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 3aeq_1_A 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 ALLNG 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 0.000 174.441 174.700 -0.432 0.000 1.109 7 T CA 0.000 61.962 62.100 -0.229 0.000 1.349 7 T CB 0.000 68.793 68.868 -0.125 0.000 0.612 8 F N 2.306 122.251 119.950 -0.008 0.000 2.538 8 F HA 0.836 5.363 4.527 -0.000 0.000 0.325 8 F C 1.050 176.846 175.800 -0.005 0.000 1.066 8 F CA 0.061 58.057 58.000 -0.008 0.000 0.946 8 F CB 2.513 41.510 39.000 -0.005 0.000 1.199 8 F HN 1.047 nan 8.300 nan 0.000 0.473 9 G N 0.494 109.408 108.800 0.190 0.000 2.881 9 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.597 9 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.597 9 G C -0.740 174.195 174.900 0.058 0.000 1.188 9 G CA -1.086 44.077 45.100 0.104 0.000 1.218 9 G HN 0.852 nan 8.290 nan 0.000 0.544 10 C N 2.369 121.702 119.300 0.055 0.000 2.780 10 C HA 0.251 4.711 4.460 -0.000 0.000 0.287 10 C C 2.573 177.578 174.990 0.025 0.000 1.288 10 C CA 0.725 59.761 59.018 0.030 0.000 1.713 10 C CB -1.331 26.425 27.740 0.027 0.000 1.955 10 C HN 0.926 nan 8.230 nan 0.000 0.613 11 T N -1.742 112.830 114.554 0.030 0.000 2.929 11 T HA -0.141 4.209 4.350 -0.000 0.000 0.271 11 T C 0.999 175.708 174.700 0.016 0.000 1.085 11 T CA 1.592 63.707 62.100 0.026 0.000 1.125 11 T CB -0.072 68.812 68.868 0.027 0.000 0.874 11 T HN 0.383 nan 8.240 nan 0.000 0.494 12 D N 0.875 121.282 120.400 0.011 0.000 2.338 12 D HA 0.190 4.830 4.640 -0.000 0.000 0.208 12 D C 0.529 176.829 176.300 -0.001 0.000 0.997 12 D CA 0.117 54.120 54.000 0.004 0.000 0.880 12 D CB 0.009 40.811 40.800 0.003 0.000 0.980 12 D HN 0.256 nan 8.370 nan 0.000 0.509 13 S N 2.928 118.627 115.700 -0.002 0.000 2.563 13 S HA 0.062 4.532 4.470 -0.000 0.000 0.294 13 S C -2.237 172.356 174.600 -0.012 0.000 1.279 13 S CA -0.632 57.563 58.200 -0.009 0.000 1.069 13 S CB 0.547 63.740 63.200 -0.012 0.000 0.828 13 S HN 0.162 nan 8.310 nan 0.000 0.497 14 P HA 0.111 nan 4.420 nan 0.000 0.271 14 P C -0.387 176.900 177.300 -0.022 0.000 1.233 14 P CA -0.227 62.864 63.100 -0.016 0.000 0.764 14 P CB 0.577 32.269 31.700 -0.015 0.000 0.825 15 V N 5.044 124.943 119.914 -0.026 0.000 2.465 15 V HA 0.241 4.361 4.120 -0.000 0.000 0.279 15 V C 0.559 176.634 176.094 -0.032 0.000 1.045 15 V CA -0.921 61.359 62.300 -0.033 0.000 0.938 15 V CB 0.634 32.434 31.823 -0.039 0.000 0.986 15 V HN 0.531 nan 8.190 nan 0.000 0.467 16 R N 6.616 127.098 120.500 -0.031 0.000 2.351 16 R HA 0.262 4.602 4.340 -0.000 0.000 0.318 16 R C -0.431 175.855 176.300 -0.022 0.000 1.055 16 R CA -0.456 55.630 56.100 -0.022 0.000 0.968 16 R CB 0.261 30.550 30.300 -0.018 0.000 0.974 16 R HN 0.717 nan 8.270 nan 0.000 0.439 17 R N 3.803 124.292 120.500 -0.019 0.000 2.254 17 R HA 0.218 4.558 4.340 -0.000 0.000 0.318 17 R C -0.465 175.834 176.300 -0.001 0.000 1.031 17 R CA -0.233 55.857 56.100 -0.017 0.000 0.905 17 R CB 1.232 31.518 30.300 -0.022 0.000 1.050 17 R HN 0.713 nan 8.270 nan 0.000 0.456 18 E N 2.445 122.650 120.200 0.008 0.000 2.352 18 E HA 0.424 4.774 4.350 -0.000 0.000 0.280 18 E C -1.284 175.334 176.600 0.031 0.000 0.930 18 E CA -0.840 55.573 56.400 0.021 0.000 0.765 18 E CB 1.784 31.499 29.700 0.026 0.000 1.219 18 E HN 0.570 nan 8.360 nan 0.000 0.434 19 R N 1.537 122.057 120.500 0.032 0.000 2.739 19 R HA 0.928 5.267 4.340 -0.000 0.000 0.271 19 R C -0.066 176.254 176.300 0.033 0.000 1.010 19 R CA -0.283 55.838 56.100 0.036 0.000 0.897 19 R CB 1.465 31.786 30.300 0.034 0.000 1.236 19 R HN 0.753 nan 8.270 nan 0.000 0.466 20 G N -0.191 108.628 108.800 0.032 0.000 2.334 20 G HA2 0.010 3.970 3.960 -0.000 0.000 0.249 20 G HA3 0.010 3.970 3.960 -0.000 0.000 0.249 20 G C -1.500 173.414 174.900 0.023 0.000 1.327 20 G CA -1.047 44.069 45.100 0.027 0.000 0.979 20 G HN 0.598 nan 8.290 nan 0.000 0.471 21 Q N 0.767 120.578 119.800 0.018 0.000 2.269 21 Q HA 0.188 4.527 4.340 -0.000 0.000 0.300 21 Q C -0.471 175.533 176.000 0.008 0.000 1.070 21 Q CA 0.930 56.737 55.803 0.007 0.000 0.957 21 Q CB 0.194 28.932 28.738 0.001 0.000 1.131 21 Q HN 0.352 nan 8.270 nan 0.000 0.377 22 K N 1.802 122.199 120.400 -0.005 0.000 2.463 22 K HA 0.440 4.760 4.320 -0.000 0.000 0.255 22 K C -1.216 175.352 176.600 -0.053 0.000 0.942 22 K CA -0.435 55.847 56.287 -0.008 0.000 0.814 22 K CB 1.852 34.359 32.500 0.013 0.000 1.122 22 K HN 0.557 nan 8.250 nan 0.000 0.425 23 A N 3.486 126.260 122.820 -0.076 0.000 2.910 23 A HA 0.444 4.764 4.320 -0.000 0.000 0.316 23 A C -0.225 177.252 177.584 -0.179 0.000 1.493 23 A CA -0.458 51.486 52.037 -0.154 0.000 1.150 23 A CB -0.401 18.491 19.000 -0.180 0.000 1.159 23 A HN 0.459 nan 8.150 nan 0.000 0.526 24 V N -1.896 117.898 119.914 -0.200 0.000 3.159 24 V HA 0.835 4.955 4.120 -0.000 0.000 0.308 24 V C -0.856 175.069 176.094 -0.281 0.000 1.190 24 V CA -1.297 60.892 62.300 -0.184 0.000 1.037 24 V CB 1.333 33.155 31.823 -0.002 0.000 1.060 24 V HN 0.356 nan 8.190 nan 0.000 0.437 25 F N 1.510 121.405 119.950 -0.092 0.000 2.377 25 F HA 0.711 5.238 4.527 -0.000 0.000 0.328 25 F C 1.206 177.046 175.800 0.067 0.000 1.094 25 F CA 0.076 58.048 58.000 -0.047 0.000 1.093 25 F CB 1.006 39.926 39.000 -0.133 0.000 1.214 25 F HN 1.048 nan 8.300 nan 0.000 0.518 26 C N 0.335 119.803 119.300 0.281 0.000 2.470 26 C HA 0.578 5.038 4.460 -0.000 0.000 0.350 26 C C 1.849 176.958 174.990 0.197 0.000 1.341 26 C CA -0.172 58.960 59.018 0.189 0.000 2.440 26 C CB 0.233 28.044 27.740 0.117 0.000 2.295 26 C HN 1.027 nan 8.230 nan 0.000 0.645 27 G N 0.051 108.924 108.800 0.121 0.000 2.442 27 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.219 27 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.219 27 G C 1.204 176.101 174.900 -0.006 0.000 1.141 27 G CA 1.086 46.225 45.100 0.064 0.000 0.763 27 G HN 0.745 nan 8.290 nan 0.000 0.554 28 L N 1.605 122.828 121.223 -0.001 0.000 2.151 28 L HA -0.229 4.111 4.340 -0.000 0.000 0.219 28 L C 3.234 179.994 176.870 -0.184 0.000 1.083 28 L CA 2.494 57.287 54.840 -0.078 0.000 0.782 28 L CB -1.077 40.957 42.059 -0.041 0.000 0.891 28 L HN 0.490 nan 8.230 nan 0.000 0.439 29 T N -4.347 110.146 114.554 -0.102 0.000 3.051 29 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 29 T C 1.938 176.404 174.700 -0.390 0.000 1.127 29 T CA 0.867 62.877 62.100 -0.149 0.000 1.107 29 T CB -0.668 68.206 68.868 0.011 0.000 0.898 29 T HN 0.501 nan 8.240 nan 0.000 0.517 30 S N 1.936 117.231 115.700 -0.674 0.000 2.419 30 S HA -0.080 4.390 4.470 -0.000 0.000 0.235 30 S C 1.901 175.621 174.600 -1.467 0.000 1.019 30 S CA 0.779 58.018 58.200 -1.601 0.000 0.982 30 S CB -0.967 61.595 63.200 -1.063 0.000 0.789 30 S HN 0.554 nan 8.310 nan 0.000 0.490 31 I N 1.544 121.547 120.570 -0.945 0.000 2.335 31 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 31 I C 2.319 178.000 176.117 -0.727 0.000 1.129 31 I CA 0.873 61.570 61.300 -1.005 0.000 1.402 31 I CB -0.431 37.047 38.000 -0.871 0.000 1.069 31 I HN 0.200 nan 8.210 nan 0.000 0.424 32 V N 0.219 119.813 119.914 -0.533 0.000 2.490 32 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 32 V C 1.972 178.170 176.094 0.173 0.000 1.061 32 V CA 2.290 64.543 62.300 -0.079 0.000 1.064 32 V CB -0.778 31.099 31.823 0.090 0.000 0.670 32 V HN 0.806 nan 8.190 nan 0.000 0.461 33 W N -1.748 119.461 121.300 -0.151 0.000 2.792 33 W HA 0.328 4.988 4.660 -0.000 0.000 0.262 33 W C 1.640 177.931 176.519 -0.379 0.000 1.212 33 W CA -0.101 56.994 57.345 -0.417 0.000 1.433 33 W CB -0.928 28.033 29.460 -0.832 0.000 1.004 33 W HN 0.039 nan 8.180 nan 0.000 0.608 34 L N 2.322 123.028 121.223 -0.862 0.000 2.012 34 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 34 L C 2.973 179.630 176.870 -0.355 0.000 1.073 34 L CA 2.711 57.168 54.840 -0.637 0.000 0.748 34 L CB -1.565 39.938 42.059 -0.927 0.000 0.891 34 L HN 0.505 nan 8.230 nan 0.000 0.431 35 H N -2.314 116.473 119.070 -0.473 0.000 2.456 35 H HA -0.055 4.501 4.556 -0.000 0.000 0.296 35 H C 2.004 177.362 175.328 0.050 0.000 1.079 35 H CA 0.969 56.964 56.048 -0.088 0.000 1.322 35 H CB -0.130 29.594 29.762 -0.063 0.000 1.388 35 H HN 0.121 nan 8.280 nan 0.000 0.538 36 R N 0.806 120.880 120.500 -0.709 0.000 2.081 36 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 36 R C 2.241 178.457 176.300 -0.140 0.000 1.131 36 R CA 1.641 57.489 56.100 -0.420 0.000 0.960 36 R CB -0.395 29.729 30.300 -0.293 0.000 0.856 36 R HN 0.460 nan 8.270 nan 0.000 0.436 37 K N -0.041 120.302 120.400 -0.095 0.000 2.098 37 K HA 0.078 4.398 4.320 -0.000 0.000 0.203 37 K C 0.579 177.197 176.600 0.029 0.000 1.051 37 K CA 0.595 56.867 56.287 -0.026 0.000 0.957 37 K CB 0.133 32.621 32.500 -0.020 0.000 0.738 37 K HN -0.049 nan 8.250 nan 0.000 0.447 38 M N 2.141 121.790 119.600 0.081 0.000 2.193 38 M HA 0.054 4.534 4.480 -0.000 0.000 0.342 38 M C 0.413 176.816 176.300 0.172 0.000 1.413 38 M CA 0.136 55.524 55.300 0.147 0.000 1.191 38 M CB 1.342 34.086 32.600 0.240 0.000 1.633 38 M HN 0.165 nan 8.290 nan 0.000 0.458 39 Q N 1.335 121.208 119.800 0.122 0.000 2.311 39 Q HA -0.082 4.258 4.340 -0.000 0.000 0.203 39 Q C 0.214 176.298 176.000 0.139 0.000 0.954 39 Q CA 0.836 56.710 55.803 0.119 0.000 0.885 39 Q CB 0.385 29.171 28.738 0.079 0.000 0.963 39 Q HN 0.717 nan 8.270 nan 0.000 0.471 40 D N -1.000 119.478 120.400 0.130 0.000 2.891 40 D HA 0.303 4.943 4.640 -0.000 0.000 0.332 40 D C -0.552 175.817 176.300 0.115 0.000 1.369 40 D CA -0.181 53.888 54.000 0.115 0.000 0.827 40 D CB 0.433 41.274 40.800 0.069 0.000 1.141 40 D HN -0.006 nan 8.370 nan 0.000 0.464 41 A N 0.275 123.206 122.820 0.185 0.000 2.330 41 A HA 0.730 5.050 4.320 -0.000 0.000 0.329 41 A C -1.522 176.216 177.584 0.257 0.000 1.135 41 A CA -0.753 51.386 52.037 0.168 0.000 0.817 41 A CB 1.719 20.875 19.000 0.259 0.000 1.269 41 A HN 0.252 nan 8.150 nan 0.000 0.469 42 F N 0.240 120.170 119.950 -0.033 0.000 2.569 42 F HA 0.698 5.225 4.527 -0.000 0.000 0.312 42 F C -1.750 174.017 175.800 -0.055 0.000 1.109 42 F CA -0.999 57.041 58.000 0.067 0.000 0.919 42 F CB 1.687 40.709 39.000 0.036 0.000 1.211 42 F HN 0.414 nan 8.300 nan 0.000 0.446 43 F N 7.093 126.901 119.950 -0.237 0.000 2.325 43 F HA 0.450 4.977 4.527 -0.000 0.000 0.369 43 F C -0.730 175.070 175.800 0.001 