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 2q4g_1_W DATA FIRST_RESID 1 DATA SEQUENCE SLDIQSLDIQ CEELSDARWA ELLPLLQQCQ VVRLDDCGLT EARCKDISSA DATA SEQUENCE LRVNPALAEL NLRSNELGDV GVHCVLQGLQ TPSCKIQKLS LQNCCLTGAG DATA SEQUENCE CGVLSSTLRT LPTLQELHLS DNLLGDAGLQ LLCEGLLDPQ CRLEKLQLEY DATA SEQUENCE CSLSAASCEP LASVLRAKPD FKELTVSNND INEAGVRVLC QGLKDSPCQL DATA SEQUENCE EALKLESCGV TSDNCRDLCG IVASKASLRE LALGSNKLGD VGMAELCPGL DATA SEQUENCE LHPSSRLRTL WIWECGITAK GCGDLCRVLR AKESLKELSL AGNELGDEGA DATA SEQUENCE RLLCETLLEP GCQLESLWVK SCSFTAACCS HFSSVLAQNR FLLELQISNN DATA SEQUENCE RLEDAGVREL CQGLGQPGSV LRVLWLADCD VSDSSCSSLA ATLLANHSLR DATA SEQUENCE ELDLSNNCLG DAGILQLVES VRQPGCLLEQ LVLYDIYWSE EMEDRLQALE DATA SEQUENCE KDKPSLRVIS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.599 174.600 -0.002 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 2 L N 2.943 124.164 121.223 -0.002 0.000 2.676 2 L HA 0.626 4.966 4.340 -0.000 0.000 0.262 2 L C -2.141 174.728 176.870 -0.003 0.000 0.932 2 L CA -0.085 54.754 54.840 -0.002 0.000 0.932 2 L CB 2.021 44.079 42.059 -0.002 0.000 1.355 2 L HN 0.745 nan 8.230 nan 0.000 0.421 3 D N 5.446 125.844 120.400 -0.004 0.000 2.473 3 D HA 0.509 5.149 4.640 -0.000 0.000 0.253 3 D C -1.299 174.999 176.300 -0.004 0.000 1.233 3 D CA -0.006 53.991 54.000 -0.004 0.000 0.908 3 D CB 0.970 41.767 40.800 -0.005 0.000 1.170 3 D HN 0.427 nan 8.370 nan 0.000 0.558 4 I N 3.152 123.720 120.570 -0.003 0.000 2.418 4 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 4 I C -0.152 175.963 176.117 -0.003 0.000 1.008 4 I CA -0.662 60.636 61.300 -0.003 0.000 1.104 4 I CB 1.806 39.805 38.000 -0.002 0.000 1.264 4 I HN 0.194 nan 8.210 nan 0.000 0.438 5 Q N 4.517 124.315 119.800 -0.004 0.000 2.394 5 Q HA 0.676 5.016 4.340 -0.000 0.000 0.273 5 Q C -1.067 174.932 176.000 -0.001 0.000 1.089 5 Q CA -0.899 54.903 55.803 -0.003 0.000 0.812 5 Q CB 3.029 31.764 28.738 -0.005 0.000 1.353 5 Q HN 0.765 nan 8.270 nan 0.000 0.438 6 S N 1.120 116.822 115.700 0.002 0.000 2.540 6 S HA 0.776 5.246 4.470 -0.000 0.000 0.275 6 S C -1.494 173.112 174.600 0.010 0.000 1.123 6 S CA -0.811 57.392 58.200 0.005 0.000 0.907 6 S CB 1.758 64.961 63.200 0.005 0.000 1.081 6 S HN 0.474 nan 8.310 nan 0.000 0.476 7 L N 1.467 122.698 121.223 0.014 0.000 2.408 7 L HA 0.866 5.206 4.340 -0.000 0.000 0.268 7 L C -1.829 175.058 176.870 0.029 0.000 0.986 7 L CA -0.182 54.672 54.840 0.023 0.000 0.820 7 L CB 2.077 44.153 42.059 0.028 0.000 1.303 7 L HN 0.947 nan 8.230 nan 0.000 0.411 8 D N 5.032 125.451 120.400 0.032 0.000 2.472 8 D HA 0.305 4.945 4.640 -0.000 0.000 0.248 8 D C -1.070 175.251 176.300 0.036 0.000 1.271 8 D CA -0.106 53.913 54.000 0.032 0.000 0.888 8 D CB 0.263 41.078 40.800 0.025 0.000 1.337 8 D HN 0.503 nan 8.370 nan 0.000 0.526 9 I N 1.817 122.414 120.570 0.045 0.000 2.472 9 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 9 I C 0.282 176.418 176.117 0.032 0.000 1.016 9 I CA -0.339 60.987 61.300 0.042 0.000 1.348 9 I CB 1.248 39.282 38.000 0.057 0.000 1.417 9 I HN 0.142 nan 8.210 nan 0.000 0.521 10 Q N 4.391 124.205 119.800 0.024 0.000 2.285 10 Q HA 0.333 4.673 4.340 -0.000 0.000 0.269 10 Q C -0.697 175.308 176.000 0.009 0.000 1.030 10 Q CA -0.745 55.068 55.803 0.017 0.000 0.788 10 Q CB 2.188 30.937 28.738 0.019 0.000 1.266 10 Q HN 0.844 nan 8.270 nan 0.000 0.438 11 C N 1.860 121.160 119.300 0.000 0.000 4.300 11 C HA -0.154 4.306 4.460 -0.000 0.000 0.304 11 C C 0.065 175.050 174.990 -0.008 0.000 1.367 11 C CA 0.826 59.840 59.018 -0.007 0.000 2.032 11 C CB -2.095 25.644 27.740 -0.001 0.000 1.285 11 C HN 0.767 nan 8.230 nan 0.000 0.737 12 E N -0.322 119.870 120.200 -0.014 0.000 2.234 12 E HA 0.359 4.709 4.350 -0.000 0.000 0.266 12 E C -0.184 176.394 176.600 -0.037 0.000 0.877 12 E CA -0.445 55.946 56.400 -0.015 0.000 0.758 12 E CB 1.445 31.145 29.700 0.001 0.000 1.170 12 E HN 0.552 nan 8.360 nan 0.000 0.415 13 E N 4.083 124.260 120.200 -0.037 0.000 2.290 13 E HA 0.144 4.493 4.350 -0.000 0.000 0.277 13 E C -0.981 175.585 176.600 -0.057 0.000 1.035 13 E CA -0.193 56.173 56.400 -0.058 0.000 0.873 13 E CB 0.546 30.220 29.700 -0.044 0.000 1.029 13 E HN 0.364 nan 8.360 nan 0.000 0.419 14 L N 4.595 125.756 121.223 -0.104 0.000 2.280 14 L HA 0.271 4.611 4.340 -0.000 0.000 0.287 14 L C 0.393 177.216 176.870 -0.078 0.000 1.023 14 L CA -0.842 53.947 54.840 -0.085 0.000 0.819 14 L CB 1.438 43.395 42.059 -0.170 0.000 1.212 14 L HN 0.556 nan 8.230 nan 0.000 0.420 15 S N 0.429 116.127 115.700 -0.002 0.000 2.600 15 S HA 0.099 4.568 4.470 -0.000 0.000 0.265 15 S C 0.642 175.283 174.600 0.069 0.000 1.325 15 S CA -0.626 57.583 58.200 0.015 0.000 1.002 15 S CB 1.169 64.388 63.200 0.031 0.000 0.921 15 S HN 0.586 nan 8.310 nan 0.000 0.554 16 D N 1.554 121.995 120.400 0.068 0.000 2.117 16 D HA -0.065 4.575 4.640 -0.000 0.000 0.197 16 D C 2.277 178.680 176.300 0.172 0.000 0.987 16 D CA 1.783 55.865 54.000 0.138 0.000 0.829 16 D CB -1.006 39.849 40.800 0.092 0.000 0.961 16 D HN 0.698 nan 8.370 nan 0.000 0.460 17 A N 1.370 124.254 122.820 0.106 0.000 1.849 17 A HA -0.241 4.078 4.320 -0.000 0.000 0.217 17 A C 2.237 179.886 177.584 0.109 0.000 1.202 17 A CA 1.931 54.020 52.037 0.086 0.000 0.629 17 A CB -0.611 18.423 19.000 0.056 0.000 0.834 17 A HN 0.041 nan 8.150 nan 0.000 0.447 18 R N -1.323 119.248 120.500 0.118 0.000 2.139 18 R HA -0.166 4.173 4.340 -0.000 0.000 0.243 18 R C 1.957 178.396 176.300 0.230 0.000 1.145 18 R CA 1.487 57.668 56.100 0.135 0.000 0.976 18 R CB -0.569 29.802 30.300 0.118 0.000 0.866 18 R HN 0.854 nan 8.270 nan 0.000 0.449 19 W N 0.078 121.378 121.300 0.001 0.000 2.380 19 W HA -0.209 4.451 4.660 -0.000 0.000 0.317 19 W C 1.894 178.413 176.519 0.000 0.000 1.196 19 W CA 1.053 58.399 57.345 0.000 0.000 1.307 19 W CB -0.225 29.235 29.460 0.000 0.000 1.157 19 W HN 0.225 nan 8.180 nan 0.000 0.483 20 A N 0.642 123.488 122.820 0.043 0.000 1.978 20 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 20 A C 1.678 179.204 177.584 -0.096 0.000 1.170 20 A CA 2.055 54.032 52.037 -0.101 0.000 0.636 20 A CB -0.941 18.047 19.000 -0.021 0.000 0.810 20 A HN 0.526 nan 8.150 nan 0.000 0.448 21 E N -0.511 119.677 120.200 -0.020 0.000 2.153 21 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 21 E C 1.647 178.218 176.600 -0.048 0.000 0.988 21 E CA 1.047 57.437 56.400 -0.018 0.000 0.811 21 E CB -0.195 29.520 29.700 0.024 0.000 0.746 21 E HN 0.668 nan 8.360 nan 0.000 0.466 22 L N 0.498 121.678 121.223 -0.071 0.000 2.446 22 L HA -0.012 4.327 4.340 -0.000 0.000 0.219 22 L C 2.097 178.827 176.870 -0.234 0.000 1.116 22 L CA 0.050 54.828 54.840 -0.103 0.000 0.844 22 L CB -0.064 41.988 42.059 -0.013 0.000 0.970 22 L HN 0.140 nan 8.230 nan 0.000 0.457 23 L N 0.259 121.276 121.223 -0.344 0.000 2.079 23 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 23 L C -0.246 176.503 176.870 -0.201 0.000 1.081 23 L CA 1.410 56.034 54.840 -0.360 0.000 0.752 23 L CB -1.720 40.113 42.059 -0.376 0.000 0.896 23 L HN 0.251 nan 8.230 nan 0.000 0.433 24 P HA -0.145 nan 4.420 nan 0.000 0.218 24 P C 1.923 179.175 177.300 -0.079 0.000 1.149 24 P CA 1.186 64.230 63.100 -0.092 0.000 0.817 24 P CB 0.116 31.775 31.700 -0.067 0.000 0.785 25 L N -1.469 119.706 121.223 -0.081 0.000 2.093 25 L HA -0.113 4.226 4.340 -0.000 0.000 0.208 25 L C 2.314 179.146 176.870 -0.062 0.000 1.085 25 L CA 1.141 55.947 54.840 -0.057 0.000 0.755 25 L CB -0.884 41.151 42.059 -0.040 0.000 0.904 25 L HN -0.020 nan 8.230 nan 0.000 0.435 26 L N -0.616 120.548 121.223 -0.099 0.000 2.131 26 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 26 L C 2.468 179.296 176.870 -0.069 0.000 1.092 26 L CA 1.199 55.985 54.840 -0.090 0.000 0.759 26 L CB -0.445 41.524 42.059 -0.149 0.000 0.903 26 L HN 0.391 nan 8.230 nan 0.000 0.435 27 Q N -0.732 119.023 119.800 -0.075 0.000 2.378 27 Q HA -0.128 4.212 4.340 -0.000 0.000 0.205 27 Q C 1.789 177.765 176.000 -0.040 0.000 0.954 27 Q CA 0.799 56.568 55.803 -0.056 0.000 0.901 27 Q CB 0.183 28.885 28.738 -0.060 0.000 0.981 27 Q HN 0.599 nan 8.270 nan 0.000 0.483 28 Q N -1.035 118.741 119.800 -0.039 0.000 2.391 28 Q HA 0.118 4.458 4.340 -0.000 0.000 0.243 28 Q C 0.149 176.137 176.000 -0.021 0.000 0.874 28 Q CA -0.133 55.653 55.803 -0.028 0.000 0.950 28 Q CB 1.030 29.752 28.738 -0.027 0.000 1.103 28 Q HN 0.185 nan 8.270 nan 0.000 0.544 29 C N 2.013 121.300 119.300 -0.021 0.000 2.585 29 C HA 0.094 4.553 4.460 -0.000 0.000 0.406 29 C C 1.558 176.541 174.990 -0.011 0.000 1.312 29 C CA -0.167 58.843 59.018 -0.014 0.000 1.924 29 C CB 0.534 28.268 27.740 -0.010 0.000 2.578 29 C HN 0.515 nan 8.230 nan 0.000 0.580 30 Q N 1.212 121.007 119.800 -0.009 0.000 2.311 30 Q HA 0.070 4.410 4.340 -0.000 0.000 0.203 30 Q C -0.068 175.928 176.000 -0.008 0.000 0.954 30 Q CA 0.879 56.677 55.803 -0.008 0.000 0.885 30 Q CB 0.255 28.989 28.738 -0.007 0.000 0.963 30 Q HN 0.656 nan 8.270 nan 0.000 0.471 31 V N 1.121 121.033 119.914 -0.005 0.000 2.482 31 V HA 0.341 4.461 4.120 -0.000 0.000 0.295 31 V C -0.873 175.223 176.094 0.003 0.000 1.026 31 V CA -0.652 61.646 62.300 -0.003 0.000 0.856 31 V CB 1.946 33.768 31.823 -0.002 0.000 1.001 31 V HN -0.200 nan 8.190 nan 0.000 0.424 32 V N 5.560 125.478 119.914 0.006 0.000 2.577 32 V HA 0.638 4.758 4.120 -0.000 0.000 0.303 32 V C -0.294 175.814 176.094 0.024 0.000 1.042 32 V CA -0.698 61.613 62.300 0.019 0.000 0.872 32 V CB 2.223 34.059 31.823 0.021 0.000 0.998 32 V HN 0.862 nan 8.190 nan 0.000 0.423 33 R N 4.860 125.380 120.500 0.033 0.000 2.500 33 R HA 0.593 4.933 4.340 -0.000 0.000 0.299 33 R C -1.701 174.628 176.300 0.048 0.000 1.038 33 R CA -0.596 55.524 56.100 0.033 0.000 0.903 33 R CB 1.327 31.641 30.300 0.022 0.000 1.177 33 R HN 0.732 nan 8.270 nan 0.000 0.455 34 L N 4.205 125.462 121.223 0.057 0.000 2.709 34 L HA 0.291 4.630 4.340 -0.000 0.000 0.236 34 L C -0.307 176.582 176.870 0.031 0.000 1.266 34 L CA -0.505 54.371 54.840 0.061 0.000 0.987 34 L CB 1.038 43.159 42.059 0.102 0.000 1.306 34 L HN 0.517 nan 8.230 nan 0.000 0.467 35 D N 2.893 123.307 120.400 0.024 0.000 2.338 35 D HA -0.041 4.598 4.640 -0.000 0.000 0.255 35 D C 0.306 176.608 176.300 0.003 0.000 1.237 35 D CA 0.443 54.452 54.000 0.015 0.000 0.883 35 D CB 0.736 41.547 40.800 0.018 0.000 1.087 35 D HN 0.379 nan 8.370 nan 0.000 0.485 36 D N 3.130 123.526 120.400 -0.007 0.000 2.746 36 D HA -0.205 4.435 4.640 -0.000 0.000 0.241 36 D C -0.092 176.189 176.300 -0.032 0.000 1.140 36 D CA 0.207 54.196 54.000 -0.019 0.000 0.707 36 D CB -1.216 39.576 40.800 -0.014 0.000 1.034 36 D HN 0.370 nan 8.370 nan 0.000 0.423 37 C N 0.299 119.570 119.300 -0.049 0.000 3.000 37 C HA 0.533 4.992 4.460 -0.000 0.000 0.286 37 C C 1.942 176.852 174.990 -0.133 0.000 1.343 37 C CA 0.255 59.224 59.018 -0.081 0.000 1.742 37 C CB -0.404 27.286 27.740 -0.082 0.000 2.200 37 C HN 0.842 nan 8.230 nan 0.000 0.621 38 G N 1.460 110.196 108.800 -0.106 0.000 2.155 38 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 38 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 38 G C 0.149 174.955 174.900 -0.156 0.000 0.983 38 G CA -0.082 44.947 45.100 -0.119 0.000 0.676 38 G HN 0.583 nan 8.290 nan 0.000 0.528 39 L N 1.374 122.498 121.223 -0.166 0.000 2.593 39 L HA 0.303 4.643 4.340 -0.000 0.000 0.287 39 L C 1.464 178.270 176.870 -0.106 0.000 1.243 39 L CA 1.144 55.878 54.840 -0.176 0.000 0.890 39 L CB 0.194 42.193 42.059 -0.101 0.000 1.134 39 L HN 0.489 nan 8.230 nan 0.000 0.502 40 T N -2.024 112.470 114.554 -0.101 0.000 2.950 40 T HA 0.179 4.529 4.350 -0.000 0.000 0.288 40 T C 0.746 175.439 174.700 -0.012 0.000 1.035 40 T CA -0.875 61.193 62.100 -0.053 0.000 1.028 40 T CB 2.181 71.012 68.868 -0.061 0.000 1.109 40 T HN 0.591 nan 8.240 nan 0.000 0.514 41 E N 1.059 121.259 120.200 0.000 0.000 2.097 41 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 41 E C 2.171 178.787 176.600 0.027 0.000 1.000 41 E CA 2.009 58.420 56.400 0.018 0.000 0.804 41 E CB -0.865 28.845 29.700 0.015 0.000 0.740 41 E HN 0.806 nan 8.360 nan 0.000 0.454 42 A N 1.717 124.549 122.820 0.019 0.000 1.849 42 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 42 A C 2.286 179.912 177.584 0.070 0.000 1.202 42 A CA 2.305 54.361 52.037 0.033 0.000 0.629 42 A CB -0.816 18.196 19.000 0.020 0.000 0.834 42 A HN 0.342 nan 8.150 nan 0.000 0.447 43 R N -1.110 119.435 120.500 0.075 0.000 2.303 43 R HA -0.111 4.229 4.340 -0.000 0.000 0.225 43 R C 1.721 178.159 176.300 0.231 0.000 1.114 43 R CA 0.974 57.188 56.100 0.189 0.000 1.007 43 R CB -0.899 29.427 30.300 0.043 0.000 0.861 43 R HN 0.589 nan 8.270 nan 0.000 0.471 44 C N 0.597 119.975 119.300 0.130 0.000 2.491 44 C HA 0.018 4.478 4.460 -0.000 0.000 0.277 44 C C 1.893 176.941 174.990 0.098 0.000 1.455 44 C CA 0.451 59.539 59.018 0.118 0.000 1.758 44 C CB -0.615 27.170 27.740 0.076 0.000 1.745 44 C HN 0.448 nan 8.230 nan 0.000 0.558 45 K N 0.516 120.973 120.400 0.094 0.000 2.137 45 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 45 K C 1.390 178.024 176.600 0.057 0.000 1.052 45 K CA 0.938 57.260 56.287 0.059 0.000 0.961 45 K CB -0.092 32.436 32.500 0.046 0.000 0.741 45 K HN 0.404 nan 8.250 nan 0.000 0.452 46 D N 1.396 121.855 120.400 0.098 0.000 2.117 46 D HA -0.106 4.533 4.640 -0.000 0.000 0.198 46 D C 1.921 178.207 176.300 -0.024 0.000 0.982 46 D CA 1.034 55.044 54.000 0.017 0.000 0.828 46 D CB -0.132 40.661 40.800 -0.011 0.000 0.967 46 D HN 0.134 nan 8.370 nan 0.000 0.464 47 I N 0.560 121.167 120.570 0.060 0.000 2.226 47 I HA -0.256 3.913 4.170 -0.000 0.000 0.245 47 I C 2.557 178.684 176.117 0.017 0.000 1.100 47 I CA 0.755 62.078 61.300 0.038 0.000 1.374 47 I CB -0.206 37.870 38.000 0.126 0.000 1.057 47 I HN -0.059 nan 8.210 nan 0.000 0.413 48 S N 0.270 115.989 115.700 0.031 0.000 2.353 48 S HA -0.204 4.266 4.470 -0.000 0.000 0.222 48 S C 2.256 176.855 174.600 -0.001 0.000 1.035 48 S CA 2.217 60.429 58.200 0.019 0.000 1.025 48 S CB -0.167 63.045 63.200 0.021 0.000 0.902 48 S HN 0.415 nan 8.310 nan 0.000 0.440 49 S N 1.338 117.032 115.700 -0.011 0.000 2.368 49 S HA 0.025 4.495 4.470 -0.000 0.000 0.225 49 S C 2.220 176.797 174.600 -0.037 0.000 1.030 49 S CA 1.065 59.251 58.200 -0.024 0.000 0.999 49 S CB -0.698 62.485 63.200 -0.028 0.000 0.844 49 S HN 0.693 nan 8.310 nan 0.000 0.459 50 A N 1.631 124.417 122.820 -0.057 0.000 1.902 50 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 50 A C 2.091 179.646 177.584 -0.048 0.000 1.181 50 A CA 1.098 53.092 52.037 -0.073 0.000 0.623 50 A CB -0.737 18.190 19.000 -0.121 0.000 0.818 50 A HN 0.452 nan 8.150 nan 0.000 0.443 51 L N -1.003 120.201 121.223 -0.032 0.000 2.141 51 L HA -0.138 4.201 4.340 -0.000 0.000 0.209 51 L C 2.707 179.569 176.870 -0.014 0.000 1.094 51 L CA 1.475 56.303 54.840 -0.018 0.000 0.763 51 L CB -0.550 41.507 42.059 -0.004 0.000 0.908 51 L HN 0.491 nan 8.230 nan 0.000 0.437 52 R N 0.962 121.455 120.500 -0.013 0.000 2.159 52 R HA -0.132 4.207 4.340 -0.000 0.000 0.237 52 R C 1.533 177.825 176.300 -0.013 0.000 1.131 52 R CA 1.667 57.761 56.100 -0.010 0.000 0.982 52 R CB 0.032 30.326 30.300 -0.009 0.000 0.868 52 R HN 0.411 nan 8.270 nan 0.000 0.453 53 V N -1.450 118.452 119.914 -0.020 0.000 3.271 53 V HA 0.266 4.386 4.120 -0.000 0.000 0.327 53 V C -0.218 175.863 176.094 -0.022 0.000 1.389 53 V CA -0.597 61.691 62.300 -0.021 0.000 1.156 53 V CB 0.023 31.831 31.823 -0.026 0.000 1.103 53 V HN 0.110 nan 8.190 nan 0.000 0.453 54 N N 3.314 122.002 118.700 -0.020 0.000 2.678 54 N HA 0.377 5.116 4.740 -0.000 0.000 0.231 54 N C -1.767 173.735 175.510 -0.014 0.000 1.038 54 N CA -1.801 51.237 53.050 -0.020 0.000 0.932 54 N CB 1.802 40.276 38.487 -0.022 0.000 1.176 54 N HN 0.302 nan 8.380 nan 0.000 0.511 55 P HA 0.107 nan 4.420 nan 0.000 0.253 55 P C 0.267 177.561 177.300 -0.009 0.000 1.281 55 P CA 0.227 63.321 63.100 -0.009 0.000 0.792 55 P CB 0.418 32.113 31.700 -0.009 0.000 1.193 56 A N -0.336 122.477 122.820 -0.010 0.000 2.026 56 A HA 0.161 4.481 4.320 -0.000 0.000 0.201 56 A C 0.855 178.433 177.584 -0.009 0.000 1.318 56 A CA -0.104 51.927 52.037 -0.010 0.000 0.857 56 A CB -0.800 18.194 19.000 -0.011 0.000 0.939 56 A HN 0.203 nan 8.150 nan 0.000 0.476 57 L N 0.844 122.061 121.223 -0.010 0.000 2.776 57 L HA 0.098 4.438 4.340 -0.000 0.000 0.283 57 L C 1.025 177.889 176.870 -0.010 0.000 1.194 57 L CA 1.013 55.847 54.840 -0.010 0.000 0.947 57 L CB 0.586 42.640 42.059 -0.009 0.000 1.255 57 L HN 0.332 nan 8.230 nan 0.000 