan 8.230 nan 0.000 0.432 375 S N -1.382 114.289 115.700 -0.047 0.000 2.370 375 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 375 S C 1.930 176.452 174.600 -0.131 0.000 1.033 375 S CA 1.751 59.913 58.200 -0.062 0.000 1.011 375 S CB -0.608 62.572 63.200 -0.033 0.000 0.852 375 S HN 0.666 nan 8.310 nan 0.000 0.457 376 T N 0.644 115.075 114.554 -0.206 0.000 2.962 376 T HA -0.068 4.282 4.350 -0.000 0.000 0.270 376 T C 1.312 175.690 174.700 -0.535 0.000 1.088 376 T CA 0.884 62.780 62.100 -0.339 0.000 1.127 376 T CB -0.246 68.389 68.868 -0.388 0.000 0.883 376 T HN 0.477 nan 8.240 nan 0.000 0.493 377 H N -0.548 118.292 119.070 -0.382 0.000 2.575 377 H HA 0.286 4.842 4.556 -0.000 0.000 0.267 377 H C 1.680 176.793 175.328 -0.359 0.000 0.966 377 H CA 0.511 56.295 56.048 -0.440 0.000 1.165 377 H CB 0.427 29.820 29.762 -0.615 0.000 1.433 377 H HN 0.356 nan 8.280 nan 0.000 0.544 378 N N -0.343 118.249 118.700 -0.180 0.000 2.272 378 N HA 0.133 4.873 4.740 -0.000 0.000 0.228 378 N C 0.602 176.082 175.510 -0.050 0.000 1.206 378 N CA 0.870 53.842 53.050 -0.130 0.000 0.855 378 N CB 1.631 40.017 38.487 -0.168 0.000 1.248 378 N HN 0.374 nan 8.380 nan 0.000 0.476 379 G N 0.619 109.387 108.800 -0.053 0.000 2.548 379 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.208 379 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.208 379 G C -1.118 173.797 174.900 0.026 0.000 1.308 379 G CA -0.356 44.740 45.100 -0.007 0.000 0.924 379 G HN 0.421 nan 8.290 nan 0.000 0.540 380 N N 1.116 119.852 118.700 0.060 0.000 2.401 380 N HA 0.454 5.194 4.740 -0.000 0.000 0.255 380 N C 1.195 176.720 175.510 0.025 0.000 1.110 380 N CA 0.106 53.211 53.050 0.092 0.000 0.949 380 N CB 0.221 38.825 38.487 0.195 0.000 1.110 380 N HN 0.712 nan 8.380 nan 0.000 0.490 381 M N 2.687 122.344 119.600 0.094 0.000 2.756 381 M HA 0.228 4.708 4.480 -0.000 0.000 0.320 381 M C -0.378 176.058 176.300 0.226 0.000 1.245 381 M CA -0.654 54.693 55.300 0.078 0.000 0.972 381 M CB -0.008 32.667 32.600 0.124 0.000 1.327 381 M HN 0.163 nan 8.290 nan 0.000 0.505 382 Y N 0.159 120.616 120.300 0.261 0.000 2.835 382 Y HA -0.451 4.099 4.550 -0.000 0.000 0.470 382 Y C 2.367 178.381 175.900 0.190 0.000 1.154 382 Y CA 2.144 60.389 58.100 0.241 0.000 2.680 382 Y CB -2.129 36.425 38.460 0.156 0.000 1.184 382 Y HN 0.594 nan 8.280 nan 0.000 0.622 383 T N -1.521 113.220 114.554 0.312 0.000 2.803 383 T HA -0.120 4.229 4.350 -0.000 0.000 0.269 383 T C 1.487 176.344 174.700 0.262 0.000 1.052 383 T CA 2.252 64.464 62.100 0.187 0.000 1.136 383 T CB -0.747 68.193 68.868 0.119 0.000 0.864 383 T HN 0.659 nan 8.240 nan 0.000 0.467 384 S N 0.605 116.472 115.700 0.278 0.000 2.575 384 S HA 0.236 4.706 4.470 -0.000 0.000 0.215 384 S C 1.970 176.740 174.600 0.285 0.000 0.966 384 S CA 0.328 58.714 58.200 0.311 0.000 0.911 384 S CB -0.028 63.317 63.200 0.241 0.000 0.780 384 S HN 0.480 nan 8.310 nan 0.000 0.514 385 S N 2.141 118.012 115.700 0.285 0.000 2.348 385 S HA -0.106 4.364 4.470 -0.000 0.000 0.221 385 S C 1.781 176.459 174.600 0.130 0.000 1.033 385 S CA 1.352 59.687 58.200 0.225 0.000 1.010 385 S CB -0.621 62.751 63.200 0.287 0.000 0.891 385 S HN 0.510 nan 8.310 nan 0.000 0.442 386 L N 0.677 121.944 121.223 0.074 0.000 2.042 386 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 386 L C 1.914 178.592 176.870 -0.320 0.000 1.076 386 L CA 1.977 56.705 54.840 -0.186 0.000 0.749 386 L CB -1.030 40.772 42.059 -0.429 0.000 0.893 386 L HN 0.498 nan 8.230 nan 0.000 0.432 387 Y N -0.721 119.652 120.300 0.122 0.000 2.457 387 Y HA 0.076 4.626 4.550 -0.000 0.000 0.292 387 Y C 2.444 178.393 175.900 0.082 0.000 1.125 387 Y CA 0.769 58.924 58.100 0.093 0.000 1.254 387 Y CB -0.796 37.715 38.460 0.084 0.000 1.012 387 Y HN 0.254 nan 8.280 nan 0.000 0.555 388 G N -1.049 107.857 108.800 0.176 0.000 2.422 388 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 388 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 388 G C 1.533 176.489 174.900 0.094 0.000 1.140 388 G CA 1.152 46.338 45.100 0.143 0.000 0.775 388 G HN 0.437 nan 8.290 nan 0.000 0.545 389 C N -0.200 119.134 119.300 0.057 0.000 2.440 389 C HA 0.075 4.535 4.460 -0.000 0.000 0.278 389 C C 2.665 177.667 174.990 0.020 0.000 1.295 389 C CA 0.550 59.591 59.018 0.038 0.000 1.738 389 C CB -0.813 26.946 27.740 0.033 0.000 1.987 389 C HN 0.448 nan 8.230 nan 0.000 0.492 390 L N 2.093 123.320 121.223 0.007 0.000 2.046 390 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 390 L C 2.570 179.440 176.870 0.001 0.000 1.077 390 L CA 2.371 57.203 54.840 -0.013 0.000 0.747 390 L CB -0.973 41.090 42.059 0.007 0.000 0.896 390 L HN 0.260 nan 8.230 nan 0.000 0.432 391 A N -1.428 121.420 122.820 0.047 0.000 1.902 391 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 