0.000 1.095 43 F CA -0.815 57.192 58.000 0.011 0.000 1.082 43 F CB 1.296 40.264 39.000 -0.054 0.000 1.289 43 F HN 0.225 nan 8.300 nan 0.000 0.462 44 L N 5.269 126.693 121.223 0.335 0.000 2.264 44 L HA 0.541 4.881 4.340 -0.000 0.000 0.287 44 L C -0.731 176.241 176.870 0.170 0.000 1.039 44 L CA -0.408 54.625 54.840 0.322 0.000 0.829 44 L CB 0.749 43.001 42.059 0.323 0.000 1.211 44 L HN 0.300 nan 8.230 nan 0.000 0.427 45 V N 6.276 126.271 119.914 0.135 0.000 2.432 45 V HA 0.215 4.335 4.120 -0.000 0.000 0.271 45 V C 0.056 176.187 176.094 0.062 0.000 1.046 45 V CA -0.538 61.797 62.300 0.058 0.000 0.945 45 V CB 1.372 33.216 31.823 0.036 0.000 0.992 45 V HN 0.464 nan 8.190 nan 0.000 0.471 46 V N 6.028 125.964 119.914 0.036 0.000 2.304 46 V HA 0.752 4.872 4.120 -0.000 0.000 0.262 46 V C 0.761 176.872 176.094 0.028 0.000 1.061 46 V CA 0.490 62.813 62.300 0.038 0.000 0.872 46 V CB 0.171 32.015 31.823 0.034 0.000 1.077 46 V HN 1.033 nan 8.190 nan 0.000 0.480 47 G N 3.189 112.009 108.800 0.034 0.000 2.846 47 G HA2 0.642 4.602 3.960 -0.000 0.000 0.299 47 G HA3 0.642 4.602 3.960 -0.000 0.000 0.299 47 G C -0.381 174.538 174.900 0.033 0.000 1.242 47 G CA 0.169 45.287 45.100 0.030 0.000 0.800 47 G HN 0.666 nan 8.290 nan 0.000 0.538 48 S N -1.063 114.656 115.700 0.032 0.000 2.666 48 S HA 0.372 4.842 4.470 -0.000 0.000 0.279 48 S C 1.453 176.077 174.600 0.040 0.000 1.149 48 S CA 0.068 58.286 58.200 0.030 0.000 1.020 48 S CB 1.690 64.904 63.200 0.024 0.000 1.127 48 S HN 0.776 nan 8.310 nan 0.000 0.537 49 R N -0.209 120.310 120.500 0.033 0.000 2.120 49 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 49 R C 1.921 178.259 176.300 0.065 0.000 1.123 49 R CA 1.840 57.964 56.100 0.040 0.000 0.975 49 R CB -1.204 29.104 30.300 0.012 0.000 0.866 49 R HN 0.815 nan 8.270 nan 0.000 0.446 50 T N 0.342 114.926 114.554 0.051 0.000 2.635 50 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 50 T C 2.009 176.774 174.700 0.107 0.000 1.040 50 T CA 1.696 63.845 62.100 0.082 0.000 1.156 50 T CB -0.526 68.373 68.868 0.052 0.000 0.863 50 T HN 0.420 nan 8.240 nan 0.000 0.430 51 C N 1.753 121.096 119.300 0.072 0.000 2.398 51 C HA -0.042 4.418 4.460 -0.000 0.000 0.276 51 C C 3.251 178.282 174.990 0.067 0.000 1.222 51 C CA 0.414 59.467 59.018 0.059 0.000 1.746 51 C CB -1.592 26.174 27.740 0.043 0.000 2.039 51 C HN 0.676 nan 8.230 nan 0.000 0.470 52 A N -0.903 121.970 122.820 0.088 0.000 1.930 52 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 52 A C 2.109 179.764 177.584 0.119 0.000 1.175 52 A CA 1.736 53.834 52.037 0.103 0.000 0.627 52 A CB -1.058 18.002 19.000 0.100 0.000 0.815 52 A HN 0.828 nan 8.150 nan 0.000 0.443 53 H N -0.607 118.479 119.070 0.027 0.000 2.321 53 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 53 H C 2.106 177.446 175.328 0.021 0.000 1.087 53 H CA 1.763 57.824 56.048 0.021 0.000 1.319 53 H CB -0.083 29.689 29.762 0.017 0.000 1.379 53 H HN 0.399 nan 8.280 nan 0.000 0.501 54 L N 1.137 122.378 121.223 0.031 0.000 1.956 54 L HA -0.212 4.128 4.340 -0.000 0.000 0.216 54 L C 2.521 179.351 176.870 -0.066 0.000 1.073 54 L CA 1.619 56.449 54.840 -0.016 0.000 0.762 54 L CB -0.985 41.106 42.059 0.053 0.000 0.889 54 L HN 0.259 nan 8.230 nan 0.000 0.433 55 L N -0.592 120.597 121.223 -0.057 0.000 2.081 55 L HA -0.299 4.041 4.340 -0.000 0.000 0.212 55 L C 2.819 179.659 176.870 -0.051 0.000 1.080 55 L CA 1.962 56.735 54.840 -0.112 0.000 0.754 55 L CB -0.625 41.371 42.059 -0.106 0.000 0.893 55 L HN 0.608 nan 8.230 nan 0.000 0.433 56 Q N -0.261 119.521 119.800 -0.030 0.000 2.050 56 Q HA -0.239 4.100 4.340 -0.000 0.000 0.202 56 Q C 2.257 178.178 176.000 -0.131 0.000 0.980 56 Q CA 1.843 57.610 55.803 -0.061 0.000 0.840 56 Q CB -0.073 28.627 28.738 -0.064 0.000 0.898 56 Q HN 0.530 nan 8.270 nan 0.000 0.424 57 A N 0.784 123.489 122.820 -0.191 0.000 1.898 57 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 57 A C 2.286 179.791 177.584 -0.132 0.000 1.181 57 A CA 1.657 53.583 52.037 -0.185 0.000 0.620 57 A CB -0.999 17.856 19.000 -0.241 0.000 0.819 57 A HN 0.569 nan 8.150 nan 0.000 0.442 58 A N 0.009 122.752 122.820 -0.128 0.000 1.858 58 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 58 A C 2.546 180.053 177.584 -0.129 0.000 1.190 58 A CA 2.330 54.276 52.037 -0.153 0.000 0.617 58 A CB -1.212 17.679 19.000 -0.181 0.000 0.827 58 A HN 1.136 nan 8.150 nan 0.000 0.443 59 A N -1.602 121.167 122.820 -0.086 0.000 1.978 59 A HA 0.283 4.603 4.320 -0.000 0.000 0.220 59 A C 2.377 179.931 177.584 -0.051 0.000 1.170 59 A CA 2.002 54.033 52.037 -0.010 0.000 0.636 59 A CB -1.408 17.669 19.000 0.128 0.000 0.810 59 A HN 2.069 nan 8.150 nan 0.000 0.448 60 G N -1.363 107.379 108.800 -0.096 0.000 2.602 60 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.310 60 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.310 60 G C 1.199 176.032 174.900 -0.112 0.000 1.183 60 G CA 2.216 47.261 45.100 -0.092 0.000 0.979 60 G HN 1.393 nan 8.290 nan 0.000 0.545 61 V N -0.591 119.330 119.914 0.013 0.000 3.217 61 V HA 0.221 4.340 4.120 -0.000 0.000 0.264 61 V C 2.690 178.852 176.094 0.113 0.000 1.135 61 V CA 2.500 64.896 62.300 0.161 0.000 1.142 61 V CB -0.492 31.463 31.823 0.220 0.000 0.754 61 V HN 0.615 nan 8.190 nan 0.000 0.484 62 M N -0.034 119.596 119.600 0.051 0.000 2.159 62 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 62 M C 2.094 178.398 176.300 0.006 0.000 1.063 62 M CA 1.880 57.241 55.300 0.101 0.000 1.110 62 M CB -0.225 32.491 32.600 0.193 0.000 1.374 62 M HN 0.379 nan 8.290 nan 0.000 0.411 63 I N 0.439 120.914 120.570 -0.159 0.000 2.229 63 I HA -0.323 3.847 4.170 -0.000 0.000 0.250 63 I C 1.277 177.208 176.117 -0.310 0.000 1.096 63 I CA 1.836 62.942 61.300 -0.323 0.000 1.358 63 I CB -0.326 37.367 38.000 -0.510 0.000 1.047 63 I HN 0.243 nan 8.210 nan 0.000 0.422 64 F N 0.203 120.161 119.950 0.013 0.000 2.802 64 F HA 0.208 4.735 4.527 -0.000 0.000 0.300 64 F C 1.786 177.591 175.800 0.008 0.000 1.168 64 F CA 0.491 58.495 58.000 0.007 0.000 1.433 64 F CB -0.840 38.168 39.000 0.014 0.000 1.115 64 F HN 0.055 nan 8.300 nan 0.000 0.582 65 A N 0.302 123.198 122.820 0.126 0.000 3.106 65 A HA 0.295 4.615 4.320 -0.000 0.000 0.306 65 A C 0.358 177.972 177.584 0.050 0.000 1.192 65 A CA -0.432 51.666 52.037 0.103 0.000 0.994 65 A CB -0.790 18.283 19.000 0.123 0.000 1.107 65 A HN 0.263 nan 8.150 nan 0.000 0.585 66 E N -0.008 120.200 120.200 0.014 0.000 2.103 66 E HA -0.175 4.175 4.350 -0.000 0.000 0.186 66 E C -2.165 174.405 176.600 -0.050 0.000 1.392 66 E CA 0.674 57.065 56.400 -0.016 0.000 0.691 66 E CB -1.923 27.795 29.700 0.030 0.000 1.068 66 E HN 0.649 nan 8.360 nan 0.000 0.328 67 P HA 0.074 nan 4.420 nan 0.000 0.272 67 P C 0.157 177.262 177.300 -0.324 0.000 1.223 67 P CA -0.150 62.794 63.100 -0.260 0.000 0.784 67 P CB 0.585 31.935 31.700 -0.583 0.000 0.923 68 R N 1.597 122.013 120.500 -0.140 0.000 4.464 68 R HA 0.240 4.580 4.340 -0.000 0.000 0.229 68 R C -0.060 175.841 176.300 -0.665 0.000 1.916 68 R CA 0.066 56.129 56.100 -0.062 0.000 1.601 68 R CB -1.033 29.434 30.300 0.278 0.000 1.315 68 R HN 0.518 nan 8.270 nan 0.000 0.725 69 F N -3.121 116.273 119.950 -0.926 0.000 2.662 69 F HA 0.841 5.368 4.527 -0.000 0.000 0.312 69 F C -0.296 175.193 175.800 -0.518 0.000 1.113 69 F CA -1.196 56.176 58.000 -1.046 0.000 0.951 69 F CB 1.319 39.992 39.000 -0.545 0.000 1.344 69 F HN -0.048 nan 8.300 nan 0.000 0.462 70 G N -0.104 108.718 108.800 0.036 0.000 2.623 70 G HA2 0.534 4.494 3.960 -0.000 0.000 0.290 70 G HA3 0.534 4.494 3.960 -0.000 0.000 0.290 70 G C -2.120 172.937 174.900 0.263 0.000 1.437 70 G CA -0.959 44.278 45.100 0.228 0.000 0.798 70 G HN 0.731 nan 8.290 nan 0.000 0.488 71 T N 0.754 115.424 114.554 0.193 0.000 2.779 71 T HA 0.608 4.958 4.350 -0.000 0.000 0.280 71 T C 0.308 175.079 174.700 0.118 0.000 0.987 71 T CA 0.108 62.294 62.100 0.143 0.000 0.966 71 T CB 1.415 70.350 68.868 0.112 0.000 0.933 71 T HN 1.054 nan 8.240 nan 0.000 0.442 72 A N 3.431 126.315 122.820 0.106 0.000 2.437 72 A HA 0.526 4.846 4.320 -0.000 0.000 0.303 72 A C 0.397 178.016 177.584 0.058 0.000 1.324 72 A CA -0.535 51.548 52.037 0.076 0.000 0.983 72 A CB -0.230 18.813 19.000 0.071 0.000 1.142 72 A HN 0.752 nan 8.150 nan 0.000 0.541 73 V N 5.418 125.362 119.914 0.050 0.000 2.407 73 V HA 0.430 4.550 4.120 -0.000 0.000 0.278 73 V C -0.292 175.819 176.094 0.029 0.000 1.037 73 V CA -0.982 61.342 62.300 0.041 0.000 0.900 73 V CB 0.814 32.662 31.823 0.043 0.000 0.983 73 V HN 0.616 nan 8.190 nan 0.000 0.459 74 L N 6.906 128.144 121.223 0.025 0.000 2.615 74 L HA 0.253 4.593 4.340 -0.000 0.000 0.271 74 L C 0.846 177.724 176.870 0.013 0.000 1.183 74 L CA 0.823 55.673 54.840 0.017 0.000 0.933 74 L CB -0.724 41.344 42.059 0.015 0.000 1.199 74 L HN 0.774 nan 8.230 nan 0.000 0.487 75 E N 2.064 122.270 120.200 0.010 0.000 2.359 75 E HA 0.071 4.421 4.350 -0.000 0.000 0.255 75 E C 0.515 177.118 176.600 0.004 0.000 1.191 75 E CA -0.609 55.795 56.400 0.007 0.000 0.952 75 E CB 0.791 30.495 29.700 0.006 0.000 1.152 75 E HN 0.437 nan 8.360 nan 0.000 0.496 76 E N 1.101 121.302 120.200 0.002 0.000 2.038 76 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 76 E C 2.032 178.632 176.600 -0.002 0.000 1.000 76 E CA 1.939 58.339 56.400 -0.000 0.000 0.803 76 E CB -0.108 29.591 29.700 -0.001 0.000 0.750 76 E HN 0.549 nan 8.360 nan 0.000 0.448 77 Q N -0.039 119.760 119.800 -0.002 0.000 2.368 77 Q HA -0.205 4.135 4.340 -0.000 0.000 0.210 77 Q C 0.691 176.687 176.000 -0.007 0.000 0.982 77 Q CA 1.591 57.392 55.803 -0.004 0.000 0.884 77 Q CB -0.084 28.652 28.738 -0.004 0.000 0.933 77 Q HN 0.254 nan 8.270 nan 0.000 0.460 78 D N 0.791 121.188 120.400 -0.005 0.000 2.323 78 D HA 0.067 4.707 4.640 -0.000 0.000 0.209 78 D C 1.693 177.988 176.300 -0.010 0.000 0.973 78 D CA 0.429 54.424 54.000 -0.008 0.000 0.874 78 D CB 0.242 41.041 40.800 -0.003 0.000 0.930 78 D HN 0.354 nan 8.370 nan 0.000 0.521 79 L N 0.318 121.537 121.223 -0.007 0.000 2.509 79 L HA 0.204 4.544 4.340 -0.000 0.000 0.222 79 L C 1.273 178.138 176.870 -0.009 0.000 1.123 79 L CA -0.257 54.580 54.840 -0.006 0.000 0.856 79 L CB -0.230 41.828 42.059 -0.003 0.000 0.985 79 L HN -0.164 nan 8.230 nan 0.000 0.456 80 A N 0.464 123.277 