0.481 58 A N 4.137 126.950 122.820 -0.011 0.000 2.312 58 A HA 0.261 4.580 4.320 -0.000 0.000 0.215 58 A C 0.485 178.057 177.584 -0.020 0.000 1.256 58 A CA 0.270 52.299 52.037 -0.014 0.000 0.966 58 A CB 0.080 19.072 19.000 -0.013 0.000 1.053 58 A HN 0.710 nan 8.150 nan 0.000 0.510 59 E N -0.102 120.087 120.200 -0.019 0.000 2.274 59 E HA 0.525 4.875 4.350 -0.000 0.000 0.269 59 E C -2.180 174.408 176.600 -0.021 0.000 0.891 59 E CA -0.578 55.805 56.400 -0.028 0.000 0.784 59 E CB 1.469 31.151 29.700 -0.030 0.000 1.225 59 E HN 0.135 nan 8.360 nan 0.000 0.412 60 L N 4.723 125.931 121.223 -0.025 0.000 2.349 60 L HA 0.582 4.921 4.340 -0.000 0.000 0.278 60 L C -1.728 175.130 176.870 -0.020 0.000 0.996 60 L CA -0.406 54.428 54.840 -0.011 0.000 0.825 60 L CB 1.662 43.721 42.059 -0.001 0.000 1.243 60 L HN 0.565 nan 8.230 nan 0.000 0.412 61 N N 5.672 124.369 118.700 -0.006 0.000 2.504 61 N HA 0.360 5.100 4.740 -0.000 0.000 0.280 61 N C -1.149 174.371 175.510 0.017 0.000 1.052 61 N CA -0.309 52.736 53.050 -0.007 0.000 0.887 61 N CB 1.306 39.785 38.487 -0.013 0.000 1.323 61 N HN 0.754 nan 8.380 nan 0.000 0.509 62 L N 2.797 124.033 121.223 0.021 0.000 3.141 62 L HA 0.386 4.725 4.340 -0.000 0.000 0.263 62 L C 1.006 177.891 176.870 0.025 0.000 1.312 62 L CA -0.491 54.367 54.840 0.030 0.000 1.012 62 L CB 0.072 42.153 42.059 0.037 0.000 1.408 62 L HN 0.275 nan 8.230 nan 0.000 0.559 63 R N 0.497 121.012 120.500 0.025 0.000 2.623 63 R HA 0.051 4.391 4.340 -0.000 0.000 0.271 63 R C 0.467 176.776 176.300 0.015 0.000 1.043 63 R CA 0.431 56.547 56.100 0.027 0.000 1.083 63 R CB 0.404 30.725 30.300 0.035 0.000 0.974 63 R HN 0.312 nan 8.270 nan 0.000 0.436 64 S N 2.550 118.256 115.700 0.010 0.000 3.572 64 S HA -0.155 4.315 4.470 -0.000 0.000 0.394 64 S C -1.183 173.410 174.600 -0.011 0.000 0.923 64 S CA 0.777 58.975 58.200 -0.003 0.000 1.291 64 S CB -1.171 62.026 63.200 -0.007 0.000 0.914 64 S HN 0.762 nan 8.310 nan 0.000 0.545 65 N N 1.030 119.724 118.700 -0.009 0.000 2.235 65 N HA 0.167 4.907 4.740 -0.000 0.000 0.293 65 N C -0.722 174.779 175.510 -0.014 0.000 1.083 65 N CA -0.672 52.367 53.050 -0.019 0.000 0.801 65 N CB 1.430 39.907 38.487 -0.017 0.000 1.559 65 N HN 0.344 nan 8.380 nan 0.000 0.472 66 E N 2.150 122.337 120.200 -0.022 0.000 1.972 66 E HA 0.118 4.467 4.350 -0.000 0.000 0.292 66 E C 0.992 177.587 176.600 -0.008 0.000 1.193 66 E CA -0.002 56.388 56.400 -0.016 0.000 1.228 66 E CB 0.089 29.776 29.700 -0.022 0.000 1.167 66 E HN 0.403 nan 8.360 nan 0.000 0.479 67 L N 0.783 122.008 121.223 0.003 0.000 2.240 67 L HA 0.050 4.390 4.340 -0.000 0.000 0.211 67 L C 1.306 178.189 176.870 0.021 0.000 1.106 67 L CA 0.499 55.348 54.840 0.015 0.000 0.793 67 L CB -0.765 41.310 42.059 0.027 0.000 0.927 67 L HN 0.568 nan 8.230 nan 0.000 0.446 68 G N 0.522 109.332 108.800 0.017 0.000 2.877 68 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.279 68 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.279 68 G C 0.069 174.988 174.900 0.032 0.000 1.431 68 G CA -0.027 45.085 45.100 0.020 0.000 0.883 68 G HN 0.203 nan 8.290 nan 0.000 0.547 69 D N -0.766 119.654 120.400 0.034 0.000 2.178 69 D HA -0.054 4.586 4.640 -0.000 0.000 0.202 69 D C 2.685 179.034 176.300 0.081 0.000 0.974 69 D CA 1.511 55.536 54.000 0.043 0.000 0.841 69 D CB -0.059 40.759 40.800 0.031 0.000 0.953 69 D HN 0.276 nan 8.370 nan 0.000 0.478 70 V N 0.985 120.947 119.914 0.080 0.000 2.379 70 V HA -0.087 4.033 4.120 -0.000 0.000 0.245 70 V C 2.595 178.746 176.094 0.095 0.000 1.044 70 V CA 1.825 64.186 62.300 0.102 0.000 1.036 70 V CB -0.887 30.969 31.823 0.056 0.000 0.664 70 V HN 0.187 nan 8.190 nan 0.000 0.453 71 G N 0.155 108.994 108.800 0.065 0.000 2.459 71 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 71 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 71 G C 1.697 176.644 174.900 0.078 0.000 1.183 71 G CA 1.302 46.437 45.100 0.059 0.000 0.776 71 G HN 0.351 nan 8.290 nan 0.000 0.552 72 V N 0.321 120.282 119.914 0.078 0.000 2.392 72 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 72 V C 2.362 178.530 176.094 0.123 0.000 1.059 72 V CA 2.375 64.722 62.300 0.078 0.000 1.051 72 V CB -0.776 31.078 31.823 0.052 0.000 0.658 72 V HN 0.646 nan 8.190 nan 0.000 0.455 73 H N -1.524 117.557 119.070 0.019 0.000 2.319 73 H HA -0.266 4.290 4.556 -0.000 0.000 0.299 73 H C 2.480 177.819 175.328 0.019 0.000 1.092 73 H CA 1.850 57.908 56.048 0.017 0.000 1.302 73 H CB 0.004 29.774 29.762 0.015 0.000 1.373 73 H HN 0.518 nan 8.280 nan 0.000 0.497 74 C N 0.034 119.402 119.300 0.114 0.000 2.440 74 C HA -0.084 4.375 4.460 -0.000 0.000 0.278 74 C C 2.791 177.817 174.990 0.059 0.000 1.295 74 C CA 0.947 59.984 59.018 0.032 0.000 1.738 74 C CB -1.058 26.692 27.740 0.016 0.000 1.987 74 C HN 0.490 nan 8.230 nan 0.000 0.492 75 V N 1.124 121.083 119.914 0.075 0.000 2.358 75 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 75 V C 2.393 178.524 176.094 0.062 0.000 1.047 75 V CA 2.059 64.398 62.300 0.064 0.000 1.035 75 V CB -0.613 31.248 31.823 0.063 0.000 0.658 75 V HN 0.576 nan 8.190 nan 0.000 0.452 76 L N -0.548 120.723 121.223 0.081 0.000 2.141 76 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 76 L C 2.623 179.538 176.870 0.075 0.000 1.094 76 L CA 1.465 56.349 54.840 0.072 0.000 0.763 76 L CB -0.639 41.464 42.059 0.074 0.000 0.908 76 L HN 0.376 nan 8.230 nan 0.000 0.437 77 Q N -0.114 119.743 119.800 0.095 0.000 2.226 77 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 77 Q C 2.305 178.328 176.000 0.038 0.000 0.975 77 Q CA 1.248 57.092 55.803 0.068 0.000 0.866 77 Q CB -0.333 28.434 28.738 0.047 0.000 0.915 77 Q HN 0.605 nan 8.270 nan 0.000 0.440 78 G N 0.766 109.586 108.800 0.034 0.000 2.448 78 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 78 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 78 G C 1.212 176.122 174.900 0.017 0.000 1.127 78 G CA 0.295 45.407 45.100 0.020 0.000 0.766 78 G HN 0.221 nan 8.290 nan 0.000 0.552 79 L N 0.118 121.354 121.223 0.022 0.000 2.610 79 L HA 0.086 4.425 4.340 -0.000 0.000 0.232 79 L C 2.399 179.279 176.870 0.016 0.000 1.149 79 L CA 0.166 55.016 54.840 0.017 0.000 0.872 79 L CB -0.033 42.037 42.059 0.019 0.000 0.992 79 L HN 0.295 nan 8.230 nan 0.000 0.447 80 Q N -0.683 119.128 119.800 0.018 0.000 2.444 80 Q HA 0.035 4.374 4.340 -0.000 0.000 0.206 80 Q C 0.304 176.310 176.000 0.010 0.000 0.948 80 Q CA 0.114 55.927 55.803 0.017 0.000 0.946 80 Q CB 0.074 28.826 28.738 0.022 0.000 1.027 80 Q HN 0.329 nan 8.270 nan 0.000 0.513 81 T N 2.610 117.168 114.554 0.007 0.000 2.853 81 T HA 0.019 4.369 4.350 -0.000 0.000 0.298 81 T C -1.710 172.992 174.700 0.003 0.000 0.978 81 T CA -1.059 61.043 62.100 0.003 0.000 1.152 81 T CB 0.875 69.742 68.868 -0.001 0.000 0.914 81 T HN 0.042 nan 8.240 nan 0.000 0.539 82 P HA -0.160 nan 4.420 nan 0.000 0.218 82 P C 1.266 178.567 177.300 0.002 0.000 1.150 82 P CA 1.085 64.186 63.100 0.003 0.000 0.841 82 P CB 0.062 31.763 31.700 0.002 0.000 0.784 83 S N -3.354 112.346 115.700 -0.000 0.000 2.614 83 S HA 0.104 4.574 4.470 -0.000 0.000 0.230 83 S C 0.625 175.224 174.600 -0.002 0.000 0.952 83 S CA -0.677 57.522 58.200 -0.001 0.000 0.949 83 S CB -1.369 61.830 63.200 -0.003 0.000 0.786 83 S HN 0.131 nan 8.310 nan 0.000 0.478 84 C N 3.078 122.378 119.300 -0.001 0.000 2.605 84 C HA 0.555 5.015 4.460 -0.000 0.000 0.404 84 C C 0.986 175.975 174.990 -0.001 0.000 1.284 84 C CA -0.493 58.524 59.018 -0.001 0.000 2.199 84 C CB 0.140 27.881 27.740 0.001 0.000 2.647 84 C HN 0.749 nan 8.230 nan 0.000 0.604 85 K N 5.206 125.604 120.400 -0.003 0.000 3.012 85 K HA 0.282 4.601 4.320 -0.000 0.000 0.207 85 K C -0.106 176.490 176.600 -0.006 0.000 1.130 85 K CA -0.353 55.932 56.287 -0.003 0.000 1.021 85 K CB 0.034 32.532 32.500 -0.004 0.000 0.736 85 K HN 0.726 nan 8.250 nan 0.000 0.448 86 I N 2.322 122.889 120.570 -0.005 0.000 2.741 86 I HA -0.152 4.018 4.170 -0.000 0.000 0.288 86 I C 0.608 176.717 176.117 -0.012 0.000 1.192 86 I CA 0.591 61.885 61.300 -0.009 0.000 1.426 86 I CB 0.766 38.762 38.000 -0.007 0.000 1.367 86 I HN 0.470 nan 8.210 nan 0.000 0.563 87 Q N 5.988 125.776 119.800 -0.019 0.000 2.396 87 Q HA 0.204 4.544 4.340 -0.000 0.000 0.220 87 Q C -0.273 175.706 176.000 -0.036 0.000 0.900 87 Q CA 0.450 56.239 55.803 -0.023 0.000 0.925 87 Q CB 0.546 29.270 28.738 -0.023 0.000 1.065 87 Q HN 0.570 nan 8.270 nan 0.000 0.535 88 K N 0.647 121.019 120.400 -0.047 0.000 2.375 88 K HA 0.627 4.947 4.320 -0.000 0.000 0.249 88 K C -1.588 174.966 176.600 -0.078 0.000 0.942 88 K CA -0.912 55.327 56.287 -0.079 0.000 0.806 88 K CB 2.501 34.944 32.500 -0.096 0.000 1.227 88 K HN -0.157 nan 8.250 nan 0.000 0.430 89 L N 0.537 121.694 121.223 -0.110 0.000 2.614 89 L HA 0.326 4.666 4.340 -0.000 0.000 0.264 89 L C -1.623 175.179 176.870 -0.112 0.000 0.940 89 L CA -0.051 54.741 54.840 -0.080 0.000 0.903 89 L CB 2.153 44.192 42.059 -0.033 0.000 1.306 89 L HN 0.632 nan 8.230 nan 0.000 0.410 90 S N 5.120 120.765 115.700 -0.091 0.000 2.502 90 S HA 0.778 5.247 4.470 -0.000 0.000 0.304 90 S C -0.451 174.155 174.600 0.011 0.000 1.097 90 S CA -0.500 57.668 58.200 -0.055 0.000 1.045 90 S CB 0.990 64.145 63.200 -0.076 0.000 1.019 90 S HN 0.699 nan 8.310 nan 0.000 0.481 91 L N 3.954 125.204 121.223 0.045 0.000 3.291 91 L HA 0.383 4.723 4.340 -0.000 0.000 0.307 91 L C 0.408 177.310 176.870 0.055 0.000 1.303 91 L CA -0.253 54.614 54.840 0.044 0.000 0.949 91 L CB 0.587 42.670 42.059 0.040 0.000 1.375 91 L HN 0.659 nan 8.230 nan 0.000 0.596 92 Q N 1.449 121.291 119.800 0.071 0.000 2.311 92 Q HA -0.016 4.324 4.340 -0.000 0.000 0.272 92 Q C 0.536 176.560 176.000 0.040 0.000 1.012 92 Q CA 0.261 56.106 55.803 0.071 0.000 0.891 92 Q CB 0.406 29.201 28.738 0.095 0.000 1.201 92 Q HN 0.290 nan 8.270 nan 0.000 0.391 93 N N 2.595 121.312 118.700 0.027 0.000 2.696 93 N HA -0.195 4.544 4.740 -0.000 0.000 0.256 93 N C -1.348 174.165 175.510 0.005 0.000 1.031 93 N CA 0.695 53.748 53.050 0.005 0.000 0.730 93 N CB -1.282 37.201 38.487 -0.007 0.000 0.894 93 N HN 0.603 nan 8.380 nan 0.000 0.544 94 C N 0.039 119.346 119.300 0.012 0.000 3.115 94 C HA 0.344 4.804 4.460 -0.000 0.000 0.277 94 C C 1.067 176.062 174.990 0.009 0.000 1.460 94 C CA 0.073 59.098 59.018 0.011 0.000 1.789 94 C CB -1.692 26.061 27.740 0.021 0.000 2.674 94 C HN 0.836 nan 8.230 nan 0.000 0.582 95 C N 0.877 120.179 119.300 0.004 0.000 4.454 95 C HA -0.193 4.267 4.460 -0.000 0.000 0.298 95 C C 0.160 175.155 174.990 0.009 0.000 1.384 95 C CA -0.029 58.990 59.018 0.003 0.000 2.002 95 C CB -3.060 24.680 27.740 -0.001 0.000 1.249 95 C HN 0.703 nan 8.230 nan 0.000 0.783 96 L N 1.895 123.126 121.223 0.014 0.000 2.326 96 L HA 0.737 5.077 4.340 -0.000 0.000 0.278 96 L C 0.728 177.606 176.870 0.013 0.000 1.092 96 L CA 1.238 56.088 54.840 0.016 0.000 0.810 96 L CB 1.198 43.269 42.059 0.020 0.000 1.153 96 L HN 0.526 nan 8.230 nan 0.000 0.439 97 T N 0.456 115.016 114.554 0.010 0.000 2.807 97 T HA 0.509 4.859 4.350 -0.000 0.000 0.277 97 T C 1.008 175.712 174.700 0.006 0.000 1.006 97 T CA -0.235 61.870 62.100 0.009 0.000 1.006 97 T CB 0.916 69.789 68.868 0.007 0.000 1.274 97 T HN 0.604 nan 8.240 nan 0.000 0.569 98 G N -0.124 108.679 108.800 0.005 0.000 2.448 98 G HA2 0.066 4.026 3.960 -0.000 0.000 0.219 98 G HA3 0.066 4.026 3.960 -0.000 0.000 0.219 98 G C 1.531 176.428 174.900 -0.004 0.000 1.127 98 G CA 0.659 45.760 45.100 0.001 0.000 0.766 98 G HN 1.169 nan 8.290 nan 0.000 0.552 99 A N 0.208 123.026 122.820 -0.003 0.000 2.248 99 A HA 0.373 4.693 4.320 -0.000 0.000 0.210 99 A C 2.238 179.812 177.584 -0.016 0.000 1.174 99 A CA 1.535 53.569 52.037 -0.005 0.000 0.750 99 A CB -0.228 18.774 19.000 0.003 0.000 0.780 99 A HN 0.479 nan 8.150 nan 0.000 0.478 100 G N -2.404 106.384 108.800 -0.019 0.000 2.944 100 G HA2 0.074 4.034 3.960 -0.000 0.000 0.220 100 G HA3 0.074 4.034 3.960 -0.000 0.000 0.220 100 G C 1.146 176.015 174.900 -0.052 0.000 1.100 100 G CA 0.763 45.839 45.100 -0.040 0.000 0.780 100 G HN 0.434 nan 8.290 nan 0.000 0.539 101 C N 1.131 120.412 119.300 -0.031 0.000 2.419 101 C HA 0.069 4.529 4.460 -0.000 0.000 0.281 101 C C 3.121 178.087 174.990 -0.040 0.000 1.336 101 C CA 0.973 59.975 59.018 -0.027 0.000 1.770 101 C CB -0.865 26.868 27.740 -0.012 0.000 1.929 101 C HN 0.486 nan 8.230 nan 0.000 0.509 102 G N 0.399 109.169 108.800 -0.050 0.000 2.421 102 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 102 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 102 G C 1.690 176.542 174.900 -0.081 0.000 1.171 102 G CA 1.289 46.357 45.100 -0.054 0.000 0.775 102 G HN 0.383 nan 8.290 nan 0.000 0.543 103 V N 0.685 120.512 119.914 -0.145 0.000 2.287 103 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 103 V C 2.713 178.736 176.094 -0.118 0.000 1.053 103 V CA 1.766 63.934 62.300 -0.219 0.000 1.027 103 V CB -0.458 31.070 31.823 -0.493 0.000 0.646 103 V HN 0.352 nan 8.190 nan 0.000 0.447 104 L N -0.016 121.158 121.223 -0.083 0.000 2.056 104 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 104 L C 2.647 179.505 176.870 -0.020 0.000 1.078 104 L CA 2.365 57.184 54.840 -0.035 0.000 0.749 104 L CB -0.774 41.274 42.059 -0.018 0.000 0.901 104 L HN 0.340 nan 8.230 nan 0.000 0.433 105 S N -0.877 114.810 115.700 -0.023 0.000 2.359 105 S HA -0.212 4.257 4.470 -0.000 0.000 0.224 105 S C 2.150 176.745 174.600 -0.010 0.000 1.035 105 S CA 1.839 60.032 58.200 -0.012 0.000 1.018 105 S CB -0.621 62.570 63.200 -0.015 0.000 0.876 105 S HN 0.776 nan 8.310 nan 0.000 0.448 106 S N -0.594 115.095 115.700 -0.019 0.000 2.561 106 S HA 0.024 4.494 4.470 -0.000 0.000 0.225 106 S C 1.570 176.168 174.600 -0.003 0.000 0.977 106 S CA 1.088 59.282 58.200 -0.010 0.000 0.926 106 S CB -0.617 62.575 63.200 -0.014 0.000 0.769 106 S HN 0.566 nan 8.310 nan 0.000 0.533 107 T N 2.491 117.042 114.554 -0.005 0.000 2.976 107 T HA 0.293 4.642 4.350 -0.000 0.000 0.257 107 T C 1.558 176.265 174.700 0.012 0.000 1.051 107 T CA 0.515 62.619 62.100 0.007 0.000 1.141 107 T CB -0.315 68.558 68.868 0.007 0.000 0.881 107 T HN 0.302 nan 8.240 nan 0.000 0.461 108 L N 0.743 121.973 121.223 0.011 0.000 2.265 108 L HA 0.019 4.359 4.340 -0.000 0.000 0.215 108 L C 2.544 179.425 176.870 0.018 0.000 1.117 108 L CA 1.028 55.879 54.840 0.018 0.000 0.782 108 L CB -0.437 41.636 42.059 0.023 0.000 0.914 108 L HN 0.141 nan 8.230 nan 0.000 0.441 109 R N -0.533 119.975 120.500 0.014 0.000 2.307 109 R HA -0.046 4.293 4.340 -0.000 0.000 0.199 109 R C 1.544 177.852 176.300 0.013 0.000 1.000 109 R CA 1.356 57.464 56.100 0.013 0.000 1.023 109 R CB -0.135 30.170 30.300 0.009 0.000 0.908 109 R HN 0.412 nan 8.270 nan 0.000 0.473 110 T N -3.175 111.387 114.554 0.014 0.000 3.145 110 T HA 0.287 4.637 4.350 -0.000 0.000 0.281 110 T C 0.405 175.113 174.700 0.013 0.000 1.003 110 T CA -0.315 61.794 62.100 0.014 0.000 0.901 110 T CB 0.252 69.129 68.868 0.014 0.000 1.112 110 T HN -0.029 nan 8.240 nan 0.000 0.535 111 L N 2.438 123.670 121.223 0.015 0.000 2.679 111 L HA 0.391 4.731 4.340 -0.000 0.000 0.238 111 L C -1.730 175.148 176.870 0.014 0.000 1.330 111 L CA -2.092 52.756 54.840 0.013 0.000 0.935 111 L CB 1.402 43.469 42.059 0.013 0.000 1.243 111 L HN -0.050 nan 8.230 nan 0.000 0.484 112 P HA -0.154 nan 4.420 nan 0.000 0.223 112 P C 1.337 178.644 177.300 0.011 0.000 1.144 112 P CA 1.228 64.337 63.100 0.014 0.000 0.783 112 P CB 0.017 31.725 31.700 0.012 0.000 0.771 113 T N -3.479 111.079 114.554 0.007 0.000 3.088 113 T HA 0.048 4.398 4.350 -0.000 0.000 0.259 113 T C 0.828 175.528 174.700 -0.000 0.000 1.122 113 T CA -0.271 61.831 62.100 0.003 0.000 1.095 113 T CB -0.783 68.085 68.868 -0.000 0.000 0.930 113 T HN -0.084 nan 8.240 nan 0.000 0.508 114 L N 2.167 123.392 121.223 0.003 0.000 2.418 114 L HA 0.273 4.613 4.340 -0.000 0.000 0.274 114 L C 0.971 177.841 176.870 0.001 0.000 1.135 114 L CA 0.467 55.307 54.840 0.000 0.000 0.870 114 L CB 0.484 42.547 42.059 0.007 0.000 1.154 114 L HN 0.166 nan 8.230 nan 0.000 0.462 115 Q N 2.832 122.624 119.800 -0.014 0.000 2.280 115 Q HA 0.245 4.585 4.340 -0.000 0.000 0.244 115 Q C -0.257 175.718 176.000 -0.042 0.000 0.847 115 Q CA 0.101 55.888 55.803 -0.027 0.000 0.945 115 Q CB 1.156 29.872 28.738 -0.037 0.000 1.115 115 Q HN 0.699 nan 8.270 nan 0.000 0.513 116 E N 0.865 121.043 120.200 -0.036 0.000 2.275 116 E HA 0.451 4.801 4.350 -0.000 0.000 0.270 116 E C -2.047 174.539 176.600 -0.023 0.000 0.882 116 E CA -0.589 55.792 56.400 -0.032 0.000 0.758 116 E CB 1.724 31.386 29.700 -0.063 0.000 1.195 116 E HN -0.095 nan 8.360 nan 0.000 0.419 117 L N 4.345 125.610 121.223 0.069 0.000 2.438 117 L HA 0.414 4.754 4.340 -0.000 0.000 0.270 117 L C -1.755 175.284 176.870 0.282 0.000 0.972 117 L CA -0.301 54.598 54.840 0.098 0.000 0.831 117 L CB 1.634 43.745 42.059 0.087 0.000 1.273 117 L HN 0.667 nan 8.230 nan 0.000 0.405 118 H N 6.435 125.517 119.070 0.019 0.000 2.638 118 H HA 0.417 4.973 4.556 -0.000 0.000 0.317 118 H C 0.109 175.455 175.328 0.029 0.000 1.006 118 H CA -0.625 55.437 56.048 0.023 0.000 1.222 118 H CB 1.558 31.330 29.762 0.017 0.000 1.419 118 H HN 0.584 nan 8.280 nan 0.000 0.489 119 L N 1.456 122.763 121.223 0.140 0.000 2.766 119 L HA 0.165 4.504 4.340 -0.000 0.000 0.242 119 L C 0.695 177.613 176.870 0.080 0.000 1.136 119 L CA -0.026 54.870 54.840 0.092 0.000 0.933 119 L CB 0.436 42.538 42.059 0.072 0.000 1.241 119 L HN 0.386 nan 8.230 nan 0.000 0.522 120 S N 0.762 116.511 115.700 0.081 0.000 2.549 120 S HA -0.075 4.395 4.470 -0.000 0.000 0.278 120 S C 0.398 175.047 174.600 0.083 0.000 1.344 120 S CA 0.276 58.528 58.200 0.086 0.000 1.025 120 S CB 0.164 63.407 63.200 0.071 0.000 0.851 120 S HN 0.446 nan 8.310 nan 0.000 0.530 121 D N 0.662 121.121 120.400 0.098 0.000 2.907 121 D HA -0.127 4.513 4.640 -0.000 0.000 0.226 121 D C -0.620 175.688 176.300 0.013 0.000 1.141 121 D CA 0.913 54.927 54.000 0.024 0.000 0.779 121 D CB -1.601 39.195 40.800 -0.006 0.000 1.095 121 D HN 0.423 nan 8.370 nan 0.000 0.430 122 N N 0.081 118.804 118.700 0.038 0.000 2.229 122 N HA 0.448 5.188 4.740 -0.000 0.000 0.298 122 N C -0.574 174.956 175.510 0.034 0.000 1.114 122 N CA -0.633 52.433 53.050 0.027 0.000 0.776 122 N CB 1.750 40.257 38.487 0.032 0.000 1.501 122 N HN 0.027 nan 8.380 nan 0.000 0.474 123 L N 2.953 124.190 121.223 0.022 0.000 2.358 123 L HA 0.306 4.645 4.340 -0.000 0.000 0.274 123 L C 0.992 177.876 176.870 0.023 0.000 1.136 123 L CA -0.139 54.716 54.840 0.026 0.000 0.970 123 L CB -0.155 41.913 42.059 0.016 0.000 1.314 123 L HN 0.495 nan 8.230 nan 0.000 0.427 124 L N 3.151 124.391 121.223 0.028 0.000 2.168 124 L HA 0.314 4.654 4.340 -0.000 0.000 0.203 124 L C 1.306 178.186 176.870 0.017 0.000 1.078 124 L CA 0.624 55.477 54.840 0.021 0.000 0.780 124 L CB -0.711 41.362 42.059 0.024 0.000 0.939 124 L HN 0.762 nan 8.230 nan 0.000 0.451 125 G N 0.439 109.251 108.800 0.020 0.000 2.846 125 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.660 125 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.660 125 G C -0.096 174.809 174.900 0.009 0.000 1.464 125 G CA -0.098 45.010 45.100 0.014 0.000 0.891 125 G HN 0.185 nan 8.290 nan 0.000 0.552 126 D N 0.202 120.606 120.400 0.005 0.000 2.117 126 D HA -0.016 4.624 4.640 -0.000 0.000 0.198 126 D C 2.776 179.076 176.300 -0.001 0.000 0.982 126 D CA 2.014 56.014 54.000 0.001 0.000 0.828 126 D CB -0.478 40.321 40.800 -0.002 0.000 0.967 126 D HN 0.847 nan 8.370 nan 0.000 0.464 127 A N 1.040 123.859 122.820 -0.000 0.000 1.902 127 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 127 A C 2.391 179.973 177.584 -0.002 0.000 1.181 127 A CA 2.089 54.124 52.037 -0.002 0.000 0.623 127 A CB -1.060 17.939 19.000 -0.002 0.000 0.818 127 A HN 0.302 nan 8.150 nan 0.000 0.443 128 G N -0.204 108.596 108.800 -0.000 0.000 2.404 128 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.215 128 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.215 128 G C 1.496 176.397 174.900 0.000 0.000 1.174 128 G CA 1.187 46.286 45.100 -0.001 0.000 0.780 128 G HN 0.492 nan 8.290 nan 0.000 0.537 129 L N 0.584 121.809 121.223 0.003 0.000 1.994 129 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 129 L C 2.885 179.753 176.870 -0.002 0.000 1.071 129 L CA 2.173 57.015 54.840 0.004 0.000 0.745 129 L CB -0.922 41.140 42.059 0.005 0.000 0.892 129 L HN 0.339 nan 8.230 nan 0.000 0.431 130 Q N -0.967 118.830 119.800 -0.005 0.000 2.096 130 Q HA -0.249 4.090 4.340 -0.000 0.000 0.204 130 Q C 2.221 178.215 176.000 -0.009 0.000 0.982 130 Q CA 1.896 57.694 55.803 -0.009 0.000 0.850 130 Q CB -0.446 28.287 28.738 -0.009 0.000 0.901 130 Q HN 0.486 nan 8.270 nan 0.000 0.422 131 L N 0.344 121.562 121.223 -0.007 0.000 2.083 131 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 131 L C 2.015 178.880 176.870 -0.008 0.000 1.083 131 L CA 1.315 56.150 54.840 -0.009 0.000 0.752 131 L CB -0.503 41.551 42.059 -0.010 0.000 0.899 131 L HN 0.226 nan 8.230 nan 0.000 0.433 132 L N -0.952 120.268 121.223 -0.005 0.000 2.017 132 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 132 L C 2.556 179.425 176.870 -0.001 0.000 1.073 132 L CA 1.890 56.730 54.840 -0.001 0.000 0.745 132 L CB -0.863 41.200 42.059 0.007 0.000 0.894 132 L HN 0.355 nan 8.230 nan 0.000 0.432 133 C N -0.046 119.250 119.300 -0.006 0.000 2.398 133 C HA -0.205 4.255 4.460 -0.000 0.000 0.279 133 C C 2.591 177.572 174.990 -0.014 0.000 1.250 133 C CA 1.184 60.194 59.018 -0.014 0.000 1.786 133 C CB -1.163 26.564 27.740 -0.023 0.000 2.018 133 C HN 0.594 nan 8.230 nan 0.000 0.494 134 E N 0.015 120.209 120.200 -0.011 0.000 2.106 134 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 134 E C 2.432 179.028 176.600 -0.006 0.000 0.984 134 E CA 1.285 57.679 56.400 -0.010 0.000 0.806 134 E CB -0.346 29.349 29.700 -0.009 0.000 0.750 134 E HN 0.759 nan 8.360 nan 0.000 0.458 135 G N 1.121 109.919 108.800 -0.003 0.000 2.402 135 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 135 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 135 G C 1.574 176.479 174.900 0.008 0.000 1.162 135 G CA 0.245 45.346 45.100 0.002 0.000 0.777 135 G HN 0.083 nan 8.290 nan 0.000 0.539 136 L N 0.018 121.247 121.223 0.009 0.000 2.131 136 L HA 0.037 4.376 4.340 -0.000 0.000 0.210 136 L C 2.627 179.501 176.870 0.005 0.000 1.092 136 L CA 0.402 55.252 54.840 0.016 0.000 0.759 136 L CB -0.306 41.762 42.059 0.014 0.000 0.903 136 L HN 0.168 nan 8.230 nan 0.000 0.435 137 L N -0.843 120.376 121.223 -0.007 0.000 2.551 137 L HA -0.067 4.272 4.340 -0.000 0.000 0.228 137 L C 0.992 177.860 176.870 -0.003 0.000 1.153 137 L CA 0.090 54.922 54.840 -0.012 0.000 0.851 137 L CB -0.428 41.619 42.059 -0.019 0.000 0.959 137 L HN 0.233 nan 8.230 nan 0.000 0.451 138 D N 1.180 121.582 120.400 0.003 0.000 2.424 138 D HA -0.001 4.638 4.640 -0.000 0.000 0.244 138 D C -1.409 174.898 176.300 0.011 0.000 1.134 138 D CA -1.421 52.583 54.000 0.006 0.000 0.881 138 D CB 1.582 42.387 40.800 0.008 0.000 1.191 138 D HN -0.043 nan 8.370 nan 0.000 0.445 139 P HA -0.143 nan 4.420 nan 0.000 0.225 139 P C 0.859 178.169 177.300 0.017 0.000 1.148 139 P CA 0.837 63.944 63.100 0.013 0.000 0.779 139 P CB 0.465 32.170 31.700 0.009 0.000 0.780 140 Q N -1.018 118.791 119.800 0.016 0.000 2.435 140 Q HA -0.012 4.328 4.340 -0.000 0.000 0.207 140 Q C 0.890 176.904 176.000 0.022 0.000 0.956 140 Q CA 0.222 56.035 55.803 0.017 0.000 0.917 140 Q CB -0.853 27.894 28.738 0.014 0.000 0.997 140 Q HN 0.243 nan 8.270 nan 0.000 0.497 141 C N 2.531 121.847 119.300 0.027 0.000 2.482 141 C HA 0.277 4.736 4.460 -0.000 0.000 0.378 141 C C 0.851 175.871 174.990 0.051 0.000 1.284 141 C CA -0.476 58.565 59.018 0.038 0.000 1.826 141 C CB -0.287 27.478 27.740 0.041 0.000 2.473 141 C HN 0.214 nan 8.230 nan 0.000 0.562 142 R N 4.428 124.959 120.500 0.051 0.000 2.652 142 R HA 0.218 4.558 4.340 -0.000 0.000 0.372 142 R C -0.407 175.934 176.300 0.068 0.000 1.104 142 R CA -0.548 55.586 56.100 0.057 0.000 1.072 142 R CB -0.387 29.934 30.300 0.034 0.000 1.367 142 R HN 0.612 nan 8.270 nan 0.000 0.577 143 L N 1.575 122.859 121.223 0.101 0.000 2.490 143 L HA -0.028 4.312 4.340 -0.000 0.000 0.274 143 L C 1.139 178.074 176.870 0.108 0.000 1.201 143 L CA 1.190 56.097 54.840 0.111 0.000 0.869 143 L CB 0.515 42.681 42.059 0.180 0.000 1.123 143 L HN 0.238 nan 8.230 nan 0.000 0.484 144 E N 2.355 122.470 120.200 -0.142 0.000 2.474 144 E HA 0.164 4.514 4.350 -0.000 0.000 0.215 144 E C -0.376 175.670 176.600 -0.923 0.000 0.867 144 E CA 0.056 56.165 56.400 -0.485 0.000 1.135 144 E CB 0.692 30.248 29.700 -0.239 0.000 1.147 144 E HN 0.466 nan 8.360 nan 0.000 0.534 145 K N 1.289 121.401 120.400 -0.481 0.000 2.471 145 K HA 0.480 4.800 4.320 -0.000 0.000 0.252 145 K C -1.630 174.926 176.600 -0.073 0.000 0.938 145 K CA -0.721 55.371 56.287 -0.325 0.000 0.796 145 K CB 2.566 34.983 32.500 -0.139 0.000 1.161 145 K HN -0.150 nan 8.250 nan 0.000 0.425 146 L N 2.257 123.493 121.223 0.023 0.000 2.464 146 L HA 0.322 4.662 4.340 -0.000 0.000 0.266 146 L C -1.619 175.307 176.870 0.093 0.000 0.965 146 L CA -0.135 54.794 54.840 0.147 0.000 0.833 146 L CB 2.110 44.336 42.059 0.279 0.000 1.296 146 L HN 0.575 nan 8.230 nan 0.000 0.405 147 Q N 6.071 125.906 119.800 0.057 0.000 2.325 147 Q HA 0.546 4.886 4.340 -0.000 0.000 0.270 147 Q C -0.802 175.204 176.000 0.009 0.000 1.020 147 Q CA -0.423 55.352 55.803 -0.047 0.000 0.785 147 Q CB 2.441 30.996 28.738 -0.306 0.000 1.259 147 Q HN 0.667 nan 8.270 nan 0.000 0.452 148 L N 1.841 123.072 121.223 0.014 0.000 3.255 148 L HA 0.304 4.644 4.340 -0.000 0.000 0.293 148 L C 0.082 176.969 176.870 0.028 0.000 1.302 148 L CA -0.110 54.749 54.840 0.033 0.000 0.977 148 L CB 0.707 42.786 42.059 0.035 0.000 1.390 148 L HN 0.598 nan 8.230 nan 0.000 0.588 149 E N 0.378 120.592 120.200 0.024 0.000 2.384 149 E HA -0.010 4.339 4.350 -0.000 0.000 0.266 149 E C -0.571 176.117 176.600 0.148 0.000 1.012 149 E CA -0.227 56.189 56.400 0.027 0.000 0.901 149 E CB 0.347 30.067 29.700 0.034 0.000 0.967 149 E HN 0.172 nan 8.360 nan 0.000 0.435 150 Y N 1.198 121.502 120.300 0.007 0.000 3.027 150 Y HA -0.263 4.287 4.550 -0.001 0.000 0.195 150 Y C 0.194 176.098 175.900 0.007 0.000 1.381 150 Y CA 0.137 58.242 58.100 0.007 0.000 1.015 150 Y CB -1.706 36.760 38.460 0.009 0.000 1.329 150 Y HN 0.512 nan 8.280 nan 0.000 0.462 151 C N -0.467 118.910 119.300 0.130 0.000 2.760 151 C HA 0.323 4.782 4.460 -0.000 0.000 0.293 151 C C 1.265 176.293 174.990 0.063 0.000 1.383 151 C CA 0.337 59.407 59.018 0.086 0.000 1.771 151 C CB -1.085 26.690 27.740 0.058 0.000 2.353 151 C HN 0.783 nan 8.230 nan 0.000 0.578 152 S N 0.914 116.659 115.700 0.076 0.000 3.641 152 S HA -0.176 4.294 4.470 -0.000 0.000 0.346 152 S C -0.081 174.536 174.600 0.029 0.000 1.074 152 S CA 0.545 58.776 58.200 0.052 0.000 1.026 152 S CB -1.678 61.549 63.200 0.044 0.000 0.908 152 S HN 0.710 nan 8.310 nan 0.000 0.479 153 L N 1.341 122.576 121.223 0.021 0.000 2.325 153 L HA 0.654 4.993 4.340 -0.000 0.000 0.279 153 L C 0.802 177.671 176.870 -0.003 0.000 1.054 153 L CA -0.432 54.412 54.840 0.007 0.000 0.804 153 L CB 1.563 43.624 42.059 0.003 0.000 1.200 153 L HN 0.373 nan 8.230 nan 0.000 0.436 154 S N 0.985 116.681 115.700 -0.005 0.000 2.823 154 S HA 0.590 5.060 4.470 -0.000 0.000 0.316 154 S C 0.947 175.538 174.600 -0.014 0.000 1.116 154 S CA -0.173 58.020 58.200 -0.011 0.000 0.911 154 S CB 1.400 64.596 63.200 -0.008 0.000 1.276 154 S HN 0.623 nan 8.310 nan 0.000 0.565 155 A N 0.284 123.094 122.820 -0.016 0.000 2.093 155 A HA 0.077 4.396 4.320 -0.000 0.000 0.222 155 A C 1.988 179.562 177.584 -0.016 0.000 1.162 155 A CA 1.852 53.878 52.037 -0.018 0.000 0.655 155 A CB -1.584 17.405 19.000 -0.018 0.000 0.805 155 A HN 1.392 nan 8.150 nan 0.000 0.461 156 A N -1.259 121.553 122.820 -0.013 0.000 2.261 156 A HA 0.289 4.609 4.320 -0.000 0.000 0.208 156 A C 1.803 179.379 177.584 -0.013 0.000 1.223 156 A CA 1.153 53.182 52.037 -0.013 0.000 0.833 156 A CB -0.354 18.641 19.000 -0.010 0.000 0.830 156 A HN 0.357 nan 8.150 nan 0.000 0.483 157 S N -2.281 113.410 115.700 -0.015 0.000 2.549 157 S HA -0.002 4.468 4.470 -0.000 0.000 0.225 157 S C 1.466 176.053 174.600 -0.022 0.000 1.039 157 S CA 0.340 58.531 58.200 -0.016 0.000 0.942 157 S CB -0.106 63.087 63.200 -0.011 0.000 0.881 157 S HN 0.738 nan 8.310 nan 0.000 0.503 158 C N 2.216 121.501 119.300 -0.024 0.000 2.450 158 C HA 0.066 4.526 4.460 -0.000 0.000 0.279 158 C C 2.593 177.562 174.990 -0.035 0.000 1.335 158 C CA 0.298 59.298 59.018 -0.030 0.000 1.749 158 C CB -0.794 26.929 27.740 -0.028 0.000 1.963 158 C HN 0.537 nan 8.230 nan 0.000 0.501 159 E N 1.197 121.379 120.200 -0.030 0.000 2.047 159 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 159 E C -0.140 176.437 176.600 -0.038 0.000 0.987 159 E CA 1.549 57.930 56.400 -0.032 0.000 0.799 159 E CB -1.597 28.088 29.700 -0.026 0.000 0.752 159 E HN 0.460 nan 8.360 nan 0.000 0.449 160 P HA -0.117 nan 4.420 nan 0.000 0.215 160 P C 1.693 178.961 177.300 -0.053 0.000 1.157 160 P CA 1.025 64.103 63.100 -0.037 0.000 0.868 160 P CB -0.069 31.614 31.700 -0.027 0.000 0.788 161 L N -1.395 119.795 121.223 -0.056 0.000 2.141 161 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 161 L C 2.401 179.204 176.870 -0.111 0.000 1.094 161 L CA 1.250 56.040 54.840 -0.082 0.000 0.763 161 L CB -0.993 41.028 42.059 -0.064 0.000 0.908 161 L HN -0.041 nan 8.230 nan 0.000 0.437 162 A N 0.231 123.001 122.820 -0.083 0.000 1.902 162 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 162 A C 2.540 180.067 177.584 -0.094 0.000 1.181 162 A CA 1.940 53.926 52.037 -0.086 0.000 0.623 162 A CB -0.663 18.302 19.000 -0.059 0.000 0.818 162 A HN 0.518 nan 8.150 nan 0.000 0.443 163 S N -0.302 115.351 115.700 -0.079 0.000 2.382 163 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 163 S C 1.745 176.287 174.600 -0.097 0.000 1.027 163 S CA 1.493 59.650 58.200 -0.072 0.000 0.991 163 S CB -0.916 62.252 63.200 -0.053 0.000 0.823 163 S HN 0.257 nan 8.310 nan 0.000 0.469 164 V N 2.155 121.992 119.914 -0.129 0.000 2.358 164 V HA -0.081 4.038 4.120 -0.000 0.000 0.246 164 V C 2.577 178.508 176.094 -0.272 0.000 1.047 164 V CA 1.722 63.915 62.300 -0.178 0.000 1.035 164 V CB -0.870 30.831 31.823 -0.203 0.000 0.658 164 V HN 0.468 nan 8.190 nan 0.000 0.452 165 L N -0.569 120.464 121.223 -0.315 0.000 2.131 165 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 165 L C 2.786 179.552 176.870 -0.173 0.000 1.092 165 L CA 1.483 56.118 54.840 -0.340 0.000 0.759 165 L CB -0.553 41.354 42.059 -0.253 0.000 0.903 165 L HN 0.257 nan 8.230 nan 0.000 0.435 166 R N -0.104 120.324 120.500 -0.120 0.000 2.115 166 R HA -0.028 4.312 4.340 -0.000 0.000 0.226 166 R C 1.980 178.247 176.300 -0.055 0.000 1.100 166 R CA 1.180 57.238 56.100 -0.070 0.000 0.980 166 R CB -0.249 30.018 30.300 -0.055 0.000 0.875 166 R HN 0.287 nan 8.270 nan 0.000 0.445 167 A N 0.880 123.660 122.820 -0.067 0.000 2.278 167 A HA 0.048 4.368 4.320 -0.000 0.000 0.212 167 A C 0.093 177.665 177.584 -0.019 0.000 1.213 167 A CA 0.352 52.365 52.037 -0.039 0.000 0.840 167 A CB 0.314 19.291 19.000 -0.038 0.000 0.866 167 A HN -0.073 nan 8.150 nan 0.000 0.489 168 K N -0.052 120.333 120.400 -0.024 0.000 2.753 168 K HA 0.288 4.607 4.320 -0.000 0.000 0.185 168 K C -2.604 174.057 176.600 0.101 0.000 1.071 168 K CA -1.936 54.386 56.287 0.058 0.000 0.999 168 K CB 1.033 33.607 32.500 0.123 0.000 1.244 168 K HN -0.017 nan 8.250 nan 0.000 0.594 169 P HA -0.176 nan 4.420 nan 0.000 0.218 169 P C 0.713 178.066 177.300 0.089 0.000 1.146 169 P CA 1.146 64.285 63.100 0.065 0.000 0.813 169 P CB 0.394 32.118 31.700 0.041 0.000 0.778 170 D N -2.291 118.173 120.400 0.106 0.000 2.340 170 D HA 0.003 4.642 4.640 -0.000 0.000 0.220 170 D C 0.155 176.521 176.300 0.110 0.000 1.039 170 D CA -0.267 53.786 54.000 0.088 0.000 0.866 170 D CB -0.342 40.497 40.800 0.064 0.000 0.913 170 D HN 0.018 nan 8.370 nan 0.000 0.523 171 F N 1.215 121.166 119.950 0.003 0.000 2.563 171 F HA 0.029 4.556 4.527 -0.000 0.000 0.363 171 F C 1.726 177.528 175.800 0.003 0.000 1.123 171 F CA 0.803 58.806 58.000 0.004 0.000 1.307 171 F CB 0.844 39.845 39.000 0.002 0.000 1.115 171 F HN -0.248 nan 8.300 nan 0.000 0.592 172 K N 1.624 121.794 120.400 -0.383 0.000 2.443 172 K HA 0.132 4.452 4.320 -0.000 0.000 0.200 172 K C -0.365 176.124 176.600 -0.186 0.000 1.278 172 K CA 0.004 56.167 56.287 -0.207 0.000 0.925 172 K CB 0.824 33.209 32.500 -0.191 0.000 1.225 172 K HN 0.608 nan 8.250 nan 0.000 0.514 173 E N 0.982 120.964 120.200 -0.363 0.000 2.335 173 E HA 0.334 4.683 4.350 -0.000 0.000 0.280 173 E C -2.100 174.482 176.600 -0.030 0.000 0.918 173 E CA -0.662 55.655 56.400 -0.138 0.000 0.765 173 E CB 1.778 31.407 29.700 -0.118 0.000 1.218 173 E HN -0.064 nan 8.360 nan 0.000 0.425 174 L N 2.650 123.950 121.223 0.129 0.000 2.408 174 L HA 0.632 4.972 4.340 -0.000 0.000 0.268 174 L C -1.522 175.388 176.870 0.068 0.000 