391 A C 2.383 179.993 177.584 0.043 0.000 1.181 391 A CA 2.054 54.121 52.037 0.050 0.000 0.623 391 A CB -0.976 18.079 19.000 0.091 0.000 0.818 391 A HN 0.544 nan 8.150 nan 0.000 0.443 392 S N -0.582 115.153 115.700 0.059 0.000 2.382 392 S HA -0.126 4.343 4.470 -0.000 0.000 0.228 392 S C 1.850 176.468 174.600 0.031 0.000 1.027 392 S CA 1.344 59.583 58.200 0.064 0.000 0.991 392 S CB -0.434 62.825 63.200 0.098 0.000 0.823 392 S HN 0.494 nan 8.310 nan 0.000 0.469 393 L N 1.950 123.181 121.223 0.014 0.000 2.012 393 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 393 L C 1.971 178.854 176.870 0.022 0.000 1.073 393 L CA 1.675 56.521 54.840 0.010 0.000 0.748 393 L CB -0.602 41.418 42.059 -0.065 0.000 0.891 393 L HN 0.272 nan 8.230 nan 0.000 0.431 394 L N -0.697 120.513 121.223 -0.022 0.000 2.131 394 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 394 L C 2.656 179.518 176.870 -0.014 0.000 1.092 394 L CA 1.402 56.225 54.840 -0.029 0.000 0.759 394 L CB -0.818 41.216 42.059 -0.042 0.000 0.903 394 L HN 0.537 nan 8.230 nan 0.000 0.435 395 S N -1.926 113.769 115.700 -0.009 0.000 2.428 395 S HA -0.222 4.248 4.470 -0.000 0.000 0.230 395 S C 2.018 176.579 174.600 -0.065 0.000 1.014 395 S CA 0.759 58.938 58.200 -0.034 0.000 0.957 395 S CB -0.497 62.685 63.200 -0.030 0.000 0.784 395 S HN 0.525 nan 8.310 nan 0.000 0.499 396 H N 0.609 119.573 119.070 -0.176 0.000 2.431 396 H HA 0.144 4.700 4.556 -0.000 0.000 0.295 396 H C 0.088 175.209 175.328 -0.345 0.000 1.038 396 H CA 0.804 56.673 56.048 -0.300 0.000 1.360 396 H CB 0.048 29.573 29.762 -0.396 0.000 1.433 396 H HN 0.436 nan 8.280 nan 0.000 0.536 397 H N 0.744 119.770 119.070 -0.074 0.000 2.502 397 H HA 0.158 4.714 4.556 -0.000 0.000 0.338 397 H C 0.360 175.628 175.328 -0.100 0.000 1.155 397 H CA -0.093 55.896 56.048 -0.098 0.000 1.237 397 H CB 1.896 31.611 29.762 -0.078 0.000 1.534 397 H HN 0.264 nan 8.280 nan 0.000 0.523 398 S N 0.427 116.161 115.700 0.057 0.000 2.614 398 S HA 0.285 4.754 4.470 -0.000 0.000 0.265 398 S C 1.410 176.027 174.600 0.028 0.000 1.303 398 S CA -0.268 57.941 58.200 0.016 0.000 1.000 398 S CB 1.341 64.545 63.200 0.006 0.000 0.935 398 S HN 0.734 nan 8.310 nan 0.000 0.551 399 A N 0.829 123.654 122.820 0.008 0.000 1.908 399 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 399 A C 2.286 179.882 177.584 0.020 0.000 1.181 399 A CA 1.973 54.015 52.037 0.008 0.000 0.627 399 A CB -1.305 17.697 19.000 0.003 0.000 0.818 399 A HN 0.937 nan 8.150 nan 0.000 0.445 400 Q N -0.326 119.487 119.800 0.023 0.000 2.124 400 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 400 Q C 1.875 177.901 176.000 0.044 0.000 0.977 400 Q CA 1.990 57.810 55.803 0.029 0.000 0.850 400 Q CB -0.175 28.577 28.738 0.024 0.000 0.901 400 Q HN 0.790 nan 8.270 nan 0.000 0.429 401 E N -0.381 119.854 120.200 0.058 0.000 2.106 401 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 401 E C 1.819 178.468 176.600 0.083 0.000 0.984 401 E CA 1.115 57.565 56.400 0.084 0.000 0.806 401 E CB 0.005 29.790 29.700 0.141 0.000 0.750 401 E HN 0.384 nan 8.360 nan 0.000 0.458 402 L N 0.696 121.944 121.223 0.042 0.000 2.341 402 L HA 0.084 4.424 4.340 -0.000 0.000 0.214 402 L C 1.111 178.031 176.870 0.084 0.000 1.115 402 L CA -0.372 54.491 54.840 0.039 0.000 0.820 402 L CB -0.244 41.779 42.059 -0.061 0.000 0.944 402 L HN -0.021 nan 8.230 nan 0.000 0.452 403 A N 0.561 123.418 122.820 0.061 0.000 2.580 403 A HA 0.297 4.617 4.320 -0.000 0.000 0.244 403 A C 1.490 179.118 177.584 0.074 0.000 1.045 403 A CA 0.790 52.862 52.037 0.059 0.000 0.761 403 A CB -0.493 18.533 19.000 0.044 0.000 0.962 403 A HN 0.622 nan 8.150 nan 0.000 0.512 404 G N 1.672 110.520 108.800 0.080 0.000 2.184 404 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.264 404 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.264 404 G C 0.643 175.606 174.900 0.106 0.000 0.975 404 G CA 1.134 46.285 45.100 0.085 0.000 0.642 404 G HN 2.215 nan 8.290 nan 0.000 0.536 405 S N -0.821 114.958 115.700 0.133 0.000 2.645 405 S HA 0.684 5.154 4.470 -0.000 0.000 0.266 405 S C 0.245 174.961 174.600 0.193 0.000 1.258 405 S CA -0.022 58.273 58.200 0.157 0.000 0.990 405 S CB 1.901 65.244 63.200 0.239 0.000 0.967 405 S HN 0.776 nan 8.310 nan 0.000 0.556 406 R N 0.604 121.222 120.500 0.196 0.000 2.338 406 R HA 0.557 4.897 4.340 -0.000 0.000 0.317 406 R C -1.270 175.185 176.300 0.259 0.000 0.968 406 R CA -0.599 55.649 56.100 0.246 0.000 0.849 406 R CB 0.483 30.951 30.300 0.281 0.000 1.128 406 R HN 0.782 nan 8.270 nan 0.000 0.448 407 I N 4.114 124.854 120.570 0.284 0.000 2.328 407 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 407 I C 0.746 176.936 176.117 0.121 0.000 1.012 407 I CA -0.668 60.782 61.300 0.251 