122.820 -0.010 0.000 2.448 80 A HA 0.346 4.666 4.320 -0.000 0.000 0.239 80 A C 1.388 178.963 177.584 -0.016 0.000 1.080 80 A CA 0.473 52.503 52.037 -0.011 0.000 0.779 80 A CB 0.207 19.200 19.000 -0.011 0.000 1.026 80 A HN 0.309 nan 8.150 nan 0.000 0.499 81 G N -0.525 108.267 108.800 -0.014 0.000 2.985 81 G HA2 0.234 4.194 3.960 -0.000 0.000 0.209 81 G HA3 0.234 4.194 3.960 -0.000 0.000 0.209 81 G C 0.835 175.724 174.900 -0.019 0.000 1.165 81 G CA 0.145 45.235 45.100 -0.015 0.000 0.776 81 G HN 0.499 nan 8.290 nan 0.000 0.541 82 L N 0.286 121.497 121.223 -0.020 0.000 2.425 82 L HA 0.379 4.719 4.340 -0.000 0.000 0.215 82 L C 1.827 178.677 176.870 -0.033 0.000 1.065 82 L CA 0.462 55.289 54.840 -0.023 0.000 0.842 82 L CB -0.730 41.319 42.059 -0.016 0.000 1.033 82 L HN 0.222 nan 8.230 nan 0.000 0.474 83 A N 1.254 124.055 122.820 -0.031 0.000 2.600 83 A HA -0.147 4.173 4.320 -0.000 0.000 0.244 83 A C 0.178 177.724 177.584 -0.062 0.000 1.016 83 A CA 0.521 52.536 52.037 -0.037 0.000 0.778 83 A CB -0.362 18.620 19.000 -0.029 0.000 0.920 83 A HN 0.274 nan 8.150 nan 0.000 0.513 84 D N 2.437 122.798 120.400 -0.065 0.000 2.313 84 D HA 0.473 5.113 4.640 -0.000 0.000 0.239 84 D C 1.112 177.339 176.300 -0.122 0.000 1.142 84 D CA 0.665 54.602 54.000 -0.105 0.000 0.847 84 D CB 1.468 42.228 40.800 -0.066 0.000 1.082 84 D HN 0.528 nan 8.370 nan 0.000 0.480 85 A N 4.889 127.574 122.820 -0.224 0.000 1.840 85 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 85 A C 1.715 179.254 177.584 -0.075 0.000 1.198 85 A CA 1.111 53.045 52.037 -0.171 0.000 0.608 85 A CB -0.559 18.314 19.000 -0.211 0.000 0.839 85 A HN 0.693 nan 8.150 nan 0.000 0.443 86 H N -0.102 118.971 119.070 0.003 0.000 2.319 86 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 86 H C 1.977 177.305 175.328 0.000 0.000 1.092 86 H CA 1.828 57.876 56.048 0.001 0.000 1.302 86 H CB -0.596 29.164 29.762 -0.004 0.000 1.373 86 H HN 0.577 nan 8.280 nan 0.000 0.497 87 K N 0.542 120.992 120.400 0.082 0.000 2.001 87 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 87 K C 2.333 178.950 176.600 0.029 0.000 1.048 87 K CA 1.403 57.717 56.287 0.045 0.000 0.932 87 K CB 0.203 32.715 32.500 0.020 0.000 0.715 87 K HN 0.038 nan 8.250 nan 0.000 0.437 88 E N 0.749 120.956 120.200 0.013 0.000 2.031 88 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 88 E C 1.862 178.475 176.600 0.023 0.000 0.994 88 E CA 1.333 57.739 56.400 0.011 0.000 0.800 88 E CB -0.470 29.229 29.700 -0.001 0.000 0.752 88 E HN 0.282 nan 8.360 nan 0.000 0.447 89 L N 0.914 122.156 121.223 0.032 0.000 2.046 89 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 89 L C 1.451 178.348 176.870 0.045 0.000 1.077 89 L CA 2.237 57.102 54.840 0.041 0.000 0.747 89 L CB -0.703 41.387 42.059 0.053 0.000 0.896 89 L HN 0.069 nan 8.230 nan 0.000 0.432 90 D N -0.687 119.744 120.400 0.052 0.000 2.117 90 D HA -0.182 4.458 4.640 -0.000 0.000 0.198 90 D C 2.253 178.583 176.300 0.050 0.000 0.982 90 D CA 1.048 55.081 54.000 0.055 0.000 0.828 90 D CB -0.302 40.525 40.800 0.046 0.000 0.967 90 D HN 0.312 nan 8.370 nan 0.000 0.464 91 R N 0.824 121.345 120.500 0.034 0.000 2.159 91 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 91 R C 1.577 177.890 176.300 0.021 0.000 1.131 91 R CA 1.027 57.142 56.100 0.025 0.000 0.982 91 R CB 0.127 30.437 30.300 0.017 0.000 0.868 91 R HN 0.211 nan 8.270 nan 0.000 0.453 92 E N -0.101 120.112 120.200 0.021 0.000 2.170 92 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 92 E C 1.959 178.556 176.600 -0.006 0.000 0.981 92 E CA 1.183 57.590 56.400 0.010 0.000 0.830 92 E CB 0.183 29.894 29.700 0.018 0.000 0.775 92 E HN 0.316 nan 8.360 nan 0.000 0.470 93 V N -0.770 119.149 119.914 0.008 0.000 2.591 93 V HA 0.062 4.182 4.120 -0.000 0.000 0.249 93 V C 2.133 178.201 176.094 -0.044 0.000 1.053 93 V CA 1.573 63.858 62.300 -0.026 0.000 1.068 93 V CB -0.194 31.630 31.823 0.002 0.000 0.689 93 V HN 0.117 nan 8.190 nan 0.000 0.462 94 A N -0.034 122.811 122.820 0.041 0.000 1.968 94 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 94 A C 2.363 179.943 177.584 -0.006 0.000 1.169 94 A CA 1.603 53.679 52.037 0.065 0.000 0.638 94 A CB -0.570 18.508 19.000 0.130 0.000 0.812 94 A HN 0.537 nan 8.150 nan 0.000 0.446 95 K N -0.550 119.840 120.400 -0.017 0.000 2.148 95 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 95 K C 1.856 178.413 176.600 -0.071 0.000 1.050 95 K CA 1.332 57.600 56.287 -0.032 0.000 0.942 95 K CB -0.214 32.273 32.500 -0.021 0.000 0.724 95 K HN 0.407 nan 8.250 nan 0.000 0.446 96 L N 1.297 122.453 121.223 -0.112 0.000 2.007 96 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 96 L C 1.988 178.730 176.870 -0.214 0.000 1.073 96 L CA 1.456 56.177 54.840 -0.199 0.000 0.744 96 L CB -0.438 41.444 42.059 -0.295 0.000 0.898 96 L HN 0.103 nan 8.230 nan 0.000 0.435 97 L N -0.466 120.629 121.223 -0.213 0.000 2.191 97 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 97 L C 2.602 179.408 176.870 -0.107 0.000 1.103 97 L CA 0.752 55.474 54.840 -0.198 0.000 0.769 97 L CB -0.836 41.042 42.059 -0.302 0.000 0.908 97 L HN 0.380 nan 8.230 nan 0.000 0.438 98 E N 1.197 121.349 120.200 -0.079 0.000 2.058 98 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 98 E C 2.261 178.833 176.600 -0.046 0.000 0.997 98 E CA 1.855 58.228 56.400 -0.045 0.000 0.801 98 E CB 0.000 29.683 29.700 -0.030 0.000 0.746 98 E HN 0.632 nan 8.360 nan 0.000 0.450 99 R N -0.000 120.465 120.500 -0.059 0.000 2.210 99 R HA 0.108 4.448 4.340 -0.000 0.000 0.203 99 R C 0.717 176.988 176.300 -0.048 0.000 1.010 99 R CA 0.388 56.459 56.100 -0.047 0.000 1.008 99 R CB 0.091 30.364 30.300 -0.045 0.000 0.923 99 R HN -0.150 nan 8.270 nan 0.000 0.469 100 R N 1.548 122.002 120.500 -0.077 0.000 2.790 100 R HA 0.234 4.574 4.340 -0.000 0.000 0.274 100 R C -2.288 174.000 176.300 -0.021 0.000 1.334 100 R CA -1.735 54.329 56.100 -0.060 0.000 1.543 100 R CB 1.165 31.388 30.300 -0.127 0.000 1.154 100 R HN 0.141 nan 8.270 nan 0.000 0.601 101 P HA -0.087 nan 4.420 nan 0.000 0.236 101 P C 0.726 178.122 177.300 0.161 0.000 1.177 101 P CA 0.698 63.846 63.100 0.079 0.000 0.773 101 P CB 0.228 31.930 31.700 0.004 0.000 0.878 102 D N -0.023 120.430 120.400 0.090 0.000 2.178 102 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 102 D C 0.764 177.108 176.300 0.073 0.000 0.974 102 D CA 0.493 54.547 54.000 0.091 0.000 0.841 102 D CB -0.609 40.235 40.800 0.074 0.000 0.953 102 D HN 0.196 nan 8.370 nan 0.000 0.478 103 I N 1.327 121.922 120.570 0.042 0.000 2.471 103 I HA 0.036 4.206 4.170 -0.000 0.000 0.286 103 I C 1.545 177.594 176.117 -0.115 0.000 1.079 103 I CA -0.219 61.084 61.300 0.005 0.000 1.398 103 I CB 1.032 39.042 38.000 0.018 0.000 1.403 103 I HN -0.192 nan 8.210 nan 0.000 0.530 104 R N 4.145 124.579 120.500 -0.110 0.000 2.369 104 R HA 0.237 4.577 4.340 -0.000 0.000 0.210 104 R C -0.155 176.058 176.300 -0.145 0.000 0.881 104 R CA 0.149 56.130 56.100 -0.198 0.000 1.031 104 R CB 0.312 30.526 30.300 -0.142 0.000 1.184 104 R HN 0.600 nan 8.270 nan 0.000 0.581 105 Q N 1.034 120.773 119.800 -0.100 0.000 2.331 105 Q HA 0.424 4.764 4.340 -0.000 0.000 0.267 105 Q C -1.462 174.390 176.000 -0.246 0.000 1.006 105 Q CA -0.692 55.016 55.803 -0.158 0.000 0.818 105 Q CB 2.488 31.117 28.738 -0.182 0.000 1.276 105 Q HN -0.131 nan 8.270 nan 0.000 0.450 106 L N 3.365 124.413 121.223 -0.292 0.000 2.319 106 L HA 0.529 4.869 4.340 -0.000 0.000 0.281 106 L C -1.756 174.922 176.870 -0.320 0.000 1.005 106 L CA -0.205 54.504 54.840 -0.219 0.000 0.828 106 L CB 0.665 42.653 42.059 -0.119 0.000 1.227 106 L HN 0.447 nan 8.230 nan 0.000 0.415 107 F N 5.688 125.584 119.950 -0.090 0.000 2.405 107 F HA 0.422 4.949 4.527 -0.000 0.000 0.355 107 F C 0.049 175.831 175.800 -0.031 0.000 1.121 107 F CA -0.476 57.490 58.000 -0.057 0.000 1.112 107 F CB 1.006 39.883 39.000 -0.205 0.000 1.126 107 F HN 0.227 nan 8.300 nan 0.000 0.481 108 L N 5.361 126.665 121.223 0.135 0.000 2.328 108 L HA 0.309 4.649 4.340 -0.000 0.000 0.280 108 L C -0.519 176.309 176.870 -0.070 0.000 1.111 108 L CA -0.665 54.207 54.840 0.053 0.000 0.909 108 L CB 0.108 42.197 42.059 0.050 0.000 1.277 108 L HN 0.311 nan 8.230 nan 0.000 0.433 109 V N 2.290 122.116 119.914 -0.146 0.000 2.470 109 V HA 0.212 4.332 4.120 -0.000 0.000 0.276 109 V C 1.161 177.147 176.094 -0.179 0.000 1.040 109 V CA -0.377 61.702 62.300 -0.370 0.000 1.008 109 V CB 0.941 32.566 31.823 -0.330 0.000 0.990 109 V HN 0.778 nan 8.190 nan 0.000 0.477 110 G N 3.947 112.646 108.800 -0.168 0.000 2.403 110 G HA2 0.490 4.450 3.960 -0.000 0.000 0.259 110 G HA3 0.490 4.450 3.960 -0.000 0.000 0.259 110 G C 0.147 175.026 174.900 -0.034 0.000 1.244 110 G CA 0.170 45.236 45.100 -0.056 0.000 0.849 110 G HN 0.939 nan 8.290 nan 0.000 0.532 111 S N 0.381 116.076 115.700 -0.007 0.000 2.715 111 S HA 0.309 4.779 4.470 -0.000 0.000 0.307 111 S C 1.361 175.972 174.600 0.018 0.000 1.119 111 S CA -0.370 57.834 58.200 0.007 0.000 0.937 111 S CB 1.189 64.395 63.200 0.011 0.000 1.150 111 S HN 0.559 nan 8.310 nan 0.000 0.521 112 C N 1.495 120.809 119.300 0.023 0.000 2.359 112 C HA -0.002 4.458 4.460 -0.000 0.000 0.277 112 C C -0.359 174.643 174.990 0.021 0.000 1.192 112 C CA 1.789 60.821 59.018 0.024 0.000 1.759 112 C CB -2.297 25.458 27.740 0.025 0.000 2.038 112 C HN 0.783 nan 8.230 nan 0.000 0.448 113 P HA -0.132 nan 4.420 nan 0.000 0.216 113 P C 1.785 179.095 177.300 0.017 0.000 1.157 113 P CA 2.833 65.944 63.100 0.017 0.000 0.880 113 P CB -0.306 31.404 31.700 0.018 0.000 0.791 114 S N -1.543 114.168 115.700 0.018 0.000 2.515 114 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 114 S C 1.893 176.505 174.600 0.020 0.000 0.987 114 S CA 0.930 59.141 58.200 0.018 0.000 0.936 114 S CB -0.766 62.445 63.200 0.018 0.000 0.766 114 S HN 0.158 nan 8.310 nan 0.000 0.528 115 E N 0.194 120.407 120.200 0.021 0.000 2.216 115 E HA 0.107 4.457 4.350 -0.000 0.000 0.192 115 E C 1.740 178.353 176.600 0.023 0.000 0.973 115 E CA 0.423 56.837 56.400 0.025 0.000 0.851 115 E CB 0.188 29.904 29.700 0.027 0.000 0.804 115 E HN 0.388 nan 8.360 nan 0.000 0.477 116 V N 0.928 120.854 119.914 0.020 0.000 2.453 116 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 116 V C 1.819 177.922 176.094 