0.986 174 L CA -0.002 54.953 54.840 0.193 0.000 0.820 174 L CB 2.447 44.671 42.059 0.275 0.000 1.303 174 L HN 0.556 nan 8.230 nan 0.000 0.411 175 T N 4.173 118.748 114.554 0.034 0.000 2.840 175 T HA 0.523 4.873 4.350 -0.000 0.000 0.287 175 T C -0.021 174.676 174.700 -0.005 0.000 0.991 175 T CA -0.311 61.785 62.100 -0.007 0.000 0.964 175 T CB 1.557 70.392 68.868 -0.054 0.000 0.954 175 T HN 0.365 nan 8.240 nan 0.000 0.438 176 V N 1.418 121.324 119.914 -0.014 0.000 3.166 176 V HA 0.179 4.299 4.120 -0.000 0.000 0.332 176 V C 0.945 177.005 176.094 -0.056 0.000 1.434 176 V CA -0.485 61.800 62.300 -0.024 0.000 1.121 176 V CB 0.155 31.967 31.823 -0.018 0.000 1.062 176 V HN 0.837 nan 8.190 nan 0.000 0.489 177 S N 1.707 117.370 115.700 -0.063 0.000 2.559 177 S HA 0.063 4.533 4.470 -0.000 0.000 0.282 177 S C 0.789 175.260 174.600 -0.214 0.000 1.336 177 S CA 0.416 58.553 58.200 -0.104 0.000 1.037 177 S CB -0.224 62.940 63.200 -0.060 0.000 0.853 177 S HN 0.818 nan 8.310 nan 0.000 0.523 178 N N 1.646 120.170 118.700 -0.293 0.000 2.714 178 N HA -0.168 4.571 4.740 -0.000 0.000 0.253 178 N C -1.377 173.941 175.510 -0.321 0.000 1.024 178 N CA 0.548 53.297 53.050 -0.501 0.000 0.726 178 N CB -1.147 36.538 38.487 -1.337 0.000 0.908 178 N HN 0.489 nan 8.380 nan 0.000 0.542 179 N N 0.776 119.377 118.700 -0.165 0.000 2.519 179 N HA 0.075 4.815 4.740 -0.000 0.000 0.291 179 N C -1.508 173.962 175.510 -0.067 0.000 1.107 179 N CA -0.616 52.385 53.050 -0.082 0.000 0.904 179 N CB 1.073 39.528 38.487 -0.053 0.000 1.500 179 N HN 0.211 nan 8.380 nan 0.000 0.510 180 D N 2.152 122.524 120.400 -0.047 0.000 2.545 180 D HA 0.041 4.681 4.640 -0.000 0.000 0.227 180 D C 1.480 177.760 176.300 -0.033 0.000 1.150 180 D CA -0.396 53.579 54.000 -0.041 0.000 1.046 180 D CB -0.187 40.595 40.800 -0.030 0.000 1.098 180 D HN 0.642 nan 8.370 nan 0.000 0.502 181 I N -2.632 117.916 120.570 -0.037 0.000 3.684 181 I HA 0.013 4.183 4.170 -0.000 0.000 0.304 181 I C -0.076 176.023 176.117 -0.030 0.000 1.278 181 I CA -0.473 60.809 61.300 -0.030 0.000 1.272 181 I CB -0.429 37.553 38.000 -0.031 0.000 1.029 181 I HN -0.029 nan 8.210 nan 0.000 0.458 182 N N 2.334 121.013 118.700 -0.034 0.000 6.746 182 N HA -0.321 4.418 4.740 -0.000 0.000 0.415 182 N C 0.808 176.299 175.510 -0.032 0.000 0.941 182 N CA 1.312 54.343 53.050 -0.033 0.000 1.510 182 N CB -0.344 38.127 38.487 -0.026 0.000 0.796 182 N HN 0.563 nan 8.380 nan 0.000 0.371 183 E N 0.331 120.513 120.200 -0.030 0.000 2.110 183 E HA -0.095 4.254 4.350 -0.000 0.000 0.193 183 E C 1.773 178.358 176.600 -0.025 0.000 0.988 183 E CA 1.614 57.997 56.400 -0.028 0.000 0.804 183 E CB -0.163 29.521 29.700 -0.026 0.000 0.745 183 E HN 0.564 nan 8.360 nan 0.000 0.458 184 A N 0.748 123.554 122.820 -0.023 0.000 1.854 184 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 184 A C 2.470 180.041 177.584 -0.023 0.000 1.192 184 A CA 1.472 53.497 52.037 -0.021 0.000 0.611 184 A CB -1.304 17.684 19.000 -0.019 0.000 0.832 184 A HN 0.444 nan 8.150 nan 0.000 0.442 185 G N -0.248 108.538 108.800 -0.024 0.000 2.513 185 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.219 185 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.219 185 G C 1.530 176.414 174.900 -0.027 0.000 1.160 185 G CA 1.501 46.586 45.100 -0.025 0.000 0.767 185 G HN 0.333 nan 8.290 nan 0.000 0.571 186 V N 0.740 120.637 119.914 -0.028 0.000 2.332 186 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 186 V C 2.784 178.863 176.094 -0.026 0.000 1.055 186 V CA 2.203 64.486 62.300 -0.028 0.000 1.038 186 V CB -0.477 31.327 31.823 -0.032 0.000 0.651 186 V HN 0.452 nan 8.190 nan 0.000 0.450 187 R N -0.303 120.182 120.500 -0.024 0.000 2.120 187 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 187 R C 2.085 178.372 176.300 -0.023 0.000 1.123 187 R CA 1.420 57.506 56.100 -0.023 0.000 0.975 187 R CB -0.143 30.145 30.300 -0.021 0.000 0.866 187 R HN 0.418 nan 8.270 nan 0.000 0.446 188 V N 0.968 120.868 119.914 -0.024 0.000 2.407 188 V HA -0.171 3.948 4.120 -0.000 0.000 0.245 188 V C 2.296 178.371 176.094 -0.031 0.000 1.041 188 V CA 1.283 63.567 62.300 -0.026 0.000 1.040 188 V CB -0.249 31.559 31.823 -0.026 0.000 0.671 188 V HN 0.314 nan 8.190 nan 0.000 0.455 189 L N -0.776 120.428 121.223 -0.031 0.000 2.046 189 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 189 L C 2.586 179.438 176.870 -0.031 0.000 1.077 189 L CA 1.536 56.355 54.840 -0.035 0.000 0.747 189 L CB -0.650 41.391 42.059 -0.029 0.000 0.896 189 L HN 0.381 nan 8.230 nan 0.000 0.432 190 C N -0.831 118.454 119.300 -0.025 0.000 2.432 190 C HA -0.163 4.297 4.460 -0.000 0.000 0.280 190 C C 2.807 177.783 174.990 -0.024 0.000 1.353 190 C CA 0.580 59.585 59.018 -0.022 0.000 1.766 190 C CB -0.586 27.142 27.740 -0.020 0.000 1.924 190 C HN 0.519 nan 8.230 nan 0.000 0.509 191 Q N 1.230 121.015 119.800 -0.026 0.000 2.050 191 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 191 Q C 2.230 178.213 176.000 -0.030 0.000 0.980 191 Q CA 2.226 58.013 55.803 -0.026 0.000 0.840 191 Q CB -0.648 28.075 28.738 -0.025 0.000 0.898 191 Q HN 0.594 nan 8.270 nan 0.000 0.424 192 G N 0.695 109.473 108.800 -0.037 0.000 2.511 192 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 192 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 192 G C 1.352 176.227 174.900 -0.042 0.000 1.218 192 G CA 1.055 46.126 45.100 -0.048 0.000 0.788 192 G HN 0.380 nan 8.290 nan 0.000 0.560 193 L N 0.513 121.714 121.223 -0.036 0.000 2.034 193 L HA -0.240 4.100 4.340 -0.000 0.000 0.217 193 L C 2.862 179.724 176.870 -0.015 0.000 1.077 193 L CA 2.163 56.992 54.840 -0.019 0.000 0.769 193 L CB -0.454 41.601 42.059 -0.007 0.000 0.890 193 L HN 0.346 nan 8.230 nan 0.000 0.435 194 K N 0.169 120.558 120.400 -0.019 0.000 1.987 194 K HA -0.235 4.085 4.320 -0.000 0.000 0.216 194 K C 1.722 178.313 176.600 -0.016 0.000 1.051 194 K CA 2.197 58.473 56.287 -0.018 0.000 0.942 194 K CB -0.124 32.364 32.500 -0.021 0.000 0.722 194 K HN 0.304 nan 8.250 nan 0.000 0.444 195 D N 1.180 121.569 120.400 -0.018 0.000 2.088 195 D HA -0.145 4.495 4.640 -0.000 0.000 0.191 195 D C 0.854 177.146 176.300 -0.014 0.000 0.992 195 D CA 1.246 55.236 54.000 -0.017 0.000 0.831 195 D CB -0.998 39.790 40.800 -0.021 0.000 0.973 195 D HN 0.408 nan 8.370 nan 0.000 0.447 196 S N 1.972 117.660 115.700 -0.020 0.000 2.643 196 S HA -0.052 4.418 4.470 -0.000 0.000 0.310 196 S C -1.536 173.064 174.600 -0.000 0.000 1.253 196 S CA -0.649 57.541 58.200 -0.017 0.000 1.047 196 S CB 1.177 64.360 63.200 -0.029 0.000 0.767 196 S HN 0.043 nan 8.310 nan 0.000 0.498 197 P HA 0.126 nan 4.420 nan 0.000 0.245 197 P C 0.778 178.097 177.300 0.031 0.000 1.206 197 P CA -0.094 63.015 63.100 0.016 0.000 0.781 197 P CB -0.938 30.771 31.700 0.015 0.000 0.994 198 C N 1.809 121.136 119.300 0.045 0.000 2.638 198 C HA 0.209 4.669 4.460 -0.000 0.000 0.410 198 C C 0.800 175.832 174.990 0.071 0.000 1.404 198 C CA -0.782 58.285 59.018 0.082 0.000 1.651 198 C CB -0.941 26.891 27.740 0.153 0.000 2.495 198 C HN 0.190 nan 8.230 nan 0.000 0.606 199 Q N 3.015 122.851 119.800 0.059 0.000 2.513 199 Q HA 0.219 4.559 4.340 -0.000 0.000 0.227 199 Q C -0.014 176.016 176.000 0.051 0.000 1.257 199 Q CA 0.090 55.918 55.803 0.043 0.000 0.915 199 Q CB 0.270 29.026 28.738 0.029 0.000 1.507 199 Q HN 0.871 nan 8.270 nan 0.000 0.543 200 L N 2.215 123.476 121.223 0.063 0.000 2.490 200 L HA -0.086 4.254 4.340 -0.000 0.000 0.274 200 L C 1.186 178.075 176.870 0.033 0.000 1.201 200 L CA 1.036 55.918 54.840 0.071 0.000 0.869 200 L CB 0.512 42.619 42.059 0.080 0.000 1.123 200 L HN 0.513 nan 8.230 nan 0.000 0.484 201 E N 3.056 123.263 120.200 0.012 0.000 2.290 201 E HA 0.342 4.691 4.350 -0.000 0.000 0.197 201 E C -0.365 176.229 176.600 -0.009 0.000 0.948 201 E CA 0.462 56.859 56.400 -0.005 0.000 0.895 201 E CB 0.480 30.165 29.700 -0.025 0.000 0.865 201 E HN 0.679 nan 8.360 nan 0.000 0.486 202 A N 1.181 123.996 122.820 -0.009 0.000 2.488 202 A HA 0.537 4.856 4.320 -0.000 0.000 0.295 202 A C -1.888 175.698 177.584 0.004 0.000 1.045 202 A CA -0.622 51.406 52.037 -0.015 0.000 0.703 202 A CB 1.247 20.220 19.000 -0.045 0.000 1.271 202 A HN 0.072 nan 8.150 nan 0.000 0.400 203 L N 1.750 122.978 121.223 0.008 0.000 2.356 203 L HA 0.714 5.054 4.340 -0.000 0.000 0.277 203 L C -0.757 176.120 176.870 0.010 0.000 0.996 203 L CA -0.165 54.687 54.840 0.020 0.000 0.822 203 L CB 1.551 43.625 42.059 0.025 0.000 1.256 203 L HN 0.634 nan 8.230 nan 0.000 0.413 204 K N 6.878 127.283 120.400 0.007 0.000 2.502 204 K HA 0.592 4.912 4.320 -0.000 0.000 0.254 204 K C -1.121 175.479 176.600 -0.000 0.000 0.947 204 K CA -0.423 55.868 56.287 0.007 0.000 0.834 204 K CB 1.763 34.257 32.500 -0.010 0.000 1.112 204 K HN 0.560 nan 8.250 nan 0.000 0.427 205 L N 2.848 124.069 121.223 -0.004 0.000 2.804 205 L HA 0.249 4.589 4.340 -0.000 0.000 0.294 205 L C -0.432 176.407 176.870 -0.052 0.000 1.355 205 L CA -0.373 54.449 54.840 -0.029 0.000 0.749 205 L CB 0.661 42.703 42.059 -0.030 0.000 1.103 205 L HN 0.514 nan 8.230 nan 0.000 0.542 206 E N -0.018 120.158 120.200 -0.040 0.000 2.343 206 E HA 0.324 4.673 4.350 -0.000 0.000 0.269 206 E C 0.319 176.843 176.600 -0.127 0.000 1.047 206 E CA -0.462 55.887 56.400 -0.084 0.000 0.874 206 E CB 1.102 30.826 29.700 0.041 0.000 1.033 206 E HN 0.256 nan 8.360 nan 0.000 0.409 207 S N 0.446 116.030 115.700 -0.194 0.000 3.631 207 S HA -0.179 4.291 4.470 -0.000 0.000 0.366 207 S C 0.224 174.737 174.600 -0.144 0.000 0.993 207 S CA 0.311 58.407 58.200 -0.173 0.000 1.167 207 S CB -1.516 61.592 63.200 -0.153 0.000 0.909 207 S HN 0.643 nan 8.310 nan 0.000 0.478 208 C N 0.286 119.511 119.300 -0.124 0.000 3.125 208 C HA 0.533 4.993 4.460 -0.000 0.000 0.284 208 C C 1.841 176.783 174.990 -0.079 0.000 1.386 208 C CA -0.090 58.870 59.018 -0.096 0.000 1.763 208 C CB -0.684 27.007 27.740 -0.081 0.000 2.377 208 C HN 1.292 nan 8.230 nan 0.000 0.620 209 G N 1.644 110.393 108.800 -0.086 0.000 2.198 209 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 209 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 209 G C 0.052 174.913 174.900 -0.065 0.000 1.025 209 G CA 0.381 45.439 45.100 -0.070 0.000 0.769 209 G HN 0.434 nan 8.290 nan 0.000 0.507 210 V N 1.509 121.377 119.914 -0.076 0.000 2.585 210 V HA 0.482 4.602 4.120 -0.000 0.000 0.296 210 V C 1.300 177.357 176.094 -0.063 0.000 1.035 210 V CA 0.728 62.989 62.300 -0.066 0.000 1.084 210 V CB 0.870 32.650 31.823 -0.073 0.000 0.953 210 V HN 0.785 nan 8.190 nan 0.000 0.483 211 T N 1.235 115.760 114.554 -0.049 0.000 2.948 211 T HA 0.336 4.685 4.350 -0.000 0.000 0.285 211 T C 1.212 175.888 174.700 -0.039 0.000 1.019 211 T CA -0.129 61.944 62.100 -0.044 0.000 1.013 211 T CB 1.537 70.383 68.868 -0.036 0.000 1.117 211 T HN 0.447 nan 8.240 nan 0.000 0.533 212 S N 0.906 116.585 115.700 -0.036 0.000 2.359 212 S HA -0.163 4.306 4.470 -0.000 0.000 0.223 212 S C 1.617 176.203 174.600 -0.024 0.000 1.039 212 S CA 1.682 59.864 58.200 -0.029 0.000 1.042 212 S CB -0.652 62.532 63.200 -0.025 0.000 0.915 212 S HN 0.802 nan 8.310 nan 0.000 0.439 213 D N 1.189 121.576 120.400 -0.022 0.000 2.178 213 D HA -0.058 4.582 4.640 -0.000 0.000 0.201 213 D C 1.544 177.832 176.300 -0.019 0.000 0.980 213 D CA 0.791 54.780 54.000 -0.018 0.000 0.842 213 D CB -0.676 40.113 40.800 -0.017 0.000 0.948 213 D HN 0.487 nan 8.370 nan 0.000 0.472 214 N N -0.234 118.452 118.700 -0.024 0.000 2.289 214 N HA -0.107 4.632 4.740 -0.000 0.000 0.184 214 N C 1.521 177.018 175.510 -0.022 0.000 1.016 214 N CA 0.447 53.483 53.050 -0.024 0.000 0.872 214 N CB 0.001 38.470 38.487 -0.030 0.000 0.973 214 N HN 0.112 nan 8.380 nan 0.000 0.433 215 C N 0.673 119.960 119.300 -0.022 0.000 2.430 215 C HA 0.010 4.470 4.460 -0.000 0.000 0.288 215 C C 2.549 177.532 174.990 -0.012 0.000 1.448 215 C CA 0.303 59.311 59.018 -0.017 0.000 1.784 215 C CB -1.236 26.494 27.740 -0.017 0.000 1.776 215 C HN 0.417 nan 8.230 nan 0.000 0.547 216 R N 1.119 121.612 120.500 -0.012 0.000 2.112 216 R HA -0.025 4.315 4.340 -0.000 0.000 0.216 216 R C 1.538 177.830 176.300 -0.013 0.000 1.080 216 R CA 1.328 57.422 56.100 -0.010 0.000 0.996 216 R CB -0.639 29.656 30.300 -0.009 0.000 0.902 216 R HN 0.453 nan 8.270 nan 0.000 0.449 217 D N 1.140 121.530 120.400 -0.016 0.000 2.097 217 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 217 D C 2.029 178.318 176.300 -0.019 0.000 0.989 217 D CA 1.208 55.197 54.000 -0.018 0.000 0.827 217 D CB -0.062 40.727 40.800 -0.019 0.000 0.966 217 D HN 0.222 nan 8.370 nan 0.000 0.456 218 L N 0.565 121.778 121.223 -0.017 0.000 2.191 218 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 218 L C 2.819 179.680 176.870 -0.016 0.000 1.103 218 L CA 0.345 55.176 54.840 -0.014 0.000 0.769 218 L CB -0.404 41.649 42.059 -0.011 0.000 0.908 218 L HN 0.172 nan 8.230 nan 0.000 0.438 219 C N 0.697 119.987 119.300 -0.015 0.000 2.413 219 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 219 C C 2.962 177.927 174.990 -0.041 0.000 1.228 219 C CA 1.233 60.240 59.018 -0.017 0.000 1.731 219 C CB -1.259 26.476 27.740 -0.007 0.000 2.042 219 C HN 0.658 nan 8.230 nan 0.000 0.468 220 G N 0.506 109.282 108.800 -0.039 0.000 2.462 220 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 220 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 220 G C 1.383 176.246 174.900 -0.061 0.000 1.121 220 G CA 1.090 46.157 45.100 -0.055 0.000 0.758 220 G HN 0.520 nan 8.290 nan 0.000 0.559 221 I N 0.616 121.161 120.570 -0.043 0.000 2.277 221 I HA -0.046 4.124 4.170 -0.000 0.000 0.243 221 I C 2.927 179.020 176.117 -0.041 0.000 1.094 221 I CA 0.564 61.844 61.300 -0.034 0.000 1.393 221 I CB -1.141 36.849 38.000 -0.017 0.000 1.078 221 I HN 0.029 nan 8.210 nan 0.000 0.417 222 V N 1.446 121.337 119.914 -0.039 0.000 2.407 222 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 222 V C 1.871 177.916 176.094 -0.081 0.000 1.055 222 V CA 1.554 63.834 62.300 -0.034 0.000 1.049 222 V CB -0.901 30.916 31.823 -0.010 0.000 0.662 222 V HN 0.460 nan 8.190 nan 0.000 0.455 223 A N -1.466 121.256 122.820 -0.164 0.000 3.105 223 A HA 0.488 4.807 4.320 -0.000 0.000 0.272 223 A C 1.315 178.735 177.584 -0.273 0.000 1.466 223 A CA 0.899 52.707 52.037 -0.381 0.000 1.101 223 A CB 0.008 18.605 19.000 -0.672 0.000 1.065 223 A HN 0.345 nan 8.150 nan 0.000 0.643 224 S N -1.029 114.590 115.700 -0.135 0.000 2.389 224 S HA 0.128 4.598 4.470 -0.000 0.000 0.261 224 S C -0.353 174.226 174.600 -0.036 0.000 0.992 224 S CA -0.114 58.039 58.200 -0.079 0.000 1.497 224 S CB 0.120 63.281 63.200 -0.066 0.000 1.217 224 S HN 0.304 nan 8.310 nan 0.000 0.633 225 K N 2.095 122.479 120.400 -0.026 0.000 2.624 225 K HA 0.553 4.872 4.320 -0.000 0.000 0.200 225 K C 0.640 177.243 176.600 0.004 0.000 1.036 225 K CA 0.176 56.461 56.287 -0.004 0.000 1.029 225 K CB 0.723 33.225 32.500 0.004 0.000 1.317 225 K HN 0.189 nan 8.250 nan 0.000 0.555 226 A N 1.215 124.040 122.820 0.009 0.000 2.084 226 A HA -0.194 4.125 4.320 -0.000 0.000 0.221 226 A C 1.938 179.533 177.584 0.018 0.000 1.161 226 A CA 2.353 54.400 52.037 0.017 0.000 0.653 226 A CB -0.278 18.735 19.000 0.021 0.000 0.802 226 A HN 0.584 nan 8.150 nan 0.000 0.457 227 S N -1.126 114.583 115.700 0.016 0.000 2.489 227 S HA 0.125 4.594 4.470 -0.000 0.000 0.228 227 S C 0.628 175.237 174.600 0.015 0.000 0.995 227 S CA 0.060 58.269 58.200 0.016 0.000 0.934 227 S CB -0.629 62.581 63.200 0.016 0.000 0.771 227 S HN 0.362 nan 8.310 nan 0.000 0.522 228 L N 3.154 124.386 121.223 0.016 0.000 2.615 228 L HA 0.172 4.512 4.340 -0.000 0.000 0.271 228 L C 1.179 178.060 176.870 0.017 0.000 1.183 228 L CA 0.172 55.022 54.840 0.016 0.000 0.933 228 L CB 0.297 42.366 42.059 0.016 0.000 1.199 228 L HN 0.081 nan 8.230 nan 0.000 0.487 229 R N 2.924 123.431 120.500 0.011 0.000 2.191 229 R HA 0.259 4.599 4.340 -0.000 0.000 0.196 229 R C -0.038 176.269 176.300 0.011 0.000 0.991 229 R CA 0.317 56.425 56.100 0.012 0.000 1.075 229 R CB -0.018 30.284 30.300 0.003 0.000 1.040 229 R HN 0.700 nan 8.270 nan 0.000 0.526 230 E N 0.810 121.008 120.200 -0.003 0.000 2.234 230 E HA 0.372 4.722 4.350 -0.000 0.000 0.266 230 E C -1.636 174.965 176.600 0.001 0.000 0.877 230 E CA -0.720 55.670 56.400 -0.017 0.000 0.758 230 E CB 1.473 31.129 29.700 -0.073 0.000 1.170 230 E HN -0.138 nan 8.360 nan 0.000 0.415 231 L N 3.867 125.109 121.223 0.032 0.000 2.406 231 L HA 0.675 5.015 4.340 -0.000 0.000 0.270 231 L C -1.637 175.293 176.870 0.099 