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 3aer_1_C DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KMQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVMIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAMVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRMLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFMFPDSQLE DATA SEQUENCE IPLARFLARE CGMKTTEIAT PFLHKAIMAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLN 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.484 174.700 -0.361 0.000 1.109 7 T CA 0.000 61.996 62.100 -0.173 0.000 1.349 7 T CB 0.000 68.812 68.868 -0.094 0.000 0.612 8 F N 1.651 121.592 119.950 -0.016 0.000 2.798 8 F HA 0.618 5.145 4.527 -0.000 0.000 0.328 8 F C 1.182 176.974 175.800 -0.014 0.000 1.098 8 F CA -0.132 57.859 58.000 -0.016 0.000 1.172 8 F CB 1.245 40.237 39.000 -0.013 0.000 1.072 8 F HN 0.296 nan 8.300 nan 0.000 0.555 9 G N -1.110 107.760 108.800 0.117 0.000 2.377 9 G HA2 0.402 4.362 3.960 -0.000 0.000 0.299 9 G HA3 0.402 4.362 3.960 -0.000 0.000 0.299 9 G C -0.011 174.909 174.900 0.033 0.000 1.150 9 G CA -0.070 45.074 45.100 0.072 0.000 0.847 9 G HN 0.294 nan 8.290 nan 0.000 0.501 10 C N 0.597 119.915 119.300 0.030 0.000 4.100 10 C HA 0.167 4.627 4.460 -0.000 0.000 0.393 10 C C 2.673 177.665 174.990 0.004 0.000 1.619 10 C CA 0.651 59.674 59.018 0.008 0.000 1.976 10 C CB -0.425 27.320 27.740 0.008 0.000 2.992 10 C HN 0.817 nan 8.230 nan 0.000 0.694 11 T N 1.236 115.797 114.554 0.011 0.000 2.701 11 T HA -0.262 4.088 4.350 -0.000 0.000 0.265 11 T C 0.980 175.678 174.700 -0.004 0.000 1.032 11 T CA 2.382 64.486 62.100 0.006 0.000 1.158 11 T CB -0.210 68.663 68.868 0.008 0.000 0.854 11 T HN 0.524 nan 8.240 nan 0.000 0.463 12 D N 0.692 121.088 120.400 -0.005 0.000 2.366 12 D HA 0.093 4.733 4.640 -0.000 0.000 0.205 12 D C 0.970 177.261 176.300 -0.015 0.000 1.022 12 D CA 0.149 54.143 54.000 -0.010 0.000 0.868 12 D CB -0.051 40.744 40.800 -0.008 0.000 0.953 12 D HN 0.479 nan 8.370 nan 0.000 0.514 13 S N 2.326 118.015 115.700 -0.018 0.000 2.560 13 S HA 0.208 4.678 4.470 -0.000 0.000 0.284 13 S C -2.223 172.361 174.600 -0.026 0.000 1.327 13 S CA -1.116 57.069 58.200 -0.024 0.000 1.055 13 S CB 0.660 63.842 63.200 -0.029 0.000 0.868 13 S HN -0.015 nan 8.310 nan 0.000 0.506 14 P HA 0.115 nan 4.420 nan 0.000 0.266 14 P C -0.203 177.079 177.300 -0.030 0.000 1.215 14 P CA -0.294 62.791 63.100 -0.025 0.000 0.763 14 P CB 0.632 32.320 31.700 -0.020 0.000 0.806 15 V N 4.952 124.846 119.914 -0.033 0.000 2.461 15 V HA 0.230 4.350 4.120 -0.000 0.000 0.275 15 V C 0.530 176.607 176.094 -0.029 0.000 1.047 15 V CA -0.836 61.442 62.300 -0.038 0.000 0.955 15 V CB 0.534 32.328 31.823 -0.049 0.000 0.988 15 V HN 0.552 nan 8.190 nan 0.000 0.471 16 R N 6.754 127.238 120.500 -0.027 0.000 2.347 16 R HA 0.359 4.699 4.340 -0.000 0.000 0.304 16 R C -0.450 175.846 176.300 -0.008 0.000 1.072 16 R CA -0.312 55.779 56.100 -0.015 0.000 0.980 16 R CB 0.377 30.668 30.300 -0.014 0.000 0.986 16 R HN 0.807 nan 8.270 nan 0.000 0.448 17 R N 4.202 124.703 120.500 0.002 0.000 2.360 17 R HA 0.268 4.608 4.340 -0.000 0.000 0.318 17 R C -0.783 175.531 176.300 0.023 0.000 0.950 17 R CA -0.595 55.512 56.100 0.012 0.000 0.837 17 R CB 1.956 32.262 30.300 0.011 0.000 1.165 17 R HN 0.672 nan 8.270 nan 0.000 0.458 18 E N 2.367 122.587 120.200 0.033 0.000 2.312 18 E HA 0.467 4.817 4.350 -0.000 0.000 0.267 18 E C -0.827 175.802 176.600 0.049 0.000 0.894 18 E CA -1.054 55.370 56.400 0.040 0.000 0.773 18 E CB 2.943 32.670 29.700 0.045 0.000 1.241 18 E HN 0.478 nan 8.360 nan 0.000 0.432 19 R N 0.277 120.805 120.500 0.047 0.000 2.535 19 R HA 0.731 5.070 4.340 -0.000 0.000 0.274 19 R C -0.687 175.639 176.300 0.043 0.000 1.090 19 R CA -0.682 55.448 56.100 0.050 0.000 0.930 19 R CB 1.565 31.896 30.300 0.051 0.000 1.223 19 R HN 0.629 nan 8.270 nan 0.000 0.441 20 G N 1.266 110.093 108.800 0.044 0.000 2.894 20 G HA2 0.155 4.115 3.960 -0.000 0.000 0.164 20 G HA3 0.155 4.115 3.960 -0.000 0.000 0.164 20 G C -1.182 173.738 174.900 0.032 0.000 1.180 20 G CA -0.786 44.335 45.100 0.036 0.000 0.997 20 G HN 0.493 nan 8.290 nan 0.000 0.572 21 Q N 0.824 120.640 119.800 0.027 0.000 2.315 21 Q HA 0.228 4.568 4.340 -0.000 0.000 0.289 21 Q C -0.522 175.491 176.000 0.021 0.000 1.044 21 Q CA 0.942 56.755 55.803 0.018 0.000 0.920 21 Q CB 0.660 29.405 28.738 0.011 0.000 1.214 21 Q HN 0.260 nan 8.270 nan 0.000 0.392 22 K N 0.456 120.860 120.400 0.007 0.000 2.395 22 K HA 0.666 4.986 4.320 -0.000 0.000 0.247 22 K C -1.293 175.284 176.600 -0.039 0.000 0.973 22 K CA -0.663 55.626 56.287 0.004 0.000 0.828 22 K CB 2.041 34.552 32.500 0.018 0.000 1.272 22 K HN 0.564 nan 8.250 nan 0.000 0.439 23 A N 1.692 124.473 122.820 -0.063 0.000 3.082 23 A HA 0.467 4.787 4.320 -0.000 0.000 0.328 23 A C -0.934 176.547 177.584 -0.172 0.000 1.089 23 A CA -0.517 51.437 52.037 -0.139 0.000 0.802 23 A CB 0.042 18.935 19.000 -0.177 0.000 1.138 23 A HN 0.391 nan 8.150 nan 0.000 0.474 24 V N -2.627 117.186 119.914 -0.169 0.000 3.114 24 V HA 0.841 4.961 4.120 -0.000 0.000 0.308 24 V C -0.849 175.132 176.094 -0.189 0.000 1.168 24 V CA -1.277 60.928 62.300 -0.158 0.000 1.015 24 V CB 1.307 33.135 31.823 0.009 0.000 1.050 24 V HN 0.314 nan 8.190 nan 0.000 0.433 25 F N 2.087 121.976 119.950 -0.102 0.000 2.382 25 F HA 0.658 5.185 4.527 -0.000 0.000 0.331 25 F C 1.262 177.068 175.800 0.010 0.000 1.121 25 F CA 0.028 57.965 58.000 -0.105 0.000 1.183 25 F CB 0.816 39.630 39.000 -0.310 0.000 1.207 25 F HN 1.086 nan 8.300 nan 0.000 0.555 26 C N 0.753 120.212 119.300 0.265 0.000 2.480 26 C HA 0.621 5.081 4.460 -0.000 0.000 0.344 26 C C 1.805 176.894 174.990 0.164 0.000 1.380 26 C CA -0.088 59.031 59.018 0.169 0.000 2.386 26 C CB 0.321 28.125 27.740 0.106 0.000 2.210 26 C HN 0.989 nan 8.230 nan 0.000 0.640 27 G N -0.170 108.690 108.800 0.101 0.000 2.471 27 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.219 27 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.219 27 G C 1.152 176.040 174.900 -0.021 0.000 1.125 27 G CA 0.515 45.649 45.100 0.057 0.000 0.775 27 G HN 0.674 nan 8.290 nan 0.000 0.548 28 L N 1.629 122.833 121.223 -0.032 0.000 2.051 28 L HA -0.148 4.192 4.340 -0.000 0.000 0.214 28 L C 3.124 179.854 176.870 -0.234 0.000 1.076 28 L CA 2.157 56.926 54.840 -0.118 0.000 0.758 28 L CB -1.305 40.702 42.059 -0.087 0.000 0.890 28 L HN 0.227 nan 8.230 nan 0.000 0.433 29 T N -0.929 113.519 114.554 -0.177 0.000 2.685 29 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 29 T C 2.037 176.518 174.700 -0.365 0.000 1.034 29 T CA 1.741 63.702 62.100 -0.232 0.000 1.149 29 T CB -0.664 68.095 68.868 -0.182 0.000 0.860 29 T HN 0.627 nan 8.240 nan 0.000 0.449 30 S N 1.695 117.069 115.700 -0.544 0.000 2.407 30 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 30 S C 1.970 175.707 174.600 -1.440 0.000 1.036 30 S CA 1.253 58.572 58.200 -1.469 0.000 1.013 30 S CB -0.991 61.603 63.200 -1.009 0.000 0.820 30 S HN 0.530 nan 8.310 nan 0.000 0.476 31 I N 1.155 121.163 120.570 -0.936 0.000 2.208 31 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 31 I C 2.544 178.146 176.117 -0.859 0.000 1.097 31 I CA 1.095 61.775 61.300 -1.034 0.000 1.363 31 I CB -0.529 36.934 38.000 -0.894 0.000 1.051 31 I HN 0.199 nan 8.210 nan 0.000 0.413 32 V N 0.815 120.313 119.914 -0.692 0.000 2.250 32 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 32 V C 2.159 178.240 176.094 -0.022 0.000 1.060 32 V CA 2.820 64.913 62.300 -0.346 0.000 1.030 32 V CB -0.865 30.842 31.823 -0.193 0.000 0.643 32 V HN 0.792 nan 8.190 nan 0.000 0.445 33 W N -0.451 120.754 121.300 -0.157 0.000 2.480 33 W HA 0.081 4.741 4.660 -0.000 0.000 0.299 33 W C 1.931 178.315 176.519 -0.224 0.000 1.187 33 W CA 0.703 57.959 57.345 -0.148 0.000 1.347 33 W CB -1.352 28.059 29.460 -0.081 0.000 1.121 33 W HN 0.132 nan 8.180 nan 0.000 0.533 34 L N 2.195 122.950 121.223 -0.782 0.000 1.997 34 L HA -0.273 4.067 4.340 -0.000 0.000 0.216 34 L C 3.038 179.699 176.870 -0.348 0.000 1.074 34 L CA 2.844 57.323 54.840 -0.602 0.000 0.763 34 L CB -1.631 39.884 42.059 -0.906 0.000 0.890 34 L HN 0.523 nan 8.230 nan 0.000 0.434 35 H N -1.484 117.276 119.070 -0.517 0.000 2.390 35 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 35 H C 2.228 177.572 175.328 0.025 0.000 1.106 35 H CA 1.872 57.830 56.048 -0.149 0.000 1.297 35 H CB -0.467 29.210 29.762 -0.141 0.000 1.375 35 H HN 0.319 nan 8.280 nan 0.000 0.509 36 R N -0.016 119.997 120.500 -0.810 0.000 2.117 36 R HA -0.141 4.199 4.340 -0.000 0.000 0.243 36 R C 2.136 178.343 176.300 -0.155 0.000 1.143 36 R CA 1.726 57.528 56.100 -0.497 0.000 0.968 36 R CB -0.116 29.976 30.300 -0.347 0.000 0.863 36 R HN 0.275 nan 8.270 nan 0.000 0.444 37 K N 0.278 120.629 120.400 -0.081 0.000 2.186 37 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 37 K C 0.563 177.185 176.600 0.036 0.000 1.052 37 K CA 0.949 57.233 56.287 -0.004 0.000 0.965 37 K CB 0.425 32.939 32.500 0.023 0.000 0.746 37 K HN 0.001 nan 8.250 nan 0.000 0.457 38 M N 1.693 121.341 119.600 0.079 0.000 3.028 38 M HA 0.146 4.626 4.480 -0.000 0.000 0.296 38 M C 0.269 176.673 176.300 0.174 0.000 1.314 38 M CA -0.193 55.198 55.300 0.151 0.000 1.383 38 M CB 1.021 33.766 32.600 0.242 0.000 1.128 38 M HN 0.023 nan 8.290 nan 0.000 0.544 39 Q N 0.688 120.557 119.800 0.116 0.000 2.096 39 Q HA -0.225 4.115 4.340 -0.000 0.000 0.208 39 Q C 1.334 177.418 176.000 0.139 0.000 0.993 39 Q CA 1.692 57.564 55.803 0.115 0.000 0.862 39 Q CB 0.061 28.846 28.738 0.078 0.000 0.915 39 Q HN 0.580 nan 8.270 nan 0.000 0.416 40 D N -0.443 120.032 120.400 0.125 0.000 2.350 40 D HA 0.017 4.657 4.640 -0.000 0.000 0.216 40 D C -0.274 176.109 176.300 0.138 0.000 0.968 40 D CA 0.531 54.596 54.000 0.108 0.000 0.894 40 D CB 0.127 40.971 40.800 0.074 0.000 0.909 40 D HN 0.230 nan 8.370 nan 0.000 0.520 41 A N -0.048 122.897 122.820 0.209 0.000 2.325 41 A HA 0.529 4.849 4.320 -0.000 0.000 0.333 41 A C -1.028 176.743 177.584 0.312 0.000 1.155 41 A CA -0.527 51.650 52.037 0.233 0.000 0.814 41 A CB 1.098 20.285 19.000 0.313 0.000 1.206 41 A HN 0.044 nan 8.150 nan 0.000 0.482 42 F N 1.116 121.124 119.950 0.097 0.000 2.495 42 F HA 0.707 5.234 4.527 -0.000 0.000 0.327 42 F C -1.462 174.397 175.800 0.098 0.000 1.103 42 F CA -1.240 56.857 58.000 0.162 0.000 0.949 42 F CB 1.382 40.433 39.000 0.085 0.000 1.142 42 F HN 0.427 nan 8.300 nan 0.000 0.457 43 F N 7.205 127.055 119.950 -0.167 0.000 2.334 43 F HA 0.413 4.940 4.527 -0.000 0.000 0.367 43 F C -0.652 175.199 175.800 0.085 0.000 1.115 43 F CA -0.757 57.274 58.000 0.052 0.000 1.116 43 F CB 1.139 40.095 39.000 -0.072 0.000 1.230 43 F HN 0.226 nan 8.300 nan 0.000 0.484 44 L N 5.410 126.904 121.223 0.451 0.000 2.262 44 L HA 0.538 4.878 4.340 -0.000 0.000 0.288 44 L C -0.645 176.338 176.870 0.190 0.000 1.035 44 L CA -0.445 54.641 54.840 0.410 0.000 0.820 44 L CB 0.840 43.093 42.059 0.323 0.000 1.204 44 L HN 0.283 nan 8.230 nan 0.000 0.424 45 V N 5.973 125.977 119.914 0.150 0.000 2.546 45 V HA 0.319 4.439 4.120 -0.000 0.000 0.284 45 V C -0.134 175.988 176.094 0.047 0.000 1.050 45 V CA -0.550 61.783 62.300 0.054 0.000 0.981 45 V CB 1.679 33.520 31.823 0.031 0.000 0.990 45 V HN 0.476 nan 8.190 nan 0.000 0.474 46 V N 5.029 124.948 119.914 0.009 0.000 2.311 46 V HA 0.880 5.000 4.120 -0.000 0.000 0.275 46 V C 0.579 176.670 176.094 -0.005 0.000 1.022 46 V CA 0.419 62.720 62.300 0.001 0.000 0.830 46 V CB 0.477 32.290 31.823 -0.016 0.000 1.012 46 V HN 1.101 nan 8.190 nan 0.000 0.452 47 G N 2.679 111.482 108.800 0.004 0.000 2.570 47 G HA2 0.487 4.447 3.960 -0.000 0.000 0.310 47 G HA3 0.487 4.447 3.960 -0.000 0.000 0.310 47 G C -0.697 174.209 174.900 0.009 0.000 1.266 47 G CA -0.028 45.074 45.100 0.004 0.000 0.825 47 G HN 0.578 nan 8.290 nan 0.000 0.483 48 S N -1.272 114.435 115.700 0.011 0.000 2.617 48 S HA 0.227 4.697 4.470 -0.000 0.000 0.259 48 S C 1.803 176.416 174.600 0.022 0.000 1.301 48 S CA 0.305 58.512 58.200 0.012 0.000 0.984 48 S CB 1.054 64.260 63.200 0.010 0.000 0.954 48 S HN 0.702 nan 8.310 nan 0.000 0.572 49 R N 0.131 120.640 120.500 0.015 0.000 2.120 49 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 49 R C 1.984 178.310 176.300 0.042 0.000 1.123 49 R CA 2.080 58.193 56.100 0.022 0.000 0.975 49 R CB -1.031 29.268 30.300 -0.003 0.000 0.866 49 R HN 0.774 nan 8.270 nan 0.000 0.446 50 T N 0.098 114.668 114.554 0.026 0.000 2.685 50 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 50 T C 1.922 176.680 174.700 0.097 0.000 1.034 50 T CA 1.666 63.800 62.100 0.057 0.000 1.149 50 T CB -0.403 68.485 68.868 0.033 0.000 0.860 50 T HN 0.444 nan 8.240 nan 0.000 0.449 51 C N 1.498 120.836 119.300 0.063 0.000 2.446 51 C HA 0.165 4.625 4.460 -0.000 0.000 0.277 51 C C 3.226 178.254 174.990 0.064 0.000 1.275 51 C CA 0.072 59.122 59.018 0.052 0.000 1.727 51 C CB -1.509 26.248 27.740 0.029 0.000 2.010 51 C HN 0.659 nan 8.230 nan 0.000 0.486 52 A N -0.332 122.536 122.820 0.080 0.000 1.940 52 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 52 A C 2.115 179.768 177.584 0.115 0.000 1.176 52 A CA 1.943 54.036 52.037 0.093 0.000 0.631 52 A CB -1.110 17.941 19.000 0.086 0.000 0.814 52 A HN 0.829 nan 8.150 nan 0.000 0.446 53 H N -0.780 118.302 119.070 0.019 0.000 2.357 53 H HA -0.101 4.455 4.556 -0.000 0.000 0.301 53 H C 2.090 177.431 175.328 0.021 0.000 1.082 53 H CA 1.710 57.769 56.048 0.018 0.000 1.342 53 H CB -0.023 29.749 29.762 0.017 0.000 1.389 53 H HN 0.429 nan 8.280 nan 0.000 0.511 54 L N 0.972 122.226 121.223 0.053 0.000 2.046 54 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 54 L C 2.205 179.041 176.870 -0.056 0.000 1.077 54 L CA 1.304 56.147 54.840 0.005 0.000 0.747 54 L CB -0.640 41.455 42.059 0.061 0.000 0.896 54 L HN 0.221 nan 8.230 nan 0.000 0.432 55 L N -0.710 120.481 121.223 -0.054 0.000 2.093 55 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 55 L C 2.723 179.570 176.870 -0.038 0.000 1.085 55 L CA 1.627 56.406 54.840 -0.101 0.000 0.755 55 L CB -0.636 41.379 42.059 -0.074 0.000 0.904 55 L HN 0.489 nan 8.230 nan 0.000 0.435 56 Q N 0.187 119.968 119.800 -0.031 0.000 2.020 56 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 56 Q C 2.301 178.232 176.000 -0.116 0.000 0.982 56 Q CA 2.082 57.840 55.803 -0.076 0.000 0.838 56 Q CB -0.080 28.606 28.738 -0.087 0.000 0.899 56 Q HN 0.488 nan 8.270 nan 0.000 0.423 57 A N 0.717 123.441 122.820 -0.160 0.000 1.845 57 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 57 A C 2.319 179.871 177.584 -0.054 0.000 1.195 57 A CA 1.853 53.818 52.037 -0.120 0.000 0.616 57 A CB -1.272 17.645 19.000 -0.138 0.000 0.832 57 A HN 0.573 nan 8.150 nan 0.000 0.443 58 A N -0.468 122.312 