0.016 0.000 1.048 116 V CA 1.072 63.383 62.300 0.018 0.000 1.049 116 V CB -0.173 31.659 31.823 0.016 0.000 0.672 116 V HN 0.271 nan 8.190 nan 0.000 0.457 117 L N 0.400 121.631 121.223 0.014 0.000 2.376 117 L HA 0.033 4.373 4.340 -0.000 0.000 0.219 117 L C 1.161 178.040 176.870 0.014 0.000 1.133 117 L CA 0.673 55.519 54.840 0.011 0.000 0.816 117 L CB -1.333 40.730 42.059 0.007 0.000 0.933 117 L HN 0.534 nan 8.230 nan 0.000 0.449 118 K N -0.527 119.885 120.400 0.019 0.000 4.007 118 K HA -0.215 4.105 4.320 -0.000 0.000 0.279 118 K C -0.728 175.890 176.600 0.029 0.000 0.919 118 K CA 0.071 56.374 56.287 0.026 0.000 0.800 118 K CB -2.450 30.067 32.500 0.027 0.000 1.572 118 K HN 0.031 nan 8.250 nan 0.000 0.443 119 L N 1.818 123.059 121.223 0.029 0.000 2.410 119 L HA 0.082 4.422 4.340 -0.000 0.000 0.273 119 L C 1.032 177.935 176.870 0.055 0.000 1.144 119 L CA 0.262 55.126 54.840 0.040 0.000 0.863 119 L CB 0.522 42.602 42.059 0.035 0.000 1.140 119 L HN 0.227 nan 8.230 nan 0.000 0.463 120 D N 2.789 123.235 120.400 0.078 0.000 2.540 120 D HA -0.015 4.625 4.640 -0.000 0.000 0.237 120 D C 1.070 177.410 176.300 0.067 0.000 1.181 120 D CA 0.063 54.107 54.000 0.073 0.000 1.119 120 D CB 0.406 41.256 40.800 0.082 0.000 1.119 120 D HN 0.344 nan 8.370 nan 0.000 0.498 121 L N 2.170 123.427 121.223 0.056 0.000 2.093 121 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 121 L C 1.810 178.709 176.870 0.048 0.000 1.085 121 L CA 1.321 56.192 54.840 0.051 0.000 0.755 121 L CB -0.267 41.817 42.059 0.041 0.000 0.904 121 L HN 0.226 nan 8.230 nan 0.000 0.435 122 D N -1.016 119.415 120.400 0.051 0.000 2.117 122 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 122 D C 2.297 178.611 176.300 0.024 0.000 0.987 122 D CA 0.815 54.845 54.000 0.051 0.000 0.829 122 D CB -0.129 40.704 40.800 0.056 0.000 0.961 122 D HN 0.141 nan 8.370 nan 0.000 0.460 123 R N 0.650 121.159 120.500 0.015 0.000 2.153 123 R HA 0.081 4.421 4.340 -0.000 0.000 0.218 123 R C 1.922 178.202 176.300 -0.034 0.000 1.072 123 R CA 0.794 56.885 56.100 -0.015 0.000 0.990 123 R CB -0.132 30.154 30.300 -0.023 0.000 0.889 123 R HN 0.095 nan 8.270 nan 0.000 0.452 124 A N 0.613 123.431 122.820 -0.004 0.000 1.972 124 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 124 A C 2.297 179.875 177.584 -0.009 0.000 1.169 124 A CA 1.568 53.606 52.037 0.002 0.000 0.635 124 A CB -0.448 18.581 19.000 0.050 0.000 0.810 124 A HN 0.400 nan 8.150 nan 0.000 0.446 125 A N -0.224 122.591 122.820 -0.009 0.000 1.902 125 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 125 A C 1.970 179.512 177.584 -0.071 0.000 1.181 125 A CA 1.628 53.644 52.037 -0.035 0.000 0.623 125 A CB -0.398 18.590 19.000 -0.020 0.000 0.818 125 A HN 0.492 nan 8.150 nan 0.000 0.443 126 E N -0.306 119.857 120.200 -0.062 0.000 2.012 126 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 126 E C 2.206 178.761 176.600 -0.075 0.000 1.007 126 E CA 1.211 57.567 56.400 -0.073 0.000 0.816 126 E CB -0.511 29.152 29.700 -0.061 0.000 0.762 126 E HN 0.614 nan 8.360 nan 0.000 0.451 127 R N 0.613 121.068 120.500 -0.076 0.000 2.133 127 R HA -0.180 4.160 4.340 -0.000 0.000 0.245 127 R C 2.646 178.902 176.300 -0.073 0.000 1.137 127 R CA 1.592 57.642 56.100 -0.083 0.000 0.947 127 R CB -0.483 29.758 30.300 -0.098 0.000 0.865 127 R HN 0.150 nan 8.270 nan 0.000 0.437 128 L N -0.074 121.122 121.223 -0.045 0.000 2.141 128 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 128 L C 2.560 179.432 176.870 0.003 0.000 1.094 128 L CA 1.054 55.894 54.840 -0.001 0.000 0.763 128 L CB -0.243 41.849 42.059 0.055 0.000 0.908 128 L HN 0.233 nan 8.230 nan 0.000 0.437 129 S N -0.048 115.621 115.700 -0.052 0.000 2.356 129 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 129 S C 2.023 176.587 174.600 -0.059 0.000 1.032 129 S CA 1.248 59.403 58.200 -0.076 0.000 1.005 129 S CB -0.546 62.572 63.200 -0.137 0.000 0.867 129 S HN 0.615 nan 8.310 nan 0.000 0.449 130 G N 1.976 110.733 108.800 -0.073 0.000 2.514 130 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 130 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 130 G C 1.197 176.041 174.900 -0.093 0.000 1.198 130 G CA 0.814 45.869 45.100 -0.075 0.000 0.780 130 G HN 0.374 nan 8.290 nan 0.000 0.565 131 L N 0.113 121.246 121.223 -0.149 0.000 2.265 131 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 131 L C 1.918 178.584 176.870 -0.341 0.000 1.117 131 L CA 1.237 55.915 54.840 -0.270 0.000 0.782 131 L CB -0.701 41.131 42.059 -0.379 0.000 0.914 131 L HN 0.347 nan 8.230 nan 0.000 0.441 132 H N -2.192 116.855 119.070 -0.039 0.000 2.893 132 H HA 0.442 4.998 4.556 -0.000 0.000 0.270 132 H C 0.712 176.026 175.328 -0.023 0.000 1.095 132 H CA 0.199 56.231 56.048 -0.027 0.000 1.186 132 H CB 0.336 30.073 29.762 -0.041 0.000 1.562 132 H HN 0.164 nan 8.280 nan 0.000 0.536 133 A N 2.218 125.070 122.820 0.053 0.000 2.313 133 A HA 0.281 4.601 4.320 -0.000 0.000 0.261 133 A C -0.602 177.009 177.584 0.045 0.000 1.090 133 A CA -0.871 51.181 52.037 0.025 0.000 0.807 133 A CB 0.476 19.468 19.000 -0.014 0.000 1.055 133 A HN 0.087 nan 8.150 nan 0.000 0.492 134 P HA -0.130 nan 4.420 nan 0.000 0.217 134 P C 1.184 178.513 177.300 0.048 0.000 1.154 134 P CA 1.541 64.662 63.100 0.035 0.000 0.841 134 P CB -0.218 31.503 31.700 0.036 0.000 0.788 135 H N 0.852 119.922 119.070 -0.001 0.000 2.330 135 H HA -0.140 4.416 4.556 -0.000 0.000 0.290 135 H C 0.331 175.648 175.328 -0.018 0.000 1.111 135 H CA 1.787 57.831 56.048 -0.006 0.000 1.226 135 H CB -0.615 29.145 29.762 -0.003 0.000 1.355 135 H HN 0.051 nan 8.280 nan 0.000 0.485 136 V N 0.195 119.971 119.914 -0.230 0.000 2.709 136 V HA 0.538 4.658 4.120 -0.000 0.000 0.308 136 V C -0.973 175.025 176.094 -0.160 0.000 1.062 136 V CA -0.799 61.322 62.300 -0.299 0.000 0.901 136 V CB 1.640 33.261 31.823 -0.338 0.000 1.003 136 V HN 0.603 nan 8.190 nan 0.000 0.425 137 R N 4.911 125.301 120.500 -0.183 0.000 2.637 137 R HA 0.844 5.184 4.340 -0.000 0.000 0.291 137 R C -1.646 174.471 176.300 -0.306 0.000 0.963 137 R CA -0.152 55.812 56.100 -0.227 0.000 0.901 137 R CB 1.932 32.093 30.300 -0.231 0.000 1.160 137 R HN 0.989 nan 8.270 nan 0.000 0.457 138 V N 4.533 124.213 119.914 -0.390 0.000 2.680 138 V HA 0.672 4.792 4.120 -0.000 0.000 0.309 138 V C -1.666 174.135 176.094 -0.488 0.000 1.052 138 V CA -0.503 61.594 62.300 -0.337 0.000 0.908 138 V CB 1.430 33.160 31.823 -0.155 0.000 1.001 138 V HN 0.836 nan 8.190 nan 0.000 0.431 139 Y N 2.919 123.091 120.300 -0.212 0.000 2.659 139 Y HA 0.796 5.346 4.550 -0.000 0.000 0.333 139 Y C 0.326 176.266 175.900 0.066 0.000 1.064 139 Y CA -0.585 57.479 58.100 -0.060 0.000 1.141 139 Y CB 2.306 40.740 38.460 -0.043 0.000 1.316 139 Y HN 0.724 nan 8.280 nan 0.000 0.509 140 S N 1.078 116.980 115.700 0.336 0.000 2.614 140 S HA 0.688 5.158 4.470 -0.000 0.000 0.288 140 S C -1.799 172.998 174.600 0.328 0.000 1.137 140 S CA -0.476 57.870 58.200 0.243 0.000 0.992 140 S CB 0.334 63.612 63.200 0.130 0.000 1.026 140 S HN 0.601 nan 8.310 nan 0.000 0.486 141 Y N 0.358 120.765 120.300 0.179 0.000 2.615 141 Y HA 0.784 5.334 4.550 -0.000 0.000 0.341 141 Y C -0.464 175.486 175.900 0.083 0.000 1.089 141 Y CA -1.015 57.154 58.100 0.115 0.000 1.049 141 Y CB 1.160 39.674 38.460 0.090 0.000 1.296 141 Y HN 0.452 nan 8.280 nan 0.000 0.470 142 T N 0.469 115.147 114.554 0.207 0.000 2.829 142 T HA 0.582 4.932 4.350 -0.000 0.000 0.282 142 T C 0.287 175.085 174.700 0.163 0.000 0.990 142 T CA -0.036 62.115 62.100 0.086 0.000 1.028 142 T CB 0.593 69.510 68.868 0.081 0.000 0.951 142 T HN 1.140 nan 8.240 nan 0.000 0.460 143 G N 2.408 111.239 108.800 0.053 0.000 4.379 143 G HA2 0.323 4.283 3.960 -0.000 0.000 0.290 143 G HA3 0.323 4.283 3.960 -0.000 0.000 0.290 143 G C 0.353 175.281 174.900 0.047 0.000 1.065 143 G CA -0.133 45.015 45.100 0.080 0.000 0.833 143 G HN 0.869 nan 8.290 nan 0.000 0.512 144 S N -0.788 114.939 115.700 0.045 0.000 2.603 144 S HA 0.484 4.954 4.470 -0.000 0.000 0.268 144 S C 1.761 176.393 174.600 0.054 0.000 1.317 144 S CA 0.451 58.676 58.200 0.041 0.000 1.012 144 S CB 1.620 64.842 63.200 0.036 0.000 0.926 144 S HN 0.337 nan 8.310 nan 0.000 0.539 145 G N 0.946 109.776 108.800 0.051 0.000 2.432 145 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.219 145 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.219 145 G C 1.242 176.173 174.900 0.052 0.000 1.135 145 G CA 0.783 45.915 45.100 0.054 0.000 0.767 145 G HN 0.720 nan 8.290 nan 0.000 0.550 146 L N 0.295 121.545 121.223 0.046 0.000 2.131 146 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 146 L C 2.064 178.966 176.870 0.054 0.000 1.092 146 L CA 1.205 56.072 54.840 0.046 0.000 0.759 146 L CB -0.254 41.829 42.059 0.040 0.000 0.903 146 L HN 0.076 nan 8.230 nan 0.000 0.435 147 D N -1.083 119.350 120.400 0.056 0.000 2.431 147 D HA 0.040 4.680 4.640 -0.000 0.000 0.235 147 D C 1.049 177.385 176.300 0.060 0.000 0.980 147 D CA 1.053 55.087 54.000 0.058 0.000 0.912 147 D CB 0.286 41.120 40.800 0.058 0.000 1.056 147 D HN 0.320 nan 8.370 nan 0.000 0.494 148 T N -1.715 112.879 114.554 0.067 0.000 2.924 148 T HA 0.632 4.982 4.350 -0.000 0.000 0.291 148 T C -0.351 174.408 174.700 0.099 0.000 1.045 148 T CA -0.678 61.464 62.100 0.069 0.000 1.015 148 T CB 2.315 71.220 68.868 0.061 0.000 1.103 148 T HN -0.288 nan 8.240 nan 0.000 0.496 149 T N 2.721 117.344 114.554 0.115 0.000 2.833 149 T HA 0.472 4.822 4.350 -0.000 0.000 0.297 149 T C 0.159 175.006 174.700 0.244 0.000 1.015 149 T CA -0.505 61.702 62.100 0.177 0.000 0.963 149 T CB 0.029 69.002 68.868 0.175 0.000 0.955 149 T HN 0.783 nan 8.240 nan 0.000 0.449 150 F N 2.320 122.330 119.950 0.101 0.000 2.478 150 F HA -0.436 4.091 4.527 -0.000 0.000 0.218 150 F C 2.339 178.162 175.800 0.039 0.000 1.459 150 F CA 2.257 60.326 58.000 0.115 0.000 2.000 150 F CB -0.936 38.156 39.000 0.152 0.000 0.456 150 F HN 0.575 nan 8.300 nan 0.000 0.231 151 T N -0.411 113.920 114.554 -0.373 0.000 3.155 151 T HA -0.087 4.262 4.350 -0.000 0.000 0.264 151 T C 1.163 175.599 174.700 -0.441 0.000 1.160 151 T CA 1.329 63.004 62.100 -0.708 0.000 1.075 151 T CB -0.243 67.605 68.868 -1.699 0.000 0.921 151 T HN 0.663 nan 8.240 nan 0.000 0.533 152 Q N 0.428 120.123 119.800 -0.174 0.000 