0.000 1.195 407 I CB 1.860 40.017 38.000 0.261 0.000 1.350 407 I HN 0.727 nan 8.210 nan 0.000 0.464 408 G N 4.604 113.399 108.800 -0.008 0.000 2.476 408 G HA2 0.693 4.653 3.960 -0.000 0.000 0.269 408 G HA3 0.693 4.653 3.960 -0.000 0.000 0.269 408 G C -0.784 173.751 174.900 -0.607 0.000 1.195 408 G CA -0.317 44.595 45.100 -0.313 0.000 0.843 408 G HN 0.739 nan 8.290 nan 0.000 0.545 409 A N 0.735 122.908 122.820 -1.078 0.000 2.427 409 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 409 A C -1.681 175.242 177.584 -1.102 0.000 1.036 409 A CA -0.581 50.825 52.037 -1.053 0.000 0.701 409 A CB 1.483 19.744 19.000 -1.231 0.000 1.250 409 A HN 0.942 nan 8.150 nan 0.000 0.412 410 F N 2.605 122.048 119.950 -0.845 0.000 2.449 410 F HA 0.689 5.216 4.527 -0.000 0.000 0.342 410 F C 0.025 175.788 175.800 -0.061 0.000 1.127 410 F CA -0.484 57.267 58.000 -0.415 0.000 0.975 410 F CB 1.909 40.740 39.000 -0.282 0.000 1.146 410 F HN 0.463 nan 8.300 nan 0.000 0.444 411 S N 6.365 121.729 115.700 -0.560 0.000 2.454 411 S HA 0.557 5.027 4.470 -0.000 0.000 0.306 411 S C -1.709 172.523 174.600 -0.613 0.000 1.100 411 S CA -0.304 57.666 58.200 -0.384 0.000 1.087 411 S CB 0.524 63.691 63.200 -0.056 0.000 1.019 411 S HN 0.647 nan 8.310 nan 0.000 0.480 412 Y N 2.622 122.569 120.300 -0.589 0.000 2.462 412 Y HA 0.681 5.231 4.550 -0.000 0.000 0.346 412 Y C -0.145 175.585 175.900 -0.283 0.000 0.976 412 Y CA -0.456 57.362 58.100 -0.470 0.000 1.044 412 Y CB 1.878 40.045 38.460 -0.489 0.000 1.230 412 Y HN 0.778 nan 8.280 nan 0.000 0.455 413 G N 2.875 111.120 108.800 -0.924 0.000 2.687 413 G HA2 0.456 4.416 3.960 -0.000 0.000 0.301 413 G HA3 0.456 4.416 3.960 -0.000 0.000 0.301 413 G C -1.329 172.965 174.900 -1.010 0.000 1.416 413 G CA -0.825 43.837 45.100 -0.730 0.000 1.005 413 G HN 0.676 nan 8.290 nan 0.000 0.509 414 S N -0.377 114.968 115.700 -0.593 0.000 2.566 414 S HA 0.459 4.929 4.470 -0.000 0.000 0.280 414 S C 1.516 176.030 174.600 -0.143 0.000 1.343 414 S CA 1.408 59.486 58.200 -0.204 0.000 1.036 414 S CB 1.089 64.358 63.200 0.113 0.000 0.866 414 S HN 2.022 nan 8.310 nan 0.000 0.526 415 G N 0.183 108.954 108.800 -0.049 0.000 2.481 415 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.200 415 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.200 415 G C -0.441 174.355 174.900 -0.175 0.000 1.012 415 G CA -0.026 45.007 45.100 -0.111 0.000 0.676 415 G HN 1.023 nan 8.290 nan 0.000 0.488 416 L N -1.911 119.201 121.223 -0.185 0.000 2.376 416 L HA 1.065 5.405 4.340 -0.000 0.000 0.258 416 L C -0.374 176.277 176.870 -0.366 0.000 1.013 416 L CA -0.873 53.801 54.840 -0.276 0.000 0.822 416 L CB 1.899 43.872 42.059 -0.143 0.000 1.388 416 L HN 1.328 nan 8.230 nan 0.000 0.413 417 A N 0.975 123.467 122.820 -0.547 0.000 2.422 417 A HA 1.042 5.361 4.320 -0.000 0.000 0.302 417 A C -0.809 176.273 177.584 -0.837 0.000 1.041 417 A CA 0.080 51.687 52.037 -0.717 0.000 0.708 417 A CB 1.531 19.975 19.000 -0.926 0.000 1.257 417 A HN 1.790 nan 8.150 nan 0.000 0.414 418 A N 0.988 123.473 122.820 -0.559 0.000 2.574 418 A HA 0.893 5.213 4.320 -0.000 0.000 0.297 418 A C -0.609 177.054 177.584 0.132 0.000 1.062 418 A CA -0.388 51.544 52.037 -0.174 0.000 0.686 418 A CB 1.513 20.621 19.000 0.181 0.000 1.285 418 A HN 1.314 nan 8.150 nan 0.000 0.403 419 S N 0.081 115.983 115.700 0.336 0.000 2.540 419 S HA 0.664 5.134 4.470 -0.000 0.000 0.275 419 S C -1.435 173.547 174.600 0.636 0.000 1.123 419 S CA -0.335 58.190 58.200 0.542 0.000 0.907 419 S CB 1.245 64.866 63.200 0.701 0.000 1.081 419 S HN 0.767 nan 8.310 nan 0.000 0.476 420 F N 4.888 125.157 119.950 0.531 0.000 2.444 420 F HA 0.759 5.286 4.527 -0.000 0.000 0.342 420 F C -0.700 175.329 175.800 0.382 0.000 1.121 420 F CA -0.722 57.508 58.000 0.384 0.000 0.997 420 F CB 0.443 39.594 39.000 0.252 0.000 1.130 420 F HN 0.685 nan 8.300 nan 0.000 0.454 421 F N 2.200 122.153 119.950 0.005 0.000 2.950 421 F HA 0.858 5.385 4.527 -0.000 0.000 0.327 421 F C -1.290 174.432 175.800 -0.129 0.000 1.197 421 F CA -0.908 57.159 58.000 0.111 0.000 0.954 421 F CB 1.254 40.349 39.000 0.157 0.000 1.442 421 F HN 0.370 nan 8.300 nan 0.000 0.509 422 S N -0.422 115.285 115.700 0.013 0.000 2.596 422 S HA 0.776 5.246 4.470 -0.000 0.000 0.270 422 S C -1.804 172.701 174.600 -0.159 0.000 1.155 422 S CA -0.781 57.346 58.200 -0.122 0.000 0.827 422 S CB 1.803 65.108 63.200 0.175 0.000 1.130 422 S HN 0.602 nan 8.310 nan 0.000 0.467 423 F N 0.579 120.613 119.950 0.140 0.000 2.522 423 F HA 0.780 5.307 4.527 -0.000 0.000 0.324 423 F C 0.305 176.196 175.800 0.152 0.000 1.077 423 F CA -0.777 57.319 58.000 0.160 0.000 0.944 423 F CB 1.827 40.905 39.000 0.130 0.000 1.175 423 F HN 0.664 nan 8.300 nan 0.000 0.468 424 R N 1.678 122.380 120.500 