122.820 -0.067 0.000 1.972 58 A HA 0.179 4.499 4.320 -0.000 0.000 0.219 58 A C 2.342 179.892 177.584 -0.057 0.000 1.169 58 A CA 2.005 53.986 52.037 -0.093 0.000 0.635 58 A CB -0.782 18.066 19.000 -0.253 0.000 0.810 58 A HN 1.111 nan 8.150 nan 0.000 0.446 59 A N -1.337 121.452 122.820 -0.053 0.000 2.123 59 A HA 0.413 4.733 4.320 -0.000 0.000 0.214 59 A C 1.961 179.537 177.584 -0.013 0.000 1.152 59 A CA 1.397 53.431 52.037 -0.005 0.000 0.728 59 A CB -1.194 17.869 19.000 0.105 0.000 0.814 59 A HN 1.826 nan 8.150 nan 0.000 0.464 60 G N -0.426 108.358 108.800 -0.026 0.000 2.652 60 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.318 60 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.318 60 G C 1.242 176.141 174.900 -0.001 0.000 1.295 60 G CA 2.263 47.361 45.100 -0.004 0.000 0.999 60 G HN 1.438 nan 8.290 nan 0.000 0.548 61 V N -1.257 118.708 119.914 0.085 0.000 3.141 61 V HA 0.173 4.293 4.120 -0.000 0.000 0.265 61 V C 2.641 178.820 176.094 0.142 0.000 1.126 61 V CA 2.553 64.987 62.300 0.223 0.000 1.141 61 V CB -0.549 31.416 31.823 0.237 0.000 0.743 61 V HN 0.699 nan 8.190 nan 0.000 0.492 62 M N -0.023 119.604 119.600 0.044 0.000 2.267 62 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 62 M C 1.957 178.224 176.300 -0.054 0.000 1.063 62 M CA 1.985 57.310 55.300 0.041 0.000 1.090 62 M CB -0.242 32.411 32.600 0.088 0.000 1.392 62 M HN 0.441 nan 8.290 nan 0.000 0.422 63 I N 0.114 120.553 120.570 -0.219 0.000 2.423 63 I HA -0.251 3.919 4.170 -0.000 0.000 0.254 63 I C 0.711 176.538 176.117 -0.483 0.000 1.151 63 I CA 1.509 62.551 61.300 -0.430 0.000 1.421 63 I CB -0.145 37.500 38.000 -0.593 0.000 1.079 63 I HN 0.223 nan 8.210 nan 0.000 0.431 64 F N -0.097 119.838 119.950 -0.025 0.000 2.664 64 F HA 0.379 4.905 4.527 -0.000 0.000 0.301 64 F C 1.623 177.411 175.800 -0.021 0.000 1.126 64 F CA 0.295 58.282 58.000 -0.023 0.000 1.373 64 F CB -0.563 38.431 39.000 -0.010 0.000 1.042 64 F HN 0.024 nan 8.300 nan 0.000 0.535 65 A N -0.251 122.614 122.820 0.075 0.000 2.637 65 A HA 0.268 4.588 4.320 -0.000 0.000 0.293 65 A C 0.718 178.312 177.584 0.017 0.000 1.216 65 A CA -0.225 51.850 52.037 0.064 0.000 0.956 65 A CB -0.502 18.541 19.000 0.072 0.000 1.174 65 A HN 0.332 nan 8.150 nan 0.000 0.525 66 E N 0.528 120.714 120.200 -0.023 0.000 2.210 66 E HA -0.146 4.204 4.350 -0.000 0.000 0.201 66 E C -2.054 174.495 176.600 -0.085 0.000 1.339 66 E CA 0.369 56.739 56.400 -0.050 0.000 0.699 66 E CB -1.071 28.632 29.700 0.006 0.000 1.126 66 E HN 0.643 nan 8.360 nan 0.000 0.355 67 P HA 0.035 nan 4.420 nan 0.000 0.274 67 P C -0.201 176.885 177.300 -0.355 0.000 1.256 67 P CA 0.023 62.959 63.100 -0.274 0.000 0.795 67 P CB 0.518 31.867 31.700 -0.585 0.000 1.038 68 R N 0.747 121.103 120.500 -0.240 0.000 4.031 68 R HA 0.297 4.637 4.340 -0.000 0.000 0.269 68 R C -0.090 175.772 176.300 -0.730 0.000 1.668 68 R CA -0.104 55.882 56.100 -0.189 0.000 1.432 68 R CB -0.823 29.585 30.300 0.181 0.000 1.374 68 R HN 0.488 nan 8.270 nan 0.000 0.681 69 F N -2.617 116.757 119.950 -0.960 0.000 2.675 69 F HA 0.917 5.444 4.527 -0.000 0.000 0.324 69 F C 0.009 175.464 175.800 -0.574 0.000 1.106 69 F CA -1.276 56.055 58.000 -1.115 0.000 0.970 69 F CB 1.272 39.907 39.000 -0.609 0.000 1.385 69 F HN -0.023 nan 8.300 nan 0.000 0.489 70 G N -0.656 108.191 108.800 0.078 0.000 2.451 70 G HA2 0.487 4.447 3.960 -0.000 0.000 0.292 70 G HA3 0.487 4.447 3.960 -0.000 0.000 0.292 70 G C -2.066 173.008 174.900 0.289 0.000 1.427 70 G CA -0.331 44.932 45.100 0.271 0.000 0.792 70 G HN 0.986 nan 8.290 nan 0.000 0.498 71 T N -1.288 113.385 114.554 0.198 0.000 2.879 71 T HA 0.641 4.991 4.350 -0.000 0.000 0.290 71 T C 0.096 174.854 174.700 0.097 0.000 0.993 71 T CA 0.497 62.681 62.100 0.140 0.000 0.975 71 T CB 1.070 69.999 68.868 0.102 0.000 0.981 71 T HN 1.768 nan 8.240 nan 0.000 0.439 72 A N 4.845 127.712 122.820 0.078 0.000 2.797 72 A HA 0.493 4.813 4.320 -0.000 0.000 0.296 72 A C 0.766 178.366 177.584 0.026 0.000 1.580 72 A CA -0.495 51.567 52.037 0.042 0.000 1.277 72 A CB -0.886 18.130 19.000 0.026 0.000 1.101 72 A HN 1.266 nan 8.150 nan 0.000 0.562 73 V N 5.355 125.285 119.914 0.027 0.000 2.470 73 V HA 0.256 4.376 4.120 -0.000 0.000 0.276 73 V C 0.140 176.238 176.094 0.006 0.000 1.040 73 V CA -0.755 61.556 62.300 0.019 0.000 1.008 73 V CB -0.020 31.817 31.823 0.024 0.000 0.990 73 V HN 0.563 nan 8.190 nan 0.000 0.477 74 L N 6.201 127.424 121.223 -0.000 0.000 2.514 74 L HA 0.272 4.612 4.340 -0.000 0.000 0.280 74 L C 0.699 177.565 176.870 -0.006 0.000 1.223 74 L CA 0.834 55.669 54.840 -0.008 0.000 0.864 74 L CB -0.352 41.699 42.059 -0.012 0.000 1.118 74 L HN 0.808 nan 8.230 nan 0.000 0.494 75 E N 1.651 121.846 120.200 -0.009 0.000 2.281 75 E HA 0.233 4.583 4.350 -0.000 0.000 0.257 75 E C 0.599 177.194 176.600 -0.008 0.000 0.971 75 E CA -0.818 55.578 56.400 -0.007 0.000 0.839 75 E CB 1.177 30.873 29.700 -0.006 0.000 1.238 75 E HN 0.435 nan 8.360 nan 0.000 0.412 76 E N 0.847 121.043 120.200 -0.006 0.000 2.085 76 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 76 E C 1.839 178.435 176.600 -0.006 0.000 0.994 76 E CA 1.666 58.062 56.400 -0.006 0.000 0.801 76 E CB -0.108 29.590 29.700 -0.005 0.000 0.743 76 E HN 0.499 nan 8.360 nan 0.000 0.453 77 Q N 0.893 120.689 119.800 -0.006 0.000 2.291 77 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 77 Q C 1.118 177.113 176.000 -0.009 0.000 0.976 77 Q CA 1.379 57.178 55.803 -0.006 0.000 0.875 77 Q CB -0.068 28.668 28.738 -0.004 0.000 0.927 77 Q HN 0.141 nan 8.270 nan 0.000 0.450 78 D N 0.521 120.913 120.400 -0.013 0.000 2.349 78 D HA 0.055 4.695 4.640 -0.000 0.000 0.224 78 D C 0.576 176.861 176.300 -0.024 0.000 1.029 78 D CA 0.508 54.495 54.000 -0.022 0.000 0.879 78 D CB 0.378 41.161 40.800 -0.028 0.000 0.906 78 D HN 0.371 nan 8.370 nan 0.000 0.528 79 L N -0.486 120.728 121.223 -0.015 0.000 3.017 79 L HA 0.515 4.854 4.340 -0.000 0.000 0.255 79 L C 0.737 177.603 176.870 -0.007 0.000 1.247 79 L CA -0.358 54.474 54.840 -0.013 0.000 1.038 79 L CB 0.415 42.468 42.059 -0.010 0.000 1.380 79 L HN -0.138 nan 8.230 nan 0.000 0.548 80 A N -0.295 122.523 122.820 -0.004 0.000 3.117 80 A HA 0.786 5.106 4.320 -0.000 0.000 0.158 80 A C 0.158 177.743 177.584 0.001 0.000 1.138 80 A CA 0.293 52.326 52.037 -0.006 0.000 2.059 80 A CB -0.490 18.505 19.000 -0.007 0.000 2.607 80 A HN 0.102 nan 8.150 nan 0.000 1.059 81 G N -1.076 107.729 108.800 0.009 0.000 2.537 81 G HA2 0.482 4.442 3.960 -0.000 0.000 0.297 81 G HA3 0.482 4.442 3.960 -0.000 0.000 0.297 81 G C 0.386 175.303 174.900 0.028 0.000 1.310 81 G CA -0.311 44.799 45.100 0.017 0.000 1.027 81 G HN 0.349 nan 8.290 nan 0.000 0.505 82 L N 0.548 121.805 121.223 0.056 0.000 2.093 82 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 82 L C 3.291 180.287 176.870 0.210 0.000 1.085 82 L CA 1.816 56.727 54.840 0.119 0.000 0.755 82 L CB -1.659 40.507 42.059 0.179 0.000 0.904 82 L HN 0.617 nan 8.230 nan 0.000 0.435 83 A N 0.245 123.146 122.820 0.135 0.000 1.884 83 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 83 A C 1.992 179.637 177.584 0.102 0.000 1.197 83 A CA 2.334 54.436 52.037 0.109 0.000 0.637 83 A CB -0.785 18.247 19.000 0.053 0.000 0.827 83 A HN 0.436 nan 8.150 nan 0.000 0.450 84 D N -0.222 120.215 120.400 0.061 0.000 2.183 84 D HA 0.112 4.752 4.640 -0.000 0.000 0.203 84 D C 2.113 178.428 176.300 0.024 0.000 0.969 84 D CA 1.276 55.298 54.000 0.038 0.000 0.842 84 D CB -0.488 40.325 40.800 0.021 0.000 0.957 84 D HN 0.452 nan 8.370 nan 0.000 0.484 85 A N 0.819 123.640 122.820 0.001 0.000 1.902 85 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 85 A C 1.918 179.447 177.584 -0.092 0.000 1.181 85 A CA 1.322 53.318 52.037 -0.069 0.000 0.623 85 A CB -0.752 18.169 19.000 -0.132 0.000 0.818 85 A HN 0.311 nan 8.150 nan 0.000 0.443 86 H N -0.695 118.376 119.070 0.002 0.000 2.357 86 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 86 H C 2.030 177.359 175.328 0.002 0.000 1.082 86 H CA 1.582 57.631 56.048 0.002 0.000 1.342 86 H CB -0.074 29.689 29.762 0.002 0.000 1.389 86 H HN 0.446 nan 8.280 nan 0.000 0.511 87 K N 1.093 121.562 120.400 0.115 0.000 2.148 87 K HA -0.164 4.156 4.320 -0.000 0.000 0.204 87 K C 2.089 178.711 176.600 0.038 0.000 1.050 87 K CA 1.239 57.565 56.287 0.064 0.000 0.942 87 K CB 0.197 32.724 32.500 0.045 0.000 0.724 87 K HN 0.191 nan 8.250 nan 0.000 0.446 88 E N 0.943 121.157 120.200 0.023 0.000 2.047 88 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 88 E C 1.958 178.560 176.600 0.002 0.000 0.987 88 E CA 0.881 57.284 56.400 0.006 0.000 0.799 88 E CB -0.299 29.397 29.700 -0.006 0.000 0.752 88 E HN 0.181 nan 8.360 nan 0.000 0.449 89 L N 1.144 122.366 121.223 -0.003 0.000 2.043 89 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 89 L C 1.389 178.263 176.870 0.007 0.000 1.075 89 L CA 2.296 57.133 54.840 -0.006 0.000 0.752 89 L CB -0.745 41.304 42.059 -0.015 0.000 0.891 89 L HN 0.122 nan 8.230 nan 0.000 0.432 90 D N -0.652 119.767 120.400 0.031 0.000 2.104 90 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 90 D C 2.279 178.601 176.300 0.037 0.000 0.994 90 D CA 1.451 55.477 54.000 0.045 0.000 0.830 90 D CB -0.309 40.527 40.800 0.059 0.000 0.959 90 D HN 0.374 nan 8.370 nan 0.000 0.452 91 R N 0.894 121.408 120.500 0.023 0.000 2.081 91 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 91 R C 1.580 177.880 176.300 0.001 0.000 1.131 91 R CA 1.161 57.269 56.100 0.015 0.000 0.960 91 R CB 0.014 30.319 30.300 0.008 0.000 0.856 91 R HN 0.102 nan 8.270 nan 0.000 0.436 92 E N 0.370 120.564 120.200 -0.010 0.000 2.072 92 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 92 E C 2.157 178.725 176.600 -0.054 0.000 0.985 92 E CA 1.029 57.413 56.400 -0.028 0.000 0.801 92 E CB -0.227 29.458 29.700 -0.025 0.000 0.750 92 E HN 0.196 nan 8.360 nan 0.000 0.452 93 V N 1.835 121.715 119.914 -0.057 0.000 2.295 93 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 93 V C 2.497 178.529 176.094 -0.104 0.000 1.049 93 V CA 1.813 64.044 62.300 -0.116 0.000 1.024 93 V CB -0.937 30.805 31.823 -0.135 0.000 0.648 93 V HN 0.245 nan 8.190 nan 0.000 0.447 94 A N -0.206 122.621 122.820 0.012 0.000 1.903 94 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 94 A C 2.288 179.890 177.584 0.030 0.000 1.191 94 A CA 2.399 54.505 52.037 0.115 0.000 0.638 94 A CB -0.529 18.537 19.000 0.109 0.000 0.823 94 A HN 0.562 nan 8.150 nan 0.000 0.451 95 K N -0.985 119.409 120.400 -0.011 0.000 2.002 95 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 95 K C 2.009 178.568 176.600 -0.067 0.000 1.048 95 K CA 1.513 57.782 56.287 -0.032 0.000 0.930 95 K CB -0.496 31.984 32.500 -0.032 0.000 0.714 95 K HN 0.472 nan 8.250 nan 0.000 0.438 96 L N 1.162 122.315 121.223 -0.116 0.000 2.127 96 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 96 L C 1.889 178.642 176.870 -0.195 0.000 1.089 96 L CA 1.460 56.179 54.840 -0.201 0.000 0.757 96 L CB -0.250 41.614 42.059 -0.325 0.000 0.899 96 L HN 0.087 nan 8.230 nan 0.000 0.434 97 L N 0.144 121.283 121.223 -0.141 0.000 2.095 97 L HA -0.105 4.235 4.340 -0.000 0.000 0.204 97 L C 2.628 179.485 176.870 -0.023 0.000 1.080 97 L CA 1.999 56.786 54.840 -0.088 0.000 0.759 97 L CB -1.290 40.733 42.059 -0.061 0.000 0.914 97 L HN 0.636 nan 8.230 nan 0.000 0.439 98 E N -0.145 120.049 120.200 -0.011 0.000 2.268 98 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 98 E C 2.086 178.674 176.600 -0.019 0.000 0.995 98 E CA 0.954 57.349 56.400 -0.008 0.000 0.836 98 E CB -0.264 29.432 29.700 -0.006 0.000 0.763 98 E HN 0.147 nan 8.360 nan 0.000 0.491 99 R N 1.812 122.290 120.500 -0.036 0.000 2.236 99 R HA 0.041 4.381 4.340 -0.000 0.000 0.208 99 R C -0.076 176.209 176.300 -0.025 0.000 1.036 99 R CA 0.743 56.822 56.100 -0.035 0.000 1.001 99 R CB 0.109 30.378 30.300 -0.052 0.000 0.896 99 R HN 0.268 nan 8.270 nan 0.000 0.464 100 R N -0.292 120.192 120.500 -0.027 0.000 2.797 100 R HA 0.299 4.638 4.340 -0.000 0.000 0.274 100 R C -2.421 173.902 176.300 0.039 0.000 1.652 100 R CA -1.520 54.584 56.100 0.007 0.000 1.175 100 R CB 1.556 31.864 30.300 0.013 0.000 1.283 100 R HN -0.010 nan 8.270 nan 0.000 0.513 101 P HA 0.051 nan 4.420 nan 0.000 0.253 101 P C -0.301 177.126 177.300 0.211 0.000 1.260 101 P CA 0.301 63.468 63.100 0.112 0.000 0.800 101 P CB 0.369 32.084 31.700 0.026 0.000 1.162 102 D N -0.522 119.960 120.400 0.137 0.000 2.340 102 D HA 0.054 4.694 4.640 -0.000 0.000 0.220 102 D C 0.719 177.078 176.300 0.097 0.000 1.039 102 D CA 0.315 54.391 54.000 0.126 0.000 0.866 102 D CB 0.133 40.990 40.800 0.095 0.000 0.913 102 D HN 0.118 nan 8.370 nan 0.000 0.523 103 I N 1.089 121.715 120.570 0.092 0.000 2.474 103 I HA 0.126 4.296 4.170 -0.000 0.000 0.287 103 I C 1.502 177.572 176.117 -0.078 0.000 1.048 103 I CA 0.139 61.468 61.300 0.049 0.000 1.383 103 I CB 1.184 39.227 38.000 0.071 0.000 1.412 103 I HN -0.149 nan 8.210 nan 0.000 0.531 104 R N 3.685 124.125 120.500 -0.101 0.000 2.435 104 R HA 0.222 4.562 4.340 -0.000 0.000 0.221 104 R C -0.162 176.057 176.300 -0.134 0.000 0.885 104 R CA 0.120 56.099 56.100 -0.203 0.000 1.018 104 R CB 0.633 30.824 30.300 -0.181 0.000 1.259 104 R HN 0.608 nan 8.270 nan 0.000 0.597 105 Q N 1.243 120.993 119.800 -0.082 0.000 2.331 105 Q HA 0.427 4.767 4.340 -0.000 0.000 0.267 105 Q C -1.386 174.481 176.000 -0.221 0.000 1.006 105 Q CA -0.676 55.032 55.803 -0.159 0.000 0.818 105 Q CB 2.636 31.300 28.738 -0.124 0.000 1.276 105 Q HN -0.110 nan 8.270 nan 0.000 0.450 106 L N 2.709 123.751 121.223 -0.302 0.000 2.322 106 L HA 0.572 4.912 4.340 -0.000 0.000 0.281 106 L C -1.755 174.917 176.870 -0.331 0.000 1.014 106 L CA -0.235 54.480 54.840 -0.208 0.000 0.815 106 L CB 0.747 42.724 42.059 -0.137 0.000 1.247 106 L HN 0.459 nan 8.230 nan 0.000 0.421 107 F N 5.795 125.704 119.950 -0.068 0.000 2.361 107 F HA 0.439 4.966 4.527 -0.000 0.000 0.364 107 F C -0.188 175.595 175.800 -0.028 0.000 1.117 107 F CA -0.566 57.409 58.000 -0.042 0.000 1.071 107 F CB 1.024 39.896 39.000 -0.214 0.000 1.188 107 F HN 0.238 nan 8.300 nan 0.000 0.464 108 L N 4.950 126.241 121.223 0.113 0.000 2.369 108 L HA 0.311 4.651 4.340 -0.000 0.000 0.279 108 L C -0.399 176.418 176.870 -0.089 0.000 1.108 108 L CA -0.528 54.332 54.840 0.033 0.000 0.852 108 L CB 0.212 42.283 42.059 0.020 0.000 1.169 108 L HN 0.269 nan 8.230 nan 0.000 0.452 109 V N 2.981 122.804 119.914 -0.153 0.000 2.347 109 V HA 0.401 4.521 4.120 -0.000 0.000 0.280 109 V C 0.843 176.812 176.094 -0.208 0.000 1.021 109 V CA -0.586 61.479 62.300 -0.392 0.000 0.847 109 V CB 1.343 32.955 31.823 -0.352 0.000 0.990 109 V HN 0.860 nan 8.190 nan 0.000 0.444 110 G N 3.593 112.278 108.800 -0.191 0.000 2.432 110 G HA2 0.503 4.463 3.960 -0.000 0.000 0.257 110 G HA3 0.503 4.463 3.960 -0.000 0.000 0.257 110 G C 0.206 175.071 174.900 -0.058 0.000 1.238 110 G CA 0.219 45.270 45.100 -0.081 0.000 0.838 110 G HN 0.876 nan 8.290 nan 0.000 0.547 111 S N 0.195 115.876 115.700 -0.031 0.000 2.798 111 S HA 0.308 4.778 4.470 -0.000 0.000 0.312 111 S C 1.378 175.978 174.600 -0.001 0.000 1.122 111 S CA -0.308 57.884 58.200 -0.014 0.000 0.949 111 S CB 1.148 64.342 63.200 -0.010 0.000 1.235 111 S HN 0.541 nan 8.310 nan 0.000 0.552 112 C N 1.239 120.543 119.300 0.007 0.000 2.442 112 C HA 0.089 4.549 4.460 -0.000 0.000 0.279 112 C C -0.427 174.567 174.990 0.006 0.000 1.237 112 C CA 1.329 60.353 59.018 0.011 0.000 1.722 112 C CB -2.248 25.502 27.740 0.016 0.000 2.056 112 C HN 0.751 nan 8.230 nan 0.000 0.469 113 P HA -0.122 nan 4.420 nan 0.000 0.216 113 P C 1.884 179.180 177.300 -0.007 0.000 1.150 113 P CA 2.616 65.716 63.100 -0.001 0.000 0.837 113 P CB -0.293 31.406 31.700 -0.001 0.000 0.786 114 S N -0.489 115.204 115.700 -0.011 0.000 2.383 114 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 114 S C 1.880 176.473 174.600 -0.012 0.000 1.026 114 S CA 1.251 59.439 58.200 -0.019 0.000 0.981 114 S CB -1.058 62.128 63.200 -0.024 0.000 0.818 114 S HN 0.199 nan 8.310 nan 0.000 0.472 115 E N 0.491 120.691 120.200 -0.001 0.000 2.170 115 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 115 E C 2.107 178.714 176.600 0.010 0.000 0.981 115 E CA 0.817 57.222 56.400 0.008 0.000 0.830 115 E CB -0.142 29.566 29.700 0.014 0.000 0.775 115 E HN 0.386 nan 8.360 nan 0.000 0.470 116 V N 1.491 121.410 119.914 0.008 0.000 2.427 116 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 116 V C 2.157 178.254 176.094 0.006 0.000 1.051 116 V CA 1.309 63.615 62.300 0.009 0.000 1.048 116 V CB -0.294 31.534 31.823 0.008 0.000 0.666 116 V HN 0.310 nan 8.190 nan 0.000 0.456 117 L N -0.650 120.573 121.223 -0.000 0.000 2.456 117 L HA -0.055 4.285 4.340 -0.000 0.000 0.224 117 L C 1.168 178.038 176.870 0.000 0.000 1.148 117 L CA 0.548 55.384 54.840 -0.005 0.000 0.825 117 L CB -0.298 41.749 42.059 -0.020 0.000 0.937 117 L HN 0.347 nan 8.230 nan 0.000 0.450 118 K N 0.539 120.944 120.400 0.008 0.000 3.162 118 K HA -0.163 4.157 4.320 -0.000 0.000 0.268 118 K C -0.669 175.953 176.600 0.037 0.000 1.062 118 K CA 0.477 56.779 56.287 0.025 0.000 0.769 118 K CB -1.730 30.789 32.500 0.031 0.000 1.274 118 K HN 0.273 nan 8.250 nan 0.000 0.478 119 L N -0.820 120.407 121.223 0.006 0.000 2.281 119 L HA 0.339 4.679 4.340 -0.000 0.000 0.285 119 L C 0.591 177.514 176.870 0.088 0.000 1.074 119 L CA -0.763 54.076 54.840 -0.002 0.000 0.817 119 L CB 0.785 42.742 42.059 -0.170 0.000 1.168 119 L HN -0.027 nan 8.230 nan 0.000 0.434 120 D N 3.145 123.673 120.400 0.214 0.000 2.455 120 D HA 0.093 4.733 4.640 -0.000 0.000 0.234 120 D C 0.754 177.161 176.300 0.178 0.000 1.224 120 D CA -0.124 53.973 54.000 0.162 0.000 0.999 120 D CB 0.980 41.850 40.800 0.116 0.000 1.072 120 D HN 0.409 nan 8.370 nan 0.000 0.514 121 L N 2.832 124.118 121.223 0.104 0.000 2.291 121 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 121 L C 1.541 178.455 176.870 0.074 0.000 1.120 121 L CA 1.068 55.956 54.840 0.080 0.000 0.799 121 L CB -0.467 41.614 42.059 0.037 0.000 0.925 121 L HN 0.255 nan 8.230 nan 0.000 0.446 122 D N -0.844 119.599 120.400 0.072 0.000 2.084 122 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 122 D C 2.338 178.662 176.300 0.040 0.000 0.990 122 D CA 0.961 54.998 54.000 0.061 0.000 0.826 122 D CB -0.100 40.735 40.800 0.059 0.000 0.971 122 D HN 0.126 nan 8.370 nan 0.000 0.453 123 R N 0.443 120.965 120.500 0.037 0.000 2.073 123 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 123 R C 2.119 178.423 176.300 0.006 0.000 1.134 123 R CA 1.405 57.505 56.100 0.001 0.000 0.952 123 R CB -0.312 29.965 30.300 -0.038 0.000 0.850 123 R HN 0.164 nan 8.270 nan 0.000 0.433 124 A N 0.693 123.550 122.820 0.060 0.000 1.917 124 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 124 A C 2.324 179.926 177.584 0.030 0.000 1.182 124 A CA 1.968 54.055 52.037 0.084 0.000 0.633 124 A CB -0.692 18.406 19.000 0.162 0.000 0.819 124 A HN 0.543 nan 8.150 nan 0.000 0.448 125 A N -0.059 122.770 122.820 0.016 0.000 1.873 125 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 125 A C 1.969 179.521 177.584 -0.053 0.000 1.186 125 A CA 2.076 54.097 52.037 -0.027 0.000 0.616 125 A CB -0.557 18.436 19.000 -0.011 0.000 0.823 125 A HN 0.660 nan 8.150 nan 0.000 0.442 126 E N 0.533 120.713 120.200 -0.034 0.000 2.049 126 E HA -0.277 4.073 4.350 -0.000 0.000 0.198 126 E C 2.150 178.730 176.600 -0.034 0.000 1.007 126 E CA 2.026 58.401 56.400 -0.041 0.000 0.809 126 E CB -0.389 29.296 29.700 -0.025 0.000 0.749 126 E HN 0.572 nan 8.360 nan 0.000 0.450 127 R N -0.513 119.975 120.500 -0.022 0.000 2.103 127 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 127 R C 1.974 178.279 176.300 0.009 0.000 1.142 127 R CA 1.680 57.773 56.100 -0.013 0.000 0.960 127 R CB -0.337 29.955 30.300 -0.014 0.000 0.858 127 R HN 0.313 nan 8.270 nan 0.000 0.439 128 L N 0.603 121.837 121.223 0.018 0.000 2.240 128 L HA 0.069 4.409 4.340 -0.000 0.000 0.211 128 L C 2.180 179.100 176.870 0.083 0.000 1.106 128 L CA 1.361 56.245 54.840 0.073 0.000 0.793 128 L CB -0.376 41.686 42.059 0.005 0.000 0.927 128 L HN 0.161 nan 8.230 nan 0.000 0.446 129 S N -0.418 115.271 115.700 -0.019 0.000 2.383 129 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 129 S C 2.054 176.645 174.600 -0.016 0.000 1.026 129 S CA 1.029 59.197 58.200 -0.053 0.000 0.981 129 S CB -0.596 62.525 63.200 -0.132 0.000 0.818 129 S HN 0.557 nan 8.310 nan 0.000 0.472 130 G N 2.279 111.069 108.800 -0.016 0.000 2.446 130 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 130 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 130 G C 1.247 176.135 174.900 -0.020 0.000 1.168 130 G CA 0.797 45.885 45.100 -0.020 0.000 0.771 130 G HN 0.320 nan 8.290 nan 0.000 0.551 131 L N 0.331 121.549 121.223 -0.008 0.000 2.005 131 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 131 L C 2.199 178.971 176.870 -0.163 0.000 1.072 131 L CA 1.468 56.252 54.840 -0.094 0.000 0.744 131 L CB -1.462 40.530 42.059 -0.111 0.000 0.895 131 L HN 0.323 nan 8.230 nan 0.000 0.433 132 H N -1.149 117.900 119.070 -0.035 0.000 2.524 132 H HA 0.429 4.985 4.556 -0.000 0.000 0.280 132 H C 0.771 176.095 175.328 -0.007 0.000 1.018 132 H CA 0.163 56.200 56.048 -0.020 0.000 1.165 132 H CB -0.143 29.604 29.762 -0.026 0.000 1.411 132 H HN 0.253 nan 8.280 nan 0.000 0.569 133 A N 1.558 124.408 122.820 0.049 0.000 2.332 133 A HA 0.267 4.587 4.320 -0.000 0.000 0.258 133 A C -1.019 176.584 177.584 0.030 0.000 1.087 133 A CA -1.046 51.006 52.037 0.026 0.000 0.802 133 A CB 0.286 19.282 19.000 -0.007 0.000 1.042 133 A HN 0.213 nan 8.150 nan 0.000 0.489 134 P HA 0.062 nan 4.420 nan 0.000 0.262 134 P C 0.672 178.010 177.300 0.064 0.000 1.304 134 P CA 0.537 63.658 63.100 0.035 0.000 0.859 134 P CB -0.004 31.712 31.700 0.026 0.000 1.310 135 H N 0.198 119.267 119.070 -0.002 0.000 2.470 135 H HA 0.121 4.677 4.556 -0.000 0.000 0.289 135 H C -0.413 174.914 175.328 -0.002 0.000 1.033 135 H CA 0.783 56.833 56.048 0.004 0.000 1.331 135 H CB 0.725 30.494 29.762 0.013 0.000 1.414 135 H HN -0.118 nan 8.280 nan 0.000 0.545 136 V N 3.054 122.955 119.914 -0.022 0.000 2.623 136 V HA 0.307 4.427 4.120 -0.000 0.000 0.304 136 V C -0.580 175.440 176.094 -0.124 0.000 1.054 136 V CA -0.952 61.289 62.300 -0.098 0.000 0.882 136 V CB 2.036 33.834 31.823 -0.042 0.000 1.002 136 V HN 0.182 nan 8.190 nan 0.000 0.424 137 R N 2.895 123.274 120.500 -0.203 0.000 2.265 137 R HA 0.607 4.947 4.340 -0.000 0.000 0.319 137 R C -0.629 175.383 176.300 -0.481 0.000 1.006 137 R CA -0.465 55.428 56.100 -0.345 0.000 0.880 137 R CB 2.129 32.191 30.300 -0.397 0.000 1.077 137 R HN 0.539 nan 8.270 nan 0.000 0.454 138 V N 4.712 124.341 119.914 -0.476 0.000 2.417 138 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 138 V C -1.214 174.595 176.094 -0.474 0.000 1.024 138 V CA -0.568 61.478 62.300 -0.423 0.000 0.861 138 V CB 0.800 32.478 31.823 -0.241 0.000 0.985 138 V HN 0.617 nan 8.190 nan 0.000 0.436 139 Y N 3.705 123.853 120.300 -0.252 0.000 2.568 139 Y HA 0.755 5.305 4.550 -0.000 0.000 0.327 139 Y C 0.661 176.594 175.900 0.054 0.000 1.163 139 Y CA -0.439 57.617 58.100 -0.072 0.000 1.219 139 Y CB 1.985 40.434 38.460 -0.019 0.000 1.308 139 Y HN 0.690 nan 8.280 nan 0.000 0.503 140 S N 0.971 116.864 115.700 0.321 0.000 2.547 140 S HA 0.702 5.172 4.470 -0.000 0.000 0.281 140 S C -1.768 173.025 174.600 0.322 0.000 1.118 140 S CA -0.505 57.833 58.200 0.231 0.000 0.947 140 S CB 0.415 63.688 63.200 0.123 0.000 1.053 140 S HN 0.596 nan 8.310 nan 0.000 0.482 141 Y N 0.158 120.552 120.300 0.157 0.000 2.597 141 Y HA 0.710 5.260 4.550 -0.000 0.000 0.340 141 Y C -0.372 175.569 175.900 0.069 0.000 1.097 141 Y CA -1.024 57.136 58.100 0.100 0.000 1.037 141 Y CB 1.038 39.547 38.460 0.082 0.000 1.305 141 Y HN 0.475 nan 8.280 nan 0.000 0.463 142 T N 0.798 115.461 114.554 0.182 0.000 2.832 142 T HA 0.498 4.848 4.350 -0.000 0.000 0.296 142 T C 0.656 175.444 174.700 0.147 0.000 0.968 142 T CA 0.329 62.478 62.100 0.082 0.000 1.107 142 T CB 0.263 69.178 68.868 0.078 0.000 0.916 142 T HN 1.108 nan 8.240 nan 0.000 0.517 143 G N 2.664 111.483 108.800 0.032 0.000 3.528 143 G HA2 0.238 4.198 3.960 -0.000 0.000 0.266 143 G HA3 0.238 4.198 3.960 -0.000 0.000 0.266 143 G C 0.491 175.410 174.900 0.031 0.000 1.004 143 G CA 0.112 45.249 45.100 0.060 0.000 0.853 143 G HN 0.907 nan 8.290 nan 0.000 0.501 144 S N -0.222 115.493 115.700 0.025 0.000 2.568 144 S HA 0.388 4.858 4.470 -0.000 0.000 0.282 144 S C 1.799 176.423 174.600 0.039 0.000 1.338 144 S CA 0.529 58.744 58.200 0.024 0.000 1.045 144 S CB 1.534 64.746 63.200 0.019 0.000 0.873 144 S HN 0.335 nan 8.310 nan 0.000 0.516 145 G N 1.833 110.657 108.800 0.041 0.000 2.462 145 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.220 145 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.220 145 G C 1.215 176.142 174.900 0.044 0.000 1.121 145 G CA 0.794 45.924 45.100 0.050 0.000 0.758 145 G HN 0.721 nan 8.290 nan 0.000 0.559 146 L N 0.670 121.914 121.223 0.036 0.000 2.046 146 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 146 L C 2.093 178.985 176.870 0.036 0.000 1.077 146 L CA 1.906 56.766 54.840 0.034 0.000 0.747 146 L CB -0.279 41.797 42.059 0.028 0.000 0.896 146 L HN 0.389 nan 8.230 nan 0.000 0.432 147 D N -3.964 116.458 120.400 0.036 0.000 2.469 147 D HA 0.067 4.707 4.640 -0.000 0.000 0.213 147 D C 0.271 176.588 176.300 0.029 0.000 1.135 147 D CA -0.031 53.988 54.000 0.032 0.000 0.834 147 D CB 0.517 41.334 40.800 0.028 0.000 1.009 147 D HN -0.058 nan 8.370 nan 0.000 0.507 148 T N -0.136 114.444 114.554 0.043 0.000 2.893 148 T HA 0.539 4.889 4.350 -0.000 0.000 0.293 148 T C -0.846 173.903 174.700 0.082 0.000 1.027 148 T CA -0.603 61.526 62.100 0.048 0.000 0.988 148 T CB 2.082 70.979 68.868 0.049 0.000 1.043 148 T HN -0.169 nan 8.240 nan 0.000 0.461 149 T N 3.617 118.231 114.554 0.100 0.000 2.772 149 T HA 0.483 4.833 4.350 -0.000 0.000 0.288 149 T C 0.425 175.277 174.700 0.253 0.000 0.994 149 T CA -0.533 61.669 62.100 0.171 0.000 0.951 149 T CB 0.133 69.103 68.868 0.170 0.000 0.933 149 T HN 0.721 nan 8.240 nan 0.000 0.447 150 F N 2.118 122.126 119.950 0.096 0.000 2.478 150 F HA -0.442 4.085 4.527 -0.000 0.000 0.218 150 F C 2.389 178.198 175.800 0.016 0.000 1.459 150 F CA 2.148 60.208 58.000 0.100 0.000 2.000 150 F CB -1.098 37.999 39.000 0.161 0.000 0.456 150 F HN 0.617 nan 8.300 nan 0.000 0.231 151 T N -0.518 113.837 114.554 -0.333 0.000 2.897 151 T HA -0.234 4.116 4.350 -0.000 0.000 0.271 151 T C 1.223 175.593 174.700 -0.550 0.000 1.084 151 T CA 1.722 63.383 62.100 -0.731 0.000 1.123 151 T CB -0.556 67.372 68.868 -1.566 0.000 0.865 151 T HN 0.674 nan 8.240 nan 0.000 0.496 152 Q N 0.745 120.412 119.800 -0.221 0.000 2.364 152 Q HA 0.027 4.367 4.340 -0.000 0.000 0.209 152 Q C 2.603 178.537 176.000 -0.110 0.000 0.977 152 Q CA 0.966 56.703 55.803 -0.111 0.000 0.885 152 Q CB -0.495 28.218 28.738 -0.042 0.000 0.941 152 Q HN 0.770 nan 8.270 nan 0.000 0.464 153 G N 1.081 109.797 108.800 -0.140 0.000 2.408 153 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 153 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 153 G C 1.178 175.889 174.900 -0.316 0.000 1.150 153 G CA 0.600 45.619 45.100 -0.136 0.000 0.776 153 G HN 0.369 nan 8.290 nan 0.000 0.542 154 E N 0.211 120.204 120.200 -0.345 0.000 2.077 154 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 154 E C 2.026 178.515 176.600 -0.185 0.000 0.989 154 E CA 1.188 57.417 56.400 -0.284 0.000 0.800 154 E CB -0.100 29.569 29.700 -0.051 0.000 0.746 154 E HN 0.306 nan 8.360 nan 0.000 0.452 155 D N -0.420 119.936 120.400 -0.072 0.000 2.097 155 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 155 D C 2.081 178.310 176.300 -0.118 0.000 0.989 155 D CA 2.337 56.325 54.000 -0.020 0.000 0.827 155 D CB -0.368 40.465 40.800 0.054 0.000 0.966 155 D HN 0.341 nan 8.370 nan 0.000 0.456 156 T N -1.602 112.859 114.554 -0.155 0.000 2.737 156 T HA -0.200 4.150 4.350 -0.000 0.000 0.265 156 T C 2.502 177.008 174.700 -0.323 0.000 1.038 156 T CA 1.460 63.487 62.100 -0.122 0.000 1.144 156 T CB -1.308 67.589 68.868 0.049 0.000 0.866 156 T HN 0.323 nan 8.240 nan 0.000 0.434 157 C N 1.683 120.443 119.300 -0.900 0.000 2.386 157 C HA -0.060 4.400 4.460 -0.000 0.000 0.279 157 C C 2.743 177.434 174.990 -0.498 0.000 1.208 157 C CA 1.146 59.428 59.018 -1.226 0.000 1.747 157 C CB -1.682 25.198 27.740 -1.435 0.000 2.046 157 C HN 0.671 nan 8.230 nan 0.000 0.453 158 L N 1.316 122.328 121.223 -0.351 0.000 2.042 158 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 158 L C 3.040 179.833 176.870 -0.129 0.000 1.076 158 L CA 1.841 56.565 54.840 -0.194 0.000 0.749 158 L CB -0.926 41.062 42.059 -0.118 0.000 0.893 158 L HN 0.527 nan 8.230 nan 0.000 0.432 159 A N 0.070 122.827 122.820 -0.105 0.000 1.972 159 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 159 A C 2.543 180.122 177.584 -0.009 0.000 1.169 159 A CA 1.614 53.623 52.037 -0.048 0.000 0.635 159 A CB -0.610 18.376 19.000 -0.024 0.000 0.810 159 A HN 0.408 nan 8.150 nan 0.000 0.446 160 A N -0.845 121.978 122.820 0.004 0.000 1.972 160 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 160 A C 2.196 179.843 177.584 0.104 0.000 1.169 160 A CA 1.677 53.778 52.037 0.106 0.000 0.635 160 A CB -0.452 18.680 19.000 0.220 0.000 0.810 160 A HN 0.525 nan 8.150 nan 0.000 0.446 161 M N -0.756 118.815 119.600 -0.048 0.000 2.319 161 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 161 M C 1.979 