2.437 152 Q HA 0.058 4.398 4.340 -0.000 0.000 0.210 152 Q C 2.472 178.429 176.000 -0.072 0.000 0.972 152 Q CA 0.942 56.703 55.803 -0.071 0.000 0.903 152 Q CB -0.371 28.350 28.738 -0.028 0.000 0.967 152 Q HN 0.769 nan 8.270 nan 0.000 0.486 153 G N 1.035 109.770 108.800 -0.108 0.000 2.448 153 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 153 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 153 G C 1.186 175.913 174.900 -0.289 0.000 1.135 153 G CA 0.470 45.490 45.100 -0.133 0.000 0.784 153 G HN 0.362 nan 8.290 nan 0.000 0.543 154 E N 0.229 120.286 120.200 -0.239 0.000 2.072 154 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 154 E C 1.953 178.469 176.600 -0.140 0.000 0.985 154 E CA 1.043 57.338 56.400 -0.174 0.000 0.801 154 E CB -0.060 29.733 29.700 0.156 0.000 0.750 154 E HN 0.315 nan 8.360 nan 0.000 0.452 155 D N -0.214 120.167 120.400 -0.033 0.000 2.088 155 D HA -0.179 4.461 4.640 -0.000 0.000 0.191 155 D C 2.039 178.264 176.300 -0.124 0.000 0.992 155 D CA 2.760 56.748 54.000 -0.021 0.000 0.831 155 D CB -0.487 40.336 40.800 0.038 0.000 0.973 155 D HN 0.305 nan 8.370 nan 0.000 0.447 156 T N -1.393 113.075 114.554 -0.144 0.000 2.699 156 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 156 T C 2.497 176.967 174.700 -0.384 0.000 1.036 156 T CA 1.610 63.628 62.100 -0.138 0.000 1.147 156 T CB -1.420 67.471 68.868 0.038 0.000 0.862 156 T HN 0.372 nan 8.240 nan 0.000 0.446 157 C N 1.321 120.083 119.300 -0.897 0.000 2.442 157 C HA 0.073 4.533 4.460 -0.000 0.000 0.279 157 C C 2.751 177.430 174.990 -0.517 0.000 1.237 157 C CA 0.726 58.990 59.018 -1.257 0.000 1.722 157 C CB -1.625 25.293 27.740 -1.369 0.000 2.056 157 C HN 0.659 nan 8.230 nan 0.000 0.469 158 L N 1.340 122.355 121.223 -0.347 0.000 2.083 158 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 158 L C 3.032 179.825 176.870 -0.128 0.000 1.083 158 L CA 1.663 56.387 54.840 -0.193 0.000 0.752 158 L CB -0.869 41.112 42.059 -0.129 0.000 0.899 158 L HN 0.492 nan 8.230 nan 0.000 0.433 159 A N 0.097 122.850 122.820 -0.113 0.000 1.972 159 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 159 A C 2.490 180.073 177.584 -0.001 0.000 1.169 159 A CA 1.532 53.537 52.037 -0.053 0.000 0.635 159 A CB -0.528 18.452 19.000 -0.033 0.000 0.810 159 A HN 0.398 nan 8.150 nan 0.000 0.446 160 A N -1.043 121.787 122.820 0.017 0.000 2.066 160 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 160 A C 2.116 179.809 177.584 0.181 0.000 1.157 160 A CA 1.467 53.591 52.037 0.145 0.000 0.670 160 A CB -0.407 18.753 19.000 0.267 0.000 0.804 160 A HN 0.526 nan 8.150 nan 0.000 0.453 161 M N -1.230 118.390 119.600 0.034 0.000 2.334 161 M HA -0.042 4.438 4.480 -0.000 0.000 0.266 161 M C 1.976 178.318 176.300 0.072 0.000 1.082 161 M CA 0.655 55.957 55.300 0.003 0.000 1.141 161 M CB -0.107 32.404 32.600 -0.149 0.000 1.380 161 M HN 0.217 nan 8.290 nan 0.000 0.440 162 V N 1.333 121.258 119.914 0.018 0.000 2.278 162 V HA -0.231 3.888 4.120 -0.000 0.000 0.251 162 V C -0.675 175.435 176.094 0.028 0.000 1.062 162 V CA 2.178 64.476 62.300 -0.003 0.000 1.038 162 V CB -2.004 29.789 31.823 -0.051 0.000 0.646 162 V HN 0.306 nan 8.190 nan 0.000 0.447 163 P HA -0.089 nan 4.420 nan 0.000 0.218 163 P C 1.747 179.084 177.300 0.062 0.000 1.149 163 P CA 1.454 64.584 63.100 0.051 0.000 0.817 163 P CB -0.213 31.522 31.700 0.059 0.000 0.785 164 T N -0.201 114.417 114.554 0.108 0.000 2.867 164 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 164 T C 0.851 175.602 174.700 0.085 0.000 1.057 164 T CA 0.430 62.598 62.100 0.114 0.000 1.136 164 T CB -0.749 68.275 68.868 0.260 0.000 0.874 164 T HN 0.028 nan 8.240 nan 0.000 0.466 165 L N 2.347 123.615 121.223 0.075 0.000 2.525 165 L HA 0.059 4.398 4.340 -0.000 0.000 0.278 165 L C 0.420 177.310 176.870 0.034 0.000 1.218 165 L CA -0.487 54.384 54.840 0.050 0.000 0.878 165 L CB 0.056 42.131 42.059 0.028 0.000 1.127 165 L HN 0.134 nan 8.230 nan 0.000 0.492 166 D N 1.012 121.430 120.400 0.031 0.000 2.563 166 D HA -0.053 4.587 4.640 -0.000 0.000 0.229 166 D C 0.305 176.617 176.300 0.020 0.000 1.159 166 D CA 0.605 54.619 54.000 0.024 0.000 0.869 166 D CB 0.515 41.329 40.800 0.022 0.000 1.203 166 D HN 0.467 nan 8.370 nan 0.000 0.478 167 T N 0.634 115.199 114.554 0.018 0.000 2.837 167 T HA 0.521 4.871 4.350 -0.000 0.000 0.285 167 T C -0.364 174.347 174.700 0.017 0.000 0.984 167 T CA -0.382 61.728 62.100 0.017 0.000 1.049 167 T CB 0.804 69.681 68.868 0.015 0.000 0.947 167 T HN 0.260 nan 8.240 nan 0.000 0.472 168 T N 2.573 117.138 114.554 0.020 0.000 2.883 168 T HA 0.406 4.756 4.350 -0.000 0.000 0.301 168 T C 0.003 174.715 174.700 0.021 0.000 1.158 168 T CA -0.581 61.531 62.100 0.021 0.000 1.007 168 T CB 2.005 70.888 68.868 0.024 0.000 1.186 168 T HN 0.749 nan 8.240 nan 0.000 0.499 169 E N 1.079 121.291 120.200 0.019 0.000 2.501 169 E HA 0.412 4.762 4.350 -0.000 0.000 0.201 169 E C 0.621 177.233 176.600 0.020 0.000 1.016 169 E CA -0.304 56.106 56.400 0.018 0.000 0.920 169 E CB 0.361 30.069 29.700 0.013 0.000 1.023 169 E HN 0.743 nan 8.360 nan 0.000 0.474 170 A N 0.562 123.398 122.820 0.026 0.000 2.366 170 A HA 0.435 4.755 4.320 -0.000 0.000 0.250 170 A C 0.628 178.236 177.584 0.040 0.000 1.099 170 A CA 0.506 52.562 52.037 0.033 0.000 0.794 170 A CB 0.468 19.491 19.000 0.037 0.000 1.056 170 A HN 0.237 nan 8.150 nan 0.000 0.499 171 A N 0.894 123.744 122.820 0.050 0.000 3.159 171 A HA 0.405 4.725 4.320 -0.000 0.000 0.301 171 A C 0.196 177.860 177.584 0.134 0.000 1.271 171 A CA -0.395 51.677 52.037 0.059 0.000 0.998 171 A CB -0.331 18.680 19.000 0.019 0.000 1.101 171 A HN 0.710 nan 8.150 nan 0.000 0.610 172 E N 0.021 120.293 120.200 0.120 0.000 2.349 172 E HA 0.191 4.541 4.350 -0.000 0.000 0.265 172 E C -0.610 176.088 176.600 0.163 0.000 1.064 172 E CA -0.300 56.178 56.400 0.130 0.000 0.886 172 E CB 1.579 31.327 29.700 0.078 0.000 1.036 172 E HN 0.457 nan 8.360 nan 0.000 0.413 173 L N 3.362 124.665 121.223 0.133 0.000 2.305 173 L HA 0.338 4.678 4.340 -0.000 0.000 0.281 173 L C -0.399 176.525 176.870 0.091 0.000 1.085 173 L CA -0.380 54.527 54.840 0.112 0.000 0.813 173 L CB 0.425 42.463 42.059 -0.035 0.000 1.157 173 L HN 0.400 nan 8.230 nan 0.000 0.436 174 I N 5.398 126.050 120.570 0.137 0.000 2.355 174 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 174 I C -0.257 175.958 176.117 0.162 0.000 0.999 174 I CA -0.638 60.742 61.300 0.134 0.000 1.163 174 I CB 1.817 39.900 38.000 0.138 0.000 1.316 174 I HN 0.224 nan 8.210 nan 0.000 0.454 175 V N 7.722 127.719 119.914 0.138 0.000 2.432 175 V HA 0.189 4.309 4.120 -0.000 0.000 0.271 175 V C 0.196 176.377 176.094 0.146 0.000 1.046 175 V CA -0.414 62.004 62.300 0.196 0.000 0.945 175 V CB 1.494 33.453 31.823 0.228 0.000 0.992 175 V HN 0.383 nan 8.190 nan 0.000 0.471 176 V N 4.476 124.494 119.914 0.173 0.000 2.370 176 V HA 0.953 5.073 4.120 -0.000 0.000 0.279 176 V C 0.508 176.635 176.094 0.055 0.000 1.029 176 V CA 0.093 62.455 62.300 0.103 0.000 0.870 176 V CB 0.940 32.837 31.823 0.124 0.000 0.984 176 V HN 1.155 nan 8.190 nan 0.000 0.451 177 G N 3.417 112.218 108.800 0.001 0.000 2.277 177 G HA2 0.498 4.458 3.960 -0.000 0.000 0.272 177 G HA3 0.498 4.458 3.960 -0.000 0.000 0.272 177 G C -0.640 174.236 174.900 -0.040 0.000 1.692 177 G CA -0.333 44.739 45.100 -0.046 0.000 0.926 177 G HN 1.169 nan 8.290 nan 0.000 0.720 178 A N 2.245 125.071 122.820 0.010 0.000 2.475 178 A HA 0.641 4.961 4.320 -0.000 0.000 0.293 178 A C 0.400 177.950 177.584 -0.056 0.000 1.252 178 A CA 0.189 52.236 52.037 0.017 0.000 0.920 178 A CB -0.217 18.859 19.000 0.127 0.000 1.125 178 A HN 0.876 nan 8.150 nan 0.000 0.528 179 L N 4.886 126.046 121.223 -0.105 0.000 2.322 179 L HA 0.393 4.733 4.340 -0.000 0.000 0.281 179 L C -2.072 174.724 176.870 -0.122 0.000 1.014 179 L CA -2.384 52.355 54.840 -0.169 0.000 0.815 179 L CB 2.140 44.063 42.059 -0.228 0.000 1.247 179 L HN 0.439 nan 8.230 nan 0.000 0.421 180 P HA -0.060 nan 4.420 nan 0.000 0.259 180 P C -0.225 177.027 177.300 -0.079 0.000 1.163 180 P CA 0.232 63.282 63.100 -0.084 0.000 0.760 180 P CB 0.596 32.258 31.700 -0.065 0.000 0.762 181 D N 2.041 122.403 120.400 -0.063 0.000 2.191 181 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 181 D C 1.779 178.036 176.300 -0.071 0.000 1.003 181 D CA 1.359 55.323 54.000 -0.061 0.000 0.867 181 D CB -0.346 40.431 40.800 -0.039 0.000 0.926 181 D HN 0.145 nan 8.370 nan 0.000 0.450 182 V N 0.265 120.143 119.914 -0.059 0.000 2.261 182 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 182 V C 2.492 178.528 176.094 -0.097 0.000 1.047 182 V CA 1.260 63.524 62.300 -0.060 0.000 1.015 182 V CB -0.656 31.146 31.823 -0.034 0.000 0.642 182 V HN 0.141 nan 8.190 nan 0.000 0.446 183 V N 0.124 119.976 119.914 -0.102 0.000 2.332 183 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 183 V C 2.483 178.395 176.094 -0.303 0.000 1.055 183 V CA 2.326 64.531 62.300 -0.158 0.000 1.038 183 V CB -0.749 31.026 31.823 -0.080 0.000 0.651 183 V HN 0.672 nan 8.190 nan 0.000 0.450 184 E N 0.256 120.316 120.200 -0.234 0.000 2.085 184 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 184 E C 1.906 178.360 176.600 -0.244 0.000 0.994 184 E CA 1.706 57.958 56.400 -0.247 0.000 0.801 184 E CB -0.124 29.484 29.700 -0.152 0.000 0.743 184 E HN 0.619 nan 8.360 nan 0.000 0.453 185 D N 0.461 120.753 120.400 -0.179 0.000 2.123 185 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 185 D C 2.074 178.261 176.300 -0.188 0.000 0.992 185 D CA 1.000 54.912 54.000 -0.148 0.000 0.833 185 D CB -0.286 40.454 40.800 -0.100 0.000 0.954 185 D HN 0.344 nan 8.370 nan 0.000 0.455 186 Q N 0.021 119.679 119.800 -0.236 0.000 2.030 186 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 186 Q C 2.526 178.294 176.000 -0.386 0.000 0.986 186 Q CA 1.488 57.136 55.803 -0.259 0.000 0.843 186 Q CB -0.436 28.149 28.738 -0.255 0.000 0.904 186 Q HN 0.371 nan 8.270 nan 0.000 0.420 187 C N 0.504 119.367 119.300 -0.728 0.000 2.398 187 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 187 C C 2.483 177.288 174.990 -0.308 0.000 1.222 187 C CA 0.710 59.220 59.018 -0.847 0.000 1.746 187 C CB -1.033 25.983 27.740 -1.206 0.000 2.039 187 C HN 0.483 nan 8.230 nan 0.000 0.470 188 L N 1.014 122.094 