0.000 0.982 231 L CA -0.320 54.551 54.840 0.051 0.000 0.843 231 L CB 1.440 43.534 42.059 0.058 0.000 1.225 231 L HN 0.550 nan 8.230 nan 0.000 0.412 232 A N 5.758 128.630 122.820 0.087 0.000 2.287 232 A HA 0.772 5.092 4.320 -0.000 0.000 0.317 232 A C -0.364 177.286 177.584 0.110 0.000 1.220 232 A CA -0.318 51.823 52.037 0.174 0.000 0.835 232 A CB 0.609 19.686 19.000 0.129 0.000 1.180 232 A HN 0.795 nan 8.150 nan 0.000 0.500 233 L N 3.255 124.533 121.223 0.092 0.000 3.431 233 L HA 0.268 4.608 4.340 -0.000 0.000 0.316 233 L C 1.187 177.941 176.870 -0.192 0.000 1.305 233 L CA -0.374 54.444 54.840 -0.036 0.000 0.995 233 L CB 0.597 42.637 42.059 -0.031 0.000 1.411 233 L HN 0.841 nan 8.230 nan 0.000 0.610 234 G N -0.741 107.886 108.800 -0.287 0.000 2.732 234 G HA2 0.152 4.112 3.960 -0.000 0.000 0.244 234 G HA3 0.152 4.112 3.960 -0.000 0.000 0.244 234 G C 0.671 174.967 174.900 -1.006 0.000 1.226 234 G CA 0.472 44.944 45.100 -1.046 0.000 0.860 234 G HN 0.237 nan 8.290 nan 0.000 0.583 235 S N -0.300 114.609 115.700 -1.318 0.000 3.524 235 S HA -0.177 4.293 4.470 -0.000 0.000 0.377 235 S C -0.074 174.278 174.600 -0.412 0.000 0.949 235 S CA 0.843 58.571 58.200 -0.788 0.000 1.264 235 S CB -1.621 61.125 63.200 -0.757 0.000 0.918 235 S HN 0.800 nan 8.310 nan 0.000 0.517 236 N N 1.586 120.088 118.700 -0.330 0.000 2.425 236 N HA 0.171 4.911 4.740 -0.000 0.000 0.289 236 N C -0.819 174.593 175.510 -0.164 0.000 1.074 236 N CA -0.803 52.123 53.050 -0.205 0.000 0.905 236 N CB 1.437 39.819 38.487 -0.175 0.000 1.586 236 N HN 0.325 nan 8.380 nan 0.000 0.490 237 K N 2.593 122.921 120.400 -0.120 0.000 3.256 237 K HA 0.114 4.434 4.320 -0.000 0.000 0.285 237 K C 1.447 178.002 176.600 -0.076 0.000 1.086 237 K CA 0.050 56.282 56.287 -0.091 0.000 1.125 237 K CB -0.261 32.197 32.500 -0.070 0.000 1.292 237 K HN 0.432 nan 8.250 nan 0.000 0.312 238 L N 0.550 121.722 121.223 -0.086 0.000 1.978 238 L HA -0.239 4.101 4.340 -0.000 0.000 0.218 238 L C 1.266 178.108 176.870 -0.047 0.000 1.075 238 L CA 1.599 56.400 54.840 -0.065 0.000 0.767 238 L CB -1.001 41.018 42.059 -0.068 0.000 0.890 238 L HN 0.740 nan 8.230 nan 0.000 0.434 239 G N -1.117 107.656 108.800 -0.044 0.000 2.612 239 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 239 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 239 G C -0.256 174.631 174.900 -0.021 0.000 1.274 239 G CA -0.170 44.911 45.100 -0.030 0.000 0.849 239 G HN 0.106 nan 8.290 nan 0.000 0.595 240 D N -0.616 119.776 120.400 -0.013 0.000 2.144 240 D HA -0.060 4.579 4.640 -0.000 0.000 0.200 240 D C 2.774 179.071 176.300 -0.005 0.000 0.978 240 D CA 1.528 55.525 54.000 -0.006 0.000 0.833 240 D CB -0.049 40.750 40.800 -0.001 0.000 0.961 240 D HN 0.299 nan 8.370 nan 0.000 0.470 241 V N 1.325 121.234 119.914 -0.007 0.000 2.295 241 V HA -0.185 3.934 4.120 -0.000 0.000 0.246 241 V C 2.635 178.725 176.094 -0.007 0.000 1.049 241 V CA 2.076 64.373 62.300 -0.006 0.000 1.024 241 V CB -1.098 30.720 31.823 -0.008 0.000 0.648 241 V HN 0.221 nan 8.190 nan 0.000 0.447 242 G N -0.383 108.409 108.800 -0.013 0.000 2.513 242 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.219 242 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.219 242 G C 1.549 176.444 174.900 -0.008 0.000 1.160 242 G CA 1.366 46.458 45.100 -0.015 0.000 0.767 242 G HN 0.299 nan 8.290 nan 0.000 0.571 243 M N 1.165 120.761 119.600 -0.006 0.000 2.080 243 M HA -0.033 4.447 4.480 -0.000 0.000 0.260 243 M C 3.060 179.365 176.300 0.008 0.000 1.068 243 M CA 1.375 56.676 55.300 0.003 0.000 1.109 243 M CB -1.431 31.173 32.600 0.005 0.000 1.342 243 M HN 0.341 nan 8.290 nan 0.000 0.405 244 A N -0.004 122.820 122.820 0.006 0.000 1.892 244 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 244 A C 2.006 179.597 177.584 0.011 0.000 1.188 244 A CA 1.984 54.026 52.037 0.009 0.000 0.631 244 A CB -0.867 18.136 19.000 0.005 0.000 0.822 244 A HN 0.619 nan 8.150 nan 0.000 0.447 245 E N -1.026 119.178 120.200 0.008 0.000 2.478 245 E HA -0.022 4.327 4.350 -0.000 0.000 0.198 245 E C 1.343 177.950 176.600 0.013 0.000 1.046 245 E CA 0.135 56.540 56.400 0.009 0.000 0.870 245 E CB -0.034 29.668 29.700 0.003 0.000 0.818 245 E HN 0.427 nan 8.360 nan 0.000 0.527 246 L N -0.381 120.850 121.223 0.014 0.000 2.202 246 L HA -0.063 4.276 4.340 -0.000 0.000 0.205 246 L C 2.027 178.915 176.870 0.030 0.000 1.083 246 L CA 0.898 55.748 54.840 0.018 0.000 0.790 246 L CB -0.359 41.710 42.059 0.016 0.000 0.942 246 L HN 0.244 nan 8.230 nan 0.000 0.452 247 C N 0.232 119.551 119.300 0.032 0.000 2.401 247 C HA -0.151 4.309 4.460 -0.000 0.000 0.276 247 C C 0.146 175.171 174.990 0.059 0.000 1.233 247 C CA 0.716 59.758 59.018 0.040 0.000 1.753 247 C CB -1.813 25.946 27.740 0.031 0.000 2.029 247 C HN 0.352 nan 8.230 nan 0.000 0.478 248 P HA -0.068 nan 4.420 nan 0.000 0.217 248 P C 1.587 179.004 177.300 0.195 0.000 1.148 248 P CA 2.381 65.546 63.100 0.107 0.000 0.828 248 P CB -0.312 31.440 31.700 0.088 0.000 0.783 249 G N -0.686 108.177 108.800 0.105 0.000 2.395 249 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.214 249 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.214 249 G C 1.453 176.407 174.900 0.090 0.000 1.177 249 G CA 0.313 45.446 45.100 0.054 0.000 0.794 249 G HN 0.198 nan 8.290 nan 0.000 0.532 250 L N 0.163 121.430 121.223 0.073 0.000 2.012 250 L HA -0.007 4.332 4.340 -0.000 0.000 0.210 250 L C 2.699 179.619 176.870 0.084 0.000 1.073 250 L CA 0.692 55.573 54.840 0.069 0.000 0.748 250 L CB -0.467 41.625 42.059 0.056 0.000 0.891 250 L HN 0.135 nan 8.230 nan 0.000 0.431 251 L N -1.235 120.038 121.223 0.084 0.000 2.633 251 L HA -0.103 4.237 4.340 -0.000 0.000 0.235 251 L C 0.560 177.469 176.870 0.065 0.000 1.163 251 L CA -0.111 54.765 54.840 0.059 0.000 0.859 251 L CB -0.803 41.277 42.059 0.035 0.000 0.973 251 L HN 0.212 nan 8.230 nan 0.000 0.451 252 H N 0.058 119.133 119.070 0.008 0.000 2.848 252 H HA 0.033 4.589 4.556 -0.000 0.000 0.341 252 H C -1.375 173.957 175.328 0.007 0.000 1.060 252 H CA -1.087 54.965 56.048 0.007 0.000 1.444 252 H CB 0.893 30.660 29.762 0.009 0.000 1.446 252 H HN -0.182 nan 8.280 nan 0.000 0.583 253 P HA -0.205 nan 4.420 nan 0.000 0.216 253 P C 1.307 178.644 177.300 0.063 0.000 1.150 253 P CA 2.015 65.131 63.100 0.027 0.000 0.837 253 P CB 0.229 31.924 31.700 -0.009 0.000 0.786 254 S N -2.040 113.723 115.700 0.106 0.000 2.481 254 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 254 S C 1.236 175.878 174.600 0.070 0.000 0.996 254 S CA 0.074 58.325 58.200 0.084 0.000 0.942 254 S CB -1.101 62.155 63.200 0.093 0.000 0.768 254 S HN 0.041 nan 8.310 nan 0.000 0.520 255 S N 1.528 117.281 115.700 0.089 0.000 2.537 255 S HA 0.253 4.723 4.470 -0.000 0.000 0.286 255 S C 0.446 175.075 174.600 0.047 0.000 1.299 255 S CA -0.436 57.801 58.200 0.062 0.000 1.067 255 S CB 0.076 63.321 63.200 0.074 0.000 0.864 255 S HN 0.417 nan 8.310 nan 0.000 0.494 256 R N 3.306 123.829 120.500 0.038 0.000 2.637 256 R HA 0.200 4.540 4.340 -0.000 0.000 0.446 256 R C -0.753 175.568 176.300 0.036 0.000 1.024 256 R CA -0.519 55.601 56.100 0.034 0.000 1.080 256 R CB -0.394 29.924 30.300 0.029 0.000 1.421 256 R HN 0.596 nan 8.270 nan 0.000 0.593 257 L N 1.591 122.838 121.223 0.041 0.000 2.559 257 L HA 0.060 4.399 4.340 -0.000 0.000 0.274 257 L C 1.588 178.491 176.870 0.057 0.000 1.205 257 L CA 0.763 55.631 54.840 0.047 0.000 0.907 257 L CB 0.549 42.640 42.059 0.054 0.000 1.153 257 L HN 0.141 nan 8.230 nan 0.000 0.490 258 R N 1.901 122.436 120.500 0.058 0.000 2.175 258 R HA 0.177 4.517 4.340 -0.000 0.000 0.202 258 R C -0.321 176.044 176.300 0.108 0.000 1.018 258 R CA 0.580 56.723 56.100 0.072 0.000 1.029 258 R CB 0.448 30.782 30.300 0.057 0.000 0.959 258 R HN 0.735 nan 8.270 nan 0.000 0.480 259 T N 1.347 115.962 114.554 0.101 0.000 2.840 259 T HA 0.387 4.736 4.350 -0.000 0.000 0.287 259 T C -1.661 173.147 174.700 0.180 0.000 0.991 259 T CA -0.526 61.661 62.100 0.144 0.000 0.964 259 T CB 1.892 70.770 68.868 0.016 0.000 0.954 259 T HN 0.004 nan 8.240 nan 0.000 0.438 260 L N 3.486 124.893 121.223 0.307 0.000 2.343 260 L HA 0.549 4.888 4.340 -0.000 0.000 0.278 260 L C -1.487 175.693 176.870 0.517 0.000 0.996 260 L CA -0.615 54.408 54.840 0.305 0.000 0.831 260 L CB 0.986 43.172 42.059 0.211 0.000 1.232 260 L HN 0.773 nan 8.230 nan 0.000 0.413 261 W N 8.333 129.682 121.300 0.083 0.000 2.283 261 W HA 0.467 5.126 4.660 -0.000 0.000 0.317 261 W C -0.344 176.242 176.519 0.111 0.000 1.042 261 W CA -0.742 56.683 57.345 0.133 0.000 1.348 261 W CB 1.325 30.872 29.460 0.145 0.000 1.216 261 W HN 0.535 nan 8.180 nan 0.000 0.404 262 I N 4.133 124.740 120.570 0.061 0.000 2.931 262 I HA 0.217 4.387 4.170 -0.000 0.000 0.322 262 I C -0.212 175.840 176.117 -0.110 0.000 1.446 262 I CA -0.632 60.631 61.300 -0.062 0.000 0.825 262 I CB -0.381 37.610 38.000 -0.015 0.000 2.195 262 I HN 0.136 nan 8.210 nan 0.000 0.608 263 W N 1.756 122.889 121.300 -0.279 0.000 2.315 263 W HA 0.499 5.159 4.660 -0.000 0.000 0.316 263 W C 0.032 176.451 176.519 -0.166 0.000 1.211 263 W CA -0.779 56.400 57.345 -0.276 0.000 1.201 263 W CB 0.084 29.303 29.460 -0.401 0.000 1.184 263 W HN 0.510 nan 8.180 nan 0.000 0.544 264 E N 1.128 121.293 120.200 -0.058 0.000 2.252 264 E HA -0.215 4.134 4.350 -0.000 0.000 0.218 264 E C -0.006 176.444 176.600 -0.250 0.000 1.253 264 E CA 0.300 56.614 56.400 -0.143 0.000 0.705 264 E CB -1.460 28.174 29.700 -0.110 0.000 1.172 264 E HN 0.529 nan 8.360 nan 0.000 0.369 265 C N 0.654 119.842 119.300 -0.187 0.000 2.863 265 C HA 0.362 4.822 4.460 -0.000 0.000 0.284 265 C C 1.470 176.397 174.990 -0.104 0.000 1.426 265 C CA 0.289 59.205 59.018 -0.172 0.000 1.782 265 C CB -0.409 27.231 27.740 -0.168 0.000 2.554 265 C HN 0.891 nan 8.230 nan 0.000 0.566 266 G N 2.194 110.944 108.800 -0.083 0.000 2.298 266 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.287 266 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.287 266 G C -0.338 174.539 174.900 -0.038 0.000 1.075 266 G CA 0.063 45.130 45.100 -0.055 0.000 0.960 266 G HN 0.600 nan 8.290 nan 0.000 0.502 267 I N 0.558 121.109 120.570 -0.031 0.000 2.474 267 I HA 0.660 4.829 4.170 -0.000 0.000 0.294 267 I C 0.893 177.012 176.117 0.002 0.000 1.005 267 I CA -0.312 60.981 61.300 -0.012 0.000 1.113 267 I CB 2.146 40.141 38.000 -0.009 0.000 1.289 267 I HN 0.368 nan 8.210 nan 0.000 0.436 268 T N 1.178 115.740 114.554 0.013 0.000 2.644 268 T HA 0.561 4.911 4.350 -0.000 0.000 0.253 268 T C 1.122 175.846 174.700 0.041 0.000 0.910 268 T CA 0.063 62.179 62.100 0.027 0.000 1.066 268 T CB 1.011 69.892 68.868 0.021 0.000 1.484 268 T HN 0.487 nan 8.240 nan 0.000 0.560 269 A N 0.525 123.372 122.820 0.045 0.000 1.908 269 A HA -0.046 4.273 4.320 -0.000 0.000 0.218 269 A C 2.319 179.920 177.584 0.028 0.000 1.181 269 A CA 2.242 54.305 52.037 0.044 0.000 0.627 269 A CB -1.162 17.861 19.000 0.040 0.000 0.818 269 A HN 0.892 nan 8.150 nan 0.000 0.445 270 K N -0.606 119.806 120.400 0.020 0.000 2.097 270 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 270 K C 1.863 178.470 176.600 0.013 0.000 1.049 270 K CA 1.400 57.694 56.287 0.013 0.000 0.933 270 K CB -0.475 32.031 32.500 0.009 0.000 0.717 270 K HN 0.404 nan 8.250 nan 0.000 0.442 271 G N 0.124 108.933 108.800 0.016 0.000 2.534 271 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 271 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 271 G C 1.445 176.359 174.900 0.024 0.000 1.128 271 G CA 0.543 45.653 45.100 0.016 0.000 0.784 271 G HN 0.366 nan 8.290 nan 0.000 0.542 272 C N 0.700 120.018 119.300 0.030 0.000 2.462 272 C HA 0.110 4.570 4.460 -0.000 0.000 0.278 272 C C 3.287 178.290 174.990 0.022 0.000 1.253 272 C CA 0.808 59.848 59.018 0.036 0.000 1.713 272 C CB -1.021 26.746 27.740 0.045 0.000 2.049 272 C HN 0.474 nan 8.230 nan 0.000 0.477 273 G N 0.759 109.566 108.800 0.012 0.000 2.545 273 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.222 273 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.222 273 G C 1.005 175.909 174.900 0.007 0.000 1.126 273 G CA 1.906 47.008 45.100 0.004 0.000 0.754 273 G HN 0.561 nan 8.290 nan 0.000 0.583 274 D N -0.299 120.108 120.400 0.012 0.000 2.097 274 D HA -0.053 4.587 4.640 -0.000 0.000 0.197 274 D C 2.274 178.586 176.300 0.020 0.000 0.984 274 D CA 0.463 54.472 54.000 0.014 0.000 0.826 274 D CB -0.256 40.553 40.800 0.014 0.000 0.973 274 D HN 0.246 nan 8.370 nan 0.000 0.460 275 L N 0.034 121.272 121.223 0.026 0.000 2.156 275 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 275 L C 1.795 178.683 176.870 0.030 0.000 1.095 275 L CA 1.085 55.945 54.840 0.034 0.000 0.770 275 L CB -0.088 41.998 42.059 0.046 0.000 0.914 275 L HN 0.130 nan 8.230 nan 0.000 0.439 276 C N -0.661 118.651 119.300 0.021 0.000 2.425 276 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 276 C C 2.731 177.724 174.990 0.005 0.000 1.280 276 C CA 0.658 59.682 59.018 0.010 0.000 1.744 276 C CB -1.082 26.656 27.740 -0.002 0.000 1.989 276 C HN 0.494 nan 8.230 nan 0.000 0.491 277 R N 0.278 120.782 120.500 0.006 0.000 2.096 277 R HA -0.103 4.236 4.340 -0.000 0.000 0.235 277 R C 2.031 178.335 176.300 0.007 0.000 1.127 277 R CA 1.295 57.397 56.100 0.004 0.000 0.968 277 R CB -0.434 29.869 30.300 0.005 0.000 0.861 277 R HN 0.415 nan 8.270 nan 0.000 0.440 278 V N 1.133 121.057 119.914 0.016 0.000 2.379 278 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 278 V C 2.231 178.334 176.094 0.016 0.000 1.044 278 V CA 1.424 63.736 62.300 0.021 0.000 1.036 278 V CB -0.357 31.486 31.823 0.034 0.000 0.664 278 V HN 0.241 nan 8.190 nan 0.000 0.453 279 L N -0.221 121.012 121.223 0.017 0.000 1.970 279 L HA -0.226 4.113 4.340 -0.000 0.000 0.212 279 L C 2.723 179.585 176.870 -0.014 0.000 1.071 279 L CA 2.148 56.993 54.840 0.009 0.000 0.751 279 L CB -0.639 41.431 42.059 0.017 0.000 0.889 279 L HN 0.221 nan 8.230 nan 0.000 0.432 280 R N -0.113 120.379 120.500 -0.014 0.000 2.152 280 R HA -0.159 4.180 4.340 -0.000 0.000 0.232 280 R C 2.143 178.428 176.300 -0.026 0.000 1.117 280 R CA 1.316 57.402 56.100 -0.024 0.000 0.981 280 R CB -0.104 30.185 30.300 -0.018 0.000 0.870 280 R HN 0.400 nan 8.270 nan 0.000 0.451 281 A N 0.269 123.079 122.820 -0.016 0.000 1.911 281 A HA 0.067 4.386 4.320 -0.000 0.000 0.212 281 A C 0.324 177.898 177.584 -0.016 0.000 1.189 281 A CA 0.627 52.655 52.037 -0.014 0.000 0.639 281 A CB 0.269 19.265 19.000 -0.006 0.000 0.839 281 A HN 0.001 nan 8.150 nan 0.000 0.449 282 K N 1.885 122.279 120.400 -0.010 0.000 2.257 282 K HA 0.133 4.453 4.320 -0.000 0.000 0.270 282 K C 0.255 176.839 176.600 -0.027 0.000 1.098 282 K CA -0.185 56.098 56.287 -0.007 0.000 0.943 282 K CB 1.082 33.591 32.500 0.014 0.000 1.316 282 K HN 0.622 nan 8.250 nan 0.000 0.447 283 E N 1.418 121.590 120.200 -0.046 0.000 2.478 283 E HA -0.118 4.231 4.350 -0.000 0.000 0.198 283 E C 0.590 177.159 176.600 -0.052 0.000 1.046 283 E CA 0.756 57.105 56.400 -0.085 0.000 0.870 283 E CB 0.066 29.707 29.700 -0.098 0.000 0.818 283 E HN 0.339 nan 8.360 nan 0.000 0.527 284 S N 0.528 116.219 115.700 -0.015 0.000 2.461 284 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 284 S C 1.058 175.673 174.600 0.024 0.000 1.005 284 S CA -0.215 57.989 58.200 0.008 0.000 0.942 284 S CB -0.351 62.861 63.200 0.019 0.000 0.776 284 S HN 0.218 nan 8.310 nan 0.000 0.514 285 L N 2.707 123.945 121.223 0.025 0.000 2.407 285 L HA 0.362 4.701 4.340 -0.000 0.000 0.282 285 L C 0.794 177.699 176.870 0.058 0.000 1.110 285 L CA 0.085 54.958 54.840 0.055 0.000 0.863 285 L CB 0.367 42.462 42.059 0.060 0.000 1.207 285 L HN -0.064 nan 8.230 nan 0.000 0.454 286 K N 3.252 123.705 120.400 0.088 0.000 2.287 286 K HA 0.246 4.566 4.320 -0.000 0.000 0.199 286 K C -0.244 176.447 176.600 0.152 0.000 1.061 286 K CA 0.540 56.886 56.287 0.098 0.000 0.976 286 K CB 0.511 33.069 32.500 0.096 0.000 0.898 286 K HN 0.611 nan 8.250 nan 0.000 0.492 287 E N 1.158 121.501 120.200 0.238 0.000 2.210 287 E HA 0.442 4.792 4.350 -0.000 0.000 0.266 287 E C -1.227 175.677 176.600 0.507 0.000 0.883 287 E CA -0.817 55.841 56.400 0.430 0.000 0.761 287 E CB 2.040 32.096 29.700 0.594 0.000 1.156 287 E HN -0.156 nan 8.360 nan 0.000 0.412 288 L N 1.551 123.121 121.223 0.577 0.000 2.470 288 L HA 0.415 4.755 4.340 -0.000 0.000 0.268 288 L C -1.391 175.742 176.870 0.439 0.000 0.964 288 L CA -0.251 54.860 54.840 0.452 0.000 0.839 288 L CB 2.245 44.458 42.059 0.256 0.000 1.276 288 L HN 0.468 nan 8.230 nan 