178.293 176.300 0.024 0.000 1.068 161 M CA 0.828 56.058 55.300 -0.117 0.000 1.118 161 M CB -0.180 32.283 32.600 -0.228 0.000 1.395 161 M HN 0.287 nan 8.290 nan 0.000 0.435 162 V N 0.893 120.807 119.914 0.000 0.000 2.255 162 V HA -0.196 3.923 4.120 -0.000 0.000 0.247 162 V C -0.687 175.425 176.094 0.029 0.000 1.051 162 V CA 1.936 64.232 62.300 -0.006 0.000 1.018 162 V CB -2.199 29.596 31.823 -0.047 0.000 0.641 162 V HN 0.299 nan 8.190 nan 0.000 0.445 163 P HA -0.135 nan 4.420 nan 0.000 0.221 163 P C 1.603 178.939 177.300 0.060 0.000 1.145 163 P CA 2.060 65.190 63.100 0.051 0.000 0.795 163 P CB -0.207 31.531 31.700 0.063 0.000 0.775 164 T N -5.049 109.563 114.554 0.098 0.000 3.040 164 T HA 0.173 4.523 4.350 -0.000 0.000 0.250 164 T C 0.633 175.385 174.700 0.087 0.000 1.058 164 T CA -0.168 61.993 62.100 0.101 0.000 0.988 164 T CB -0.710 68.259 68.868 0.168 0.000 0.993 164 T HN -0.103 nan 8.240 nan 0.000 0.519 165 L N 2.414 123.679 121.223 0.070 0.000 2.483 165 L HA 0.240 4.579 4.340 -0.000 0.000 0.275 165 L C 0.495 177.385 176.870 0.034 0.000 1.220 165 L CA -0.493 54.376 54.840 0.048 0.000 0.833 165 L CB 0.196 42.269 42.059 0.023 0.000 1.102 165 L HN 0.206 nan 8.230 nan 0.000 0.490 166 D N 0.677 121.094 120.400 0.030 0.000 2.390 166 D HA 0.011 4.651 4.640 -0.000 0.000 0.236 166 D C 0.073 176.384 176.300 0.018 0.000 1.189 166 D CA 0.373 54.387 54.000 0.023 0.000 0.887 166 D CB 0.674 41.487 40.800 0.022 0.000 1.198 166 D HN 0.410 nan 8.370 nan 0.000 0.444 167 T N 0.384 114.948 114.554 0.016 0.000 2.882 167 T HA 0.468 4.818 4.350 -0.000 0.000 0.287 167 T C -0.231 174.478 174.700 0.015 0.000 0.992 167 T CA -0.119 61.990 62.100 0.014 0.000 1.076 167 T CB 0.812 69.688 68.868 0.013 0.000 0.961 167 T HN 0.286 nan 8.240 nan 0.000 0.490 168 T N 1.656 116.219 114.554 0.016 0.000 2.932 168 T HA 0.341 4.691 4.350 -0.000 0.000 0.318 168 T C 0.150 174.860 174.700 0.017 0.000 1.265 168 T CA -0.664 61.447 62.100 0.017 0.000 1.036 168 T CB 1.445 70.325 68.868 0.020 0.000 1.209 168 T HN 0.731 nan 8.240 nan 0.000 0.484 169 E N 2.170 122.379 120.200 0.016 0.000 2.476 169 E HA 0.571 4.921 4.350 -0.000 0.000 0.196 169 E C 0.699 177.309 176.600 0.017 0.000 1.029 169 E CA -0.489 55.920 56.400 0.015 0.000 0.896 169 E CB 0.421 30.128 29.700 0.011 0.000 1.012 169 E HN 0.595 nan 8.360 nan 0.000 0.475 170 A N 1.359 124.192 122.820 0.022 0.000 2.425 170 A HA 0.502 4.822 4.320 -0.000 0.000 0.242 170 A C 0.446 178.049 177.584 0.032 0.000 1.077 170 A CA 0.132 52.185 52.037 0.027 0.000 0.781 170 A CB 0.339 19.357 19.000 0.031 0.000 1.020 170 A HN 0.420 nan 8.150 nan 0.000 0.494 171 A N 2.472 125.313 122.820 0.034 0.000 2.736 171 A HA 0.522 4.842 4.320 -0.000 0.000 0.335 171 A C 0.060 177.693 177.584 0.081 0.000 1.446 171 A CA -0.364 51.695 52.037 0.037 0.000 1.028 171 A CB -0.261 18.741 19.000 0.003 0.000 1.154 171 A HN 0.817 nan 8.150 nan 0.000 0.507 172 E N 1.043 121.298 120.200 0.092 0.000 2.244 172 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 172 E C -0.949 175.738 176.600 0.146 0.000 0.914 172 E CA -0.820 55.650 56.400 0.117 0.000 0.794 172 E CB 2.233 31.979 29.700 0.077 0.000 1.210 172 E HN 0.575 nan 8.360 nan 0.000 0.414 173 L N 3.076 124.389 121.223 0.150 0.000 2.326 173 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 173 L C -0.784 176.149 176.870 0.106 0.000 1.092 173 L CA -0.283 54.639 54.840 0.137 0.000 0.810 173 L CB 0.498 42.592 42.059 0.059 0.000 1.153 173 L HN 0.454 nan 8.230 nan 0.000 0.439 174 I N 4.795 125.448 120.570 0.137 0.000 2.389 174 I HA 0.259 4.429 4.170 -0.000 0.000 0.288 174 I C -0.434 175.781 176.117 0.163 0.000 0.999 174 I CA -0.771 60.605 61.300 0.128 0.000 1.129 174 I CB 1.950 40.016 38.000 0.109 0.000 1.288 174 I HN 0.197 nan 8.210 nan 0.000 0.444 175 V N 7.168 127.168 119.914 0.144 0.000 2.432 175 V HA 0.283 4.403 4.120 -0.000 0.000 0.275 175 V C 0.201 176.388 176.094 0.156 0.000 1.043 175 V CA -0.575 61.845 62.300 0.199 0.000 0.925 175 V CB 1.476 33.438 31.823 0.231 0.000 0.985 175 V HN 0.402 nan 8.190 nan 0.000 0.466 176 V N 3.564 123.590 119.914 0.186 0.000 2.435 176 V HA 0.956 5.076 4.120 -0.000 0.000 0.290 176 V C 0.523 176.668 176.094 0.085 0.000 1.030 176 V CA 0.106 62.483 62.300 0.128 0.000 0.881 176 V CB 0.960 32.881 31.823 0.164 0.000 0.983 176 V HN 1.305 nan 8.190 nan 0.000 0.445 177 G N 3.319 112.148 108.800 0.049 0.000 3.226 177 G HA2 0.392 4.352 3.960 -0.000 0.000 0.685 177 G HA3 0.392 4.352 3.960 -0.000 0.000 0.685 177 G C -0.296 174.618 174.900 0.024 0.000 1.207 177 G CA -0.481 44.642 45.100 0.038 0.000 0.877 177 G HN 1.507 nan 8.290 nan 0.000 0.585 178 A N 2.219 125.094 122.820 0.091 0.000 2.548 178 A HA 0.582 4.902 4.320 -0.000 0.000 0.247 178 A C 0.674 178.267 177.584 0.014 0.000 1.067 178 A CA 0.535 52.621 52.037 0.081 0.000 0.757 178 A CB 0.081 19.190 19.000 0.181 0.000 0.996 178 A HN 1.357 nan 8.150 nan 0.000 0.504 179 L N 3.605 124.798 121.223 -0.049 0.000 2.370 179 L HA 0.425 4.765 4.340 -0.000 0.000 0.266 179 L C -2.329 174.506 176.870 -0.059 0.000 1.002 179 L CA -2.391 52.381 54.840 -0.113 0.000 0.818 179 L CB 2.276 44.197 42.059 -0.230 0.000 1.325 179 L HN 0.404 nan 8.230 nan 0.000 0.418 180 P HA -0.073 nan 4.420 nan 0.000 0.264 180 P C -0.017 177.256 177.300 -0.045 0.000 1.173 180 P CA 0.190 63.279 63.100 -0.018 0.000 0.761 180 P CB 0.532 32.233 31.700 0.001 0.000 0.794 181 D N 1.588 121.970 120.400 -0.030 0.000 2.182 181 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 181 D C 1.775 178.042 176.300 -0.055 0.000 0.986 181 D CA 1.202 55.178 54.000 -0.040 0.000 0.847 181 D CB 0.080 40.867 40.800 -0.021 0.000 0.942 181 D HN 0.099 nan 8.370 nan 0.000 0.467 182 V N 0.991 120.878 119.914 -0.045 0.000 2.295 182 V HA -0.210 3.909 4.120 -0.000 0.000 0.246 182 V C 2.702 178.739 176.094 -0.095 0.000 1.049 182 V CA 1.043 63.313 62.300 -0.051 0.000 1.024 182 V CB -0.350 31.459 31.823 -0.024 0.000 0.648 182 V HN 0.043 nan 8.190 nan 0.000 0.447 183 V N -0.132 119.715 119.914 -0.112 0.000 2.295 183 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 183 V C 2.422 178.312 176.094 -0.341 0.000 1.049 183 V CA 2.357 64.531 62.300 -0.210 0.000 1.024 183 V CB -0.691 31.040 31.823 -0.154 0.000 0.648 183 V HN 0.681 nan 8.190 nan 0.000 0.447 184 E N 0.333 120.386 120.200 -0.246 0.000 2.065 184 E HA -0.340 4.010 4.350 -0.000 0.000 0.201 184 E C 1.874 178.340 176.600 -0.222 0.000 1.016 184 E CA 2.152 58.413 56.400 -0.231 0.000 0.818 184 E CB -0.169 29.452 29.700 -0.131 0.000 0.749 184 E HN 0.642 nan 8.360 nan 0.000 0.453 185 D N 0.085 120.388 120.400 -0.161 0.000 2.123 185 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 185 D C 2.088 178.297 176.300 -0.151 0.000 0.992 185 D CA 1.168 55.093 54.000 -0.124 0.000 0.833 185 D CB -0.324 40.427 40.800 -0.081 0.000 0.954 185 D HN 0.370 nan 8.370 nan 0.000 0.455 186 Q N -0.237 119.439 119.800 -0.207 0.000 2.046 186 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 186 Q C 2.427 178.248 176.000 -0.297 0.000 0.975 186 Q CA 1.132 56.810 55.803 -0.208 0.000 0.836 186 Q CB -0.387 28.223 28.738 -0.213 0.000 0.896 186 Q HN 0.359 nan 8.270 nan 0.000 0.428 187 C N 0.627 119.576 119.300 -0.586 0.000 2.388 187 C HA -0.191 4.269 4.460 -0.000 0.000 0.277 187 C C 2.523 177.414 174.990 -0.165 0.000 1.210 187 C CA 0.837 59.508 59.018 -0.578 0.000 1.743 187 C CB -1.023 26.262 27.740 -0.759 0.000 2.047 187 C HN 0.476 nan 8.230 nan 0.000 0.458 188 L N 1.154 122.290 121.223 -0.144 0.000 2.013 188 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 188 L C 2.997 179.841 176.870 -0.043 0.000 1.073 188 L CA 2.544 57.344 54.840 -0.066 0.000 0.753 188 L CB -1.036 40.985 42.059 -0.064 0.000 0.890 188 L HN 0.559 nan 8.230 nan 0.000 0.432 189 S N -1.127 114.541 115.700 -0.052 0.000 2.356 189 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 189 S C 2.089 176.688 174.600 -0.002 0.000 1.032 189 S CA 1.248 59.432 58.200 -0.027 0.000 1.005 189 S CB -0.310 62.873 63.200 -0.029 0.000 0.867 189 S HN 0.344 nan 8.310 nan 0.000 0.449 190 L N 0.954 122.187 121.223 0.017 0.000 2.042 190 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 190 L C 2.475 179.383 176.870 0.063 0.000 1.076 190 L CA 1.335 56.215 54.840 0.068 0.000 0.749 190 L CB -0.512 41.640 42.059 0.155 0.000 0.893 190 L HN 0.359 nan 8.230 nan 0.000 0.432 191 L N -1.298 119.959 121.223 0.056 0.000 2.056 191 L HA -0.165 4.174 4.340 -0.000 0.000 0.207 191 L C 2.596 179.453 176.870 -0.023 0.000 1.078 191 L CA 1.379 56.232 54.840 0.021 0.000 0.749 191 L CB -0.819 41.247 42.059 0.012 0.000 0.901 191 L HN 0.253 nan 8.230 nan 0.000 0.433 192 T N -0.521 114.022 114.554 -0.019 0.000 2.708 192 T HA -0.252 4.098 4.350 -0.000 0.000 0.266 192 T C 1.751 176.442 174.700 -0.014 0.000 1.037 192 T CA 1.675 63.761 62.100 -0.023 0.000 1.146 192 T CB -0.255 68.603 68.868 -0.018 0.000 0.865 192 T HN 0.500 nan 8.240 nan 0.000 0.435 193 Q N 0.711 120.508 119.800 -0.005 0.000 2.472 193 Q HA 0.136 4.476 4.340 -0.000 0.000 0.208 193 Q C 1.902 177.904 176.000 0.003 0.000 0.958 193 Q CA 0.615 56.417 55.803 -0.002 0.000 0.932 193 Q CB -0.396 28.340 28.738 -0.004 0.000 1.007 193 Q HN 0.442 nan 8.270 nan 0.000 0.508 194 L N 0.181 121.409 121.223 0.009 0.000 2.554 194 L HA 0.172 4.511 4.340 -0.000 0.000 0.226 194 L C 1.003 177.885 176.870 0.020 0.000 1.137 194 L CA 0.689 55.546 54.840 0.028 0.000 0.863 194 L CB -0.007 42.087 42.059 0.058 0.000 0.985 194 L HN 0.628 nan 8.230 nan 0.000 0.451 195 G N -0.057 108.741 108.800 -0.004 0.000 2.141 195 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.231 195 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.231 195 G C 0.073 174.948 174.900 -0.042 0.000 0.984 195 G CA 0.012 45.110 45.100 -0.003 0.000 0.660 195 G HN 0.093 nan 8.290 nan 0.000 0.525 196 V N 0.579 120.420 119.914 -0.122 0.000 2.383 196 V HA 0.850 4.970 4.120 -0.000 0.000 0.275 196 V C 0.807 176.771 176.094 -0.216 0.000 1.036 196 V CA 0.452 62.563 62.300 -0.316 0.000 0.889 196 V CB 1.068 32.573 31.823 -0.529 0.000 0.985 196 V HN 1.297 nan 8.190 nan 0.000 0.459 197 G N 5.024 113.728 108.800 -0.159 0.000 2.506 197 G HA2 0.661 4.621 3.960 -0.000 0.000 0.292 197 G HA3 0.661 4.621 3.960 -0.000 0.000 0.292 197 G C -3.370 171.546 174.900 0.027 0.000 1.425 197 G CA -0.860 44.207 45.100 -0.054 0.000 0.788 197 G HN 0.530 nan 8.290 nan 0.000 0.490 198 P HA 0.480 nan 4.420 nan 0.000 0.274 198 P C -0.516 176.789 177.300 0.008 0.000 1.237 198 P CA -0.556 62.552 63.100 0.013 0.000 0.793 198 P CB 1.606 33.320 31.700 0.024 0.000 0.977 199 V N 2.177 122.089 119.914 -0.004 0.000 2.540 199 V HA 0.658 4.778 4.120 -0.000 0.000 0.302 199 V C -1.036 175.067 176.094 0.016 0.000 1.035 199 V CA -0.738 61.564 62.300 0.002 0.000 0.873 199 V CB 1.629 33.438 31.823 -0.023 0.000 0.992 199 V HN 0.371 nan 8.190 nan 0.000 0.428 200 R N 5.103 125.623 120.500 0.032 0.000 2.740 200 R HA 0.654 4.994 4.340 -0.000 0.000 0.282 200 R C -0.955 175.368 176.300 0.039 0.000 0.969 200 R CA -0.950 55.168 56.100 0.030 0.000 0.918 200 R CB 1.839 32.159 30.300 0.033 0.000 1.175 200 R HN 0.756 nan 8.270 nan 0.000 0.464 201 M N 1.558 121.174 119.600 0.027 0.000 2.367 201 M HA 0.403 4.883 4.480 -0.000 0.000 0.339 201 M C -0.873 175.442 176.300 0.025 0.000 1.177 201 M CA -0.822 54.494 55.300 0.027 0.000 1.068 201 M CB 1.151 33.756 32.600 0.008 0.000 1.602 201 M HN 0.412 nan 8.290 nan 0.000 0.457 202 L N 6.491 127.730 121.223 0.027 0.000 2.372 202 L HA 0.714 5.054 4.340 -0.000 0.000 0.273 202 L C -2.599 174.279 176.870 0.013 0.000 0.989 202 L CA -1.412 53.436 54.840 0.013 0.000 0.841 202 L CB 1.527 43.587 42.059 0.001 0.000 1.225 202 L HN 0.448 nan 8.230 nan 0.000 0.414 203 P HA 0.423 nan 4.420 nan 0.000 0.278 203 P C -1.151 176.161 177.300 0.020 0.000 1.266 203 P CA -0.563 62.543 63.100 0.009 0.000 0.807 203 P CB 1.271 32.976 31.700 0.008 0.000 1.094 204 A N 1.489 124.325 122.820 0.027 0.000 2.279 204 A HA 0.323 4.643 4.320 -0.000 0.000 0.303 204 A C 1.483 179.088 177.584 0.036 0.000 1.108 204 A CA -0.626 51.427 52.037 0.027 0.000 0.830 204 A CB 0.273 19.290 19.000 0.028 0.000 1.106 204 A HN 0.456 nan 8.150 nan 0.000 0.493 205 R N -0.378 120.140 120.500 0.029 0.000 2.127 205 R HA -0.070 4.270 4.340 -0.000 0.000 0.238 205 R C 0.378 176.708 176.300 0.049 0.000 1.134 205 R CA 1.236 57.356 56.100 0.034 0.000 0.975 205 R CB -0.049 30.265 30.300 0.023 0.000 0.865 205 R HN 0.613 nan 8.270 nan 0.000 0.447 206 R N -1.053 119.475 120.500 0.047 0.000 2.744 206 R HA 0.102 4.442 4.340 -0.000 0.000 0.279 206 R C 0.925 177.257 176.300 0.052 0.000 0.977 206 R CA -0.076 56.055 56.100 0.052 0.000 0.906 206 R CB 1.802 32.127 30.300 0.041 0.000 1.197 206 R HN 0.022 nan 8.270 nan 0.000 0.463 207 S N 0.490 116.224 115.700 0.056 0.000 2.400 207 S HA -0.185 4.285 4.470 -0.000 0.000 0.232 207 S C 1.232 175.856 174.600 0.040 0.000 1.025 207 S CA 1.874 60.107 58.200 0.055 0.000 0.993 207 S CB -0.136 63.089 63.200 0.042 0.000 0.808 207 S HN 0.784 nan 8.310 nan 0.000 0.478 208 D N 2.309 122.726 120.400 0.029 0.000 2.347 208 D HA -0.051 4.589 4.640 -0.000 0.000 0.215 208 D C 1.408 177.724 176.300 0.026 0.000 0.976 208 D CA 0.577 54.591 54.000 0.024 0.000 0.884 208 D CB -0.608 40.203 40.800 0.018 0.000 0.915 208 D HN 0.803 nan 8.370 nan 0.000 0.526 209 I N -2.137 118.450 120.570 0.029 0.000 3.736 209 I HA 0.305 4.475 4.170 -0.000 0.000 0.338 209 I C -0.341 175.793 176.117 0.028 0.000 1.558 209 I CA -0.795 60.521 61.300 0.026 0.000 1.147 209 I CB 0.072 38.086 38.000 0.023 0.000 1.275 209 I HN -0.357 nan 8.210 nan 0.000 0.454 210 E N 3.752 123.971 120.200 0.032 0.000 2.383 210 E HA 0.278 4.628 4.350 -0.000 0.000 0.264 210 E C -2.034 174.581 176.600 0.026 0.000 1.050 210 E CA -1.465 54.953 56.400 0.030 0.000 0.896 210 E CB 0.208 29.930 29.700 0.037 0.000 0.982 210 E HN 0.256 nan 8.360 nan 0.000 0.424 211 P HA 0.140 nan 4.420 nan 0.000 0.272 211 P C -0.974 176.337 177.300 0.018 0.000 1.230 211 P CA -0.247 62.866 63.100 0.021 0.000 0.788 211 P CB 0.651 32.362 31.700 0.020 0.000 0.949 212 A N 1.304 124.136 122.820 0.020 0.000 2.311 212 A HA 0.662 4.982 4.320 -0.000 0.000 0.334 212 A C -0.297 177.296 177.584 0.014 0.000 1.139 212 A CA -0.579 51.468 52.037 0.017 0.000 0.830 212 A CB 0.965 19.977 19.000 0.020 0.000 1.234 212 A HN 0.347 nan 8.150 nan 0.000 0.483 213 V N -0.724 119.195 119.914 0.008 0.000 2.960 213 V HA 0.998 5.118 4.120 -0.000 0.000 0.315 213 V C 0.468 176.570 176.094 0.012 0.000 1.087 213 V CA -0.030 62.273 62.300 0.004 0.000 0.982 213 V CB 1.268 33.080 31.823 -0.019 0.000 1.039 213 V HN 1.745 nan 8.190 nan 0.000 0.437 214 G N 0.556 109.367 108.800 0.018 0.000 2.441 214 G HA2 