121.223 -0.239 0.000 2.131 188 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 188 L C 2.914 179.728 176.870 -0.094 0.000 1.092 188 L CA 2.218 56.983 54.840 -0.125 0.000 0.759 188 L CB -1.325 40.668 42.059 -0.110 0.000 0.903 188 L HN 0.523 nan 8.230 nan 0.000 0.435 189 S N -1.197 114.439 115.700 -0.107 0.000 2.357 189 S HA -0.076 4.394 4.470 -0.000 0.000 0.221 189 S C 2.019 176.590 174.600 -0.050 0.000 1.031 189 S CA 0.847 59.005 58.200 -0.071 0.000 0.982 189 S CB -0.145 63.012 63.200 -0.071 0.000 0.853 189 S HN 0.371 nan 8.310 nan 0.000 0.458 190 L N 1.190 122.384 121.223 -0.048 0.000 2.079 190 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 190 L C 2.185 179.065 176.870 0.016 0.000 1.081 190 L CA 1.074 55.915 54.840 0.002 0.000 0.752 190 L CB -0.448 41.648 42.059 0.060 0.000 0.896 190 L HN 0.342 nan 8.230 nan 0.000 0.433 191 L N -1.542 119.686 121.223 0.008 0.000 2.179 191 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 191 L C 2.524 179.373 176.870 -0.036 0.000 1.096 191 L CA 1.005 55.842 54.840 -0.004 0.000 0.779 191 L CB -0.814 41.240 42.059 -0.008 0.000 0.922 191 L HN 0.194 nan 8.230 nan 0.000 0.443 192 T N -0.773 113.759 114.554 -0.037 0.000 2.746 192 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 192 T C 1.906 176.592 174.700 -0.023 0.000 1.039 192 T CA 1.283 63.362 62.100 -0.034 0.000 1.142 192 T CB -0.158 68.690 68.868 -0.033 0.000 0.866 192 T HN 0.361 nan 8.240 nan 0.000 0.444 193 Q N 0.255 120.043 119.800 -0.020 0.000 2.170 193 Q HA 0.074 4.414 4.340 -0.000 0.000 0.203 193 Q C 2.149 178.145 176.000 -0.007 0.000 0.976 193 Q CA 0.929 56.722 55.803 -0.016 0.000 0.858 193 Q CB -0.278 28.447 28.738 -0.022 0.000 0.907 193 Q HN 0.464 nan 8.270 nan 0.000 0.433 194 L N -1.135 120.088 121.223 0.000 0.000 2.478 194 L HA 0.050 4.390 4.340 -0.000 0.000 0.223 194 L C 1.262 178.145 176.870 0.021 0.000 1.140 194 L CA 0.585 55.440 54.840 0.025 0.000 0.842 194 L CB -0.013 42.079 42.059 0.055 0.000 0.953 194 L HN 0.473 nan 8.230 nan 0.000 0.452 195 G N 0.004 108.803 108.800 -0.003 0.000 2.175 195 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 195 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 195 G C 0.242 175.128 174.900 -0.023 0.000 0.982 195 G CA 0.182 45.281 45.100 -0.002 0.000 0.641 195 G HN 0.176 nan 8.290 nan 0.000 0.527 196 V N 0.645 120.508 119.914 -0.086 0.000 2.583 196 V HA 0.841 4.961 4.120 -0.000 0.000 0.287 196 V C 0.718 176.694 176.094 -0.197 0.000 1.051 196 V CA 1.597 63.756 62.300 -0.236 0.000 1.010 196 V CB 1.262 32.783 31.823 -0.504 0.000 0.988 196 V HN 2.105 nan 8.190 nan 0.000 0.478 197 G N 5.427 114.123 108.800 -0.174 0.000 2.356 197 G HA2 0.266 4.226 3.960 -0.000 0.000 0.288 197 G HA3 0.266 4.226 3.960 -0.000 0.000 0.288 197 G C -3.301 171.593 174.900 -0.009 0.000 1.302 197 G CA -0.432 44.615 45.100 -0.088 0.000 0.887 197 G HN 0.768 nan 8.290 nan 0.000 0.521 198 P HA 0.482 nan 4.420 nan 0.000 0.271 198 P C -0.057 177.234 177.300 -0.016 0.000 1.233 198 P CA -0.318 62.775 63.100 -0.012 0.000 0.789 198 P CB 1.184 32.885 31.700 0.002 0.000 0.951 199 V N -0.586 119.315 119.914 -0.022 0.000 3.040 199 V HA 0.801 4.921 4.120 -0.000 0.000 0.312 199 V C -0.841 175.254 176.094 0.002 0.000 1.115 199 V CA -0.836 61.455 62.300 -0.015 0.000 0.998 199 V CB 2.294 34.095 31.823 -0.037 0.000 1.042 199 V HN 0.526 nan 8.190 nan 0.000 0.433 200 R N 3.347 123.858 120.500 0.018 0.000 2.707 200 R HA 0.689 5.029 4.340 -0.000 0.000 0.272 200 R C -1.180 175.136 176.300 0.026 0.000 1.011 200 R CA -0.871 55.239 56.100 0.017 0.000 0.893 200 R CB 2.146 32.458 30.300 0.019 0.000 1.233 200 R HN 0.840 nan 8.270 nan 0.000 0.464 201 M N 3.323 122.931 119.600 0.013 0.000 2.318 201 M HA 0.354 4.833 4.480 -0.000 0.000 0.347 201 M C -0.904 175.402 176.300 0.011 0.000 1.175 201 M CA -0.851 54.457 55.300 0.014 0.000 1.075 201 M CB 1.086 33.682 32.600 -0.007 0.000 1.614 201 M HN 0.407 nan 8.290 nan 0.000 0.456 202 L N 6.334 127.564 121.223 0.011 0.000 2.318 202 L HA 0.575 4.915 4.340 -0.000 0.000 0.277 202 L C -2.451 174.412 176.870 -0.011 0.000 1.008 202 L CA -1.323 53.515 54.840 -0.005 0.000 0.846 202 L CB 1.515 43.563 42.059 -0.019 0.000 1.220 202 L HN 0.352 nan 8.230 nan 0.000 0.423 203 P HA 0.384 nan 4.420 nan 0.000 0.286 203 P C -0.984 176.319 177.300 0.005 0.000 1.261 203 P CA -0.501 62.596 63.100 -0.004 0.000 0.821 203 P CB 1.426 33.126 31.700 -0.000 0.000 1.013 204 A N 3.334 126.162 122.820 0.013 0.000 2.332 204 A HA 0.219 4.539 4.320 -0.000 0.000 0.258 204 A C 1.481 179.079 177.584 0.022 0.000 1.087 204 A CA -0.407 51.639 52.037 0.014 0.000 0.802 204 A CB 0.046 19.056 19.000 0.017 0.000 1.042 204 A HN 0.492 nan 8.150 nan 0.000 0.489 205 R N -0.416 120.094 120.500 0.016 0.000 2.193 205 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 205 R C 0.413 176.736 176.300 0.039 0.000 1.110 205 R CA 1.244 57.357 56.100 0.023 0.000 0.988 205 R CB -0.064 30.244 30.300 0.012 0.000 0.871 205 R HN 0.663 nan 8.270 nan 0.000 0.458 206 R N -1.870 118.653 120.500 0.038 0.000 2.817 206 R HA 0.134 4.474 4.340 -0.000 0.000 0.268 206 R C 0.830 177.155 176.300 0.042 0.000 1.027 206 R CA -0.061 56.066 56.100 0.045 0.000 0.928 206 R CB 1.451 31.773 30.300 0.037 0.000 1.228 206 R HN -0.022 nan 8.270 nan 0.000 0.469 207 S N -0.160 115.564 115.700 0.041 0.000 2.383 207 S HA -0.145 4.325 4.470 -0.000 0.000 0.227 207 S C 1.030 175.650 174.600 0.033 0.000 1.026 207 S CA 1.749 59.972 58.200 0.038 0.000 0.981 207 S CB -0.165 63.050 63.200 0.025 0.000 0.818 207 S HN 0.749 nan 8.310 nan 0.000 0.472 208 D N 1.658 122.074 120.400 0.027 0.000 2.328 208 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 208 D C 1.051 177.365 176.300 0.023 0.000 1.072 208 D CA -0.053 53.961 54.000 0.024 0.000 0.850 208 D CB -0.578 40.235 40.800 0.021 0.000 0.922 208 D HN 0.777 nan 8.370 nan 0.000 0.516 209 I N -2.978 117.606 120.570 0.024 0.000 3.569 209 I HA 0.327 4.496 4.170 -0.000 0.000 0.334 209 I C -0.334 175.795 176.117 0.020 0.000 1.570 209 I CA -0.811 60.501 61.300 0.020 0.000 1.082 209 I CB 0.225 38.235 38.000 0.017 0.000 1.323 209 I HN -0.364 nan 8.210 nan 0.000 0.489 210 E N 3.943 124.157 120.200 0.024 0.000 2.404 210 E HA 0.238 4.588 4.350 -0.000 0.000 0.261 210 E C -2.123 174.489 176.600 0.021 0.000 1.074 210 E CA -1.391 55.022 56.400 0.023 0.000 0.917 210 E CB 0.100 29.816 29.700 0.028 0.000 0.965 210 E HN 0.243 nan 8.360 nan 0.000 0.433 211 P HA 0.191 nan 4.420 nan 0.000 0.277 211 P C -0.891 176.421 177.300 0.020 0.000 1.240 211 P CA -0.349 62.764 63.100 0.020 0.000 0.798 211 P CB 0.824 32.537 31.700 0.022 0.000 0.979 212 A N 1.915 124.749 122.820 0.024 0.000 2.271 212 A HA 0.606 4.926 4.320 -0.000 0.000 0.288 212 A C -0.394 177.204 177.584 0.023 0.000 1.094 212 A CA -0.471 51.580 52.037 0.023 0.000 0.828 212 A CB 0.510 19.524 19.000 0.024 0.000 1.091 212 A HN 0.364 nan 8.150 nan 0.000 0.493 213 V N -0.200 119.726 119.914 0.020 0.000 2.789 213 V HA 0.843 4.963 4.120 -0.000 0.000 0.311 213 V C 0.516 176.625 176.094 0.024 0.000 1.073 213 V CA 0.252 62.564 62.300 0.019 0.000 0.921 213 V CB 1.710 33.532 31.823 -0.002 0.000 1.009 213 V HN 1.545 nan 8.190 nan 0.000 0.426 214 G N 2.653 111.472 108.800 0.032 0.000 2.606 214 G HA2 0.584 4.544 3.960 -0.000 0.000 0.300 214 G HA3 0.584 4.544 3.960 -0.000 0.000 0.300 214 G C -2.730 172.192 174.900 0.036 0.000 1.360 214 G CA -0.508 44.610 45.100 0.030 0.000 0.783 214 G HN 0.404 nan 8.290 nan 0.000 0.484 215 P HA -0.006 nan 4.420 nan 0.000 0.230 215 P C 0.572 177.886 177.300 0.023 0.000 1.158 215 P CA 0.883 63.999 63.100 0.027 0.000 0.769 215 P CB 0.174 31.884 31.700 0.017 0.000 0.807 216 N N -1.681 117.032 118.700 0.022 0.000 2.220 216 N HA 0.039 4.779 4.740 -0.000 0.000 0.195 216 N C -0.036 175.490 175.510 0.027 0.000 1.123 216 N CA 0.024 53.080 53.050 0.010 0.000 0.874 216 N CB 0.004 38.491 38.487 0.001 0.000 0.995 216 N HN -0.083 nan 8.380 nan 0.000 0.498 217 T N 2.267 116.857 114.554 0.061 0.000 2.853 217 T HA 0.123 4.473 4.350 -0.000 0.000 0.298 217 T C 0.146 174.927 174.700 0.134 0.000 0.978 217 T CA 0.155 62.316 62.100 0.102 0.000 1.152 217 T CB 0.387 69.322 68.868 0.111 0.000 0.914 217 T HN 0.029 nan 8.240 nan 0.000 0.539 218 R N 3.102 123.683 120.500 0.134 0.000 2.393 218 R HA 0.501 4.840 4.340 -0.000 0.000 0.310 218 R C -0.605 175.799 176.300 0.175 0.000 0.968 218 R CA -0.636 55.521 56.100 0.095 0.000 0.867 218 R CB 1.084 31.404 30.300 0.033 0.000 1.124 218 R HN 0.667 nan 8.270 nan 0.000 0.450 219 F N 0.502 120.454 119.950 0.003 0.000 2.563 219 F HA 0.734 5.261 4.527 -0.000 0.000 0.316 219 F C -0.607 175.164 175.800 -0.048 0.000 1.076 219 F CA -1.496 56.500 58.000 -0.005 0.000 0.921 219 F CB 1.273 40.275 39.000 0.004 0.000 1.209 219 F HN 0.432 nan 8.300 nan 0.000 0.462 220 I N 3.885 124.465 120.570 0.017 0.000 2.608 220 I HA 0.491 4.661 4.170 -0.000 0.000 0.295 220 I C -1.539 174.657 176.117 0.133 0.000 1.049 220 I CA -1.055 60.160 61.300 -0.141 0.000 1.063 220 I CB 1.887 39.624 38.000 -0.438 0.000 1.248 220 I HN 0.709 nan 8.210 nan 0.000 0.424 221 L N 7.504 128.793 121.223 0.111 0.000 2.276 221 L HA 0.456 4.796 4.340 -0.000 0.000 0.286 221 L C 0.934 178.086 176.870 0.468 0.000 1.061 221 L CA -0.218 54.789 54.840 0.278 0.000 0.807 221 L CB 1.531 43.754 42.059 0.273 0.000 1.177 221 L HN 0.836 nan 8.230 nan 0.000 0.429 222 A N 2.941 125.974 122.820 0.355 0.000 2.115 222 A HA 0.154 4.474 4.320 -0.000 0.000 0.211 222 A C 0.710 178.357 177.584 0.104 0.000 1.169 222 A CA 0.366 52.497 52.037 0.156 0.000 0.787 222 A CB 0.347 19.296 19.000 -0.085 0.000 0.858 222 A HN 0.664 nan 8.150 nan 0.000 0.474 223 Q N -0.876 118.921 119.800 -0.005 0.000 2.353 223 Q HA 0.343 4.683 4.340 -0.000 0.000 0.268 223 Q C -2.474 173.084 176.000 -0.736 0.000 1.045 223 Q CA -2.006 53.490 55.803 -0.512 0.000 0.811 223 Q CB 2.127 30.314 28.738 -0.917 0.000 1.305 223 Q HN 0.065 nan 8.270 nan 0.000 0.447 224 P HA 0.041 nan 4.420 nan 0.000 0.245 224 P C 0.093 177.231 177.300 -0.271 0.000 1.212 224 P CA 0.579 63.105 63.100 -0.957 0.000 0.774 224 P CB -0.146 30.965 31.700 -0.982 0.000 0.999 225 F N -2.184 117.728 119.950 -0.064 0.000 2.925 225 F HA 0.446 4.973 4.527 -0.000 0.000 0.302 225 F