0.337 0.000 2.338 424 R HA 0.649 4.989 4.340 -0.000 0.000 0.317 424 R C -1.801 174.626 176.300 0.211 0.000 0.968 424 R CA -0.488 55.759 56.100 0.245 0.000 0.849 424 R CB 0.935 31.351 30.300 0.194 0.000 1.128 424 R HN 0.496 nan 8.270 nan 0.000 0.448 425 V N 3.928 123.946 119.914 0.173 0.000 2.583 425 V HA 0.221 4.341 4.120 -0.000 0.000 0.287 425 V C 0.595 176.748 176.094 0.098 0.000 1.051 425 V CA -0.443 61.929 62.300 0.118 0.000 1.010 425 V CB 1.356 33.237 31.823 0.097 0.000 0.988 425 V HN 0.946 nan 8.190 nan 0.000 0.478 426 S N 3.190 118.937 115.700 0.078 0.000 2.558 426 S HA -0.037 4.433 4.470 -0.000 0.000 0.287 426 S C 1.133 175.768 174.600 0.058 0.000 1.321 426 S CA -0.097 58.142 58.200 0.065 0.000 1.048 426 S CB 0.572 63.803 63.200 0.053 0.000 0.844 426 S HN 0.766 nan 8.310 nan 0.000 0.512 427 Q N 1.272 121.104 119.800 0.053 0.000 2.378 427 Q HA 0.009 4.349 4.340 -0.000 0.000 0.205 427 Q C -0.048 175.974 176.000 0.037 0.000 0.954 427 Q CA 0.475 56.305 55.803 0.045 0.000 0.901 427 Q CB -0.282 28.481 28.738 0.042 0.000 0.981 427 Q HN 0.697 nan 8.270 nan 0.000 0.483 428 D N 0.202 120.623 120.400 0.035 0.000 2.365 428 D HA 0.255 4.895 4.640 -0.000 0.000 0.237 428 D C -0.292 176.023 176.300 0.025 0.000 1.190 428 D CA -0.157 53.860 54.000 0.028 0.000 0.867 428 D CB 0.835 41.652 40.800 0.028 0.000 1.050 428 D HN 0.051 nan 8.370 nan 0.000 0.491 429 A N 3.325 126.158 122.820 0.021 0.000 2.564 429 A HA 0.585 4.905 4.320 -0.000 0.000 0.279 429 A C 0.842 178.433 177.584 0.012 0.000 1.232 429 A CA -0.025 52.022 52.037 0.017 0.000 0.950 429 A CB 0.023 19.035 19.000 0.019 0.000 1.138 429 A HN 0.609 nan 8.150 nan 0.000 0.526 430 A N 1.181 124.009 122.820 0.013 0.000 2.466 430 A HA 0.528 4.848 4.320 -0.000 0.000 0.238 430 A C -2.453 175.135 177.584 0.006 0.000 1.074 430 A CA -0.901 51.141 52.037 0.009 0.000 0.774 430 A CB -0.475 18.531 19.000 0.011 0.000 1.015 430 A HN 0.235 nan 8.150 nan 0.000 0.498 431 P HA 0.238 nan 4.420 nan 0.000 0.264 431 P C 0.994 178.295 177.300 0.002 0.000 1.193 431 P CA 1.852 64.952 63.100 0.000 0.000 0.763 431 P CB 0.544 32.244 31.700 -0.001 0.000 0.810 432 G N 1.849 110.649 108.800 0.000 0.000 2.199 432 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.254 432 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.254 432 G C 0.430 175.334 174.900 0.006 0.000 0.982 432 G CA 0.309 45.410 45.100 0.002 0.000 0.632 432 G HN 0.803 nan 8.290 nan 0.000 0.529 433 S N 0.505 116.210 115.700 0.008 0.000 2.589 433 S HA 0.513 4.983 4.470 -0.000 0.000 0.265 433 S C -0.654 173.953 174.600 0.011 0.000 1.342 433 S CA -0.273 57.935 58.200 0.013 0.000 1.005 433 S CB 1.690 64.899 63.200 0.015 0.000 0.909 433 S HN 0.027 nan 8.310 nan 0.000 0.555 434 P HA -0.096 nan 4.420 nan 0.000 0.216 434 P C 1.587 178.891 177.300 0.006 0.000 1.150 434 P CA 0.528 63.637 63.100 0.015 0.000 0.843 434 P CB -0.032 31.684 31.700 0.028 0.000 0.787 435 L N 0.098 121.326 121.223 0.009 0.000 2.056 435 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 435 L C 1.947 178.813 176.870 -0.006 0.000 1.078 435 L CA 2.055 56.895 54.840 0.001 0.000 0.749 435 L CB -1.491 40.573 42.059 0.009 0.000 0.901 435 L HN -0.134 nan 8.230 nan 0.000 0.433 436 D N -0.640 119.758 120.400 -0.002 0.000 2.123 436 D HA -0.226 4.413 4.640 -0.000 0.000 0.196 436 D C 2.094 178.387 176.300 -0.013 0.000 0.992 436 D CA 1.562 55.557 54.000 -0.007 0.000 0.833 436 D CB 0.044 40.841 40.800 -0.004 0.000 0.954 436 D HN 0.324 nan 8.370 nan 0.000 0.455 437 K N -0.543 119.851 120.400 -0.011 0.000 2.026 437 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 437 K C 2.094 178.680 176.600 -0.023 0.000 1.048 437 K CA 0.952 57.229 56.287 -0.017 0.000 0.929 437 K CB -0.292 32.199 32.500 -0.014 0.000 0.713 437 K HN 0.176 nan 8.250 nan 0.000 0.439 438 L N 1.056 122.266 121.223 -0.023 0.000 2.017 438 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 438 L C 2.061 178.912 176.870 -0.031 0.000 1.073 438 L CA 1.494 56.315 54.840 -0.031 0.000 0.745 438 L CB -0.387 41.651 42.059 -0.035 0.000 0.894 438 L HN -0.102 nan 8.230 nan 0.000 0.432 439 V N -0.951 118.945 119.914 -0.029 0.000 2.295 439 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 439 V C 2.773 178.849 176.094 -0.030 0.000 1.049 439 V CA 1.916 64.198 62.300 -0.030 0.000 1.024 439 V CB -0.886 30.922 31.823 -0.025 0.000 0.648 439 V HN 0.652 nan 8.190 nan 0.000 0.447 440 S N 0.657 116.340 115.700 -0.028 0.000 2.387 440 S HA -0.226 4.244 4.470 -0.000 0.000 0.230 440 S C 2.212 176.794 174.600 -0.030 0.000 1.035 440 S CA 2.081 60.263 58.200 -0.030 0.000 1.014 440 S CB -0.472 62.713 63.200 -0.026 0.000 0.836 440 S HN 0.839 nan 8.310 nan 0.000 0.466 441 S N 0.163 115.846 115.700 -0.029 0.000 2.500 441 S HA -0.075 4.395 4.470 -0.000 0.000 0.239 441 S C 1.636 176.222 174.600 -0.024 0.000 0.989 441 S CA 1.463 59.646 58.200 -0.029 0.000 0.951 441 S CB -0.846 62.336 63.200 -0.030 0.000 0.759 441 S HN 0.769 nan 8.310 nan 0.000 0.523 442 T N -2.768 111.773 114.554 -0.022 0.000 3.054 442 T HA 0.305 4.655 4.350 -0.000 0.000 0.255 442 T C 1.558 176.245 174.700 -0.020 0.000 1.035 442 T CA 0.342 62.436 62.100 -0.011 0.000 0.941 442 T CB -0.216 68.649 68.868 -0.005 0.000 1.026 442 T HN 0.249 nan 8.240 nan 0.000 0.533 443 S N 2.866 118.545 115.700 -0.034 0.000 2.419 443 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 443 S C 1.590 176.159 174.600 -0.052 0.000 1.016 443 S CA 1.412 59.582 58.200 -0.051 0.000 0.974 443 S CB -0.360 62.808 63.200 -0.054 0.000 0.786 443 S HN 0.883 nan 8.310 nan 0.000 0.492 444 D N 1.050 121.429 120.400 -0.035 0.000 2.319 444 D HA 0.058 4.698 4.640 -0.000 0.000 0.230 444 D C 1.480 177.777 176.300 -0.005 0.000 1.094 444 D CA -0.136 53.846 54.000 -0.030 0.000 0.856 444 D CB -0.349 40.433 40.800 -0.031 0.000 0.915 444 D HN 0.233 nan 8.370 nan 0.000 0.517 445 L N 1.026 122.255 121.223 0.009 0.000 1.990 445 L HA -0.049 4.291 4.340 -0.000 0.000 0.213 445 L C -0.772 176.138 176.870 0.067 0.000 1.072 445 L CA 2.120 57.006 54.840 0.076 0.000 0.755 445 L CB -1.394 40.715 42.059 0.083 0.000 0.889 445 L HN -0.016 nan 8.230 nan 0.000 0.432 446 P HA -0.162 nan 4.420 nan 0.000 0.217 446 P C 1.363 178.660 177.300 -0.004 0.000 1.150 446 P CA 1.662 64.748 63.100 -0.024 0.000 0.832 446 P CB -0.044 31.518 31.700 -0.229 0.000 0.787 447 K N -0.377 120.016 120.400 -0.012 0.000 2.057 447 K HA -0.107 4.212 4.320 -0.000 0.000 0.207 447 K C 2.267 178.893 176.600 0.043 0.000 1.049 447 K CA 1.277 57.568 56.287 0.006 0.000 0.931 447 K CB -0.269 32.226 32.500 -0.008 0.000 0.714 447 K HN 0.067 nan 8.250 nan 0.000 0.440 448 R N 0.755 121.293 120.500 0.064 0.000 2.081 448 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 448 R C 2.379 178.826 176.300 0.245 0.000 1.131 448 R CA 1.167 57.332 56.100 0.109 0.000 0.960 448 R CB -0.428 29.949 30.300 0.128 0.000 0.856 448 R HN 0.135 nan 8.270 nan 0.000 0.436 449 L N 0.153 121.464 121.223 0.147 0.000 2.042 449 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 449 L C 2.586 179.472 176.870 0.026 0.000 1.076 449 L CA 1.308 56.114 54.840 -0.056 0.000 0.749 449 L CB -0.501 41.394 42.059 -0.273 0.000 0.893 449 L HN 0.256 nan 8.230 nan 0.000 0.432 450 A N -0.411 122.428 122.820 0.032 0.000 2.067 450 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 450 A C 2.399 180.068 177.584 0.142 0.000 1.158 450 A CA 1.541 53.610 52.037 0.054 0.000 0.661 450 A CB -0.514 18.503 19.000 0.029 0.000 0.801 450 A HN 0.515 nan 8.150 nan 0.000 0.452 451 S N -0.564 115.252 115.700 0.194 0.000 2.603 451 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 451 S C 0.902 175.700 174.600 0.330 0.000 0.967 451 S CA -0.415 57.933 58.200 0.246 0.000 0.920 451 S CB -0.195 63.156 63.200 0.252 0.000 0.773 451 S HN 0.555 nan 8.310 nan 0.000 0.529 452 R N 1.172 121.897 120.500 0.374 0.000 2.707 452 R HA 0.366 4.706 4.340 -0.000 0.000 0.270 452 R C -0.163 176.242 176.300 0.176 0.000 1.083 452 R CA -0.310 55.973 56.100 0.306 0.000 1.182 452 R CB 0.409 30.969 30.300 0.434 0.000 1.084 452 R HN 0.138 nan 8.270 nan 0.000 0.528 453 K N 1.542 121.915 120.400 -0.044 0.000 2.185 453 K HA 0.185 4.505 4.320 -0.000 0.000 0.269 453 K C -0.347 175.939 176.600 -0.522 0.000 0.987 453 K CA -0.830 55.353 56.287 -0.173 0.000 0.865 453 K CB 0.466 32.870 32.500 -0.160 0.000 1.090 453 K HN 0.805 nan 8.250 nan 0.000 0.450 454 C N 2.518 121.474 119.300 -0.573 0.000 2.585 454 C HA 0.750 5.210 4.460 -0.000 0.000 0.406 454 C C 0.295 175.074 174.990 -0.352 0.000 1.312 454 C CA -0.828 57.700 59.018 -0.816 0.000 1.924 454 C CB -0.887 26.645 27.740 -0.347 0.000 2.578 454 C HN 0.603 nan 8.230 nan 0.000 0.580 455 V N 5.177 124.941 119.914 -0.249 0.000 2.628 455 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 455 V C 0.691 176.774 176.094 -0.018 0.000 1.045 455 V CA -0.066 62.216 62.300 -0.031 0.000 0.905 455 V CB 1.955 33.894 31.823 0.194 0.000 0.997 455 V HN 1.177 nan 8.190 nan 0.000 0.436 456 S N 4.738 120.430 115.700 -0.013 0.000 2.573 456 S HA 0.170 4.640 4.470 -0.000 0.000 0.277 456 S C -1.733 172.826 174.600 -0.068 0.000 1.346 456 S CA -0.523 57.657 58.200 -0.033 0.000 1.034 456 S CB 0.742 63.927 63.200 -0.024 0.000 0.879 456 S HN 0.580 nan 8.310 nan 0.000 0.528 457 P HA -0.072 nan 4.420 nan 0.000 0.218 457 P C 1.064 178.053 177.300 -0.518 0.000 1.148 457 P CA 1.208 64.121 63.100 -0.313 0.000 0.822 457 P CB 0.013 31.444 31.700 -0.449 0.000 0.784 458 E N -0.298 119.656 120.200 -0.410 0.000 2.051 458 