0.535 4.495 3.960 -0.000 0.000 0.294 214 G HA3 0.535 4.495 3.960 -0.000 0.000 0.294 214 G C -2.759 172.157 174.900 0.027 0.000 1.393 214 G CA -0.223 44.889 45.100 0.020 0.000 0.796 214 G HN 0.430 nan 8.290 nan 0.000 0.494 215 P HA -0.130 nan 4.420 nan 0.000 0.219 215 P C 0.812 178.127 177.300 0.024 0.000 1.144 215 P CA 1.283 64.398 63.100 0.024 0.000 0.806 215 P CB 0.056 31.765 31.700 0.016 0.000 0.771 216 N N -1.743 116.970 118.700 0.022 0.000 2.280 216 N HA 0.028 4.768 4.740 -0.000 0.000 0.192 216 N C 0.056 175.582 175.510 0.028 0.000 1.109 216 N CA 0.007 53.066 53.050 0.015 0.000 0.855 216 N CB -0.056 38.436 38.487 0.008 0.000 0.974 216 N HN 0.068 nan 8.380 nan 0.000 0.482 217 T N 1.211 115.796 114.554 0.052 0.000 2.898 217 T HA 0.237 4.587 4.350 -0.000 0.000 0.301 217 T C 0.298 175.069 174.700 0.118 0.000 1.049 217 T CA -0.086 62.063 62.100 0.083 0.000 1.095 217 T CB 0.937 69.856 68.868 0.085 0.000 0.976 217 T HN -0.000 nan 8.240 nan 0.000 0.539 218 R N 1.256 121.840 120.500 0.140 0.000 2.670 218 R HA 0.602 4.942 4.340 -0.000 0.000 0.289 218 R C -0.998 175.448 176.300 0.243 0.000 0.965 218 R CA -0.773 55.411 56.100 0.141 0.000 0.899 218 R CB 1.641 31.975 30.300 0.057 0.000 1.173 218 R HN 0.739 nan 8.270 nan 0.000 0.456 219 F N 0.028 119.975 119.950 -0.004 0.000 2.588 219 F HA 0.768 5.295 4.527 -0.000 0.000 0.314 219 F C -0.882 174.892 175.800 -0.043 0.000 1.069 219 F CA -1.494 56.502 58.000 -0.006 0.000 0.931 219 F CB 1.420 40.426 39.000 0.009 0.000 1.260 219 F HN 0.423 nan 8.300 nan 0.000 0.465 220 I N 3.443 124.035 120.570 0.036 0.000 2.569 220 I HA 0.502 4.672 4.170 -0.000 0.000 0.290 220 I C -1.620 174.595 176.117 0.163 0.000 1.088 220 I CA -0.959 60.278 61.300 -0.105 0.000 1.047 220 I CB 1.808 39.592 38.000 -0.360 0.000 1.237 220 I HN 0.724 nan 8.210 nan 0.000 0.421 221 L N 7.372 128.691 121.223 0.160 0.000 2.349 221 L HA 0.504 4.844 4.340 -0.000 0.000 0.275 221 L C 1.121 178.268 176.870 0.461 0.000 1.115 221 L CA -0.173 54.853 54.840 0.310 0.000 0.820 221 L CB 1.362 43.634 42.059 0.355 0.000 1.135 221 L HN 0.787 nan 8.230 nan 0.000 0.445 222 A N 2.415 125.427 122.820 0.320 0.000 2.095 222 A HA 0.132 4.452 4.320 -0.000 0.000 0.212 222 A C 0.735 178.359 177.584 0.067 0.000 1.162 222 A CA 0.481 52.575 52.037 0.096 0.000 0.753 222 A CB 0.249 19.171 19.000 -0.130 0.000 0.840 222 A HN 0.712 nan 8.150 nan 0.000 0.468 223 Q N -0.676 119.111 119.800 -0.021 0.000 2.340 223 Q HA 0.277 4.617 4.340 -0.000 0.000 0.268 223 Q C -2.261 173.245 176.000 -0.824 0.000 1.031 223 Q CA -2.115 53.349 55.803 -0.563 0.000 0.804 223 Q CB 2.259 30.400 28.738 -0.995 0.000 1.286 223 Q HN 0.113 nan 8.270 nan 0.000 0.448 224 P HA -0.129 nan 4.420 nan 0.000 0.219 224 P C 0.678 177.780 177.300 -0.329 0.000 1.146 224 P CA 1.278 63.773 63.100 -1.009 0.000 0.808 224 P CB -0.104 31.133 31.700 -0.771 0.000 0.779 225 F N -2.125 117.779 119.950 -0.077 0.000 2.676 225 F HA 0.318 4.845 4.527 -0.000 0.000 0.300 225 F C 0.924 176.746 175.800 0.038 0.000 1.160 225 F CA -0.406 57.608 58.000 0.023 0.000 1.401 225 F CB -1.061 37.941 39.000 0.003 0.000 1.037 225 F HN -0.294 nan 8.300 nan 0.000 0.522 226 L N 1.220 122.514 121.223 0.118 0.000 3.073 226 L HA 0.400 4.740 4.340 -0.000 0.000 0.242 226 L C 1.897 178.815 176.870 0.081 0.000 1.317 226 L CA -0.293 54.621 54.840 0.124 0.000 1.081 226 L CB 0.039 42.148 42.059 0.083 0.000 1.456 226 L HN 0.433 nan 8.230 nan 0.000 0.525 227 G N -0.049 108.806 108.800 0.091 0.000 2.421 227 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 227 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 227 G C 1.371 176.335 174.900 0.107 0.000 1.171 227 G CA 0.416 45.567 45.100 0.084 0.000 0.775 227 G HN 0.406 nan 8.290 nan 0.000 0.543 228 E N 0.400 120.643 120.200 0.072 0.000 2.106 228 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 228 E C 2.772 179.390 176.600 0.031 0.000 0.984 228 E CA 1.500 57.930 56.400 0.051 0.000 0.806 228 E CB -0.593 29.117 29.700 0.017 0.000 0.750 228 E HN 0.391 nan 8.360 nan 0.000 0.458 229 T N 1.254 115.817 114.554 0.016 0.000 2.674 229 T HA -0.138 4.211 4.350 -0.000 0.000 0.265 229 T C 2.066 176.725 174.700 -0.067 0.000 1.039 229 T CA 1.893 63.974 62.100 -0.031 0.000 1.150 229 T CB -0.702 68.150 68.868 -0.027 0.000 0.864 229 T HN 0.149 nan 8.240 nan 0.000 0.427 230 T N 1.508 116.078 114.554 0.027 0.000 2.594 230 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 230 T C 2.212 176.969 174.700 0.094 0.000 1.070 230 T CA 1.827 64.016 62.100 0.147 0.000 1.166 230 T CB -1.218 67.787 68.868 0.228 0.000 0.862 230 T HN 0.569 nan 8.240 nan 0.000 0.436 231 G N 0.935 109.794 108.800 0.099 0.000 2.476 231 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 231 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 231 G C 1.830 176.752 174.900 0.037 0.000 1.164 231 G CA 1.193 46.349 45.100 0.093 0.000 0.768 231 G HN 0.663 nan 8.290 nan 0.000 0.560 232 A N 0.144 122.961 122.820 -0.005 0.000 1.930 232 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 232 A C 2.437 179.975 177.584 -0.076 0.000 1.175 232 A CA 1.263 53.283 52.037 -0.028 0.000 0.627 232 A CB -0.293 18.687 19.000 -0.033 0.000 0.815 232 A HN 0.362 nan 8.150 nan 0.000 0.443 233 L N -1.134 119.983 121.223 -0.177 0.000 2.131 233 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 233 L C 2.497 179.285 176.870 -0.138 0.000 1.087 233 L CA 1.292 55.955 54.840 -0.295 0.000 0.767 233 L CB -0.417 41.158 42.059 -0.807 0.000 0.917 233 L HN 0.386 nan 8.230 nan 0.000 0.441 234 E N -0.039 120.147 120.200 -0.023 0.000 2.077 234 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 234 E C 2.293 178.926 176.600 0.055 0.000 0.989 234 E CA 0.983 57.443 56.400 0.100 0.000 0.800 234 E CB -0.018 29.779 29.700 0.162 0.000 0.746 234 E HN 0.244 nan 8.360 nan 0.000 0.452 235 R N 0.192 120.711 120.500 0.033 0.000 2.200 235 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 235 R C 1.849 178.159 176.300 0.017 0.000 1.127 235 R CA 0.819 56.935 56.100 0.028 0.000 0.989 235 R CB 0.162 30.476 30.300 0.025 0.000 0.869 235 R HN -0.024 nan 8.270 nan 0.000 0.459 236 R N -1.502 118.999 120.500 0.002 0.000 2.246 236 R HA 0.093 4.433 4.340 -0.000 0.000 0.199 236 R C 1.069 177.376 176.300 0.013 0.000 0.984 236 R CA 0.965 57.065 56.100 0.000 0.000 1.015 236 R CB 0.894 31.181 30.300 -0.021 0.000 0.930 236 R HN 0.458 nan 8.270 nan 0.000 0.475 237 G N -0.449 108.367 108.800 0.027 0.000 2.183 237 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.168 237 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.168 237 G C 0.036 174.977 174.900 0.067 0.000 1.008 237 G CA -0.061 45.064 45.100 0.042 0.000 0.677 237 G HN 0.484 nan 8.290 nan 0.000 0.498 238 A N -0.013 122.862 122.820 0.092 0.000 2.327 238 A HA 0.795 5.115 4.320 -0.000 0.000 0.283 238 A C 0.144 177.922 177.584 0.324 0.000 1.127 238 A CA 0.036 52.185 52.037 0.187 0.000 0.810 238 A CB 0.745 19.837 19.000 0.153 0.000 1.066 238 A HN 0.240 nan 8.150 nan 0.000 0.492 239 K N 1.075 121.618 120.400 0.239 0.000 2.185 239 K HA 0.406 4.726 4.320 -0.000 0.000 0.269 239 K C 0.234 176.736 176.600 -0.164 0.000 0.987 239 K CA -0.277 56.066 56.287 0.093 0.000 0.865 239 K CB 1.290 33.790 32.500 -0.001 0.000 1.090 239 K HN 0.748 nan 8.250 nan 0.000 0.450 240 R N 2.280 122.470 120.500 -0.518 0.000 2.637 240 R HA 0.395 4.735 4.340 -0.000 0.000 0.269 240 R C -0.470 175.503 176.300 -0.544 0.000 1.089 240 R CA -0.350 55.100 56.100 -1.082 0.000 1.177 240 R CB 0.543 30.249 30.300 -0.990 0.000 1.091 240 R HN 0.556 nan 8.270 nan 0.000 0.540 241 I N 2.626 122.883 120.570 -0.522 0.000 2.382 241 I HA 0.271 4.441 4.170 -0.000 0.000 0.285 241 I C -0.013 175.886 176.117 -0.364 0.000 1.007 241 I CA -0.646 60.437 61.300 -0.362 0.000 1.142 241 I CB 1.783 39.586 38.000 -0.328 0.000 1.289 241 I HN 0.635 nan 8.210 nan 0.000 0.453 242 A N 5.485 128.134 122.820 -0.284 0.000 2.425 242 A HA 0.806 5.126 4.320 -0.000 0.000 0.249 242 A C 0.067 177.479 177.584 -0.286 0.000 1.084 242 A CA 0.023 51.911 52.037 -0.250 0.000 0.781 242 A CB 0.419 19.320 19.000 -0.165 0.000 1.019 242 A HN 0.902 nan 8.150 nan 0.000 0.490 243 A N 3.443 126.073 122.820 -0.317 0.000 2.594 243 A HA 0.755 5.075 4.320 -0.000 0.000 0.296 243 A C -3.198 174.197 177.584 -0.314 0.000 1.061 243 A CA -1.222 50.625 52.037 -0.317 0.000 0.689 243 A CB 0.758 19.477 19.000 -0.468 0.000 1.280 243 A HN 0.567 nan 8.150 nan 0.000 0.406 244 P HA 0.519 nan 4.420 nan 0.000 0.275 244 P C -0.750 176.454 177.300 -0.161 0.000 1.266 244 P CA -0.134 62.911 63.100 -0.093 0.000 0.793 244 P CB 0.218 31.928 31.700 0.016 0.000 1.074 245 F N 0.412 120.397 119.950 0.057 0.000 2.394 245 F HA 0.283 4.810 4.527 -0.000 0.000 0.340 245 F C -1.346 174.203 175.800 -0.419 0.000 1.105 245 F CA -1.967 55.967 58.000 -0.109 0.000 1.124 245 F CB 0.693 39.668 39.000 -0.042 0.000 1.145 245 F HN 0.197 nan 8.300 nan 0.000 0.505 246 P HA 0.030 nan 4.420 nan 0.000 0.232 246 P C -0.963 175.756 177.300 -0.967 0.000 1.738 246 P CA 0.391 62.901 63.100 -0.984 0.000 0.948 246 P CB -0.850 29.745 31.700 -1.841 0.000 1.943 247 F N 0.918 120.655 119.950 -0.355 0.000 2.421 247 F HA 0.628 5.155 4.527 -0.000 0.000 0.337 247 F C 1.491 177.017 175.800 -0.458 0.000 1.105 247 F CA 0.013 57.732 58.000 -0.467 0.000 1.049 247 F CB 1.422 40.155 39.000 -0.444 0.000 1.139 247 F HN 0.287 nan 8.300 nan 0.000 0.479 248 G N 2.207 110.740 108.800 -0.444 0.000 2.829 248 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.628 248 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.628 248 G C 0.529 175.419 174.900 -0.017 0.000 1.412 248 G CA -0.083 44.864 45.100 -0.255 0.000 0.864 248 G HN 0.717 nan 8.290 nan 0.000 0.544 249 E N 0.081 120.384 120.200 0.171 0.000 2.072 249 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 249 E C 2.107 178.832 176.600 0.209 0.000 0.985 249 E CA 2.021 58.581 56.400 0.267 0.000 0.801 249 E CB -0.157 29.694 29.700 0.252 0.000 0.750 249 E HN 0.723 nan 8.360 nan 0.000 0.452 250 E N -0.369 119.927 120.200 0.159 0.000 2.031 250 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 250 E C 2.076 178.717 176.600 0.068 0.000 0.994 250 E CA 1.456 57.924 56.400 0.113 0.000 0.800 250 E CB -0.516 29.240 29.700 0.094 0.000 0.752 250 E HN 0.311 nan 8.360 nan 0.000 0.447 251 G N -0.343 108.480 108.800 0.037 0.000 2.421 251 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 251 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 251 G C 1.651 176.467 174.900 -0.141 0.000 1.171 251 G CA 1.344 46.428 45.100 -0.027 0.000 0.775 251 G HN 0.305 nan 8.290 nan 0.000 0.543 252 T N 0.896 115.270 114.554 -0.299 0.000 2.708 252 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 252 T C 2.623 177.195 174.700 -0.214 0.000 1.037 252 T CA 1.776 63.527 62.100 -0.581 0.000 1.146 252 T CB -0.552 67.686 68.868 -1.051 0.000 0.865 252 T HN 0.279 nan 8.240 nan 0.000 0.435 253 T N 2.398 116.975 114.554 0.038 0.000 2.622 253 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 253 T C 1.897 176.745 174.700 0.247 0.000 1.047 253 T CA 0.937 63.216 62.100 0.299 0.000 1.159 253 T CB -0.482 68.586 68.868 0.334 0.000 0.863 253 T HN 0.052 nan 8.240 nan 0.000 0.422 254 L N -0.432 120.861 121.223 0.117 0.000 2.042 254 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 254 L C 2.051 178.933 176.870 0.019 0.000 1.076 254 L CA 1.352 56.215 54.840 0.038 0.000 0.749 254 L CB -1.190 40.873 42.059 0.008 0.000 0.893 254 L HN 0.427 nan 8.230 nan 0.000 0.432 255 W N 0.122 121.320 121.300 -0.169 0.000 2.315 255 W HA -0.269 4.391 4.660 -0.000 0.000 0.323 255 W C 2.521 178.968 176.519 -0.119 0.000 1.233 255 W CA 1.931 59.142 57.345 -0.223 0.000 1.267 255 W CB -0.393 28.849 29.460 -0.362 0.000 1.160 255 W HN 0.038 nan 8.180 nan 0.000 0.474 256 L N 0.387 121.768 121.223 0.263 0.000 2.083 256 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 256 L C 2.467 179.436 176.870 0.165 0.000 1.083 256 L CA 1.757 56.765 54.840 0.280 0.000 0.752 256 L CB -1.001 41.334 42.059 0.461 0.000 0.899 256 L HN -0.039 nan 8.230 nan 0.000 0.433 257 K N 0.644 121.070 120.400 0.044 0.000 2.032 257 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 257 K C 2.035 178.470 176.600 -0.276 0.000 1.048 257 K CA 1.679 57.742 56.287 -0.374 0.000 0.927 257 K CB -0.422 31.854 32.500 -0.373 0.000 0.712 257 K HN 0.239 nan 8.250 nan 0.000 0.441 258 A N -0.030 122.650 122.820 -0.232 0.000 1.908 258 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 258 A C 2.304 179.753 177.584 -0.225 0.000 1.181 258 A CA 2.115 54.001 52.037 -0.251 0.000 0.627 258 A CB -0.806 18.001 19.000 -0.321 0.000 0.818 258 A HN 0.142 nan 8.150 nan 0.000 0.445 259 V N -0.383 119.383 119.914 -0.247 0.000 2.323 259 V HA -0.156 3.964 4.120 -0.000 0.000 0.244 259 V C 3.037 179.136 176.094 0.009 0.000 1.041 259 V CA 1.714 63.920 62.300 -0.156 0.000 1.025 259 V CB -1.435 30.221 31.823 -0.279 0.000 0.656 259 V HN 0.601 nan 8.190 nan 0.000 0.451 260 A N 0.147 122.962 122.820 -0.008 0.000 1.948 260 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 260 A C 1.975 179.573 177.584 0.023 0.000 1.177 260 A CA 2.274 54.340 52.037 0.049 0.000 0.636 260 A CB -0.695 18.362 19.000 0.094 0.000 0.815 260 A HN 0.550 nan 8.150 nan 0.000 0.449 261 D N 0.075 120.431 120.400 -0.072 0.000 2.078 261 D HA -0.053 4.587 4.640 -0.000 0.000 0.193 261 D C 1.961 178.232 176.300 -0.048 0.000 0.990 261 D CA 1.752 55.700 54.000 -0.085 0.000 0.827 261 D CB -0.534 40.184 40.800 -0.137 0.000 0.975 261 D HN 0.408 nan 8.370 nan 0.000 0.451 262 A N -1.012 121.781 122.820 -0.044 0.000 2.250 262 A HA -0.067 4.253 4.320 -0.000 0.000 0.208 262 A C 0.562 178.046 177.584 -0.167 0.000 1.254 262 A CA 0.486 52.463 52.037 -0.099 0.000 0.858 262 A CB -0.682 18.245 19.000 -0.123 0.000 0.820 262 A HN 0.300 nan 8.150 nan 0.000 0.484 263 Y N -2.135 118.123 120.300 -0.071 0.000 2.672 263 Y HA 0.350 4.900 4.550 -0.000 0.000 0.252 263 Y C 1.615 177.497 175.900 -0.030 0.000 1.132 263 Y CA 0.103 58.176 58.100 -0.044 0.000 1.228 263 Y CB 0.785 39.224 38.460 -0.035 0.000 1.310 263 Y HN 0.430 nan 8.280 nan 0.000 0.549 264 G N 0.716 109.551 108.800 0.058 0.000 2.155 264 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 264 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 264 G C 0.041 174.971 174.900 0.051 0.000 0.983 264 G CA 0.318 45.436 45.100 0.030 0.000 0.676 264 G HN 0.106 nan 8.290 nan 0.000 0.528 265 V N 1.987 121.948 119.914 0.079 0.000 2.599 265 V HA 0.379 4.499 4.120 -0.000 0.000 0.300 265 V C 1.436 177.564 176.094 0.056 0.000 1.034 265 V CA 0.387 62.736 62.300 0.081 0.000 1.115 265 V CB 1.018 32.911 31.823 0.117 0.000 0.934 265 V HN 0.968 nan 8.190 