C 0.179 175.984 175.800 0.008 0.000 1.189 225 F CA -0.754 57.246 58.000 -0.001 0.000 1.346 225 F CB -0.636 38.353 39.000 -0.019 0.000 0.954 225 F HN -0.326 nan 8.300 nan 0.000 0.506 226 L N 1.409 122.657 121.223 0.042 0.000 2.843 226 L HA 0.444 4.784 4.340 -0.000 0.000 0.234 226 L C 1.588 178.506 176.870 0.080 0.000 1.264 226 L CA -0.397 54.480 54.840 0.061 0.000 1.052 226 L CB 0.486 42.552 42.059 0.012 0.000 1.372 226 L HN 0.534 nan 8.230 nan 0.000 0.466 227 G N -0.194 108.668 108.800 0.104 0.000 2.434 227 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 227 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 227 G C 1.317 176.288 174.900 0.118 0.000 1.202 227 G CA 0.293 45.499 45.100 0.177 0.000 0.788 227 G HN 0.371 nan 8.290 nan 0.000 0.539 228 E N 0.617 120.843 120.200 0.043 0.000 2.150 228 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 228 E C 2.725 179.330 176.600 0.009 0.000 0.985 228 E CA 1.269 57.684 56.400 0.026 0.000 0.814 228 E CB -0.818 28.882 29.700 -0.000 0.000 0.752 228 E HN 0.351 nan 8.360 nan 0.000 0.466 229 T N 0.923 115.472 114.554 -0.009 0.000 2.812 229 T HA -0.080 4.270 4.350 -0.000 0.000 0.264 229 T C 1.938 176.575 174.700 -0.104 0.000 1.042 229 T CA 1.664 63.727 62.100 -0.063 0.000 1.140 229 T CB -0.389 68.438 68.868 -0.068 0.000 0.870 229 T HN 0.184 nan 8.240 nan 0.000 0.445 230 T N 1.465 116.015 114.554 -0.007 0.000 2.665 230 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 230 T C 2.269 177.002 174.700 0.055 0.000 1.035 230 T CA 1.430 63.572 62.100 0.071 0.000 1.151 230 T CB -1.023 67.975 68.868 0.217 0.000 0.862 230 T HN 0.518 nan 8.240 nan 0.000 0.438 231 G N 1.365 110.209 108.800 0.072 0.000 2.514 231 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.217 231 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.217 231 G C 1.863 176.776 174.900 0.021 0.000 1.198 231 G CA 1.124 46.264 45.100 0.068 0.000 0.780 231 G HN 0.615 nan 8.290 nan 0.000 0.565 232 A N 0.105 122.917 122.820 -0.014 0.000 1.933 232 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 232 A C 2.480 180.021 177.584 -0.071 0.000 1.175 232 A CA 1.282 53.302 52.037 -0.029 0.000 0.628 232 A CB -0.338 18.646 19.000 -0.027 0.000 0.814 232 A HN 0.372 nan 8.150 nan 0.000 0.444 233 L N -1.222 119.899 121.223 -0.169 0.000 2.056 233 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 233 L C 2.598 179.399 176.870 -0.114 0.000 1.078 233 L CA 1.610 56.280 54.840 -0.283 0.000 0.749 233 L CB -0.445 41.134 42.059 -0.800 0.000 0.901 233 L HN 0.436 nan 8.230 nan 0.000 0.433 234 E N -0.219 119.979 120.200 -0.003 0.000 2.153 234 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 234 E C 2.233 178.872 176.600 0.065 0.000 0.988 234 E CA 0.763 57.233 56.400 0.117 0.000 0.811 234 E CB 0.052 29.853 29.700 0.170 0.000 0.746 234 E HN 0.207 nan 8.360 nan 0.000 0.466 235 R N 0.321 120.842 120.500 0.035 0.000 2.159 235 R HA -0.078 4.262 4.340 -0.000 0.000 0.237 235 R C 1.593 177.907 176.300 0.023 0.000 1.131 235 R CA 0.996 57.114 56.100 0.029 0.000 0.982 235 R CB 0.191 30.505 30.300 0.023 0.000 0.868 235 R HN -0.044 nan 8.270 nan 0.000 0.453 236 R N -1.176 119.331 120.500 0.013 0.000 2.310 236 R HA 0.114 4.454 4.340 -0.000 0.000 0.202 236 R C 0.925 177.242 176.300 0.028 0.000 0.933 236 R CA 0.862 56.971 56.100 0.014 0.000 1.054 236 R CB 0.824 31.122 30.300 -0.002 0.000 0.985 236 R HN 0.506 nan 8.270 nan 0.000 0.489 237 G N -0.027 108.800 108.800 0.044 0.000 2.163 237 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.213 237 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.213 237 G C 0.189 175.137 174.900 0.080 0.000 0.991 237 G CA 0.025 45.157 45.100 0.053 0.000 0.653 237 G HN 0.520 nan 8.290 nan 0.000 0.518 238 A N 0.073 122.965 122.820 0.120 0.000 2.340 238 A HA 0.701 5.021 4.320 -0.000 0.000 0.268 238 A C 0.384 178.154 177.584 0.310 0.000 1.100 238 A CA 0.420 52.586 52.037 0.215 0.000 0.803 238 A CB 0.726 19.878 19.000 0.254 0.000 1.043 238 A HN 0.516 nan 8.150 nan 0.000 0.488 239 K N 1.782 122.294 120.400 0.187 0.000 2.244 239 K HA 0.370 4.690 4.320 -0.000 0.000 0.260 239 K C 0.035 176.425 176.600 -0.350 0.000 0.951 239 K CA -0.611 55.678 56.287 0.005 0.000 0.826 239 K CB 1.066 33.535 32.500 -0.052 0.000 1.108 239 K HN 0.828 nan 8.250 nan 0.000 0.433 240 R N 3.270 123.388 120.500 -0.636 0.000 2.707 240 R HA 0.295 4.635 4.340 -0.000 0.000 0.270 240 R C -0.424 175.519 176.300 -0.596 0.000 1.083 240 R CA -0.198 55.218 56.100 -1.140 0.000 1.182 240 R CB 0.539 30.354 30.300 -0.808 0.000 1.084 240 R HN 0.564 nan 8.270 nan 0.000 0.528 241 I N 2.269 122.501 120.570 -0.563 0.000 2.362 241 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 241 I C -0.102 175.790 176.117 -0.376 0.000 0.994 241 I CA -0.738 60.326 61.300 -0.392 0.000 1.158 241 I CB 1.902 39.680 38.000 -0.370 0.000 1.315 241 I HN 0.638 nan 8.210 nan 0.000 0.451 242 A N 5.787 128.432 122.820 -0.292 0.000 2.444 242 A HA 0.695 5.015 4.320 -0.000 0.000 0.273 242 A C 0.095 177.504 177.584 -0.292 0.000 1.136 242 A CA 0.009 51.893 52.037 -0.254 0.000 0.799 242 A CB -0.107 18.789 19.000 -0.173 0.000 1.081 242 A HN 0.835 nan 8.150 nan 0.000 0.509 243 A N 4.761 127.368 122.820 -0.354 0.000 2.515 243 A HA 0.895 5.215 4.320 -0.000 0.000 0.298 243 A C -3.017 174.352 177.584 -0.358 0.000 1.059 243 A CA -1.602 50.216 52.037 -0.365 0.000 0.698 243 A CB 1.390 20.055 19.000 -0.558 0.000 1.289 243 A HN 0.594 nan 8.150 nan 0.000 0.404 244 P HA 0.460 nan 4.420 nan 0.000 0.276 244 P C -0.800 176.431 177.300 -0.114 0.000 1.252 244 P CA -0.099 62.942 63.100 -0.099 0.000 0.802 244 P CB 0.370 32.083 31.700 0.021 0.000 1.035 245 F N 0.929 120.951 119.950 0.119 0.000 2.382 245 F HA 0.262 4.789 4.527 -0.000 0.000 0.331 245 F C -1.246 174.339 175.800 -0.357 0.000 1.121 245 F CA -1.906 56.075 58.000 -0.031 0.000 1.183 245 F CB 0.265 39.291 39.000 0.043 0.000 1.207 245 F HN 0.199 nan 8.300 nan 0.000 0.555 246 P HA 0.129 nan 4.420 nan 0.000 0.214 246 P C -1.124 175.566 177.300 -1.017 0.000 1.826 246 P CA 0.142 62.637 63.100 -1.008 0.000 0.977 246 P CB -0.751 29.786 31.700 -1.939 0.000 1.930 247 F N 1.138 120.852 119.950 -0.394 0.000 2.427 247 F HA 0.656 5.183 4.527 -0.000 0.000 0.346 247 F C 1.389 176.910 175.800 -0.465 0.000 1.120 247 F CA -0.031 57.668 58.000 -0.501 0.000 1.033 247 F CB 1.517 40.226 39.000 -0.484 0.000 1.126 247 F HN 0.326 nan 8.300 nan 0.000 0.462 248 G N 2.406 110.963 108.800 -0.405 0.000 2.746 248 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.685 248 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.685 248 G C 0.448 175.376 174.900 0.046 0.000 1.350 248 G CA -0.246 44.779 45.100 -0.124 0.000 0.837 248 G HN 0.653 nan 8.290 nan 0.000 0.564 249 E N 0.159 120.498 120.200 0.232 0.000 2.051 249 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 249 E C 2.119 178.873 176.600 0.256 0.000 0.991 249 E CA 2.181 58.775 56.400 0.323 0.000 0.799 249 E CB -0.167 29.711 29.700 0.297 0.000 0.748 249 E HN 0.740 nan 8.360 nan 0.000 0.449 250 E N -0.458 119.858 120.200 0.194 0.000 2.051 250 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 250 E C 2.108 178.765 176.600 0.095 0.000 0.991 250 E CA 1.504 57.986 56.400 0.138 0.000 0.799 250 E CB -0.579 29.179 29.700 0.098 0.000 0.748 250 E HN 0.304 nan 8.360 nan 0.000 0.449 251 G N -0.310 108.534 108.800 0.074 0.000 2.440 251 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 251 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 251 G C 1.652 176.499 174.900 -0.089 0.000 1.154 251 G CA 1.358 46.468 45.100 0.017 0.000 0.767 251 G HN 0.319 nan 8.290 nan 0.000 0.552 252 T N 1.028 115.435 114.554 -0.246 0.000 2.777 252 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 252 T C 2.679 177.268 174.700 -0.184 0.000 1.040 252 T CA 1.734 63.540 62.100 -0.490 0.000 1.141 252 T CB -0.517 67.759 68.868 -0.988 0.000 0.868 252 T HN 0.314 nan 8.240 nan 0.000 0.444 253 T N 2.619 117.196 114.554 0.039 0.000 2.652 253 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 253 T C 1.961 176.834 174.700 0.288 0.000 1.039 253 T CA 1.001 63.291 62.100 0.316 0.000 1.153 253 T CB -0.595 68.490 68.868 0.361 0.000 0.863 253 T HN 0.117 nan 8.240 nan 0.000 0.428 254 L N -0.669 120.647 121.223 0.155 0.000 2.042 254 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 254 L C 2.278 179.195 176.870 0.078 0.000 1.076 254 L CA 1.602 56.492 54.840 0.083 0.000 0.749 254 L CB -0.589 41.489 42.059 0.032 0.000 0.893 254 L HN 0.377 nan 8.230 nan 0.000 0.432 255 W N -0.536 120.692 121.300 -0.121 0.000 2.335 255 W HA -0.248 4.412 4.660 -0.000 0.000 0.311 255 W C 2.242 178.720 176.519 -0.068 0.000 1.213 255 W CA 1.168 58.407 57.345 -0.177 0.000 1.274 255 W CB -0.046 29.221 29.460 -0.322 0.000 1.148 255 W HN 0.010 nan 8.180 nan 0.000 0.498 256 L N 1.064 122.510 121.223 0.372 0.000 2.046 256 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 256 L C 2.349 179.402 176.870 0.305 0.000 1.077 256 L CA 2.142 57.210 54.840 0.380 0.000 0.747 256 L CB -1.889 40.442 42.059 0.453 0.000 0.896 256 L HN -0.008 nan 8.230 nan 0.000 0.432 257 K N 0.066 120.627 120.400 0.268 0.000 2.063 257 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 257 K C 2.043 178.548 176.600 -0.157 0.000 1.048 257 K CA 1.543 57.749 56.287 -0.136 0.000 0.928 257 K CB -0.367 31.968 32.500 -0.276 0.000 0.713 257 K HN 0.220 nan 8.250 nan 0.000 0.442 258 A N 0.218 122.944 122.820 -0.158 0.000 1.873 258 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 258 A C 2.315 179.783 177.584 -0.192 0.000 1.193 258 A CA 2.260 54.166 52.037 -0.218 0.000 0.629 258 A CB -1.032 17.774 19.000 -0.323 0.000 0.826 258 A HN 0.143 nan 8.150 nan 0.000 0.447 259 V N -0.104 119.679 119.914 -0.219 0.000 2.295 259 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 259 V C 3.047 179.155 176.094 0.023 0.000 1.049 259 V CA 1.995 64.220 62.300 -0.124 0.000 1.024 259 V CB -1.617 30.074 31.823 -0.220 0.000 0.648 259 V HN 0.646 nan 8.190 nan 0.000 0.447 260 A N 0.304 123.144 122.820 0.033 0.000 1.903 260 A HA -0.325 3.995 4.320 -0.000 0.000 0.219 260 A C 2.016 179.611 177.584 0.018 0.000 1.191 260 A CA 2.406 54.486 52.037 0.073 0.000 0.638 260 A CB -0.809 18.260 19.000 0.115 0.000 