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 458 E C 2.075 178.594 176.600 -0.136 0.000 0.991 458 E CA 1.246 57.498 56.400 -0.247 0.000 0.799 458 E CB -0.701 28.975 29.700 -0.040 0.000 0.748 458 E HN 0.401 nan 8.360 nan 0.000 0.449 459 E N -0.436 119.721 120.200 -0.072 0.000 2.107 459 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 459 E C 1.827 178.396 176.600 -0.052 0.000 0.982 459 E CA 0.630 57.014 56.400 -0.027 0.000 0.809 459 E CB -0.148 29.565 29.700 0.022 0.000 0.756 459 E HN 0.285 nan 8.360 nan 0.000 0.459 460 F N 1.483 121.280 119.950 -0.256 0.000 2.126 460 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 460 F C 2.114 177.685 175.800 -0.381 0.000 1.096 460 F CA 2.057 59.751 58.000 -0.511 0.000 1.255 460 F CB -0.767 37.855 39.000 -0.631 0.000 0.997 460 F HN -0.070 nan 8.300 nan 0.000 0.479 461 T N 0.326 114.547 114.554 -0.556 0.000 2.746 461 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 461 T C 2.148 176.665 174.700 -0.304 0.000 1.039 461 T CA 1.914 63.708 62.100 -0.509 0.000 1.142 461 T CB -0.834 67.906 68.868 -0.213 0.000 0.866 461 T HN 0.564 nan 8.240 nan 0.000 0.444 462 E N 1.171 121.262 120.200 -0.180 0.000 2.085 462 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 462 E C 2.024 178.577 176.600 -0.078 0.000 0.994 462 E CA 1.379 57.729 56.400 -0.084 0.000 0.801 462 E CB -1.004 28.677 29.700 -0.032 0.000 0.743 462 E HN 0.675 nan 8.360 nan 0.000 0.453 463 I N -0.143 120.356 120.570 -0.117 0.000 2.315 463 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 463 I C 2.768 178.836 176.117 -0.081 0.000 1.117 463 I CA 1.227 62.501 61.300 -0.043 0.000 1.404 463 I CB -0.199 37.847 38.000 0.075 0.000 1.071 463 I HN 0.258 nan 8.210 nan 0.000 0.419 464 M N 0.260 119.694 119.600 -0.277 0.000 2.117 464 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 464 M C 2.003 178.278 176.300 -0.041 0.000 1.065 464 M CA 1.675 56.855 55.300 -0.200 0.000 1.114 464 M CB -1.513 30.840 32.600 -0.413 0.000 1.361 464 M HN 0.260 nan 8.290 nan 0.000 0.408 465 N N 0.451 119.119 118.700 -0.053 0.000 2.166 465 N HA -0.194 4.546 4.740 -0.000 0.000 0.186 465 N C 1.686 177.231 175.510 0.058 0.000 1.019 465 N CA 1.081 54.140 53.050 0.015 0.000 0.856 465 N CB -0.490 37.997 38.487 0.000 0.000 0.993 465 N HN 0.525 nan 8.380 nan 0.000 0.426 466 Q N 0.838 120.687 119.800 0.082 0.000 2.124 466 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 466 Q C 1.849 178.004 176.000 0.258 0.000 0.977 466 Q CA 1.015 56.941 55.803 0.204 0.000 0.850 466 Q CB 0.135 28.989 28.738 0.194 0.000 0.901 466 Q HN 0.310 nan 8.270 nan 0.000 0.429 467 R N 0.166 120.756 120.500 0.151 0.000 2.091 467 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 467 R C 2.134 178.526 176.300 0.153 0.000 1.136 467 R CA 1.746 57.930 56.100 0.139 0.000 0.959 467 R CB -0.155 30.197 30.300 0.087 0.000 0.856 467 R HN 0.430 nan 8.270 nan 0.000 0.437 468 E N 0.664 120.931 120.200 0.112 0.000 2.077 468 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 468 E C 2.141 178.783 176.600 0.069 0.000 0.989 468 E CA 1.069 57.519 56.400 0.084 0.000 0.800 468 E CB -0.016 29.717 29.700 0.055 0.000 0.746 468 E HN 0.419 nan 8.360 nan 0.000 0.452 469 Q N -0.391 119.427 119.800 0.031 0.000 2.124 469 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 469 Q C 1.502 177.356 176.000 -0.244 0.000 0.977 469 Q CA 1.145 56.870 55.803 -0.131 0.000 0.850 469 Q CB -0.003 28.603 28.738 -0.220 0.000 0.901 469 Q HN 0.259 nan 8.270 nan 0.000 0.429 470 F N -1.684 118.226 119.950 -0.067 0.000 2.749 470 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 470 F C 1.577 177.370 175.800 -0.012 0.000 1.103 470 F CA -0.311 57.587 58.000 -0.171 0.000 1.342 470 F CB 0.089 38.971 39.000 -0.197 0.000 1.098 470 F HN 0.060 nan 8.300 nan 0.000 0.586 471 Y N 0.893 121.247 120.300 0.090 0.000 2.102 471 Y HA -0.388 4.161 4.550 -0.000 0.000 0.280 471 Y C 2.743 178.721 175.900 0.130 0.000 1.178 471 Y CA 2.495 60.653 58.100 0.096 0.000 1.146 471 Y CB -0.949 37.521 38.460 0.016 0.000 0.968 471 Y HN 0.307 nan 8.280 nan 0.000 0.504 472 H N -2.024 117.265 119.070 0.364 0.000 2.652 472 H HA 0.608 5.164 4.556 -0.000 0.000 0.274 472 H C 1.291 176.705 175.328 0.142 0.000 1.021 472 H CA 0.403 56.630 56.048 0.298 0.000 1.187 472 H CB -0.957 28.901 29.762 0.159 0.000 1.505 472 H HN 0.304 nan 8.280 nan 0.000 0.530 473 K N 1.035 121.464 120.400 0.049 0.000 2.414 473 K HA 0.634 4.954 4.320 -0.000 0.000 0.272 473 K C 0.633 177.286 176.600 0.089 0.000 0.993 473 K CA 0.421 56.660 56.287 -0.079 0.000 0.964 473 K CB -0.124 32.087 32.500 -0.481 0.000 0.925 473 K HN 1.169 nan 8.250 nan 0.000 0.487 474 V N -1.884 118.065 119.914 0.060 0.000 3.155 474 V HA 0.653 4.773 4.120 -0.000 0.000 0.313 474 V C 0.389 176.622 