nan 0.000 0.485 266 S N 4.318 120.054 115.700 0.061 0.000 2.585 266 S HA 0.379 4.849 4.470 -0.000 0.000 0.273 266 S C 1.323 175.968 174.600 0.075 0.000 1.339 266 S CA -0.115 58.114 58.200 0.048 0.000 1.028 266 S CB 1.385 64.611 63.200 0.044 0.000 0.906 266 S HN 1.067 nan 8.310 nan 0.000 0.528 267 A N 1.074 123.922 122.820 0.047 0.000 1.978 267 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 267 A C 2.083 179.744 177.584 0.128 0.000 1.170 267 A CA 1.827 53.906 52.037 0.069 0.000 0.636 267 A CB -1.045 17.968 19.000 0.022 0.000 0.810 267 A HN 0.965 nan 8.150 nan 0.000 0.448 268 E N 0.369 120.620 120.200 0.086 0.000 2.007 268 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 268 E C 2.017 178.667 176.600 0.083 0.000 0.999 268 E CA 1.935 58.378 56.400 0.072 0.000 0.811 268 E CB -0.213 29.514 29.700 0.045 0.000 0.762 268 E HN 0.504 nan 8.360 nan 0.000 0.450 269 K N -0.288 120.164 120.400 0.087 0.000 2.063 269 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 269 K C 2.019 178.679 176.600 0.099 0.000 1.048 269 K CA 1.650 57.984 56.287 0.078 0.000 0.928 269 K CB -0.819 31.726 32.500 0.076 0.000 0.713 269 K HN 0.253 nan 8.250 nan 0.000 0.442 270 F N 1.871 121.830 119.950 0.015 0.000 2.026 270 F HA -0.207 4.320 4.527 -0.000 0.000 0.296 270 F C 1.985 177.798 175.800 0.022 0.000 1.133 270 F CA 2.023 60.036 58.000 0.023 0.000 1.188 270 F CB -0.187 38.826 39.000 0.021 0.000 0.968 270 F HN 0.104 nan 8.300 nan 0.000 0.476 271 E N 0.571 120.851 120.200 0.133 0.000 2.219 271 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 271 E C 2.227 178.781 176.600 -0.076 0.000 0.998 271 E CA 1.111 57.521 56.400 0.016 0.000 0.818 271 E CB -0.745 29.010 29.700 0.092 0.000 0.741 271 E HN 0.564 nan 8.360 nan 0.000 0.477 272 A N 0.843 123.630 122.820 -0.054 0.000 1.898 272 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 272 A C 2.576 180.105 177.584 -0.091 0.000 1.183 272 A CA 0.859 52.863 52.037 -0.055 0.000 0.622 272 A CB -0.391 18.596 19.000 -0.021 0.000 0.824 272 A HN 0.126 nan 8.150 nan 0.000 0.444 273 V N -1.006 118.836 119.914 -0.120 0.000 2.453 273 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 273 V C 2.638 178.625 176.094 -0.178 0.000 1.048 273 V CA 2.339 64.565 62.300 -0.124 0.000 1.049 273 V CB -0.552 31.209 31.823 -0.104 0.000 0.672 273 V HN 0.592 nan 8.190 nan 0.000 0.457 274 T N -0.871 113.500 114.554 -0.305 0.000 3.067 274 T HA 0.120 4.470 4.350 -0.000 0.000 0.257 274 T C 1.817 176.324 174.700 -0.321 0.000 1.105 274 T CA 1.008 62.891 62.100 -0.362 0.000 1.104 274 T CB -0.026 68.434 68.868 -0.680 0.000 0.925 274 T HN 0.490 nan 8.240 nan 0.000 0.498 275 A N 1.207 123.892 122.820 -0.226 0.000 1.855 275 A HA 0.267 4.587 4.320 -0.000 0.000 0.215 275 A C 2.652 180.129 177.584 -0.179 0.000 1.191 275 A CA 1.759 53.694 52.037 -0.170 0.000 0.613 275 A CB -1.289 17.649 19.000 -0.104 0.000 0.829 275 A HN 0.545 nan 8.150 nan 0.000 0.442 276 A N 0.227 122.954 122.820 -0.154 0.000 1.865 276 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 276 A C 0.289 177.762 177.584 -0.186 0.000 1.191 276 A CA 1.942 53.899 52.037 -0.132 0.000 0.623 276 A CB -1.778 17.168 19.000 -0.091 0.000 0.826 276 A HN 0.458 nan 8.150 nan 0.000 0.444 277 P HA -0.131 nan 4.420 nan 0.000 0.217 277 P C 1.642 178.581 177.300 -0.603 0.000 1.150 277 P CA 1.044 63.930 63.100 -0.356 0.000 0.832 277 P CB -0.154 31.324 31.700 -0.370 0.000 0.787 278 R N -0.362 119.673 120.500 -0.774 0.000 2.083 278 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 278 R C 2.215 178.384 176.300 -0.219 0.000 1.137 278 R CA 1.855 57.616 56.100 -0.565 0.000 0.951 278 R CB -1.095 28.987 30.300 -0.363 0.000 0.851 278 R HN 0.142 nan 8.270 nan 0.000 0.434 279 A N 0.974 123.694 122.820 -0.165 0.000 1.877 279 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 279 A C 2.170 179.722 177.584 -0.053 0.000 1.186 279 A CA 1.449 53.437 52.037 -0.081 0.000 0.620 279 A CB -0.551 18.407 19.000 -0.070 0.000 0.822 279 A HN 0.274 nan 8.150 nan 0.000 0.443 280 R N -0.336 120.123 120.500 -0.068 0.000 2.083 280 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 280 R C 2.324 178.629 176.300 0.008 0.000 1.137 280 R CA 1.597 57.680 56.100 -0.028 0.000 0.951 280 R CB -0.484 29.797 30.300 -0.032 0.000 0.851 280 R HN 0.445 nan 8.270 nan 0.000 0.434 281 A N 2.005 124.828 122.820 0.004 0.000 1.873 281 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 281 A C 1.988 179.636 177.584 0.107 0.000 1.193 281 A CA 2.243 54.335 52.037 0.093 0.000 0.629 281 A CB -0.505 18.601 19.000 0.177 0.000 0.826 281 A HN 0.611 nan 8.150 nan 0.000 0.447 282 K N -0.533 119.913 120.400 0.077 0.000 2.418 282 K HA 0.096 4.416 4.320 -0.000 0.000 0.195 282 K C 1.763 178.404 176.600 0.068 0.000 1.035 282 K CA 1.102 57.443 56.287 0.090 0.000 1.003 282 K CB 0.000 32.545 32.500 0.075 0.000 0.793 282 K HN 0.413 nan 8.250 nan 0.000 0.494 283 K N 1.151 121.579 120.400 0.047 0.000 2.062 283 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 283 K C 2.095 178.723 176.600 0.048 0.000 1.051 283 K CA 1.042 57.349 56.287 0.035 0.000 0.941 283 K CB -0.160 32.351 32.500 0.018 0.000 0.719 283 K HN 0.253 nan 8.250 nan 0.000 0.440 284 A N 1.151 124.015 122.820 0.074 0.000 1.969 284 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 284 A C 1.963 179.647 177.584 0.168 0.000 1.169 284 A CA 1.101 53.200 52.037 0.102 0.000 0.635 284 A CB -0.448 18.625 19.000 0.123 0.000 0.810 284 A HN 0.321 nan 8.150 nan 0.000 0.445 285 I N -0.357 120.326 120.570 0.189 0.000 2.439 285 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 285 I C 2.897 179.111 176.117 0.162 0.000 1.139 285 I CA 0.751 62.202 61.300 0.252 0.000 1.438 285 I CB -0.306 37.837 38.000 0.238 0.000 1.085 285 I HN 0.338 nan 8.210 nan 0.000 0.427 286 A N 1.160 124.026 122.820 0.076 0.000 1.917 286 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 286 A C 2.566 180.136 177.584 -0.025 0.000 1.182 286 A CA 1.992 54.045 52.037 0.027 0.000 0.633 286 A CB -0.932 18.075 19.000 0.012 0.000 0.819 286 A HN 0.431 nan 8.150 nan 0.000 0.448 287 A N -1.437 121.318 122.820 -0.109 0.000 2.093 287 A HA -0.238 4.082 4.320 -0.000 0.000 0.222 287 A C 1.847 179.206 177.584 -0.375 0.000 1.162 287 A CA 1.843 53.714 52.037 -0.276 0.000 0.655 287 A CB -0.779 17.978 19.000 -0.405 0.000 0.805 287 A HN 0.751 nan 8.150 nan 0.000 0.461 288 H N -1.833 117.268 119.070 0.051 0.000 2.750 288 H HA 0.245 4.801 4.556 -0.000 0.000 0.263 288 H C 1.884 177.231 175.328 0.032 0.000 0.964 288 H CA 0.197 56.277 56.048 0.052 0.000 1.205 288 H CB -0.097 29.713 29.762 0.080 0.000 1.454 288 H HN 0.382 nan 8.280 nan 0.000 0.503 289 L N 1.040 122.324 121.223 0.101 0.000 2.043 289 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 289 L C 2.663 179.557 176.870 0.039 0.000 1.075 289 L CA 1.783 56.654 54.840 0.052 0.000 0.752 289 L CB -0.245 41.831 42.059 0.028 0.000 0.891 289 L HN 0.254 nan 8.230 nan 0.000 0.432 290 E N 0.239 120.458 120.200 0.032 0.000 2.048 290 E HA -0.279 4.071 4.350 -0.000 0.000 0.202 290 E C 1.979 178.601 176.600 0.036 0.000 1.021 290 E CA 2.815 59.230 56.400 0.026 0.000 0.825 290 E CB -0.133 29.577 29.700 0.016 0.000 0.756 290 E HN 0.559 nan 8.360 nan 0.000 0.454 291 T N -1.669 112.918 114.554 0.056 0.000 2.942 291 T HA -0.038 4.312 4.350 -0.000 0.000 0.265 291 T C 1.760 176.494 174.700 0.057 0.000 1.062 291 T CA 0.747 62.883 62.100 0.060 0.000 1.139 291 T CB -0.112 68.804 68.868 0.080 0.000 0.883 291 T HN 0.056 nan 8.240 nan 0.000 0.468 292 L N 1.626 122.885 121.223 0.060 0.000 2.131 292 L HA 0.255 4.595 4.340 -0.000 0.000 0.206 292 L C 1.290 178.162 176.870 0.003 0.000 1.087 292 L CA 0.978 55.838 54.840 0.034 0.000 0.767 292 L CB -1.392 40.682 42.059 0.026 0.000 0.917 292 L HN 0.255 nan 8.230 nan 0.000 0.441 293 T N 0.306 114.862 114.554 0.004 0.000 2.831 293 T HA 0.339 4.689 4.350 -0.000 0.000 0.291 293 T C 1.195 175.893 174.700 -0.004 0.000 0.981 293 T CA 0.963 63.059 62.100 -0.007 0.000 1.174 293 T CB 0.188 69.055 68.868 -0.001 0.000 0.929 293 T HN 0.609 nan 8.240 nan 0.000 0.532 294 G N 3.061 111.853 108.800 -0.012 0.000 2.217 294 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.246 294 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.246 294 G C 0.176 175.071 174.900 -0.007 0.000 0.990 294 G CA -0.419 44.675 45.100 -0.009 0.000 0.627 294 G HN 0.585 nan 8.290 nan 0.000 0.522 295 K N 1.795 122.193 120.400 -0.003 0.000 2.270 295 K HA 0.491 4.811 4.320 -0.000 0.000 0.276 295 K C 0.820 177.419 176.600 -0.001 0.000 1.023 295 K CA 0.400 56.691 56.287 0.007 0.000 0.955 295 K CB 1.325 33.838 32.500 0.022 0.000 0.975 295 K HN 0.664 nan 8.250 nan 0.000 0.471 296 S N 2.053 117.760 115.700 0.011 0.000 2.565 296 S HA 0.449 4.919 4.470 -0.000 0.000 0.274 296 S C -0.116 174.505 174.600 0.036 0.000 1.309 296 S CA -0.953 57.254 58.200 0.012 0.000 1.043 296 S CB 0.799 64.007 63.200 0.014 0.000 0.939 296 S HN 0.485 nan 8.310 nan 0.000 0.504 297 L N 2.910 124.149 121.223 0.027 0.000 2.365 297 L HA 0.831 5.171 4.340 -0.000 0.000 0.273 297 L C -1.406 175.520 176.870 0.093 0.000 1.000 297 L CA -0.830 54.039 54.840 0.049 0.000 0.819 297 L CB 1.670 43.710 42.059 -0.031 0.000 1.284 297 L HN 0.830 nan 8.230 nan 0.000 0.418 298 F N 5.455 125.392 119.950 -0.023 0.000 2.556 298 F HA 0.724 5.251 4.527 -0.000 0.000 0.314 298 F C -1.183 174.583 175.800 -0.057 0.000 1.106 298 F CA -0.678 57.285 58.000 -0.062 0.000 0.911 298 F CB 1.952 40.927 39.000 -0.041 0.000 1.190 298 F HN 0.383 nan 8.300 nan 0.000 0.448 299 M N 7.144 126.487 119.600 -0.428 0.000 2.106 299 M HA 0.328 4.808 4.480 -0.000 0.000 0.288 299 M C -1.299 174.841 176.300 -0.266 0.000 0.941 299 M CA -0.509 54.699 55.300 -0.155 0.000 0.934 299 M CB 1.589 34.121 32.600 -0.113 0.000 1.551 299 M HN 0.412 nan 8.290 nan 0.000 0.437 300 F N 3.917 123.918 119.950 0.086 0.000 2.485 300 F HA 0.316 4.843 4.527 -0.000 0.000 0.327 300 F C -1.654 174.163 175.800 0.029 0.000 1.203 300 F CA -1.156 56.893 58.000 0.082 0.000 1.295 300 F CB 0.159 39.229 39.000 0.118 0.000 1.191 300 F HN 0.299 nan 8.300 nan 0.000 0.588 301 P HA 0.199 nan 4.420 nan 0.000 0.286 301 P C -0.815 176.590 177.300 0.174 0.000 1.269 301 P CA -0.069 63.126 63.100 0.159 0.000 0.787 301 P CB 2.064 33.844 31.700 0.133 0.000 0.920 302 D N 0.157 120.670 120.400 0.189 0.000 2.900 302 D HA 0.003 4.643 4.640 -0.000 0.000 0.175 302 D C 1.036 177.580 176.300 0.407 0.000 1.476 302 D CA 0.553 54.705 54.000 0.253 0.000 1.488 302 D CB 0.111 41.042 40.800 0.218 0.000 1.426 302 D HN 0.459 nan 8.370 nan 0.000 0.295 303 S N -0.059 115.849 115.700 0.345 0.000 2.495 303 S HA 0.296 4.766 4.470 -0.000 0.000 0.273 303 S C 0.631 175.344 174.600 0.188 0.000 1.156 303 S CA -0.253 58.074 58.200 0.212 0.000 1.032 303 S CB 0.978 64.225 63.200 0.078 0.000 1.160 303 S HN 0.036 nan 8.310 nan 0.000 0.489 304 Q N -0.118 119.820 119.800 0.230 0.000 2.175 304 Q HA 0.429 4.769 4.340 -0.000 0.000 0.225 304 Q C 0.697 176.735 176.000 0.063 0.000 0.837 304 Q CA -0.104 55.808 55.803 0.181 0.000 1.032 304 Q CB -0.136 28.751 28.738 0.248 0.000 1.137 304 Q HN 0.568 nan 8.270 nan 0.000 0.483 305 L N -0.408 120.833 121.223 0.031 0.000 2.554 305 L HA -0.037 4.303 4.340 -0.000 0.000 0.226 305 L C 1.357 178.151 176.870 -0.127 0.000 1.137 305 L CA 0.428 55.209 54.840 -0.098 0.000 0.863 305 L CB -0.000 41.955 42.059 -0.172 0.000 0.985 305 L HN 0.181 nan 8.230 nan 0.000 0.451 306 E N 1.132 121.300 120.200 -0.053 0.000 2.038 306 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 306 E C 2.146 178.699 176.600 -0.078 0.000 1.000 306 E CA 1.524 57.887 56.400 -0.061 0.000 0.803 306 E CB -0.237 29.445 29.700 -0.031 0.000 0.750 306 E HN 0.382 nan 8.360 nan 0.000 0.448 307 I N 0.547 121.088 120.570 -0.047 0.000 2.113 307 I HA -0.212 3.958 4.170 -0.000 0.000 0.238 307 I C -0.820 175.296 176.117 -0.002 0.000 1.070 307 I CA 1.168 62.453 61.300 -0.025 0.000 1.332 307 I CB -1.150 36.851 38.000 0.003 0.000 1.044 307 I HN 0.115 nan 8.210 nan 0.000 0.402 308 P HA -0.185 nan 4.420 nan 0.000 0.215 308 P C 1.947 179.247 177.300 0.000 0.000 1.157 308 P CA 1.598 64.762 63.100 0.107 0.000 0.874 308 P CB -0.049 31.799 31.700 0.246 0.000 0.790 309 L N -1.143 119.961 121.223 -0.199 0.000 2.042 309 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 309 L C 2.514 179.298 176.870 -0.143 0.000 1.076 309 L CA 1.710 56.407 54.840 -0.240 0.000 0.749 309 L CB -1.279 40.582 42.059 -0.331 0.000 0.893 309 L HN -0.036 nan 8.230 nan 0.000 0.432 310 A N -0.184 122.555 122.820 -0.134 0.000 1.933 310 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 310 A C 2.472 180.015 177.584 -0.069 0.000 1.175 310 A CA 1.484 53.443 52.037 -0.130 0.000 0.628 310 A CB -0.579 18.355 19.000 -0.110 0.000 0.814 310 A HN 0.284 nan 8.150 nan 0.000 0.444 311 R N -0.924 119.577 120.500 0.002 0.000 2.083 311 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 311 R C 1.938 178.279 176.300 0.068 0.000 1.137 311 R CA 2.216 58.351 56.100 0.059 0.000 0.951 311 R CB -0.822 29.540 30.300 0.103 0.000 0.851 311 R HN 0.557 nan 8.270 nan 0.000 0.434 312 F N 1.214 121.126 119.950 -0.063 0.000 2.146 312 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 312 F C 1.998 177.733 175.800 -0.108 0.000 1.096 312 F CA 1.247 59.207 58.000 -0.068 0.000 1.275 312 F CB -0.395 38.558 39.000 -0.078 0.000 1.008 312 F HN -0.025 nan 8.300 nan 0.000 0.480 313 L N -0.079 120.843 121.223 -0.502 0.000 2.093 313 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 313 L C 2.772 179.412 176.870 -0.384 0.000 1.085 313 L CA 1.013 55.475 54.840 -0.630 0.000 0.755 313 L CB -1.113 40.628 42.059 -0.530 0.000 0.904 313 L HN 0.273 nan 8.230 nan 0.000 0.435 314 A N 0.147 122.838 122.820 -0.214 0.000 1.854 314 A HA -0.139 4.180 4.320 -0.000 0.000 0.214 314 A C 2.396 179.962 177.584 -0.030 0.000 1.192 314 A CA 1.155 53.139 52.037 -0.088 0.000 0.611 314 A CB -0.353 18.640 19.000 -0.012 0.000 0.832 314 A HN 0.254 nan 8.150 nan 0.000 0.442 315 R N -0.567 119.921 120.500 -0.019 0.000 2.073 315 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 315 R C 1.793 178.050 176.300 -0.071 0.000 1.120 315 R CA 1.574 57.670 56.100 -0.007 0.000 0.967 315 R CB -0.123 30.157 30.300 -0.033 0.000 0.862 315 R HN 0.631 nan 8.270 nan 0.000 0.436 316 E N -1.353 118.745 120.200 -0.170 0.000 2.389 316 E HA 0.029 4.379 4.350 -0.000 0.000 0.199 316 E C 1.166 177.636 176.600 -0.218 0.000 0.978 316 E CA 0.147 56.452 56.400 -0.159 0.000 0.912 316 E CB 0.673 30.318 29.700 -0.092 0.000 0.907 316 E HN 0.256 nan 8.360 nan 0.000 0.494 317 C N -0.127 118.975 119.300 -0.330 0.000 3.070 317 C HA 0.326 4.786 4.460 -0.000 0.000 0.280 317 C C 1.540 