0.000 0.403 289 S N 5.143 120.931 115.700 0.147 0.000 2.478 289 S HA 0.667 5.136 4.470 -0.000 0.000 0.312 289 S C -0.149 174.377 174.600 -0.124 0.000 1.094 289 S CA -0.487 57.587 58.200 -0.211 0.000 1.081 289 S CB 0.749 63.143 63.200 -1.342 0.000 1.007 289 S HN 0.729 nan 8.310 nan 0.000 0.475 290 L N 3.881 125.085 121.223 -0.032 0.000 3.202 290 L HA 0.456 4.796 4.340 -0.000 0.000 0.278 290 L C 0.867 177.717 176.870 -0.034 0.000 1.268 290 L CA -0.451 54.385 54.840 -0.007 0.000 1.034 290 L CB 0.180 42.272 42.059 0.055 0.000 1.407 290 L HN 0.753 nan 8.230 nan 0.000 0.581 291 A N -0.025 122.750 122.820 -0.074 0.000 2.540 291 A HA 0.409 4.729 4.320 -0.000 0.000 0.239 291 A C 1.484 179.059 177.584 -0.015 0.000 1.061 291 A CA 0.854 52.841 52.037 -0.083 0.000 0.758 291 A CB -0.137 18.761 19.000 -0.171 0.000 0.991 291 A HN 0.697 nan 8.150 nan 0.000 0.502 292 G N 1.866 110.633 108.800 -0.056 0.000 2.153 292 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.252 292 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.252 292 G C 0.020 174.898 174.900 -0.036 0.000 0.994 292 G CA 0.325 45.410 45.100 -0.025 0.000 0.698 292 G HN 0.852 nan 8.290 nan 0.000 0.521 293 N N 0.421 119.086 118.700 -0.060 0.000 2.405 293 N HA 0.313 5.053 4.740 -0.000 0.000 0.299 293 N C 0.051 175.527 175.510 -0.057 0.000 1.075 293 N CA -0.467 52.555 53.050 -0.047 0.000 0.884 293 N CB 0.984 39.455 38.487 -0.028 0.000 1.194 293 N HN 0.357 nan 8.380 nan 0.000 0.491 294 E N 2.317 122.499 120.200 -0.030 0.000 2.222 294 E HA 0.065 4.415 4.350 -0.000 0.000 0.312 294 E C 0.984 177.602 176.600 0.030 0.000 1.263 294 E CA -0.030 56.362 56.400 -0.013 0.000 1.356 294 E CB -0.121 29.578 29.700 -0.003 0.000 1.180 294 E HN 0.427 nan 8.360 nan 0.000 0.494 295 L N 0.527 121.780 121.223 0.050 0.000 2.156 295 L HA -0.004 4.335 4.340 -0.000 0.000 0.208 295 L C 1.359 178.373 176.870 0.240 0.000 1.095 295 L CA 0.593 55.532 54.840 0.164 0.000 0.770 295 L CB -1.036 41.195 42.059 0.286 0.000 0.914 295 L HN 0.512 nan 8.230 nan 0.000 0.439 296 G N 0.577 109.533 108.800 0.261 0.000 2.915 296 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.337 296 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.337 296 G C 0.104 175.234 174.900 0.383 0.000 1.477 296 G CA -0.014 45.259 45.100 0.288 0.000 0.916 296 G HN 0.244 nan 8.290 nan 0.000 0.550 297 D N -0.011 120.538 120.400 0.249 0.000 2.263 297 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 297 D C 2.116 178.434 176.300 0.030 0.000 0.971 297 D CA 1.584 55.651 54.000 0.111 0.000 0.867 297 D CB 0.092 40.949 40.800 0.095 0.000 0.929 297 D HN 0.562 nan 8.370 nan 0.000 0.492 298 E N 0.551 120.788 120.200 0.060 0.000 2.216 298 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 298 E C 2.051 178.659 176.600 0.013 0.000 0.988 298 E CA 1.029 57.440 56.400 0.018 0.000 0.834 298 E CB -0.450 29.267 29.700 0.029 0.000 0.772 298 E HN 0.211 nan 8.360 nan 0.000 0.479 299 G N 0.120 108.973 108.800 0.088 0.000 2.403 299 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 299 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 299 G C 1.651 176.582 174.900 0.051 0.000 1.154 299 G CA 0.673 45.841 45.100 0.114 0.000 0.784 299 G HN 0.393 nan 8.290 nan 0.000 0.538 300 A N 0.590 123.369 122.820 -0.069 0.000 1.968 300 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 300 A C 2.266 179.619 177.584 -0.385 0.000 1.169 300 A CA 1.624 53.448 52.037 -0.355 0.000 0.638 300 A CB -0.391 18.047 19.000 -0.938 0.000 0.812 300 A HN 0.341 nan 8.150 nan 0.000 0.446 301 R N -0.182 120.133 120.500 -0.309 0.000 2.080 301 R HA -0.101 4.238 4.340 -0.000 0.000 0.236 301 R C 1.975 178.086 176.300 -0.314 0.000 1.137 301 R CA 1.725 57.583 56.100 -0.404 0.000 0.943 301 R CB -0.451 29.679 30.300 -0.284 0.000 0.846 301 R HN 0.508 nan 8.270 nan 0.000 0.431 302 L N 0.709 121.825 121.223 -0.178 0.000 2.012 302 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 302 L C 2.545 179.349 176.870 -0.111 0.000 1.073 302 L CA 1.358 56.127 54.840 -0.118 0.000 0.748 302 L CB -0.462 41.564 42.059 -0.054 0.000 0.891 302 L HN 0.302 nan 8.230 nan 0.000 0.431 303 L N -1.214 119.953 121.223 -0.093 0.000 2.046 303 L HA -0.261 4.078 4.340 -0.000 0.000 0.208 303 L C 2.684 179.480 176.870 -0.123 0.000 1.077 303 L CA 1.122 55.929 54.840 -0.055 0.000 0.747 303 L CB -0.664 41.413 42.059 0.029 0.000 0.896 303 L HN 0.404 nan 8.230 nan 0.000 0.432 304 C N -0.191 118.946 119.300 -0.271 0.000 2.435 304 C HA -0.101 4.359 4.460 -0.000 0.000 0.279 304 C C 2.607 177.468 174.990 -0.216 0.000 1.321 304 C CA 0.441 59.263 59.018 -0.327 0.000 1.752 304 C CB -0.764 26.635 27.740 -0.568 0.000 1.959 304 C HN 0.516 nan 8.230 nan 0.000 0.500 305 E N 0.372 120.447 120.200 -0.209 0.000 2.047 305 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 305 E C 2.096 178.647 176.600 -0.082 0.000 0.987 305 E CA 1.654 57.968 56.400 -0.144 0.000 0.799 305 E CB -0.337 29.281 29.700 -0.136 0.000 0.752 305 E HN 0.582 nan 8.360 nan 0.000 0.449 306 T N 1.540 116.053 114.554 -0.069 0.000 2.867 306 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 306 T C 1.843 176.530 174.700 -0.021 0.000 1.057 306 T CA 0.669 62.747 62.100 -0.037 0.000 1.136 306 T CB -0.079 68.774 68.868 -0.026 0.000 0.874 306 T HN 0.062 nan 8.240 nan 0.000 0.466 307 L N 0.289 121.499 121.223 -0.022 0.000 2.465 307 L HA 0.152 4.491 4.340 -0.000 0.000 0.224 307 L C 1.631 178.515 176.870 0.024 0.000 1.145 307 L CA 0.690 55.538 54.840 0.014 0.000 0.834 307 L CB -0.182 41.895 42.059 0.029 0.000 0.944 307 L HN 0.251 nan 8.230 nan 0.000 0.451 308 L N -1.144 120.077 121.223 -0.004 0.000 2.640 308 L HA 0.183 4.523 4.340 -0.000 0.000 0.230 308 L C 0.210 177.089 176.870 0.014 0.000 1.123 308 L CA -0.043 54.802 54.840 0.008 0.000 0.900 308 L CB 0.256 42.306 42.059 -0.015 0.000 1.146 308 L HN 0.164 nan 8.230 nan 0.000 0.484 309 E N 0.239 120.445 120.200 0.010 0.000 2.207 309 E HA 0.369 4.719 4.350 -0.000 0.000 0.270 309 E C -2.340 174.273 176.600 0.022 0.000 0.927 309 E CA -2.155 54.251 56.400 0.010 0.000 0.799 309 E CB 1.111 30.807 29.700 -0.006 0.000 1.172 309 E HN -0.139 nan 8.360 nan 0.000 0.404 310 P HA 0.102 nan 4.420 nan 0.000 0.268 310 P C 0.296 177.597 177.300 0.001 0.000 1.205 310 P CA 0.494 63.616 63.100 0.036 0.000 0.771 310 P CB 0.836 32.559 31.700 0.037 0.000 0.858 311 G N 1.161 109.943 108.800 -0.030 0.000 1.801 311 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.203 311 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.203 311 G C -0.012 174.804 174.900 -0.139 0.000 2.274 311 G CA -0.180 44.880 45.100 -0.067 0.000 1.481 311 G HN 0.767 nan 8.290 nan 0.000 0.471 312 C N 2.600 121.834 119.300 -0.109 0.000 2.465 312 C HA 0.458 4.918 4.460 -0.000 0.000 0.402 312 C C 1.392 176.208 174.990 -0.291 0.000 1.448 312 C CA 1.434 60.371 59.018 -0.134 0.000 1.589 312 C CB -0.413 27.291 27.740 -0.060 0.000 2.535 312 C HN 0.576 nan 8.230 nan 0.000 0.600 313 Q N 3.555 123.149 119.800 -0.345 0.000 2.182 313 Q HA 0.211 4.551 4.340 -0.000 0.000 0.270 313 Q C -0.235 175.642 176.000 -0.205 0.000 0.861 313 Q CA -0.608 54.832 55.803 -0.606 0.000 1.098 313 Q CB 0.478 28.792 28.738 -0.707 0.000 1.188 313 Q HN 0.752 nan 8.270 nan 0.000 0.464 314 L N 1.412 122.591 121.223 -0.074 0.000 2.525 314 L HA -0.104 4.235 4.340 -0.000 0.000 0.278 314 L C 1.198 178.112 176.870 0.073 0.000 1.218 314 L CA 1.321 56.175 54.840 0.024 0.000 0.878 314 L CB 0.681 42.769 42.059 0.049 0.000 1.127 314 L HN 0.264 nan 8.230 nan 0.000 0.492 315 E N 1.235 121.479 120.200 0.073 0.000 2.290 315 E HA 0.087 4.437 4.350 -0.000 0.000 0.199 315 E C -0.193 176.397 176.600 -0.018 0.000 0.912 315 E CA 0.190 56.634 56.400 0.074 0.000 0.924 315 E CB 0.524 30.279 29.700 0.090 0.000 0.901 315 E HN 0.557 nan 8.360 nan 0.000 0.487 316 S N 0.583 116.225 115.700 -0.098 0.000 2.605 316 S HA 0.477 4.947 4.470 -0.000 0.000 0.308 316 S C -1.527 172.845 174.600 -0.380 0.000 1.113 316 S CA -0.846 57.106 58.200 -0.414 0.000 1.049 316 S CB 1.272 63.960 63.200 -0.853 0.000 1.001 316 S HN 0.191 nan 8.310 nan 0.000 0.480 317 L N 6.247 127.256 121.223 -0.356 0.000 2.319 317 L HA 0.657 4.997 4.340 -0.000 0.000 0.281 317 L C -1.500 175.259 176.870 -0.186 0.000 1.005 317 L CA -0.393 54.378 54.840 -0.116 0.000 0.828 317 L CB 0.812 42.893 42.059 0.037 0.000 1.227 317 L HN 0.735 nan 8.230 nan 0.000 0.415 318 W N 6.854 128.156 121.300 0.004 0.000 2.278 318 W HA 0.497 5.157 4.660 -0.000 0.000 0.317 318 W C -0.114 176.338 176.519 -0.111 0.000 1.030 318 W CA -0.605 56.674 57.345 -0.109 0.000 1.334 318 W CB 1.756 31.078 29.460 -0.232 0.000 1.215 318 W HN 0.483 nan 8.180 nan 0.000 0.405 319 V N 1.340 121.312 119.914 0.096 0.000 2.792 319 V HA 0.211 4.330 4.120 -0.000 0.000 0.360 319 V C 0.112 176.159 176.094 -0.079 0.000 1.306 319 V CA -0.874 61.450 62.300 0.040 0.000 1.245 319 V CB 0.222 32.180 31.823 0.225 0.000 1.382 319 V HN 0.404 nan 8.190 nan 0.000 0.636 320 K N 0.946 121.300 120.400 -0.077 0.000 2.295 320 K HA 0.344 4.664 4.320 -0.000 0.000 0.270 320 K C 0.798 177.309 176.600 -0.149 0.000 1.011 320 K CA 0.819 57.046 56.287 -0.099 0.000 0.953 320 K CB 0.741 33.182 32.500 -0.097 0.000 0.956 320 K HN 0.747 nan 8.250 nan 0.000 0.477 321 S N 2.606 118.219 115.700 -0.144 0.000 3.628 321 S HA -0.165 4.305 4.470 -0.000 0.000 0.373 321 S C 0.234 174.702 174.600 -0.220 0.000 0.968 321 S CA 0.589 58.702 58.200 -0.145 0.000 1.215 321 S CB -1.619 61.526 63.200 -0.091 0.000 0.912 321 S HN 0.697 nan 8.310 nan 0.000 0.495 322 C N 1.358 120.407 119.300 -0.418 0.000 2.906 322 C HA 0.488 4.948 4.460 -0.000 0.000 0.274 322 C C 1.400 176.098 174.990 -0.487 0.000 1.257 322 C CA 0.349 59.026 59.018 -0.567 0.000 1.695 322 C CB -1.254 25.849 27.740 -1.063 0.000 1.958 322 C HN 1.059 nan 8.230 nan 0.000 0.619 323 S N 0.366 115.878 115.700 -0.312 0.000 3.867 323 S HA -0.136 4.334 4.470 -0.000 0.000 0.334 323 S C -0.368 174.282 174.600 0.083 0.000 1.069 323 S CA 0.204 58.350 58.200 -0.089 0.000 0.977 323 S CB -1.642 61.538 63.200 -0.033 0.000 0.889 323 S HN 0.507 nan 8.310 nan 0.000 0.484 324 F N 1.872 121.861 119.950 0.066 0.000 2.378 324 F HA 0.725 5.251 4.527 -0.000 0.000 0.325 324 F C 1.384 177.229 175.800 0.076 0.000 1.097 324 F CA -0.621 57.434 58.000 0.091 0.000 1.079 324 F CB 0.804 39.883 39.000 0.132 0.000 1.240 324 F HN 0.275 nan 8.300 nan 0.000 0.519 325 T N -2.352 112.372 114.554 0.282 0.000 2.773 325 T HA 0.664 5.014 4.350 -0.000 0.000 0.278 325 T C 0.799 175.582 174.700 0.138 0.000 1.011 325 T CA -0.249 61.951 62.100 0.167 0.000 1.014 325 T CB 1.274 70.212 68.868 0.117 0.000 1.293 325 T HN 0.551 nan 8.240 nan 0.000 0.554 326 A N 0.220 123.097 122.820 0.094 0.000 2.024 326 A HA 0.213 4.533 4.320 -0.000 0.000 0.220 326 A C 2.520 180.133 177.584 0.048 0.000 1.164 326 A CA 2.001 54.080 52.037 0.069 0.000 0.643 326 A CB -1.589 17.439 19.000 0.048 0.000 0.806 326 A HN 1.347 nan 8.150 nan 0.000 0.451 327 A N -0.592 122.256 122.820 0.047 0.000 2.024 327 A HA -0.181 4.138 4.320 -0.000 0.000 0.220 327 A C 2.125 179.714 177.584 0.008 0.000 1.164 327 A CA 1.649 53.699 52.037 0.021 0.000 0.643 327 A CB -1.278 17.743 19.000 0.036 0.000 0.806 327 A HN 1.313 nan 8.150 nan 0.000 0.451 328 C N -3.147 116.179 119.300 0.043 0.000 2.693 328 C HA 0.414 4.873 4.460 -0.000 0.000 0.286 328 C C 1.913 176.945 174.990 0.070 0.000 1.277 328 C CA -0.135 58.913 59.018 0.049 0.000 1.705 328 C CB -2.044 25.668 27.740 -0.047 0.000 1.879 328 C HN 0.557 nan 8.230 nan 0.000 0.607 329 C N 1.363 120.696 119.300 0.055 0.000 2.551 329 C HA 0.048 4.507 4.460 -0.000 0.000 0.277 329 C C 3.117 178.119 174.990 0.020 0.000 1.349 329 C CA 1.280 60.370 59.018 0.120 0.000 1.750 329 C CB -0.887 26.916 27.740 0.106 0.000 2.058 329 C HN 0.860 nan 8.230 nan 0.000 0.518 330 S N 0.963 116.581 115.700 -0.137 0.000 2.400 330 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 330 S C 1.526 176.015 174.600 -0.185 0.000 1.025 330 S CA 1.549 59.639 58.200 -0.183 0.000 0.993 330 S CB -0.741 62.293 63.200 -0.277 0.000 0.808 330 S HN 0.710 nan 8.310 nan 0.000 0.478 331 H N 0.698 119.718 119.070 -0.083 0.000 2.299 331 H HA 0.056 4.612 4.556 -0.000 0.000 0.302 331 H C 1.888 177.121 175.328 -0.157 0.000 1.078 331 H CA 1.449 57.393 56.048 -0.173 0.000 1.323 331 H CB -0.869 28.695 29.762 -0.330 0.000 1.381 331 H HN 0.487 nan 8.280 nan 0.000 0.498 332 F N 1.005 120.996 119.950 0.068 0.000 2.250 332 F HA -0.190 4.337 4.527 -0.001 0.000 0.301 332 F C 2.929 178.742 175.800 0.021 0.000 1.077 332 F CA 1.170 59.189 58.000 0.030 0.000 1.348 332 F CB -0.490 38.518 39.000 0.014 0.000 1.040 332 F HN 0.082 nan 8.300 nan 0.000 0.509 333 S N -0.599 115.205 115.700 0.173 0.000 2.356 333 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 333 S C 2.402 177.045 174.600 0.071 0.000 1.032 333 S CA 1.850 60.107 58.200 0.096 0.000 1.005 333 S CB -0.486 62.742 63.200 0.047 0.000 0.867 333 S HN 0.335 nan 8.310 nan 0.000 0.449 334 S N 0.764 116.496 115.700 0.054 0.000 2.359 334 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 334 S C 1.915 176.546 174.600 0.052 0.000 1.035 334 S CA 1.459 59.683 58.200 0.041 0.000 1.018 334 S CB -0.616 62.605 63.200 0.034 0.000 0.876 334 S HN 0.428 nan 8.310 nan 0.000 0.448 335 V N 2.141 122.097 119.914 0.070 0.000 2.407 335 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 335 V C 1.994 178.144 176.094 0.092 0.000 1.055 335 V CA 1.367 63.717 62.300 0.084 0.000 1.049 335 V CB -0.709 31.182 31.823 0.112 0.000 0.662 335 V HN 0.453 nan 8.190 nan 0.000 0.455 336 L N -0.285 121.000 121.223 0.103 0.000 2.465 336 L HA 0.031 4.371 4.340 -0.000 0.000 0.224 336 L C 2.058 178.954 176.870 0.044 0.000 1.145 336 L CA 1.045 55.930 54.840 0.074 0.000 0.834 336 L CB -0.432 41.671 42.059 0.073 0.000 0.944 336 L HN 0.378 nan 8.230 nan 0.000 0.451 337 A N -1.406 121.439 122.820 0.041 0.000 2.469 337 A HA 0.162 4.482 4.320 -0.000 0.000 0.245 337 A C 1.539 179.135 177.584 0.020 0.000 1.221 337 A CA -0.096 51.956 52.037 0.025 0.000 0.946 337 A CB 0.381 19.394 19.000 0.022 0.000 1.049 337 A HN 0.368 nan 8.150 nan 0.000 0.529 338 Q N -0.536 119.281 119.800 0.028 0.000 2.113 338 Q HA 0.179 4.519 4.340 -0.000 0.000 0.225 338 Q C -0.286 175.732 176.000 0.032 0.000 0.786 338 Q CA -0.257 55.561 55.803 0.024 0.000 0.989 338 Q CB 0.732 29.487 28.738 0.027 0.000 1.174 338 Q HN 0.444 nan 8.270 nan 0.000 0.470 339 N N 0.992 119.716 118.700 0.040 0.000 2.400 339 N HA 0.182 4.922 4.740 -0.000 0.000 0.288 339 N C -0.345 175.165 175.510 0.000 0.000 1.024 339 N CA -0.113 52.974 53.050 0.061 0.000 0.894 339 N CB 0.860 39.408 38.487 0.102 0.000 1.173 339 N HN -0.018 nan 8.380 nan 0.000 0.487 340 R N 3.517 123.967 120.500 -0.084 0.000 2.696 340 R HA 0.214 4.554 4.340 -0.000 0.000 0.355 340 R C -0.322 175.638 176.300 -0.567 0.000 1.138 340 R CA -0.137 55.781 56.100 -0.304 0.000 1.059 340 R CB -0.415 29.638 30.300 -0.412 0.000 1.380 340 R HN 0.542 nan 8.270 nan 0.000 0.578 341 F N -1.029 118.933 119.950 0.019 0.000 2.835 341 F HA 0.190 4.717 4.527 -0.000 0.000 0.341 341 F C 0.494 176.303 175.800 0.016 0.000 0.940 341 F CA -0.544 57.467 58.000 0.020 0.000 1.125 341 F CB 0.389 39.403 39.000 0.023 0.000 0.974 341 F HN -0.097 nan 8.300 nan 0.000 0.601 342 L N 1.663 122.993 121.223 0.178 0.000 2.313 342 L HA 0.310 4.650 4.340 -0.000 0.000 0.282 342 L C 0.228 177.128 176.870 0.049 0.000 1.092 342 L CA 0.486 55.386 54.840 0.100 0.000 0.831 342 L CB 0.495 42.610 42.059 0.094 0.000 1.159 342 L HN 0.177 nan 8.230 nan 0.000 0.442 343 L N 3.477 124.716 121.223 0.026 0.000 2.672 343 L HA 0.399 4.739 4.340 -0.000 0.000 0.236 343 L C 0.234 177.100 176.870 -0.006 0.000 1.092 343 L CA -0.007 54.840 54.840 0.012 0.000 0.887 343 L CB 0.319 42.392 42.059 0.024 0.000 1.168 343 L HN 0.652 nan 8.230 nan 0.000 0.502 344 E N 1.037 121.213 120.200 -0.040 0.000 2.290 344 E HA 0.398 4.748 4.350 -0.000 0.000 0.274 344 E C -1.634 174.905 176.600 -0.102 0.000 0.889 344 E CA -0.622 55.752 56.400 -0.044 0.000 0.760 344 E CB 2.543 32.212 29.700 -0.051 0.000 1.206 344 E HN -0.073 nan 8.360 nan 0.000 0.419 345 L N 4.558 125.787 121.223 0.009 0.000 2.462 345 L HA 0.299 4.639 4.340 -0.000 0.000 0.255 345 L C -1.041 175.894 176.870 0.109 0.000 1.076 345 L CA -0.165 54.660 54.840 -0.024 0.000 0.920 345 L CB 1.358 43.390 42.059 -0.046 0.000 1.214 345 L HN 0.621 nan 8.230 nan 0.000 0.472 346 Q N 4.261 124.071 119.800 