176.094 0.232 0.000 1.162 474 V CA -0.747 61.596 62.300 0.072 0.000 1.048 474 V CB 1.958 33.681 31.823 -0.165 0.000 1.092 474 V HN 1.131 nan 8.190 nan 0.000 0.447 475 N N 0.984 119.762 118.700 0.131 0.000 2.696 475 N HA -0.193 4.547 4.740 -0.000 0.000 0.256 475 N C -0.919 174.733 175.510 0.236 0.000 1.031 475 N CA 1.407 54.523 53.050 0.110 0.000 0.730 475 N CB -0.900 37.631 38.487 0.073 0.000 0.894 475 N HN 1.228 nan 8.380 nan 0.000 0.544 476 F N -1.999 117.959 119.950 0.014 0.000 2.668 476 F HA 0.655 5.182 4.527 -0.000 0.000 0.309 476 F C -0.846 174.967 175.800 0.021 0.000 1.117 476 F CA -0.991 57.039 58.000 0.050 0.000 0.951 476 F CB 0.863 39.946 39.000 0.138 0.000 1.323 476 F HN -0.102 nan 8.300 nan 0.000 0.451 477 S N 2.732 118.417 115.700 -0.024 0.000 2.456 477 S HA 0.524 4.994 4.470 -0.000 0.000 0.316 477 S C -2.778 171.823 174.600 0.001 0.000 1.089 477 S CA -1.209 56.903 58.200 -0.148 0.000 1.101 477 S CB 1.145 64.323 63.200 -0.038 0.000 0.995 477 S HN 0.406 nan 8.310 nan 0.000 0.468 478 P HA 0.126 nan 4.420 nan 0.000 0.261 478 P C -2.249 175.014 177.300 -0.062 0.000 1.183 478 P CA -0.755 62.325 63.100 -0.034 0.000 0.761 478 P CB -0.322 31.347 31.700 -0.051 0.000 0.785 479 P HA 0.352 nan 4.420 nan 0.000 0.272 479 P C -0.126 177.128 177.300 -0.076 0.000 1.230 479 P CA 0.180 63.237 63.100 -0.071 0.000 0.788 479 P CB 0.781 32.440 31.700 -0.067 0.000 0.949 480 G N 0.236 108.999 108.800 -0.062 0.000 2.521 480 G HA2 0.055 4.014 3.960 -0.000 0.000 0.589 480 G HA3 0.055 4.014 3.960 -0.000 0.000 0.589 480 G C -1.603 173.233 174.900 -0.107 0.000 1.501 480 G CA -0.843 44.211 45.100 -0.076 0.000 0.887 480 G HN 0.638 nan 8.290 nan 0.000 0.654 481 D N 1.220 121.558 120.400 -0.103 0.000 2.339 481 D HA 0.433 5.073 4.640 -0.000 0.000 0.256 481 D C 2.054 178.246 176.300 -0.180 0.000 1.214 481 D CA 0.603 54.531 54.000 -0.120 0.000 0.877 481 D CB 1.157 41.905 40.800 -0.087 0.000 1.111 481 D HN 0.673 nan 8.370 nan 0.000 0.478 482 T N 0.147 114.550 114.554 -0.251 0.000 2.977 482 T HA -0.179 4.171 4.350 -0.000 0.000 0.271 482 T C 1.738 176.305 174.700 -0.222 0.000 1.105 482 T CA 1.470 63.351 62.100 -0.364 0.000 1.116 482 T CB -0.869 67.690 68.868 -0.515 0.000 0.878 482 T HN 0.385 nan 8.240 nan 0.000 0.509 483 N N 1.177 119.786 118.700 -0.151 0.000 2.453 483 N HA -0.010 4.730 4.740 -0.000 0.000 0.183 483 N C 2.013 177.456 175.510 -0.111 0.000 1.041 483 N CA 1.251 54.239 53.050 -0.104 0.000 0.900 483 N CB -0.839 37.603 38.487 -0.075 0.000 0.961 483 N HN 0.584 nan 8.380 nan 0.000 0.443 484 S N -0.429 115.188 115.700 -0.138 0.000 2.603 484 S HA 0.302 4.772 4.470 -0.000 0.000 0.220 484 S C 0.464 174.935 174.600 -0.216 0.000 0.967 484 S CA -0.185 57.919 58.200 -0.161 0.000 0.920 484 S CB -0.178 62.935 63.200 -0.145 0.000 0.773 484 S HN 0.526 nan 8.310 nan 0.000 0.529 485 L N 1.308 122.422 121.223 -0.182 0.000 2.379 485 L HA 0.435 4.775 4.340 -0.000 0.000 0.269 485 L C -0.199 176.616 176.870 -0.092 0.000 1.084 485 L CA -0.892 53.856 54.840 -0.152 0.000 0.802 485 L CB 0.355 42.366 42.059 -0.081 0.000 1.175 485 L HN 0.075 nan 8.230 nan 0.000 0.448 486 F N 1.762 121.745 119.950 0.055 0.000 2.553 486 F HA 0.150 4.677 4.527 -0.000 0.000 0.356 486 F C -1.663 174.152 175.800 0.024 0.000 1.142 486 F CA -1.821 56.209 58.000 0.049 0.000 1.322 486 F CB -0.491 38.562 39.000 0.088 0.000 1.126 486 F HN 0.202 nan 8.300 nan 0.000 0.599 487 P HA 0.138 nan 4.420 nan 0.000 0.264 487 P C 0.598 177.939 177.300 0.068 0.000 1.183 487 P CA 1.290 64.447 63.100 0.095 0.000 0.763 487 P CB 0.453 32.193 31.700 0.065 0.000 0.807 488 G N 1.400 110.199 108.800 -0.001 0.000 2.176 488 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 488 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 488 G C 0.225 175.084 174.900 -0.069 0.000 0.979 488 G CA 0.021 45.090 45.100 -0.053 0.000 0.641 488 G HN 0.589 nan 8.290 nan 0.000 0.530 489 T N 0.996 115.550 114.554 0.001 0.000 2.794 489 T HA 0.412 4.762 4.350 -0.000 0.000 0.296 489 T C 0.221 174.941 174.700 0.035 0.000 0.949 489 T CA -0.059 62.056 62.100 0.024 0.000 1.101 489 T CB 0.639 69.587 68.868 0.134 0.000 0.905 489 T HN 0.290 nan 8.240 nan 0.000 0.516 490 W N 3.726 125.009 121.300 -0.028 0.000 2.202 490 W HA 0.470 5.130 4.660 -0.000 0.000 0.332 490 W C 0.044 176.634 176.519 0.119 0.000 1.263 490 W CA -0.277 57.061 57.345 -0.012 0.000 1.223 490 W CB 0.345 29.734 29.460 -0.119 0.000 1.128 490 W HN 0.704 nan 8.180 nan 0.000 0.573 491 Y N 0.695 121.185 120.300 0.316 0.000 2.625 491 Y HA 0.617 5.167 4.550 -0.000 0.000 0.338 491 Y C -1.311 174.771 175.900 0.304 0.000 1.123 491 Y CA -2.193 56.053 58.100 0.244 0.000 1.046 491 Y CB 0.370 38.889 38.460 0.098 0.000 1.299 491 Y HN 0.217 nan 8.280 nan 0.000 