176.451 174.990 -0.133 0.000 1.264 317 C CA 0.255 59.127 59.018 -0.244 0.000 1.690 317 C CB -0.057 27.464 27.740 -0.364 0.000 2.049 317 C HN 0.639 nan 8.230 nan 0.000 0.636 318 G N 1.460 110.194 108.800 -0.109 0.000 2.147 318 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 318 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 318 G C -0.031 174.834 174.900 -0.058 0.000 1.005 318 G CA 0.074 45.142 45.100 -0.052 0.000 0.713 318 G HN 0.509 nan 8.290 nan 0.000 0.515 319 M N -0.316 119.227 119.600 -0.095 0.000 2.242 319 M HA 0.334 4.814 4.480 -0.000 0.000 0.344 319 M C 0.578 176.835 176.300 -0.071 0.000 1.140 319 M CA 0.295 55.544 55.300 -0.085 0.000 1.160 319 M CB 0.827 33.352 32.600 -0.125 0.000 1.491 319 M HN 0.062 nan 8.290 nan 0.000 0.459 320 K N 1.845 122.211 120.400 -0.055 0.000 2.253 320 K HA 0.238 4.558 4.320 -0.000 0.000 0.277 320 K C -0.106 176.460 176.600 -0.057 0.000 1.053 320 K CA -0.419 55.833 56.287 -0.058 0.000 0.892 320 K CB 0.740 33.212 32.500 -0.046 0.000 1.102 320 K HN 0.639 nan 8.250 nan 0.000 0.469 321 T N -0.432 114.078 114.554 -0.074 0.000 2.907 321 T HA 0.108 4.458 4.350 -0.000 0.000 0.298 321 T C 1.120 175.780 174.700 -0.066 0.000 1.017 321 T CA -0.450 61.603 62.100 -0.078 0.000 1.118 321 T CB 1.319 70.130 68.868 -0.094 0.000 0.948 321 T HN 0.681 nan 8.240 nan 0.000 0.531 322 T N -0.039 114.481 114.554 -0.057 0.000 3.556 322 T HA 0.307 4.657 4.350 -0.000 0.000 0.204 322 T C 0.217 174.855 174.700 -0.104 0.000 0.896 322 T CA -0.273 61.806 62.100 -0.035 0.000 1.380 322 T CB -0.230 68.675 68.868 0.063 0.000 1.584 322 T HN 0.785 nan 8.240 nan 0.000 0.411 323 E N 0.629 120.704 120.200 -0.209 0.000 2.158 323 E HA 0.492 4.842 4.350 -0.000 0.000 0.271 323 E C -1.312 174.919 176.600 -0.614 0.000 0.911 323 E CA -0.950 55.210 56.400 -0.401 0.000 0.767 323 E CB 0.988 30.439 29.700 -0.415 0.000 1.120 323 E HN 0.406 nan 8.360 nan 0.000 0.405 324 I N 3.370 123.707 120.570 -0.388 0.000 2.389 324 I HA 0.466 4.636 4.170 -0.000 0.000 0.288 324 I C -0.023 175.937 176.117 -0.261 0.000 0.999 324 I CA -0.696 60.405 61.300 -0.332 0.000 1.129 324 I CB 0.676 38.559 38.000 -0.195 0.000 1.288 324 I HN 0.566 nan 8.210 nan 0.000 0.444 325 A N 4.374 127.039 122.820 -0.258 0.000 2.337 325 A HA 0.870 5.190 4.320 -0.000 0.000 0.331 325 A C -0.181 177.377 177.584 -0.044 0.000 1.137 325 A CA -0.553 51.403 52.037 -0.135 0.000 0.807 325 A CB 1.739 20.665 19.000 -0.122 0.000 1.250 325 A HN 0.665 nan 8.150 nan 0.000 0.468 326 T N 0.843 115.399 114.554 0.004 0.000 2.933 326 T HA 0.570 4.920 4.350 -0.000 0.000 0.305 326 T C -2.400 172.362 174.700 0.104 0.000 1.092 326 T CA -1.347 60.787 62.100 0.057 0.000 1.008 326 T CB 1.715 70.607 68.868 0.040 0.000 1.102 326 T HN 0.250 nan 8.240 nan 0.000 0.469 327 P HA 0.128 nan 4.420 nan 0.000 0.218 327 P C -0.348 177.119 177.300 0.277 0.000 1.148 327 P CA 0.812 64.030 63.100 0.197 0.000 0.822 327 P CB 0.081 31.911 31.700 0.216 0.000 0.784 328 F N -0.854 119.150 119.950 0.090 0.000 2.604 328 F HA 0.489 5.016 4.527 -0.000 0.000 0.316 328 F C -1.958 173.901 175.800 0.097 0.000 1.136 328 F CA -1.501 56.555 58.000 0.093 0.000 0.989 328 F CB 1.337 40.406 39.000 0.114 0.000 1.258 328 F HN -0.407 nan 8.300 nan 0.000 0.451 329 L N 6.943 127.779 121.223 -0.645 0.000 2.301 329 L HA 0.378 4.718 4.340 -0.000 0.000 0.278 329 L C -1.126 175.345 176.870 -0.665 0.000 1.022 329 L CA -0.302 54.261 54.840 -0.461 0.000 0.854 329 L CB 0.137 42.060 42.059 -0.227 0.000 1.226 329 L HN 0.700 nan 8.230 nan 0.000 0.429 330 H N 4.520 123.301 119.070 -0.482 0.000 3.089 330 H HA 0.133 4.689 4.556 -0.000 0.000 0.262 330 H C 0.619 175.905 175.328 -0.069 0.000 1.160 330 H CA 0.381 56.313 56.048 -0.193 0.000 1.482 330 H CB 0.871 30.741 29.762 0.180 0.000 1.511 330 H HN 0.719 nan 8.280 nan 0.000 0.483 331 K N 3.268 123.560 120.400 -0.180 0.000 2.032 331 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 331 K C 2.043 178.682 176.600 0.066 0.000 1.048 331 K CA 1.470 57.722 56.287 -0.059 0.000 0.927 331 K CB 0.167 32.605 32.500 -0.103 0.000 0.712 331 K HN 0.557 nan 8.250 nan 0.000 0.441 332 A N 1.446 124.347 122.820 0.135 0.000 1.873 332 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 332 A C 2.152 179.879 177.584 0.238 0.000 1.186 332 A CA 1.152 53.304 52.037 0.192 0.000 0.616 332 A CB -0.559 18.565 19.000 0.205 0.000 0.823 332 A HN 0.163 nan 8.150 nan 0.000 0.442 333 I N -1.542 119.274 120.570 0.410 0.000 2.264 333 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 333 I C 2.370 178.640 176.117 0.256 0.000 1.111 333 I CA 1.540 62.968 61.300 0.214 0.000 1.382 333 I CB -0.089 37.937 38.000 0.043 0.000 1.060 333 I HN 0.289 nan 8.210 nan 0.000 0.418 334 M N -0.029 119.718 119.600 0.245 0.000 2.495 334 M HA 0.199 4.679 4.480 -0.000 0.000 0.237 334 M C 1.877 178.260 176.300 0.139 0.000 1.131 334 M CA 0.387 55.815 55.300 0.213 0.000 1.032 334 M CB -0.314 32.372 32.600 0.144 0.000 1.513 334 M HN 0.181 nan 8.290 nan 0.000 0.488 335 A N 1.147 124.030 122.820 0.106 0.000 1.859 335 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 335 A C -0.356 177.257 177.584 0.048 0.000 1.198 335 A CA 1.838 53.911 52.037 0.060 0.000 0.629 335 A CB -2.170 16.854 19.000 0.041 0.000 0.830 335 A HN 0.386 nan 8.150 nan 0.000 0.446 336 P HA -0.154 nan 4.420 nan 0.000 0.216 336 P C 0.831 178.159 177.300 0.046 0.000 1.153 336 P CA 1.548 64.655 63.100 0.013 0.000 0.858 336 P CB -0.110 31.571 31.700 -0.032 0.000 0.789 337 D N -1.093 119.363 120.400 0.093 0.000 2.149 337 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 337 D C 2.049 178.403 176.300 0.090 0.000 0.972 337 D CA 0.863 54.935 54.000 0.120 0.000 0.835 337 D CB -0.295 40.626 40.800 0.201 0.000 0.966 337 D HN 0.159 nan 8.370 nan 0.000 0.476 338 L N 1.010 122.278 121.223 0.075 0.000 2.046 338 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 338 L C 2.525 179.426 176.870 0.053 0.000 1.077 338 L CA 1.008 55.880 54.840 0.052 0.000 0.747 338 L CB -0.378 41.702 42.059 0.036 0.000 0.896 338 L HN -0.044 nan 8.230 nan 0.000 0.432 339 A N -0.500 122.348 122.820 0.048 0.000 2.178 339 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 339 A C 2.053 179.677 177.584 0.068 0.000 1.157 339 A CA 1.283 53.347 52.037 0.046 0.000 0.689 339 A CB -0.433 18.583 19.000 0.026 0.000 0.787 339 A HN 0.466 nan 8.150 nan 0.000 0.465 340 L N -1.327 119.943 121.223 0.079 0.000 2.609 340 L HA 0.276 4.616 4.340 -0.000 0.000 0.230 340 L C 0.503 177.490 176.870 0.195 0.000 1.087 340 L CA -0.333 54.566 54.840 0.099 0.000 0.874 340 L CB -0.013 42.074 42.059 0.047 0.000 1.114 340 L HN 0.193 nan 8.230 nan 0.000 0.488 341 L N 2.931 124.239 121.223 0.142 0.000 2.490 341 L HA 0.107 4.447 4.340 -0.000 0.000 0.274 341 L C -1.784 175.155 176.870 0.116 0.000 1.201 341 L CA -1.591 53.321 54.840 0.120 0.000 0.869 341 L CB 0.458 42.544 42.059 0.044 0.000 1.123 341 L HN -0.178 nan 8.230 nan 0.000 0.484 342 P HA -0.026 nan 4.420 nan 0.000 0.264 342 P C 0.186 177.402 177.300 -0.140 0.000 1.183 342 P CA 0.151 63.123 63.100 -0.213 0.000 0.763 342 P CB 0.569 32.113 31.700 -0.259 0.000 0.807 343 S N 1.951 117.552 115.700 -0.165 0.000 2.447 343 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 343 S C 1.612 176.156 174.600 -0.093 0.000 1.006 343 S CA 0.983 59.124 58.200 -0.098 0.000 0.957 343 S CB -0.720 62.427 63.200 -0.088 0.000 0.773 343 S HN 0.659 nan 8.310 nan 0.000 0.507 344 N N 1.796 120.426 118.700 -0.118 0.000 2.331 344 N HA -0.091 4.648 4.740 -0.000 0.000 0.180 344 N C -0.104 175.358 175.510 -0.081 0.000 1.019 344 N CA 0.603 53.596 53.050 -0.095 0.000 0.881 344 N CB -1.044 37.380 38.487 -0.104 0.000 0.972 344 N HN 0.144 nan 8.380 nan 0.000 0.435 345 T N 1.498 116.000 114.554 -0.087 0.000 2.849 345 T HA 0.207 4.557 4.350 -0.000 0.000 0.289 345 T C 0.276 174.929 174.700 -0.077 0.000 1.010 345 T CA 0.208 62.257 62.100 -0.084 0.000 1.161 345 T CB 0.402 69.223 68.868 -0.080 0.000 0.989 345 T HN 0.416 nan 8.240 nan 0.000 0.523 346 A N 5.093 127.862 122.820 -0.086 0.000 2.260 346 A HA 0.588 4.908 4.320 -0.000 0.000 0.312 346 A C 0.123 177.644 177.584 -0.106 0.000 1.321 346 A CA -0.712 51.276 52.037 -0.081 0.000 0.928 346 A CB 0.025 18.985 19.000 -0.066 0.000 1.158 346 A HN 0.841 nan 8.150 nan 0.000 0.542 347 L N 2.012 123.184 121.223 -0.086 0.000 2.379 347 L HA 0.619 4.959 4.340 -0.000 0.000 0.269 347 L C 0.200 177.022 176.870 -0.080 0.000 1.084 347 L CA -0.178 54.608 54.840 -0.091 0.000 0.802 347 L CB 1.883 43.900 42.059 -0.069 0.000 1.175 347 L HN 0.635 nan 8.230 nan 0.000 0.448 348 T N 0.937 115.440 114.554 -0.085 0.000 2.971 348 T HA 0.252 4.602 4.350 -0.000 0.000 0.304 348 T C -0.993 173.685 174.700 -0.037 0.000 1.038 348 T CA -0.644 61.423 62.100 -0.056 0.000 1.007 348 T CB 1.841 70.673 68.868 -0.061 0.000 1.055 348 T HN 0.581 nan 8.240 nan 0.000 0.451 349 E N 2.114 122.303 120.200 -0.018 0.000 2.151 349 E HA 0.590 4.940 4.350 -0.000 0.000 0.275 349 E C 0.609 177.233 176.600 0.039 0.000 0.936 349 E CA -0.052 56.350 56.400 0.003 0.000 0.777 349 E CB 0.708 30.390 29.700 -0.029 0.000 1.108 349 E HN 0.990 nan 8.360 nan 0.000 0.401 350 G N 3.036 111.880 108.800 0.073 0.000 2.568 350 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.222 350 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.222 350 G C -0.757 174.192 174.900 0.082 0.000 1.321 350 G CA -0.003 45.150 45.100 0.087 0.000 0.893 350 G HN 0.770 nan 8.290 nan 0.000 0.569 351 Q N -0.545 119.305 119.800 0.083 0.000 2.443 351 Q HA 0.459 4.799 4.340 -0.000 0.000 0.258 351 Q C -2.425 173.624 176.000 0.083 0.000 0.967 351 Q CA -0.519 55.341 55.803 0.096 0.000 0.951 351 Q CB 1.853 30.665 28.738 0.122 0.000 1.459 351 Q HN 0.751 nan 8.270 nan 0.000 0.415 352 D N 4.450 124.901 120.400 0.086 0.000 2.461 352 D HA 0.153 4.793 4.640 -0.000 0.000 0.240 352 D C 0.273 176.630 176.300 0.095 0.000 1.094 352 D CA -0.499 53.545 54.000 0.075 0.000 0.868 352 D CB 1.486 42.322 40.800 0.061 0.000 1.062 352 D HN 0.595 nan 8.370 nan 0.000 0.530 353 L N 4.178 125.451 121.223 0.083 0.000 1.989 353 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 353 L C 1.833 178.760 176.870 0.095 0.000 1.071 353 L CA 1.847 56.743 54.840 0.094 0.000 0.749 353 L CB -0.290 41.790 42.059 0.035 0.000 0.890 353 L HN 0.409 nan 8.230 nan 0.000 0.431 354 E N -0.035 120.202 120.200 0.062 0.000 2.118 354 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 354 E C 2.166 178.811 176.600 0.075 0.000 0.992 354 E CA 1.364 57.798 56.400 0.057 0.000 0.804 354 E CB -0.581 29.142 29.700 0.038 0.000 0.741 354 E HN 0.643 nan 8.360 nan 0.000 0.458 355 A N 1.228 124.094 122.820 0.077 0.000 1.858 355 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 355 A C 2.201 179.849 177.584 0.106 0.000 1.190 355 A CA 1.765 53.848 52.037 0.077 0.000 0.617 355 A CB -0.670 18.369 19.000 0.066 0.000 0.827 355 A HN 0.241 nan 8.150 nan 0.000 0.443 356 Q N -0.651 119.237 119.800 0.147 0.000 2.170 356 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 356 Q C 1.944 178.092 176.000 0.246 0.000 0.976 356 Q CA 1.195 57.125 55.803 0.210 0.000 0.858 356 Q CB -0.221 28.685 28.738 0.281 0.000 0.907 356 Q HN 0.703 nan 8.270 nan 0.000 0.433 357 L N 0.344 121.706 121.223 0.232 0.000 2.141 357 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 357 L C 1.668 178.623 176.870 0.141 0.000 1.094 357 L CA 0.839 55.801 54.840 0.203 0.000 0.763 357 L CB -0.209 41.927 42.059 0.129 0.000 0.908 357 L HN 0.210 nan 8.230 nan 0.000 0.437 358 D N -0.243 120.218 120.400 0.101 0.000 2.123 358 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 358 D C 2.308 178.634 176.300 0.044 0.000 0.976 358 D CA 0.875 54.913 54.000 0.063 0.000 0.831 358 D CB -0.092 40.739 40.800 0.051 0.000 0.974 358 D HN 0.173 nan 8.370 nan 0.000 0.469 359 R N -0.220 120.319 120.500 0.065 0.000 2.091 359 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 359 R C 2.238 178.535 176.300 -0.005 0.000 1.136 359 R CA 1.350 57.484 56.100 0.057 0.000 0.959 359 R CB -0.536 29.832 30.300 0.113 0.000 0.856 359 R HN 0.357 nan 8.270 nan 0.000 0.437 360 H N 0.964 119.916 119.070 -0.197 0.000 2.251 360 H HA -0.163 4.393 4.556 -0.000 0.000 0.294 360 H C 2.024 177.139 175.328 -0.355 0.000 1.078 360 H CA 2.239 57.959 56.048 -0.548 0.000 1.246 360 H CB -0.174 29.196 29.762 -0.652 0.000 1.358 360 H HN 0.193 nan 8.280 nan 0.000 0.488 361 E N -0.193 119.856 120.200 -0.252 0.000 2.097 361 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 361 E C 2.276 178.776 176.600 -0.167 0.000 1.000 361 E CA 1.095 57.382 56.400 -0.189 0.000 0.804 361 E CB -0.351 29.350 29.700 0.002 0.000 0.740 361 E HN 0.634 nan 8.360 nan 0.000 0.454 362 A N 0.520 123.273 122.820 -0.113 0.000 1.972 362 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 362 A C 2.075 179.602 177.584 -0.095 0.000 1.169 362 A CA 1.134 53.128 52.037 -0.072 0.000 0.635 362 A CB -0.383 18.597 19.000 -0.033 0.000 0.810 362 A HN 0.300 nan 8.150 nan 0.000 0.446 363 I N -1.418 119.056 120.570 -0.160 0.000 2.716 363 I HA -0.096 4.074 4.170 -0.000 0.000 0.259 363 I C 0.707 176.726 176.117 -0.163 0.000 1.172 363 I CA 0.406 61.627 61.300 -0.133 0.000 1.478 363 I CB -0.180 37.772 38.000 -0.080 0.000 1.104 363 I HN 0.387 nan 8.210 nan 0.000 0.439 364 N N 1.294 119.830 118.700 -0.273 0.000 2.667 364 N HA -0.124 4.616 4.740 -0.000 0.000 0.263 364 N C -2.319 173.107 175.510 -0.141 0.000 1.038 364 N CA 0.139 53.070 53.050 -0.199 0.000 0.749 364 N CB -0.578 37.879 38.487 -0.050 0.000 0.892 364 N HN 0.214 nan 8.380 nan 0.000 0.546 365 P HA 0.248 nan 4.420 nan 0.000 0.281 365 P C 0.308 177.624 177.300 0.027 0.000 1.249 365 P CA -0.317 62.751 63.100 -0.053 0.000 0.810 365 P CB 0.856 32.558 31.700 0.004 0.000 1.008 366 D N 0.343 120.777 120.400 0.056 0.000 2.097 366 D HA -0.064 4.576 4.640 -0.000 0.000 0.195 366 D C 0.492 176.862 176.300 0.116 0.000 0.989 366 D CA 1.621 55.669 54.000 0.080 0.000 0.827 366 D CB -0.084 40.752 40.800 0.059 0.000 0.966 366 D HN 0.175 nan 8.370 nan 0.000 0.456 367 L N 0.500 121.800 121.223 0.128 0.000 2.349 367 L HA 0.319 4.659 4.340 -0.000 0.000 0.278 367 L C -0.999 176.000 176.870 0.215 0.000 0.996 367 L CA -0.232 54.708 54.840 0.167 0.000 0.825 367 L CB 2.166 44.323 42.059 0.163 0.000 1.243 367 L HN -0.284 nan 8.230 nan 0.000 0.412 368 T N 4.357 119.059 114.554 0.247 0.000 2.758 368 T HA 0.505 4.855 4.350 -0.000 0.000 0.285 368 T C -0.345 174.536 174.700 0.301 0.000 0.981 368 T CA -0.415 61.874 62.100 0.315 0.000 0.965 368 T CB 1.273 70.320 68.868 0.299 0.000 0.927 368 T HN 0.306 nan 8.240 nan 0.000 0.448 369 V N 4.325 124.432 119.914 0.322 0.000 2.461 369 V HA 0.555 4.675 4.120 -0.000 0.000 0.275 369 