0.016 0.000 2.348 346 Q HA 0.205 4.544 4.340 -0.000 0.000 0.251 346 Q C -0.094 175.926 176.000 0.033 0.000 1.113 346 Q CA 0.307 56.133 55.803 0.037 0.000 0.902 346 Q CB 0.466 29.126 28.738 -0.130 0.000 1.333 346 Q HN 0.829 nan 8.270 nan 0.000 0.457 347 I N 3.143 123.757 120.570 0.073 0.000 3.424 347 I HA 0.198 4.368 4.170 -0.000 0.000 0.339 347 I C -0.648 175.499 176.117 0.050 0.000 1.549 347 I CA -0.236 61.074 61.300 0.017 0.000 1.049 347 I CB 0.421 38.368 38.000 -0.088 0.000 1.439 347 I HN 0.484 nan 8.210 nan 0.000 0.500 348 S N 0.854 116.592 115.700 0.062 0.000 2.596 348 S HA 0.125 4.594 4.470 -0.000 0.000 0.260 348 S C 0.622 175.230 174.600 0.014 0.000 1.336 348 S CA -0.174 58.064 58.200 0.064 0.000 0.993 348 S CB 0.301 63.545 63.200 0.074 0.000 0.923 348 S HN 0.625 nan 8.310 nan 0.000 0.567 349 N N 1.605 120.318 118.700 0.022 0.000 2.714 349 N HA -0.160 4.580 4.740 -0.000 0.000 0.252 349 N C -1.371 174.131 175.510 -0.013 0.000 1.014 349 N CA 0.617 53.667 53.050 0.000 0.000 0.735 349 N CB -1.374 37.099 38.487 -0.024 0.000 0.924 349 N HN 0.447 nan 8.380 nan 0.000 0.540 350 N N 0.201 118.913 118.700 0.021 0.000 2.352 350 N HA 0.206 4.946 4.740 -0.000 0.000 0.291 350 N C -0.299 175.256 175.510 0.074 0.000 1.040 350 N CA -0.575 52.503 53.050 0.046 0.000 0.864 350 N CB 1.186 39.735 38.487 0.103 0.000 1.440 350 N HN 0.114 nan 8.380 nan 0.000 0.483 351 R N 2.340 122.885 120.500 0.074 0.000 4.113 351 R HA 0.134 4.474 4.340 -0.000 0.000 0.179 351 R C 1.119 177.471 176.300 0.087 0.000 1.781 351 R CA 0.127 56.270 56.100 0.071 0.000 1.402 351 R CB -0.389 29.947 30.300 0.061 0.000 1.375 351 R HN 0.466 nan 8.270 nan 0.000 0.786 352 L N 0.424 121.701 121.223 0.091 0.000 2.395 352 L HA -0.050 4.290 4.340 -0.000 0.000 0.218 352 L C 0.370 177.279 176.870 0.066 0.000 1.130 352 L CA 0.274 55.169 54.840 0.092 0.000 0.826 352 L CB -0.414 41.700 42.059 0.092 0.000 0.941 352 L HN 0.408 nan 8.230 nan 0.000 0.451 353 E N 0.009 120.242 120.200 0.056 0.000 8.774 353 E HA -0.257 4.093 4.350 -0.000 0.000 0.169 353 E C 0.261 176.884 176.600 0.039 0.000 1.453 353 E CA 1.082 57.508 56.400 0.044 0.000 2.527 353 E CB -0.641 29.083 29.700 0.040 0.000 1.274 353 E HN 0.143 nan 8.360 nan 0.000 0.438 354 D N -0.143 120.275 120.400 0.031 0.000 2.178 354 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 354 D C 1.684 177.998 176.300 0.023 0.000 0.974 354 D CA 1.704 55.719 54.000 0.026 0.000 0.841 354 D CB -0.193 40.620 40.800 0.021 0.000 0.953 354 D HN 0.476 nan 8.370 nan 0.000 0.478 355 A N 1.077 123.912 122.820 0.024 0.000 1.858 355 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 355 A C 2.405 180.003 177.584 0.024 0.000 1.190 355 A CA 2.121 54.170 52.037 0.020 0.000 0.617 355 A CB -1.101 17.911 19.000 0.019 0.000 0.827 355 A HN 0.300 nan 8.150 nan 0.000 0.443 356 G N -0.729 108.093 108.800 0.036 0.000 2.402 356 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.216 356 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.216 356 G C 1.521 176.449 174.900 0.046 0.000 1.162 356 G CA 1.186 46.315 45.100 0.048 0.000 0.777 356 G HN 0.307 nan 8.290 nan 0.000 0.539 357 V N 0.898 120.836 119.914 0.040 0.000 2.295 357 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 357 V C 2.792 178.900 176.094 0.024 0.000 1.049 357 V CA 2.262 64.582 62.300 0.032 0.000 1.024 357 V CB -0.499 31.341 31.823 0.029 0.000 0.648 357 V HN 0.458 nan 8.190 nan 0.000 0.447 358 R N 0.196 120.707 120.500 0.019 0.000 2.091 358 R HA -0.221 4.118 4.340 -0.000 0.000 0.238 358 R C 2.217 178.525 176.300 0.012 0.000 1.136 358 R CA 2.131 58.238 56.100 0.012 0.000 0.959 358 R CB -0.270 30.035 30.300 0.009 0.000 0.856 358 R HN 0.647 nan 8.270 nan 0.000 0.437 359 E N 0.488 120.698 120.200 0.017 0.000 2.051 359 E HA -0.205 4.144 4.350 -0.000 0.000 0.192 359 E C 2.148 178.766 176.600 0.030 0.000 0.991 359 E CA 1.483 57.893 56.400 0.016 0.000 0.799 359 E CB -0.166 29.542 29.700 0.012 0.000 0.748 359 E HN 0.390 nan 8.360 nan 0.000 0.449 360 L N 0.597 121.845 121.223 0.043 0.000 2.042 360 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 360 L C 2.695 179.582 176.870 0.027 0.000 1.076 360 L CA 0.991 55.861 54.840 0.050 0.000 0.749 360 L CB -0.614 41.469 42.059 0.040 0.000 0.893 360 L HN 0.326 nan 8.230 nan 0.000 0.432 361 C N -0.537 118.771 119.300 0.014 0.000 2.422 361 C HA -0.165 4.295 4.460 -0.000 0.000 0.279 361 C C 2.825 177.815 174.990 0.000 0.000 1.305 361 C CA 0.579 59.597 59.018 0.000 0.000 1.757 361 C CB -0.889 26.848 27.740 -0.005 0.000 1.962 361 C HN 0.543 nan 8.230 nan 0.000 0.499 362 Q N 0.318 120.121 119.800 0.006 0.000 2.084 362 Q HA -0.084 4.255 4.340 -0.000 0.000 0.202 362 Q C 2.518 178.522 176.000 0.008 0.000 0.978 362 Q CA 1.803 57.608 55.803 0.004 0.000 0.844 362 Q CB -0.427 28.312 28.738 0.003 0.000 0.898 362 Q HN 0.795 nan 8.270 nan 0.000 0.426 363 G N 0.896 109.706 108.800 0.018 0.000 2.394 363 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.214 363 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.214 363 G C 1.360 176.271 174.900 0.018 0.000 1.176 363 G CA 0.372 45.487 45.100 0.024 0.000 0.786 363 G HN 0.228 nan 8.290 nan 0.000 0.533 364 L N 1.584 122.815 121.223 0.014 0.000 2.201 364 L HA 0.198 4.537 4.340 -0.000 0.000 0.212 364 L C 2.622 179.486 176.870 -0.011 0.000 1.105 364 L CA 1.849 56.689 54.840 0.001 0.000 0.775 364 L CB -0.610 41.444 42.059 -0.008 0.000 0.913 364 L HN 0.153 nan 8.230 nan 0.000 0.440 365 G N -1.189 107.604 108.800 -0.011 0.000 2.679 365 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.212 365 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.212 365 G C 0.614 175.511 174.900 -0.004 0.000 1.137 365 G CA -0.191 44.899 45.100 -0.017 0.000 0.787 365 G HN 0.345 nan 8.290 nan 0.000 0.534 366 Q N 1.342 121.143 119.800 0.002 0.000 2.313 366 Q HA 0.196 4.536 4.340 -0.000 0.000 0.266 366 Q C -2.166 173.840 176.000 0.011 0.000 0.989 366 Q CA -1.994 53.813 55.803 0.007 0.000 0.890 366 Q CB 1.204 29.947 28.738 0.008 0.000 1.200 366 Q HN 0.215 nan 8.270 nan 0.000 0.396 367 P HA -0.013 nan 4.420 nan 0.000 0.268 367 P C 0.603 177.910 177.300 0.012 0.000 1.208 367 P CA 0.745 63.858 63.100 0.022 0.000 0.777 367 P CB 0.693 32.404 31.700 0.020 0.000 0.875 368 G N 1.120 109.927 108.800 0.011 0.000 2.284 368 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.230 368 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.230 368 G C 0.377 175.273 174.900 -0.005 0.000 1.021 368 G CA 0.309 45.408 45.100 -0.002 0.000 0.619 368 G HN 0.910 nan 8.290 nan 0.000 0.510 369 S N 0.109 115.810 115.700 0.002 0.000 2.550 369 S HA 0.360 4.829 4.470 -0.000 0.000 0.285 369 S C 1.487 176.084 174.600 -0.005 0.000 1.326 369 S CA 0.943 59.144 58.200 0.001 0.000 1.037 369 S CB 1.770 64.973 63.200 0.005 0.000 0.838 369 S HN 1.865 nan 8.310 nan 0.000 0.519 370 V N -0.625 119.284 119.914 -0.009 0.000 3.548 370 V HA 0.402 4.522 4.120 -0.000 0.000 0.279 370 V C 0.486 176.575 176.094 -0.008 0.000 1.446 370 V CA -0.424 61.867 62.300 -0.016 0.000 1.023 370 V CB -0.710 31.090 31.823 -0.039 0.000 0.820 370 V HN 0.743 nan 8.190 nan 0.000 0.438 371 L N 2.216 123.439 121.223 -0.001 0.000 2.628 371 L HA 0.055 4.395 4.340 -0.000 0.000 0.292 371 L C 1.695 178.556 176.870 -0.015 0.000 1.250 371 L CA 1.514 56.353 54.840 -0.002 0.000 0.892 371 L CB 0.367 42.427 42.059 0.002 0.000 1.138 371 L HN 0.518 nan 8.230 nan 0.000 0.502 372 R N 2.717 123.207 120.500 -0.016 0.000 2.191 372 R HA 0.295 4.635 4.340 -0.000 0.000 0.196 372 R C -0.686 175.582 176.300 -0.055 0.000 0.991 372 R CA 0.216 56.301 56.100 -0.026 0.000 1.075 372 R CB 0.562 30.857 30.300 -0.009 0.000 1.040 372 R HN 0.477 nan 8.270 nan 0.000 0.526 373 V N 2.250 122.131 119.914 -0.056 0.000 2.588 373 V HA 0.435 4.555 4.120 -0.000 0.000 0.304 373 V C -1.362 174.662 176.094 -0.118 0.000 1.042 373 V CA -0.945 61.278 62.300 -0.128 0.000 0.877 373 V CB 1.739 33.520 31.823 -0.069 0.000 0.996 373 V HN 0.143 nan 8.190 nan 0.000 0.425 374 L N 5.014 126.102 121.223 -0.225 0.000 2.409 374 L HA 0.743 5.082 4.340 -0.000 0.000 0.272 374 L C -1.916 174.855 176.870 -0.165 0.000 0.980 374 L CA -0.256 54.522 54.840 -0.102 0.000 0.826 374 L CB 1.798 43.815 42.059 -0.069 0.000 1.268 374 L HN 0.655 nan 8.230 nan 0.000 0.407 375 W N 6.659 127.954 121.300 -0.009 0.000 2.362 375 W HA 0.606 5.266 4.660 -0.000 0.000 0.316 375 W C -0.326 176.198 176.519 0.008 0.000 1.024 375 W CA -0.434 56.924 57.345 0.022 0.000 1.270 375 W CB 1.134 30.629 29.460 0.058 0.000 1.273 375 W HN 0.292 nan 8.180 nan 0.000 0.424 376 L N 3.821 125.163 121.223 0.198 0.000 3.168 376 L HA 0.458 4.797 4.340 -0.000 0.000 0.277 376 L C 0.794 177.741 176.870 0.128 0.000 1.308 376 L CA -0.561 54.354 54.840 0.125 0.000 0.976 376 L CB -0.337 41.764 42.059 0.070 0.000 1.383 376 L HN 0.511 nan 8.230 nan 0.000 0.572 377 A N -0.168 122.754 122.820 0.171 0.000 2.401 377 A HA 0.239 4.559 4.320 -0.000 0.000 0.259 377 A C 0.653 178.298 177.584 0.103 0.000 1.103 377 A CA 0.102 52.229 52.037 0.149 0.000 0.789 377 A CB 0.183 19.298 19.000 0.192 0.000 1.035 377 A HN 0.579 nan 8.150 nan 0.000 0.491 378 D N 0.343 120.795 120.400 0.087 0.000 2.697 378 D HA -0.171 4.468 4.640 -0.000 0.000 0.238 378 D C 0.082 176.416 176.300 0.056 0.000 1.152 378 D CA 1.238 55.276 54.000 0.064 0.000 0.666 378 D CB -1.470 39.360 40.800 0.050 0.000 1.037 378 D HN 0.458 nan 8.370 nan 0.000 0.423 379 C N 1.306 120.642 119.300 0.062 0.000 2.863 379 C HA 0.204 4.664 4.460 -0.000 0.000 0.284 379 C C 0.210 175.233 174.990 0.055 0.000 1.426 379 C CA -0.264 58.790 59.018 0.060 0.000 1.782 379 C CB -0.774 27.005 27.740 0.065 0.000 2.554 379 C HN 0.547 nan 8.230 nan 0.000 0.566 380 D N 0.831 121.262 120.400 0.050 0.000 2.705 380 D HA -0.123 4.516 4.640 -0.000 0.000 0.240 380 D C -0.196 176.130 176.300 0.044 0.000 1.137 380 D CA 0.685 54.712 54.000 0.045 0.000 0.677 380 D CB -1.008 39.817 40.800 0.042 0.000 1.049 380 D HN 0.323 nan 8.370 nan 0.000 0.427 381 V N 0.336 120.278 119.914 0.047 0.000 2.472 381 V HA 0.630 4.750 4.120 -0.000 0.000 0.290 381 V C 0.941 177.060 176.094 0.042 0.000 1.037 381 V CA 0.007 62.333 62.300 0.043 0.000 0.908 381 V CB 1.997 33.848 31.823 0.046 0.000 0.985 381 V HN 0.427 nan 8.190 nan 0.000 0.454 382 S N 1.934 117.655 115.700 0.035 0.000 2.971 382 S HA 0.427 4.896 4.470 -0.000 0.000 0.320 382 S C 0.461 175.077 174.600 0.027 0.000 1.111 382 S CA -0.607 57.612 58.200 0.033 0.000 0.870 382 S CB 1.178 64.394 63.200 0.027 0.000 1.331 382 S HN 0.517 nan 8.310 nan 0.000 0.635 383 D N 1.326 121.739 120.400 0.021 0.000 2.178 383 D HA 0.008 4.648 4.640 -0.000 0.000 0.202 383 D C 1.989 178.295 176.300 0.010 0.000 0.974 383 D CA 1.175 55.184 54.000 0.014 0.000 0.841 383 D CB -0.631 40.175 40.800 0.010 0.000 0.953 383 D HN 0.407 nan 8.370 nan 0.000 0.478 384 S N 0.814 116.520 115.700 0.011 0.000 2.404 384 S HA -0.218 4.252 4.470 -0.000 0.000 0.230 384 S C 1.971 176.576 174.600 0.007 0.000 1.046 384 S CA 2.041 60.246 58.200 0.009 0.000 1.135 384 S CB -0.532 62.675 63.200 0.011 0.000 1.056 384 S HN 0.455 nan 8.310 nan 0.000 0.426 385 S N -0.029 115.677 115.700 0.010 0.000 2.660 385 S HA 0.047 4.516 4.470 -0.000 0.000 0.223 385 S C 1.507 176.109 174.600 0.004 0.000 0.963 385 S CA 0.302 58.507 58.200 0.008 0.000 0.932 385 S CB -0.863 62.345 63.200 0.014 0.000 0.775 385 S HN 0.528 nan 8.310 nan 0.000 0.531 386 C N 1.978 121.280 119.300 0.003 0.000 2.464 386 C HA 0.061 4.521 4.460 -0.000 0.000 0.278 386 C C 3.242 178.226 174.990 -0.010 0.000 1.375 386 C CA 0.666 59.682 59.018 -0.002 0.000 1.761 386 C CB -1.268 26.473 27.740 0.001 0.000 1.944 386 C HN 0.874 nan 8.230 nan 0.000 0.509 387 S N 0.665 116.359 115.700 -0.009 0.000 2.368 387 S HA -0.138 4.331 4.470 -0.000 0.000 0.224 387 S C 1.810 176.400 174.600 -0.017 0.000 1.029 387 S CA 1.935 60.127 58.200 -0.014 0.000 0.988 387 S CB -0.620 62.573 63.200 -0.011 0.000 0.838 387 S HN 0.554 nan 8.310 nan 0.000 0.462 388 S N 2.612 118.305 115.700 -0.013 0.000 2.365 388 S HA -0.054 4.416 4.470 -0.000 0.000 0.221 388 S C 1.862 176.449 174.600 -0.023 0.000 1.037 388 S CA 1.791 59.982 58.200 -0.015 0.000 1.060 388 S CB -0.912 62.283 63.200 -0.009 0.000 0.974 388 S HN 0.500 nan 8.310 nan 0.000 0.427 389 L N 1.143 122.353 121.223 -0.021 0.000 2.051 389 L HA -0.254 4.085 4.340 -0.000 0.000 0.214 389 L C 2.701 179.546 176.870 -0.042 0.000 1.076 389 L CA 1.387 56.209 54.840 -0.030 0.000 0.758 389 L CB -0.671 41.373 42.059 -0.024 0.000 0.890 389 L HN 0.358 nan 8.230 nan 0.000 0.433 390 A N -0.449 122.349 122.820 -0.038 0.000 1.930 390 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 390 A C 2.478 180.033 177.584 -0.048 0.000 1.175 390 A CA 1.686 53.697 52.037 -0.044 0.000 0.627 390 A CB -0.593 18.385 19.000 -0.037 0.000 0.815 390 A HN 0.415 nan 8.150 nan 0.000 0.443 391 A N -1.402 121.394 122.820 -0.041 0.000 1.930 391 A HA 0.037 4.356 4.320 -0.000 0.000 0.215 391 A C 2.230 179.779 177.584 -0.059 0.000 1.176 391 A CA 1.894 53.906 52.037 -0.042 0.000 0.632 391 A CB -1.049 17.934 19.000 -0.028 0.000 0.819 391 A HN 0.377 nan 8.150 nan 0.000 0.445 392 T N 0.769 115.288 114.554 -0.058 0.000 2.759 392 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 392 T C 1.626 176.256 174.700 -0.117 0.000 1.042 392 T CA 1.447 63.504 62.100 -0.073 0.000 1.140 392 T CB -0.396 68.439 68.868 -0.055 0.000 0.864 392 T HN 0.364 nan 8.240 nan 0.000 0.455 393 L N 0.210 121.367 121.223 -0.111 0.000 2.456 393 L HA 0.076 4.415 4.340 -0.000 0.000 0.224 393 L C 1.999 178.752 176.870 -0.196 0.000 1.148 393 L CA 0.725 55.480 54.840 -0.141 0.000 0.825 393 L CB -0.318 41.680 42.059 -0.101 0.000 0.937 393 L HN 0.283 nan 8.230 nan 0.000 0.450 394 L N -1.780 119.342 121.223 -0.168 0.000 2.470 394 L HA 0.144 4.483 4.340 -0.000 0.000 0.219 394 L C 2.520 179.263 176.870 -0.211 0.000 1.071 394 L CA 0.469 55.217 54.840 -0.153 0.000 0.850 394 L CB -0.286 41.742 42.059 -0.053 0.000 1.040 394 L HN 0.145 nan 8.230 nan 0.000 0.475 395 A N -0.126 122.581 122.820 -0.189 0.000 1.871 395 A HA -0.035 4.285 4.320 -0.000 0.000 0.211 395 A C 1.202 178.679 177.584 -0.178 0.000 1.207 395 A CA 0.371 52.352 52.037 -0.093 0.000 0.620 395 A CB -0.306 18.670 19.000 -0.041 0.000 0.860 395 A HN 0.364 nan 8.150 nan 0.000 0.450 396 N N -0.246 118.310 118.700 -0.239 0.000 2.529 396 N HA 0.140 4.880 4.740 -0.000 0.000 0.278 396 N C -0.682 174.581 175.510 -0.411 0.000 1.146 396 N CA 0.105 53.050 53.050 -0.176 0.000 0.980 396 N CB 0.469 38.893 38.487 -0.105 0.000 1.124 396 N HN 0.391 nan 8.380 nan 0.000 0.458 397 H N 0.046 119.103 119.070 -0.022 0.000 2.785 397 H HA 0.134 4.689 4.556 -0.001 0.000 0.268 397 H C 1.120 176.433 175.328 -0.025 0.000 1.153 397 H CA -0.104 55.929 56.048 -0.024 0.000 1.111 397 H CB 0.623 30.372 29.762 -0.022 0.000 1.633 397 H HN 0.652 nan 8.280 nan 0.000 0.576 398 S N -0.296 115.426 115.700 0.036 0.000 2.470 398 S HA 0.042 4.512 4.470 -0.000 0.000 0.222 398 S C 0.829 175.421 174.600 -0.013 0.000 1.024 398 S CA -0.343 57.866 58.200 0.015 0.000 0.931 398 S CB 0.036 63.239 63.200 0.006 0.000 0.791 398 S HN 0.153 nan 8.310 nan 0.000 0.513 399 L N 2.810 124.010 121.223 -0.038 0.000 2.499 399 L HA 0.310 4.650 4.340 -0.000 0.000 0.273 399 L C 1.196 178.032 176.870 -0.058 0.000 1.195 399 L CA 0.232 55.038 54.840 -0.057 0.000 0.882 399 L CB 0.454 42.467 42.059 -0.076 0.000 1.133 399 L HN 0.093 nan 8.230 nan 0.000 0.483 400 R N 2.599 123.060 120.500 -0.065 0.000 2.435 400 R HA 0.306 4.645 4.340 -0.000 0.000 0.221 400 R C -0.489 175.754 176.300 -0.095 0.000 0.885 400 R CA 0.189 56.251 56.100 -0.063 0.000 1.018 400 R CB 0.434 30.710 30.300 -0.041 0.000 1.259 400 R HN 0.687 nan 8.270 nan 0.000 0.597 401 E N 0.890 121.007 120.200 -0.137 0.000 2.278 401 E HA 0.370 4.720 4.350 -0.000 0.000 0.272 401 E C -1.563 174.874 176.600 -0.272 0.000 0.890 401 E CA -0.730 55.544 56.400 -0.210 0.000 0.770 401 E CB 2.567 32.111 29.700 -0.260 0.000 1.212 401 E HN -0.198 nan 8.360 nan 0.000 0.415 402 L N 2.426 123.498 121.223 -0.252 0.000 2.409 402 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 402 L C -1.671 175.066 176.870 -0.220 0.000 0.980 402 L CA -0.447 54.258 54.840 -0.226 0.000 0.826 402 L CB 1.786 43.762 42.059 -0.137 0.000 1.268 402 L HN 0.444 nan 8.230 nan 0.000 0.407 403 D N 4.478 124.748 120.400 -0.216 0.000 2.414 403 D HA 0.386 5.026 4.640 -0.000 0.000 0.232 403 D C -0.215 