0.464 492 L N 2.907 124.319 121.223 0.314 0.000 2.385 492 L HA 0.304 4.643 4.340 -0.000 0.000 0.281 492 L C 0.930 177.777 176.870 -0.038 0.000 1.106 492 L CA 0.641 55.461 54.840 -0.034 0.000 0.856 492 L CB 0.551 42.589 42.059 -0.035 0.000 1.186 492 L HN 1.003 nan 8.230 nan 0.000 0.453 493 E N 4.391 124.460 120.200 -0.218 0.000 2.140 493 E HA 0.051 4.401 4.350 -0.000 0.000 0.191 493 E C 0.186 176.676 176.600 -0.184 0.000 0.973 493 E CA 0.088 56.423 56.400 -0.107 0.000 0.829 493 E CB 0.458 30.061 29.700 -0.162 0.000 0.781 493 E HN 0.666 nan 8.360 nan 0.000 0.466 494 R N -0.529 119.785 120.500 -0.310 0.000 2.644 494 R HA 0.272 4.612 4.340 -0.000 0.000 0.257 494 R C -2.143 173.915 176.300 -0.404 0.000 1.082 494 R CA -0.509 55.380 56.100 -0.352 0.000 0.927 494 R CB 1.825 31.996 30.300 -0.216 0.000 1.258 494 R HN -0.070 nan 8.270 nan 0.000 0.459 495 V N 4.456 124.068 119.914 -0.503 0.000 2.347 495 V HA 0.269 4.389 4.120 -0.000 0.000 0.280 495 V C -0.105 175.884 176.094 -0.176 0.000 1.021 495 V CA -0.643 61.468 62.300 -0.314 0.000 0.847 495 V CB 1.137 32.776 31.823 -0.306 0.000 0.990 495 V HN 0.897 nan 8.190 nan 0.000 0.444 496 D N 3.378 123.721 120.400 -0.094 0.000 2.447 496 D HA 0.150 4.790 4.640 -0.000 0.000 0.265 496 D C 0.932 177.223 176.300 -0.015 0.000 1.250 496 D CA -0.557 53.415 54.000 -0.047 0.000 1.046 496 D CB 0.786 41.565 40.800 -0.035 0.000 1.095 496 D HN 0.384 nan 8.370 nan 0.000 0.555 497 E N -1.015 119.185 120.200 0.001 0.000 2.160 497 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 497 E C 1.298 177.913 176.600 0.025 0.000 0.991 497 E CA 1.381 57.788 56.400 0.011 0.000 0.810 497 E CB -0.359 29.350 29.700 0.015 0.000 0.742 497 E HN 0.404 nan 8.360 nan 0.000 0.466 498 Q N -0.744 119.080 119.800 0.041 0.000 2.222 498 Q HA 0.211 4.551 4.340 -0.000 0.000 0.206 498 Q C -0.519 175.575 176.000 0.157 0.000 0.877 498 Q CA 0.106 55.956 55.803 0.077 0.000 0.958 498 Q CB -0.131 28.639 28.738 0.054 0.000 1.075 498 Q HN 0.441 nan 8.270 nan 0.000 0.483 499 H N -1.430 117.661 119.070 0.035 0.000 3.080 499 H HA -0.188 4.368 4.556 -0.000 0.000 0.254 499 H C -0.633 174.707 175.328 0.019 0.000 1.179 499 H CA 0.091 56.166 56.048 0.044 0.000 1.144 499 H CB -0.322 29.475 29.762 0.059 0.000 1.261 499 H HN 0.200 nan 8.280 nan 0.000 0.333 500 R N 1.297 121.866 120.500 0.115 0.000 2.340 500 R HA 0.362 4.702 4.340 -0.000 0.000 0.300 500 R C 0.054 176.345 176.300 -0.016 0.000 1.069 500 R CA -0.398 55.734 56.100 0.052 0.000 0.984 500 R CB 0.902 31.216 30.300 0.024 0.000 1.003 500 R HN 0.177 nan 8.270 nan 0.000 0.459 501 R N 1.597 122.077 120.500 -0.035 0.000 2.312 501 R HA 0.312 4.652 4.340 -0.000 0.000 0.311 501 R C -0.083 176.018 176.300 -0.331 0.000 1.004 501 R CA -0.461 55.510 56.100 -0.215 0.000 0.902 501 R CB 1.225 31.415 30.300 -0.185 0.000 1.073 501 R HN 0.485 nan 8.270 nan 0.000 0.457 502 K N 2.902 123.018 120.400 -0.473 0.000 2.244 502 K HA 0.416 4.736 4.320 -0.000 0.000 0.260 502 K C -1.342 174.908 176.600 -0.583 0.000 0.951 502 K CA -0.546 55.527 56.287 -0.357 0.000 0.826 502 K CB 1.045 33.429 32.500 -0.193 0.000 1.108 502 K HN 0.521 nan 8.250 nan 0.000 0.433 503 Y N 0.145 120.424 120.300 -0.034 0.000 2.487 503 Y HA 0.713 5.263 4.550 -0.000 0.000 0.337 503 Y C 0.613 176.516 175.900 0.004 0.000 1.076 503 Y CA -0.660 57.432 58.100 -0.014 0.000 1.115 503 Y CB 2.589 41.095 38.460 0.077 0.000 1.235 503 Y HN 0.833 nan 8.280 nan 0.000 0.468 504 A N 2.318 125.026 122.820 -0.187 0.000 2.485 504 A HA 0.881 5.201 4.320 -0.000 0.000 0.292 504 A C -1.377 175.765 177.584 -0.736 0.000 1.147 504 A CA -1.036 50.737 52.037 -0.440 0.000 0.750 504 A CB 2.075 20.737 19.000 -0.563 0.000 1.331 504 A HN 0.750 nan 8.150 nan 0.000 0.419 505 R N 0.849 120.895 120.500 -0.757 0.000 2.513 505 R HA 0.386 4.726 4.340 -0.000 0.000 0.301 505 R C -0.623 175.519 176.300 -0.265 0.000 0.968 505 R CA -0.659 54.948 56.100 -0.821 0.000 0.872 505 R CB 1.386 30.700 30.300 -1.644 0.000 1.177 505 R HN 0.850 nan 8.270 nan 0.000 0.444 506 R N 4.769 125.252 120.500 -0.029 0.000 2.489 506 R HA 0.163 4.503 4.340 -0.000 0.000 0.287 506 R C -2.154 174.091 176.300 -0.092 0.000 1.053 506 R CA -1.304 54.797 56.100 0.001 0.000 1.036 506 R CB 0.596 30.907 30.300 0.018 0.000 0.966 506 R HN 0.389 nan 8.270 nan 0.000 0.432 507 P HA -0.032 nan 4.420 nan 0.000 0.265 507 P C -0.746 176.521 177.300 -0.055 0.000 1.187 507 P CA 0.180 63.233 63.100 -0.077 0.000 0.766 507 P CB 0.615 32.286 31.700 -0.048 0.000 0.820 508 V N 0.000 119.879 119.914 -0.058 0.000 2.409 508 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 508 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 508 V CB 0.000 31.813 31.823 -0.016 0.000 1.184 508 V HN 0.000 nan 8.190 nan 0.000 0.556