V C 0.595 176.893 176.094 0.340 0.000 1.047 369 V CA -0.526 61.941 62.300 0.279 0.000 0.955 369 V CB -0.082 31.887 31.823 0.244 0.000 0.988 369 V HN 1.234 nan 8.190 nan 0.000 0.471 370 C N 2.542 121.991 119.300 0.248 0.000 3.320 370 C HA 0.896 5.356 4.460 -0.000 0.000 0.335 370 C C 0.380 175.430 174.990 0.100 0.000 1.430 370 C CA -0.533 58.594 59.018 0.182 0.000 1.271 370 C CB 1.137 28.908 27.740 0.052 0.000 1.609 370 C HN 1.019 nan 8.230 nan 0.000 0.457 371 G N 0.464 109.261 108.800 -0.006 0.000 2.507 371 G HA2 0.472 4.432 3.960 -0.000 0.000 0.271 371 G HA3 0.472 4.432 3.960 -0.000 0.000 0.271 371 G C 0.606 175.492 174.900 -0.024 0.000 1.189 371 G CA -0.646 44.450 45.100 -0.006 0.000 0.859 371 G HN 0.895 nan 8.290 nan 0.000 0.542 372 L N 1.847 123.088 121.223 0.029 0.000 2.189 372 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 372 L C 2.835 179.647 176.870 -0.096 0.000 1.097 372 L CA 2.084 56.905 54.840 -0.031 0.000 0.764 372 L CB -1.475 40.557 42.059 -0.045 0.000 0.900 372 L HN 0.710 nan 8.230 nan 0.000 0.436 373 G N -0.965 107.749 108.800 -0.143 0.000 2.448 373 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 373 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 373 G C 1.573 176.375 174.900 -0.163 0.000 1.135 373 G CA 0.137 45.143 45.100 -0.156 0.000 0.784 373 G HN 0.239 nan 8.290 nan 0.000 0.543 374 L N 0.436 121.538 121.223 -0.200 0.000 2.408 374 L HA 0.444 4.784 4.340 -0.000 0.000 0.215 374 L C 2.932 179.703 176.870 -0.165 0.000 1.081 374 L CA 0.819 55.508 54.840 -0.252 0.000 0.840 374 L CB -0.504 41.272 42.059 -0.473 0.000 1.002 374 L HN 0.224 nan 8.230 nan 0.000 0.468 375 A N 0.032 122.792 122.820 -0.100 0.000 1.835 375 A HA -0.240 4.080 4.320 -0.000 0.000 0.215 375 A C 2.132 179.702 177.584 -0.022 0.000 1.199 375 A CA 2.171 54.188 52.037 -0.032 0.000 0.615 375 A CB -0.830 18.175 19.000 0.008 0.000 0.838 375 A HN 0.509 nan 8.150 nan 0.000 0.444 376 N N -0.154 118.522 118.700 -0.040 0.000 2.069 376 N HA -0.111 4.629 4.740 -0.000 0.000 0.191 376 N C -1.053 174.445 175.510 -0.020 0.000 1.031 376 N CA 1.571 54.603 53.050 -0.030 0.000 0.852 376 N CB -0.676 37.784 38.487 -0.044 0.000 1.018 376 N HN 0.343 nan 8.380 nan 0.000 0.423 377 P HA -0.115 nan 4.420 nan 0.000 0.218 377 P C 1.061 178.371 177.300 0.018 0.000 1.148 377 P CA 0.774 63.863 63.100 -0.018 0.000 0.822 377 P CB 0.137 31.815 31.700 -0.038 0.000 0.784 378 L N -0.261 120.981 121.223 0.031 0.000 2.056 378 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 378 L C 2.303 179.259 176.870 0.144 0.000 1.078 378 L CA 1.814 56.735 54.840 0.135 0.000 0.749 378 L CB -1.574 40.544 42.059 0.098 0.000 0.901 378 L HN -0.034 nan 8.230 nan 0.000 0.433 379 E N -0.115 120.131 120.200 0.077 0.000 2.033 379 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 379 E C 2.183 178.785 176.600 0.003 0.000 1.011 379 E CA 1.547 57.974 56.400 0.045 0.000 0.815 379 E CB -0.552 29.164 29.700 0.027 0.000 0.755 379 E HN 0.424 nan 8.360 nan 0.000 0.451 380 A N 0.754 123.573 122.820 -0.001 0.000 2.148 380 A HA -0.207 4.113 4.320 -0.000 0.000 0.222 380 A C 1.861 179.422 177.584 -0.037 0.000 1.161 380 A CA 1.670 53.697 52.037 -0.017 0.000 0.662 380 A CB -0.282 18.711 19.000 -0.012 0.000 0.799 380 A HN 0.029 nan 8.150 nan 0.000 0.466 381 K N -1.665 118.705 120.400 -0.051 0.000 2.440 381 K HA 0.351 4.671 4.320 -0.000 0.000 0.206 381 K C 0.818 177.212 176.600 -0.343 0.000 1.025 381 K CA 0.654 56.861 56.287 -0.133 0.000 1.135 381 K CB 0.096 32.568 32.500 -0.046 0.000 0.856 381 K HN 0.615 nan 8.250 nan 0.000 0.502 382 G N 1.011 109.670 108.800 -0.235 0.000 2.147 382 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 382 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 382 G C -0.735 174.012 174.900 -0.256 0.000 1.005 382 G CA -0.033 44.929 45.100 -0.231 0.000 0.713 382 G HN 0.545 nan 8.290 nan 0.000 0.515 383 H N 0.187 119.290 119.070 0.055 0.000 2.504 383 H HA 0.637 5.193 4.556 -0.000 0.000 0.322 383 H C 0.701 176.080 175.328 0.085 0.000 1.055 383 H CA -0.224 55.873 56.048 0.082 0.000 1.231 383 H CB 1.587 31.446 29.762 0.161 0.000 1.417 383 H HN 0.552 nan 8.280 nan 0.000 0.472 384 A N 3.323 126.259 122.820 0.192 0.000 2.524 384 A HA 0.296 4.616 4.320 -0.000 0.000 0.250 384 A C 0.622 178.312 177.584 0.178 0.000 1.078 384 A CA 0.179 52.306 52.037 0.150 0.000 0.761 384 A CB -0.298 18.777 19.000 0.124 0.000 1.012 384 A HN 0.789 nan 8.150 nan 0.000 0.500 385 T N 0.334 114.980 114.554 0.153 0.000 2.930 385 T HA 0.731 5.081 4.350 -0.000 0.000 0.290 385 T C -0.683 174.106 174.700 0.149 0.000 1.052 385 T CA -0.939 61.258 62.100 0.161 0.000 1.017 385 T CB 1.781 70.733 68.868 0.139 0.000 1.137 385 T HN 0.555 nan 8.240 nan 0.000 0.511 386 K N 2.030 122.526 120.400 0.161 0.000 2.541 386 K HA 0.236 4.556 4.320 -0.000 0.000 0.250 386 K C -0.869 175.833 176.600 0.171 0.000 0.950 386 K CA -0.758 55.602 56.287 0.123 0.000 0.805 386 K CB 1.367 33.894 32.500 0.044 0.000 1.166 386 K HN 0.880 nan 8.250 nan 0.000 0.430 387 W N 4.199 125.475 121.300 -0.040 0.000 2.303 387 W HA 0.302 4.962 4.660 -0.000 0.000 0.318 387 W C 0.172 176.660 176.519 -0.051 0.000 1.362 387 W CA -0.422 56.907 57.345 -0.027 0.000 1.234 387 W CB -0.192 29.261 29.460 -0.011 0.000 1.248 387 W HN 0.621 nan 8.180 nan 0.000 0.546 388 A N 4.114 126.938 122.820 0.007 0.000 1.969 388 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 388 A C 1.877 179.305 177.584 -0.261 0.000 1.169 388 A CA 1.316 53.294 52.037 -0.099 0.000 0.635 388 A CB -0.330 18.706 19.000 0.061 0.000 0.810 388 A HN 0.632 nan 8.150 nan 0.000 0.445 389 I N -0.115 120.292 120.570 -0.271 0.000 2.252 389 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 389 I C 2.273 177.963 176.117 -0.712 0.000 1.102 389 I CA 1.593 62.773 61.300 -0.201 0.000 1.385 389 I CB -0.325 37.778 38.000 0.171 0.000 1.064 389 I HN 0.521 nan 8.210 nan 0.000 0.414 390 E N 1.012 120.265 120.200 -1.579 0.000 2.253 390 E HA -0.266 4.084 4.350 -0.000 0.000 0.202 390 E C 2.082 177.847 176.600 -1.392 0.000 1.014 390 E CA 1.302 56.504 56.400 -1.998 0.000 0.823 390 E CB -0.180 28.440 29.700 -1.801 0.000 0.736 390 E HN 0.526 nan 8.360 nan 0.000 0.478 391 L N -0.086 120.630 121.223 -0.845 0.000 2.376 391 L HA -0.085 4.255 4.340 -0.000 0.000 0.219 391 L C 2.064 178.665 176.870 -0.448 0.000 1.133 391 L CA 0.222 54.734 54.840 -0.547 0.000 0.816 391 L CB 0.082 41.914 42.059 -0.378 0.000 0.933 391 L HN 0.048 nan 8.230 nan 0.000 0.449 392 V N -0.690 118.921 119.914 -0.504 0.000 3.608 392 V HA -0.088 4.032 4.120 -0.000 0.000 0.269 392 V C 1.375 177.155 176.094 -0.523 0.000 1.245 392 V CA 0.867 62.834 62.300 -0.555 0.000 1.138 392 V CB -0.186 31.152 31.823 -0.808 0.000 0.841 392 V HN 0.562 nan 8.190 nan 0.000 0.451 393 F N -1.656 118.087 119.950 -0.345 0.000 2.831 393 F HA 0.459 4.986 4.527 -0.000 0.000 0.334 393 F C 0.445 176.166 175.800 -0.132 0.000 1.071 393 F CA -0.528 57.336 58.000 -0.227 0.000 1.172 393 F CB -0.632 38.294 39.000 -0.124 0.000 1.054 393 F HN -0.155 nan 8.300 nan 0.000 0.572 394 T N 4.294 118.712 114.554 -0.227 0.000 2.882 394 T HA 0.414 4.764 4.350 -0.000 0.000 0.287 394 T C -2.680 171.988 174.700 -0.054 0.000 0.992 394 T CA -1.133 60.915 62.100 -0.085 0.000 1.076 394 T CB 1.209 69.913 68.868 -0.273 0.000 0.961 394 T HN -0.143 nan 8.240 nan 0.000 0.490 395 P HA 0.191 nan 4.420 nan 0.000 0.271 395 P C 0.429 177.732 177.300 0.006 0.000 1.233 395 P CA -0.210 62.907 63.100 0.027 0.000 0.764 395 P CB 0.402 32.119 31.700 0.029 0.000 0.825 396 V N -0.142 119.791 119.914 0.032 0.000 3.426 396 V HA 0.232 4.352 4.120 -0.000 0.000 0.279 396 V C 0.326 176.380 176.094 -0.067 0.000 1.544 396 V CA 0.063 62.334 62.300 -0.048 0.000 1.017 396 V CB -1.222 30.525 31.823 -0.128 0.000 0.821 396 V HN 0.331 nan 8.190 nan 0.000 0.432 397 H N 0.526 119.598 119.070 0.003 0.000 2.551 397 H HA 0.669 5.225 4.556 -0.000 0.000 0.358 397 H C -0.338 175.008 175.328 0.031 0.000 1.151 397 H CA 0.074 56.048 56.048 -0.124 0.000 1.374 397 H CB 0.235 29.919 29.762 -0.130 0.000 1.473 397 H HN 0.167 nan 8.280 nan 0.000 0.574 398 F N -1.860 117.900 119.950 -0.316 0.000 2.183 398 F HA -0.356 4.171 4.527 -0.000 0.000 0.318 398 F C 0.578 176.239 175.800 -0.232 0.000 0.251 398 F CA 0.098 57.872 58.000 -0.377 0.000 0.912 398 F CB -1.127 37.681 39.000 -0.319 0.000 4.135 398 F HN 0.544 nan 8.300 nan 0.000 0.137 399 Y N -0.483 119.901 120.300 0.139 0.000 2.114 399 Y HA -0.115 4.435 4.550 -0.000 0.000 0.284 399 Y C 2.211 178.142 175.900 0.051 0.000 1.143 399 Y CA 1.765 59.901 58.100 0.060 0.000 1.135 399 Y CB -0.493 38.003 38.460 0.061 0.000 0.980 399 Y HN 0.426 nan 8.280 nan 0.000 0.499 400 E N 0.011 120.345 120.200 0.222 0.000 2.333 400 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 400 E C 1.413 178.069 176.600 0.093 0.000 1.007 400 E CA 0.945 57.422 56.400 0.129 0.000 0.845 400 E CB -0.074 29.679 29.700 0.089 0.000 0.766 400 E HN 0.564 nan 8.360 nan 0.000 0.507 401 Q N -1.288 118.562 119.800 0.083 0.000 2.217 401 Q HA 0.292 4.632 4.340 -0.000 0.000 0.217 401 Q C 1.651 177.660 176.000 0.015 0.000 0.844 401 Q CA 0.503 56.332 55.803 0.044 0.000 0.957 401 Q CB 0.584 29.341 28.738 0.033 0.000 1.127 401 Q HN 0.186 nan 8.270 nan 0.000 0.503 402 A N 0.462 123.296 122.820 0.023 0.000 1.917 402 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 402 A C 2.083 179.717 177.584 0.084 0.000 1.182 402 A CA 1.935 53.963 52.037 -0.016 0.000 0.633 402 A CB -1.109 17.924 19.000 0.055 0.000 0.819 402 A HN 0.449 nan 8.150 nan 0.000 0.448 403 G N -0.267 108.615 108.800 0.136 0.000 2.404 403 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 403 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 403 G C 1.134 176.119 174.900 0.142 0.000 1.174 403 G CA 1.113 46.339 45.100 0.211 0.000 0.780 403 G HN 0.464 nan 8.290 nan 0.000 0.537 404 D N 0.418 120.871 120.400 0.087 0.000 2.116 404 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 404 D C 2.397 178.680 176.300 -0.028 0.000 0.998 404 D CA 0.784 54.800 54.000 0.027 0.000 0.836 404 D CB -0.504 40.307 40.800 0.019 0.000 0.951 404 D HN 0.194 nan 8.370 nan 0.000 0.449 405 L N 1.210 122.426 121.223 -0.011 0.000 1.990 405 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 405 L C 2.195 179.193 176.870 0.212 0.000 1.072 405 L CA 2.111 56.963 54.840 0.021 0.000 0.755 405 L CB -1.090 40.901 42.059 -0.113 0.000 0.889 405 L HN 0.017 nan 8.230 nan 0.000 0.432 406 A N -0.832 122.115 122.820 0.212 0.000 1.933 406 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 406 A C 2.341 179.757 177.584 -0.279 0.000 1.175 406 A CA 1.432 53.558 52.037 0.150 0.000 0.628 406 A CB -1.498 17.582 19.000 0.135 0.000 0.814 406 A HN 0.551 nan 8.150 nan 0.000 0.444 407 G N -0.463 107.994 108.800 -0.571 0.000 2.432 407 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.219 407 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.219 407 G C 1.298 176.083 174.900 -0.192 0.000 1.135 407 G CA 1.062 45.874 45.100 -0.480 0.000 0.767 407 G HN 0.358 nan 8.290 nan 0.000 0.550 408 L N -0.467 120.634 121.223 -0.204 0.000 2.191 408 L HA 0.166 4.506 4.340 -0.000 0.000 0.212 408 L C 2.232 178.796 176.870 -0.509 0.000 1.103 408 L CA 1.176 55.785 54.840 -0.385 0.000 0.769 408 L CB -0.620 41.097 42.059 -0.570 0.000 0.908 408 L HN 0.290 nan 8.230 nan 0.000 0.438 409 F N -1.986 117.918 119.950 -0.076 0.000 2.582 409 F HA 0.018 4.545 4.527 -0.000 0.000 0.290 409 F C 2.460 178.252 175.800 -0.013 0.000 1.115 409 F CA 0.632 58.610 58.000 -0.036 0.000 1.445 409 F CB -0.702 38.280 39.000 -0.030 0.000 1.126 409 F HN 0.013 nan 8.300 nan 0.000 0.574 410 S N 0.529 116.300 115.700 0.118 0.000 2.371 410 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 410 S C 2.027 176.685 174.600 0.098 0.000 1.029 410 S CA 0.737 59.012 58.200 0.124 0.000 0.978 410 S CB -0.627 62.695 63.200 0.204 0.000 0.833 410 S HN 0.275 nan 8.310 nan 0.000 0.466 411 R N 2.327 122.863 120.500 0.061 0.000 2.136 411 R HA -0.128 4.212 4.340 -0.000 0.000 0.242 411 R C -0.708 175.629 176.300 0.061 0.000 1.131 411 R CA 2.446 58.580 56.100 0.057 0.000 0.937 411 R CB -1.367 28.951 30.300 0.031 0.000 0.863 411 R HN 0.399 nan 8.270 nan 0.000 0.435 412 P HA -0.160 nan 4.420 nan 0.000 0.218 412 P C 1.280 178.625 177.300 0.075 0.000 1.149 412 P CA 1.405 64.546 63.100 0.069 0.000 0.817 412 P CB -0.081 31.666 31.700 0.078 0.000 0.785 413 L N -0.718 120.556 121.223 0.084 0.000 2.109 413 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 413 L C 2.954 179.864 176.870 0.067 0.000 1.086 413 L CA 1.164 56.051 54.840 0.079 0.000 0.760 413 L CB -0.567 41.544 42.059 0.087 0.000 0.910 413 L HN -0.131 nan 8.230 nan 0.000 0.437 414 R N -0.195 120.347 120.500 0.071 0.000 2.120 414 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 414 R C 2.245 178.576 176.300 0.051 0.000 1.123 414 R CA 1.131 57.269 56.100 0.063 0.000 0.975 414 R CB -0.462 29.881 30.300 0.073 0.000 0.866 414 R HN 0.382 nan 8.270 nan 0.000 0.446 415 R N 1.136 121.667 120.500 0.052 0.000 2.062 415 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 415 R C 2.427 178.749 176.300 0.038 0.000 1.125 415 R CA 1.075 57.201 56.100 0.043 0.000 0.966 415 R CB -0.125 30.201 30.300 0.044 0.000 0.861 415 R HN 0.058 nan 8.270 nan 0.000 0.433 416 R N 0.264 120.789 120.500 0.042 0.000 2.105 416 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 416 R C 1.964 178.281 176.300 0.030 0.000 1.135 416 R CA 1.654 57.776 56.100 0.036 0.000 0.967 416 R CB -0.302 30.025 30.300 0.044 0.000 0.861 416 R HN 0.299 nan 8.270 nan 0.000 0.442 417 A N 1.167 124.007 122.820 0.034 0.000 1.858 417 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 417 A C 1.999 179.598 177.584 0.024 0.000 1.190 417 A CA 1.033 53.088 52.037 0.029 0.000 0.617 417 A CB -0.671 18.348 19.000 0.033 0.000 0.827 417 A HN 0.339 nan 8.150 nan 0.000 0.443 418 L N -0.461 120.778 121.223 0.027 0.000 2.349 418 L HA -0.044 4.296 4.340 -0.000 0.000 0.220 418 L C 1.250 178.131 176.870 0.019 0.000 1.130 418 L CA 1.417 56.272 54.840 0.024 0.000 0.791 418 L CB -0.638 41.437 42.059 0.027 0.000 0.918 418 L HN 0.444 nan 8.230 nan 0.000 0.444 419 L N -0.762 120.472 121.223 0.018 0.000 3.017 419 L HA 0.325 4.665 4.340 -0.000 0.000 0.255 419 L C -0.428 176.448 176.870 0.010 0.000 1.247 419 L CA -0.425 54.423 54.840 0.013 0.000 1.038 419 L CB -0.549 41.517 42.059 0.013 0.000 1.380 419 L HN 0.339 nan 8.230 nan 0.000 0.548 420 N N 0.000 118.706 118.700 0.011 0.000 1.763 420 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 420 N CA 0.000 53.054 53.050 0.008 0.000 0.885 420 N CB 0.000 38.490 38.487 0.005 0.000 1.341 420 N HN 0.000 nan 8.380 nan 0.000 0.667