176.107 176.300 0.036 0.000 1.070 403 D CA -0.040 53.911 54.000 -0.083 0.000 0.839 403 D CB 0.989 41.769 40.800 -0.034 0.000 1.079 403 D HN 0.641 nan 8.370 nan 0.000 0.521 404 L N 2.177 123.427 121.223 0.045 0.000 3.014 404 L HA 0.265 4.605 4.340 -0.000 0.000 0.263 404 L C 0.554 177.491 176.870 0.111 0.000 1.207 404 L CA -0.342 54.541 54.840 0.072 0.000 1.017 404 L CB 0.406 42.492 42.059 0.046 0.000 1.360 404 L HN 0.220 nan 8.230 nan 0.000 0.560 405 S N 0.774 116.562 115.700 0.145 0.000 2.566 405 S HA -0.053 4.416 4.470 -0.000 0.000 0.280 405 S C 0.888 175.584 174.600 0.160 0.000 1.343 405 S CA 0.146 58.459 58.200 0.189 0.000 1.036 405 S CB 0.195 63.575 63.200 0.301 0.000 0.866 405 S HN 0.572 nan 8.310 nan 0.000 0.526 406 N N 1.651 120.439 118.700 0.147 0.000 2.714 406 N HA -0.171 4.569 4.740 -0.000 0.000 0.253 406 N C -0.741 174.820 175.510 0.085 0.000 1.024 406 N CA 0.582 53.694 53.050 0.103 0.000 0.726 406 N CB -1.233 37.310 38.487 0.093 0.000 0.908 406 N HN 0.595 nan 8.380 nan 0.000 0.542 407 N N -1.214 117.539 118.700 0.088 0.000 3.184 407 N HA 0.441 5.181 4.740 -0.000 0.000 0.353 407 N C 0.457 176.009 175.510 0.070 0.000 1.441 407 N CA 0.079 53.174 53.050 0.075 0.000 0.723 407 N CB 0.212 38.745 38.487 0.077 0.000 1.547 407 N HN 0.215 nan 8.380 nan 0.000 0.624 408 C N 0.439 119.776 119.300 0.063 0.000 2.926 408 C HA 0.406 4.865 4.460 -0.000 0.000 0.272 408 C C 1.024 176.050 174.990 0.061 0.000 1.249 408 C CA -0.654 58.398 59.018 0.057 0.000 1.691 408 C CB -1.073 26.694 27.740 0.044 0.000 1.983 408 C HN 0.441 nan 8.230 nan 0.000 0.615 409 L N 1.929 123.195 121.223 0.072 0.000 2.870 409 L HA 0.014 4.354 4.340 -0.000 0.000 0.330 409 L C 1.022 177.939 176.870 0.078 0.000 1.240 409 L CA 0.938 55.824 54.840 0.078 0.000 0.847 409 L CB -0.332 41.791 42.059 0.108 0.000 1.111 409 L HN 0.523 nan 8.230 nan 0.000 0.542 410 G N 1.183 110.016 108.800 0.056 0.000 2.820 410 G HA2 0.283 4.243 3.960 -0.000 0.000 0.291 410 G HA3 0.283 4.243 3.960 -0.000 0.000 0.291 410 G C 0.154 175.085 174.900 0.051 0.000 1.323 410 G CA -0.333 44.788 45.100 0.035 0.000 1.055 410 G HN 0.663 nan 8.290 nan 0.000 0.520 411 D N -0.637 119.779 120.400 0.026 0.000 2.178 411 D HA -0.008 4.632 4.640 -0.000 0.000 0.202 411 D C 2.551 178.855 176.300 0.006 0.000 0.974 411 D CA 1.520 55.541 54.000 0.034 0.000 0.841 411 D CB 0.087 40.895 40.800 0.013 0.000 0.953 411 D HN 0.345 nan 8.370 nan 0.000 0.478 412 A N -0.242 122.577 122.820 -0.001 0.000 1.968 412 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 412 A C 2.239 179.819 177.584 -0.007 0.000 1.169 412 A CA 1.619 53.651 52.037 -0.007 0.000 0.638 412 A CB -0.827 18.169 19.000 -0.007 0.000 0.812 412 A HN 0.310 nan 8.150 nan 0.000 0.446 413 G N 0.267 109.069 108.800 0.004 0.000 2.404 413 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.214 413 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.214 413 G C 1.510 176.405 174.900 -0.007 0.000 1.189 413 G CA 1.067 46.170 45.100 0.004 0.000 0.789 413 G HN 0.424 nan 8.290 nan 0.000 0.533 414 I N 0.308 120.877 120.570 -0.002 0.000 2.127 414 I HA -0.171 3.999 4.170 -0.000 0.000 0.241 414 I C 2.588 178.661 176.117 -0.073 0.000 1.075 414 I CA 0.752 62.025 61.300 -0.044 0.000 1.334 414 I CB -0.320 37.641 38.000 -0.065 0.000 1.040 414 I HN 0.156 nan 8.210 nan 0.000 0.405 415 L N 0.722 121.907 121.223 -0.063 0.000 2.064 415 L HA -0.330 4.009 4.340 -0.000 0.000 0.216 415 L C 2.488 179.325 176.870 -0.056 0.000 1.077 415 L CA 2.005 56.806 54.840 -0.065 0.000 0.766 415 L CB -0.787 41.245 42.059 -0.045 0.000 0.890 415 L HN 0.319 nan 8.230 nan 0.000 0.435 416 Q N -1.008 118.767 119.800 -0.042 0.000 2.084 416 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 416 Q C 2.300 178.272 176.000 -0.046 0.000 0.978 416 Q CA 1.863 57.644 55.803 -0.038 0.000 0.844 416 Q CB -0.299 28.423 28.738 -0.027 0.000 0.898 416 Q HN 0.555 nan 8.270 nan 0.000 0.426 417 L N -0.094 121.097 121.223 -0.052 0.000 2.017 417 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 417 L C 2.398 179.224 176.870 -0.074 0.000 1.073 417 L CA 0.797 55.601 54.840 -0.061 0.000 0.745 417 L CB -0.643 41.377 42.059 -0.065 0.000 0.894 417 L HN 0.103 nan 8.230 nan 0.000 0.432 418 V N -0.291 119.571 119.914 -0.087 0.000 2.255 418 V HA -0.265 3.854 4.120 -0.000 0.000 0.247 418 V C 2.484 178.536 176.094 -0.070 0.000 1.051 418 V CA 1.708 63.952 62.300 -0.093 0.000 1.018 418 V CB -0.512 31.243 31.823 -0.112 0.000 0.641 418 V HN 0.436 nan 8.190 nan 0.000 0.445 419 E N 0.000 120.165 120.200 -0.059 0.000 2.333 419 E HA -0.156 4.193 4.350 -0.000 0.000 0.200 419 E C 2.324 178.899 176.600 -0.042 0.000 1.010 419 E CA 1.370 57.742 56.400 -0.046 0.000 0.841 419 E CB -0.201 29.476 29.700 -0.039 0.000 0.757 419 E HN 0.596 nan 8.360 nan 0.000 0.508 420 S N -0.319 115.352 115.700 -0.049 0.000 2.452 420 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 420 S C 2.175 176.746 174.600 -0.049 0.000 1.057 420 S CA 0.735 58.906 58.200 -0.047 0.000 0.949 420 S CB 0.085 63.253 63.200 -0.053 0.000 0.836 420 S HN 0.283 nan 8.310 nan 0.000 0.518 421 V N 3.082 122.960 119.914 -0.059 0.000 2.626 421 V HA -0.103 4.017 4.120 -0.000 0.000 0.252 421 V C 2.133 178.197 176.094 -0.050 0.000 1.067 421 V CA 1.646 63.911 62.300 -0.058 0.000 1.081 421 V CB -1.120 30.660 31.823 -0.071 0.000 0.686 421 V HN 0.523 nan 8.190 nan 0.000 0.468 422 R N 0.860 121.330 120.500 -0.051 0.000 2.193 422 R HA -0.041 4.299 4.340 -0.000 0.000 0.229 422 R C 1.052 177.333 176.300 -0.032 0.000 1.110 422 R CA 0.676 56.750 56.100 -0.044 0.000 0.988 422 R CB -0.559 29.713 30.300 -0.047 0.000 0.871 422 R HN 0.623 nan 8.270 nan 0.000 0.458 423 Q N 1.643 121.427 119.800 -0.027 0.000 2.327 423 Q HA 0.111 4.450 4.340 -0.000 0.000 0.254 423 Q C -1.637 174.358 176.000 -0.008 0.000 0.952 423 Q CA -1.937 53.857 55.803 -0.016 0.000 0.884 423 Q CB 1.190 29.922 28.738 -0.011 0.000 1.224 423 Q HN 0.057 nan 8.270 nan 0.000 0.422 424 P HA -0.152 nan 4.420 nan 0.000 0.222 424 P C 0.790 178.099 177.300 0.015 0.000 1.147 424 P CA 1.235 64.335 63.100 0.001 0.000 0.790 424 P CB 0.216 31.915 31.700 -0.003 0.000 0.780 425 G N -0.608 108.209 108.800 0.028 0.000 2.511 425 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 425 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 425 G C 0.452 175.420 174.900 0.115 0.000 1.133 425 G CA -0.001 45.142 45.100 0.071 0.000 0.792 425 G HN 0.399 nan 8.290 nan 0.000 0.539 426 C N 1.693 121.020 119.300 0.045 0.000 2.482 426 C HA 0.517 4.977 4.460 -0.000 0.000 0.378 426 C C 1.523 176.521 174.990 0.015 0.000 1.284 426 C CA -0.794 58.227 59.018 0.005 0.000 1.826 426 C CB -0.887 26.831 27.740 -0.038 0.000 2.473 426 C HN 0.373 nan 8.230 nan 0.000 0.562 427 L N 5.787 127.028 121.223 0.030 0.000 2.653 427 L HA 0.202 4.542 4.340 -0.000 0.000 0.231 427 L C 0.665 177.526 176.870 -0.014 0.000 1.153 427 L CA -0.357 54.497 54.840 0.023 0.000 0.933 427 L CB -0.696 41.400 42.059 0.062 0.000 1.175 427 L HN 0.567 nan 8.230 nan 0.000 0.473 428 L N 0.922 122.122 121.223 -0.039 0.000 2.540 428 L HA -0.051 4.289 4.340 -0.000 0.000 0.276 428 L C 1.132 177.972 176.870 -0.051 0.000 1.212 428 L CA 1.021 55.827 54.840 -0.057 0.000 0.893 428 L CB 0.377 42.391 42.059 -0.074 0.000 1.138 428 L HN 0.176 nan 8.230 nan 0.000 0.491 429 E N 2.641 122.809 120.200 -0.053 0.000 2.460 429 E HA 0.097 4.447 4.350 -0.000 0.000 0.200 429 E C -0.257 176.308 176.600 -0.057 0.000 1.011 429 E CA 0.058 56.431 56.400 -0.046 0.000 0.912 429 E CB 0.520 30.200 29.700 -0.033 0.000 0.953 429 E HN 0.662 nan 8.360 nan 0.000 0.494 430 Q N 1.207 120.960 119.800 -0.079 0.000 2.281 430 Q HA 0.381 4.720 4.340 -0.000 0.000 0.263 430 Q C -2.186 173.743 176.000 -0.119 0.000 0.989 430 Q CA -0.641 55.107 55.803 -0.092 0.000 0.852 430 Q CB 1.520 30.204 28.738 -0.090 0.000 1.337 430 Q HN 0.040 nan 8.270 nan 0.000 0.418 431 L N 4.439 125.593 121.223 -0.115 0.000 2.356 431 L HA 0.717 5.057 4.340 -0.000 0.000 0.277 431 L C -1.763 175.029 176.870 -0.130 0.000 0.996 431 L CA -0.595 54.173 54.840 -0.121 0.000 0.822 431 L CB 2.169 44.163 42.059 -0.109 0.000 1.256 431 L HN 0.510 nan 8.230 nan 0.000 0.413 432 V N 6.704 126.539 119.914 -0.132 0.000 2.409 432 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 432 V C -0.039 175.999 176.094 -0.094 0.000 1.020 432 V CA -0.373 61.830 62.300 -0.160 0.000 0.848 432 V CB 1.489 33.238 31.823 -0.123 0.000 0.990 432 V HN 0.646 nan 8.190 nan 0.000 0.430 433 L N 5.259 126.410 121.223 -0.120 0.000 2.783 433 L HA 0.443 4.782 4.340 -0.000 0.000 0.265 433 L C -0.620 176.313 176.870 0.106 0.000 1.398 433 L CA -0.254 54.626 54.840 0.066 0.000 0.802 433 L CB 0.140 42.315 42.059 0.193 0.000 1.126 433 L HN 0.536 nan 8.230 nan 0.000 0.529 434 Y N 0.216 120.597 120.300 0.134 0.000 2.397 434 Y HA 0.007 4.557 4.550 -0.000 0.000 0.335 434 Y C 0.769 176.701 175.900 0.054 0.000 1.213 434 Y CA -0.162 57.992 58.100 0.090 0.000 1.391 434 Y CB 0.509 39.014 38.460 0.075 0.000 1.293 434 Y HN 0.352 nan 8.280 nan 0.000 0.557 435 D N 2.479 122.992 120.400 0.189 0.000 3.003 435 D HA -0.205 4.435 4.640 -0.000 0.000 0.223 435 D C -1.114 175.202 176.300 0.027 0.000 1.204 435 D CA 1.040 55.074 54.000 0.056 0.000 0.828 435 D CB -0.935 39.900 40.800 0.058 0.000 0.918 435 D HN 0.377 nan 8.370 nan 0.000 0.401 436 I N 0.831 121.356 120.570 -0.075 0.000 2.692 436 I HA 0.188 4.358 4.170 -0.000 0.000 0.293 436 I C -0.538 175.423 176.117 -0.259 0.000 1.200 436 I CA -0.980 60.289 61.300 -0.051 0.000 1.036 436 I CB 2.517 40.601 38.000 0.140 0.000 1.258 436 I HN 0.063 nan 8.210 nan 0.000 0.421 437 Y N 6.548 126.707 120.300 -0.235 0.000 2.595 437 Y HA 0.353 4.903 4.550 -0.000 0.000 0.336 437 Y C -0.927 174.898 175.900 -0.126 0.000 0.996 437 Y CA -1.055 56.870 58.100 -0.291 0.000 1.260 437 Y CB 0.530 38.899 38.460 -0.151 0.000 1.108 437 Y HN 0.672 nan 8.280 nan 0.000 0.509 438 W N 3.550 124.976 121.300 0.210 0.000 2.578 438 W HA 0.703 5.362 4.660 -0.001 0.000 0.364 438 W C -0.574 175.963 176.519 0.030 0.000 1.144 438 W CA -1.349 55.994 57.345 -0.002 0.000 1.242 438 W CB -0.232 29.240 29.460 0.020 0.000 1.382 438 W HN 0.414 nan 8.180 nan 0.000 0.625 439 S N 0.162 116.022 115.700 0.267 0.000 2.614 439 S HA 0.097 4.566 4.470 -0.000 0.000 0.265 439 S C 0.821 175.590 174.600 0.282 0.000 1.303 439 S CA -0.256 58.059 58.200 0.191 0.000 1.000 439 S CB 1.026 64.276 63.200 0.084 0.000 0.935 439 S HN 0.618 nan 8.310 nan 0.000 0.551 440 E N 0.788 121.103 120.200 0.193 0.000 2.265 440 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 440 E C 1.696 178.376 176.600 0.133 0.000 0.996 440 E CA 0.903 57.404 56.400 0.168 0.000 0.832 440 E CB -0.150 29.617 29.700 0.112 0.000 0.756 440 E HN 0.671 nan 8.360 nan 0.000 0.491 441 E N 0.395 120.656 120.200 0.103 0.000 2.028 441 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 441 E C 2.041 178.663 176.600 0.037 0.000 0.984 441 E CA 0.630 57.063 56.400 0.056 0.000 0.800 441 E CB -0.232 29.489 29.700 0.035 0.000 0.758 441 E HN 0.140 nan 8.360 nan 0.000 0.448 442 M N 1.533 121.164 119.600 0.051 0.000 2.108 442 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 442 M C 1.994 178.197 176.300 -0.162 0.000 1.066 442 M CA 1.609 56.868 55.300 -0.069 0.000 1.107 442 M CB -0.303 32.265 32.600 -0.053 0.000 1.356 442 M HN -0.033 nan 8.290 nan 0.000 0.406 443 E N 0.345 120.578 120.200 0.055 0.000 2.033 443 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 443 E C 1.539 178.143 176.600 0.007 0.000 1.011 443 E CA 2.397 58.865 56.400 0.114 0.000 0.815 443 E CB -0.491 29.395 29.700 0.311 0.000 0.755 443 E HN 0.563 nan 8.360 nan 0.000 0.451 444 D N -0.383 120.032 120.400 0.025 0.000 2.144 444 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 444 D C 2.044 178.322 176.300 -0.037 0.000 0.978 444 D CA 0.997 54.998 54.000 0.002 0.000 0.833 444 D CB -0.339 40.470 40.800 0.015 0.000 0.961 444 D HN 0.222 nan 8.370 nan 0.000 0.470 445 R N 0.465 120.929 120.500 -0.061 0.000 2.120 445 R HA -0.043 4.297 4.340 -0.000 0.000 0.234 445 R C 2.379 178.605 176.300 -0.125 0.000 1.123 445 R CA 0.618 56.667 56.100 -0.084 0.000 0.975 445 R CB -0.138 30.107 30.300 -0.093 0.000 0.866 445 R HN 0.163 nan 8.270 nan 0.000 0.446 446 L N 0.122 121.236 121.223 -0.182 0.000 2.095 446 L HA -0.116 4.224 4.340 -0.000 0.000 0.204 446 L C 2.328 179.119 176.870 -0.131 0.000 1.080 446 L CA 1.218 55.923 54.840 -0.225 0.000 0.759 446 L CB -0.211 41.613 42.059 -0.392 0.000 0.914 446 L HN 0.271 nan 8.230 nan 0.000 0.439 447 Q N -0.510 119.241 119.800 -0.082 0.000 2.364 447 Q HA -0.108 4.231 4.340 -0.000 0.000 0.207 447 Q C 2.231 178.207 176.000 -0.038 0.000 0.970 447 Q CA 1.125 56.904 55.803 -0.040 0.000 0.888 447 Q CB -0.052 28.682 28.738 -0.008 0.000 0.951 447 Q HN 0.534 nan 8.270 nan 0.000 0.469 448 A N 0.849 123.641 122.820 -0.047 0.000 1.861 448 A HA -0.106 4.214 4.320 -0.000 0.000 0.212 448 A C 1.988 179.545 177.584 -0.046 0.000 1.199 448 A CA 0.692 52.706 52.037 -0.039 0.000 0.613 448 A CB -0.587 18.390 19.000 -0.038 0.000 0.846 448 A HN 0.357 nan 8.150 nan 0.000 0.446 449 L N 0.364 121.549 121.223 -0.063 0.000 2.137 449 L HA -0.233 4.106 4.340 -0.000 0.000 0.213 449 L C 2.103 178.940 176.870 -0.056 0.000 1.085 449 L CA 2.470 57.271 54.840 -0.065 0.000 0.760 449 L CB -0.643 41.362 42.059 -0.090 0.000 0.893 449 L HN 0.424 nan 8.230 nan 0.000 0.434 450 E N 0.257 120.424 120.200 -0.055 0.000 2.013 450 E HA -0.234 4.115 4.350 -0.000 0.000 0.202 450 E C 2.075 178.656 176.600 -0.031 0.000 1.018 450 E CA 1.571 57.946 56.400 -0.043 0.000 0.834 450 E CB -0.541 29.138 29.700 -0.035 0.000 0.770 450 E HN 0.488 nan 8.360 nan 0.000 0.459 451 K N 0.998 121.382 120.400 -0.026 0.000 2.211 451 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 451 K C 1.515 178.103 176.600 -0.020 0.000 1.047 451 K CA 0.892 57.168 56.287 -0.019 0.000 0.935 451 K CB -0.335 32.156 32.500 -0.015 0.000 0.728 451 K HN 0.182 nan 8.250 nan 0.000 0.452 452 D N 0.379 120.764 120.400 -0.025 0.000 2.347 452 D HA -0.062 4.578 4.640 -0.000 0.000 0.215 452 D C 0.496 176.781 176.300 -0.024 0.000 0.976 452 D CA 0.723 54.709 54.000 -0.024 0.000 0.884 452 D CB 0.256 41.039 40.800 -0.028 0.000 0.915 452 D HN 0.111 nan 8.370 nan 0.000 0.526 453 K N 0.400 120.784 120.400 -0.027 0.000 3.072 453 K HA 0.099 4.418 4.320 -0.000 0.000 0.216 453 K C -2.335 174.249 176.600 -0.026 0.000 1.253 453 K CA -0.766 55.505 56.287 -0.026 0.000 0.891 453 K CB 1.560 34.041 32.500 -0.030 0.000 1.224 453 K HN -0.250 nan 8.250 nan 0.000 0.570 454 P HA -0.162 nan 4.420 nan 0.000 0.226 454 P C 0.880 178.169 177.300 -0.018 0.000 1.146 454 P CA 1.076 64.165 63.100 -0.018 0.000 0.773 454 P CB 0.264 31.956 31.700 -0.013 0.000 0.772 455 S N -1.353 114.336 115.700 -0.018 0.000 2.561 455 S HA -0.000 4.469 4.470 -0.000 0.000 0.225 455 S C 0.775 175.360 174.600 -0.025 0.000 0.977 455 S CA -0.201 57.988 58.200 -0.018 0.000 0.926 455 S CB -0.854 62.337 63.200 -0.014 0.000 0.769 455 S HN 0.077 nan 8.310 nan 0.000 0.533 456 L N 2.408 123.612 121.223 -0.032 0.000 2.276 456 L HA 0.552 4.892 4.340 -0.000 0.000 0.286 456 L C -0.258 176.584 176.870 -0.047 0.000 1.024 456 L CA -0.832 53.982 54.840 -0.043 0.000 0.826 456 L CB 1.257 43.285 42.059 -0.050 0.000 1.211 456 L HN 0.144 nan 8.230 nan 0.000 0.422 457 R N 4.112 124.583 120.500 -0.048 0.000 2.254 457 R HA 0.605 4.944 4.340 -0.000 0.000 0.318 457 R C -1.406 174.853 176.300 -0.069 0.000 1.031 457 R CA -0.540 55.532 56.100 -0.048 0.000 0.905 457 R CB 1.012 31.291 30.300 -0.035 0.000 1.050 457 R HN 0.561 nan 8.270 nan 0.000 0.456 458 V N 7.415 127.285 119.914 -0.073 0.000 2.277 458 V HA 0.277 4.397 4.120 -0.000 0.000 0.269 458 V C 0.301 176.337 176.094 -0.097 0.000 1.036 458 V CA -0.597 61.646 62.300 -0.096 0.000 0.821 458 V CB 0.777 32.534 31.823 -0.110 0.000 1.052 458 V HN 0.702 nan 8.190 nan 0.000 0.462 459 I N 5.045 125.528 120.570 -0.144 0.000 2.416 459 I HA 0.512 4.682 4.170 -0.000 0.000 0.288 459 I C 0.629 176.516 176.117 -0.383 0.000 1.051 459 I CA 0.592 61.758 61.300 -0.224 0.000 1.375 459 I CB 1.166 39.014 38.000 -0.253 0.000 1.407 459 I HN 0.798 nan 8.210 nan 0.000 0.516 460 S N 0.000 115.533 115.700 -0.278 0.000 2.498 460 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 460 S CA 0.000 58.090 58.200 -0.184 0.000 1.107 460 S CB 0.000 63.302 63.200 0.171 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517