0.823 260 A HN 0.558 nan 8.150 nan 0.000 0.451 261 D N -0.166 120.194 120.400 -0.066 0.000 2.097 261 D HA -0.064 4.576 4.640 -0.000 0.000 0.195 261 D C 2.295 178.569 176.300 -0.043 0.000 0.989 261 D CA 1.605 55.557 54.000 -0.079 0.000 0.827 261 D CB -0.604 40.122 40.800 -0.122 0.000 0.966 261 D HN 0.433 nan 8.370 nan 0.000 0.456 262 A N -0.053 122.751 122.820 -0.027 0.000 1.917 262 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 262 A C 1.836 179.368 177.584 -0.087 0.000 1.182 262 A CA 1.346 53.352 52.037 -0.051 0.000 0.633 262 A CB -0.983 18.007 19.000 -0.017 0.000 0.819 262 A HN 0.356 nan 8.150 nan 0.000 0.448 263 Y N -1.182 119.078 120.300 -0.067 0.000 2.457 263 Y HA 0.361 4.911 4.550 -0.000 0.000 0.263 263 Y C 1.524 177.405 175.900 -0.031 0.000 1.164 263 Y CA 0.313 58.388 58.100 -0.042 0.000 1.274 263 Y CB 0.319 38.762 38.460 -0.029 0.000 1.097 263 Y HN 0.466 nan 8.280 nan 0.000 0.523 264 G N 1.310 110.154 108.800 0.074 0.000 2.368 264 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.290 264 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.290 264 G C -0.625 174.304 174.900 0.049 0.000 1.098 264 G CA -0.073 45.044 45.100 0.028 0.000 1.073 264 G HN 0.083 nan 8.290 nan 0.000 0.511 265 V N 1.527 121.478 119.914 0.060 0.000 2.461 265 V HA 0.532 4.652 4.120 -0.000 0.000 0.275 265 V C 1.324 177.454 176.094 0.059 0.000 1.047 265 V CA -0.009 62.338 62.300 0.078 0.000 0.955 265 V CB 1.451 33.350 31.823 0.127 0.000 0.988 265 V HN 1.252 nan 8.190 nan 0.000 0.471 266 S N 4.309 120.043 115.700 0.057 0.000 2.575 266 S HA 0.144 4.614 4.470 -0.000 0.000 0.295 266 S C 1.478 176.122 174.600 0.073 0.000 1.267 266 S CA 0.016 58.244 58.200 0.047 0.000 1.074 266 S CB 0.974 64.198 63.200 0.041 0.000 0.829 266 S HN 1.172 nan 8.310 nan 0.000 0.497 267 A N 3.349 126.196 122.820 0.046 0.000 1.958 267 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 267 A C 1.994 179.654 177.584 0.126 0.000 1.178 267 A CA 2.111 54.185 52.037 0.062 0.000 0.642 267 A CB -0.945 18.062 19.000 0.012 0.000 0.816 267 A HN 0.913 nan 8.150 nan 0.000 0.453 268 E N -0.281 119.970 120.200 0.086 0.000 2.051 268 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 268 E C 1.982 178.635 176.600 0.088 0.000 0.991 268 E CA 1.566 58.012 56.400 0.076 0.000 0.799 268 E CB -0.243 29.484 29.700 0.046 0.000 0.748 268 E HN 0.722 nan 8.360 nan 0.000 0.449 269 K N -0.049 120.406 120.400 0.092 0.000 2.097 269 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 269 K C 1.873 178.539 176.600 0.111 0.000 1.049 269 K CA 1.054 57.390 56.287 0.082 0.000 0.933 269 K CB -0.280 32.265 32.500 0.075 0.000 0.717 269 K HN 0.126 nan 8.250 nan 0.000 0.442 270 F N 1.802 121.763 119.950 0.019 0.000 2.102 270 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 270 F C 2.058 177.874 175.800 0.026 0.000 1.105 270 F CA 1.564 59.581 58.000 0.029 0.000 1.239 270 F CB 0.066 39.084 39.000 0.029 0.000 0.991 270 F HN 0.082 nan 8.300 nan 0.000 0.474 271 E N 0.593 120.907 120.200 0.191 0.000 2.072 271 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 271 E C 2.416 179.002 176.600 -0.022 0.000 0.985 271 E CA 1.090 57.541 56.400 0.084 0.000 0.801 271 E CB -0.891 28.878 29.700 0.114 0.000 0.750 271 E HN 0.501 nan 8.360 nan 0.000 0.452 272 A N 1.256 124.070 122.820 -0.009 0.000 1.865 272 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 272 A C 2.645 180.185 177.584 -0.074 0.000 1.191 272 A CA 1.848 53.866 52.037 -0.031 0.000 0.623 272 A CB -0.856 18.138 19.000 -0.011 0.000 0.826 272 A HN 0.141 nan 8.150 nan 0.000 0.444 273 V N -0.735 119.119 119.914 -0.100 0.000 2.407 273 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 273 V C 2.667 178.647 176.094 -0.191 0.000 1.055 273 V CA 2.471 64.694 62.300 -0.129 0.000 1.049 273 V CB -1.100 30.647 31.823 -0.128 0.000 0.662 273 V HN 0.616 nan 8.190 nan 0.000 0.455 274 T N -0.312 114.069 114.554 -0.287 0.000 2.814 274 T HA 0.066 4.416 4.350 -0.000 0.000 0.254 274 T C 2.112 176.645 174.700 -0.279 0.000 1.037 274 T CA 1.211 63.102 62.100 -0.348 0.000 1.143 274 T CB -0.314 68.208 68.868 -0.577 0.000 0.866 274 T HN 0.511 nan 8.240 nan 0.000 0.431 275 A N 1.942 124.657 122.820 -0.176 0.000 1.896 275 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 275 A C 2.573 180.066 177.584 -0.151 0.000 1.206 275 A CA 2.494 54.454 52.037 -0.127 0.000 0.647 275 A CB -1.410 17.550 19.000 -0.067 0.000 0.828 275 A HN 0.542 nan 8.150 nan 0.000 0.455 276 A N 0.035 122.773 122.820 -0.138 0.000 1.859 276 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 276 A C 0.381 177.872 177.584 -0.155 0.000 1.209 276 A CA 2.215 54.180 52.037 -0.120 0.000 0.639 276 A CB -1.807 17.136 19.000 -0.095 0.000 0.835 276 A HN 0.552 nan 8.150 nan 0.000 0.450 277 P HA 0.036 nan 4.420 nan 0.000 0.249 277 P C 1.266 178.266 177.300 -0.500 0.000 1.229 277 P CA 0.348 63.288 63.100 -0.267 0.000 0.788 277 P CB 0.102 31.672 31.700 -0.216 0.000 1.072 278 R N 0.737 120.908 120.500 -0.548 0.000 2.051 278 R HA 0.055 4.395 4.340 -0.000 0.000 0.225 278 R C 2.193 178.361 176.300 -0.221 0.000 1.155 278 R CA 1.429 57.193 56.100 -0.559 0.000 0.945 278 R CB -0.802 29.279 30.300 -0.365 0.000 0.840 278 R HN 0.041 nan 8.270 nan 0.000 0.432 279 A N 1.431 124.166 122.820 -0.143 0.000 2.019 279 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 279 A C 2.154 179.709 177.584 -0.048 0.000 1.164 279 A CA 1.285 53.283 52.037 -0.066 0.000 0.644 279 A CB -0.557 18.412 19.000 -0.052 0.000 0.805 279 A HN 0.360 nan 8.150 nan 0.000 0.449 280 R N -0.257 120.200 120.500 -0.071 0.000 2.066 280 R HA -0.074 4.265 4.340 -0.000 0.000 0.232 280 R C 2.300 178.599 176.300 -0.001 0.000 1.131 280 R CA 1.467 57.544 56.100 -0.038 0.000 0.955 280 R CB -0.462 29.807 30.300 -0.052 0.000 0.851 280 R HN 0.396 nan 8.270 nan 0.000 0.432 281 A N 1.610 124.432 122.820 0.004 0.000 1.877 281 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 281 A C 2.147 179.793 177.584 0.103 0.000 1.186 281 A CA 1.779 53.869 52.037 0.089 0.000 0.620 281 A CB -0.563 18.546 19.000 0.181 0.000 0.822 281 A HN 0.449 nan 8.150 nan 0.000 0.443 282 K N -0.071 120.376 120.400 0.079 0.000 2.113 282 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 282 K C 2.175 178.810 176.600 0.058 0.000 1.047 282 K CA 1.913 58.248 56.287 0.080 0.000 0.928 282 K CB -0.161 32.371 32.500 0.053 0.000 0.716 282 K HN 0.447 nan 8.250 nan 0.000 0.446 283 K N 0.014 120.434 120.400 0.033 0.000 2.097 283 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 283 K C 1.634 178.244 176.600 0.017 0.000 1.050 283 K CA 1.258 57.555 56.287 0.017 0.000 0.938 283 K CB -0.116 32.386 32.500 0.004 0.000 0.718 283 K HN 0.234 nan 8.250 nan 0.000 0.442 284 A N 0.724 123.567 122.820 0.039 0.000 2.235 284 A HA 0.065 4.385 4.320 -0.000 0.000 0.208 284 A C 1.691 179.324 177.584 0.081 0.000 1.172 284 A CA 0.434 52.498 52.037 0.044 0.000 0.786 284 A CB -0.284 18.760 19.000 0.073 0.000 0.804 284 A HN 0.303 nan 8.150 nan 0.000 0.479 285 I N -1.295 119.339 120.570 0.106 0.000 2.927 285 I HA -0.032 4.138 4.170 -0.000 0.000 0.268 285 I C 2.680 178.842 176.117 0.074 0.000 1.153 285 I CA 0.775 62.176 61.300 0.168 0.000 1.459 285 I CB -0.256 37.857 38.000 0.189 0.000 1.149 285 I HN 0.273 nan 8.210 nan 0.000 0.443 286 A N 1.252 124.086 122.820 0.024 0.000 2.131 286 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 286 A C 2.450 180.001 177.584 -0.056 0.000 1.158 286 A CA 1.670 53.704 52.037 -0.005 0.000 0.665 286 A CB -0.576 18.421 19.000 -0.005 0.000 0.795 286 A HN 0.439 nan 8.150 nan 0.000 0.460 287 A N -1.054 121.678 122.820 -0.148 0.000 1.972 287 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 287 A C 1.718 179.095 177.584 -0.346 0.000 1.169 287 A CA 1.453 53.306 52.037 -0.306 0.000 0.635 287 A CB -0.610 18.095 19.000 -0.491 0.000 0.810 287 A HN 0.693 nan 8.150 nan 0.000 0.446 288 H N -1.429 117.670 119.070 0.049 0.000 2.542 288 H HA 0.318 4.874 4.556 -0.000 0.000 0.283 288 H C 1.496 176.843 175.328 0.032 0.000 1.059 288 H CA -0.192 55.887 56.048 0.051 0.000 1.162 288 H CB 0.025 29.834 29.762 0.079 0.000 1.539 288 H HN 0.366 nan 8.280 nan 0.000 0.543 289 L N 0.462 121.730 121.223 0.075 0.000 2.044 289 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 289 L C 2.062 178.954 176.870 0.037 0.000 1.075 289 L CA 1.316 56.182 54.840 0.044 0.000 0.747 289 L CB 0.078 42.147 42.059 0.017 0.000 0.903 289 L HN 0.149 nan 8.230 nan 0.000 0.435 290 E N -0.956 119.264 120.200 0.033 0.000 2.085 290 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 290 E C 2.035 178.657 176.600 0.037 0.000 0.994 290 E CA 1.775 58.191 56.400 0.028 0.000 0.801 290 E CB -0.440 29.274 29.700 0.023 0.000 0.743 290 E HN 0.274 nan 8.360 nan 0.000 0.453 291 T N -0.710 113.878 114.554 0.057 0.000 3.035 291 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 291 T C 1.251 175.986 174.700 0.058 0.000 1.109 291 T CA 0.592 62.730 62.100 0.064 0.000 1.119 291 T CB 0.020 68.940 68.868 0.087 0.000 0.900 291 T HN -0.047 nan 8.240 nan 0.000 0.503 292 L N 0.846 122.100 121.223 0.051 0.000 2.388 292 L HA 0.364 4.703 4.340 -0.000 0.000 0.209 292 L C 1.192 178.063 176.870 0.002 0.000 1.061 292 L CA 0.835 55.692 54.840 0.028 0.000 0.834 292 L CB -0.651 41.419 42.059 0.019 0.000 1.029 292 L HN 0.160 nan 8.230 nan 0.000 0.473 293 T N 0.349 114.903 114.554 0.001 0.000 2.829 293 T HA 0.388 4.738 4.350 -0.000 0.000 0.293 293 T C 1.241 175.939 174.700 -0.004 0.000 0.970 293 T CA 0.757 62.852 62.100 -0.009 0.000 1.168 293 T CB 0.453 69.319 68.868 -0.004 0.000 0.911 293 T HN 0.553 nan 8.240 nan 0.000 0.535 294 G N 3.044 111.837 108.800 -0.011 0.000 2.299 294 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.237 294 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.237 294 G C 0.198 175.096 174.900 -0.004 0.000 1.027 294 G CA -0.195 44.901 45.100 -0.007 0.000 0.619 294 G HN 0.649 nan 8.290 nan 0.000 0.513 295 K N 2.144 122.545 120.400 0.002 0.000 2.448 295 K HA 0.475 4.795 4.320 -0.000 0.000 0.278 295 K C 0.933 177.537 176.600 0.008 0.000 1.009 295 K CA 0.733 57.028 56.287 0.013 0.000 0.995 295 K CB 0.887 33.403 32.500 0.027 0.000 0.917 295 K HN 0.603 nan 8.250 nan 0.000 0.481 296 S N 2.721 118.432 115.700 0.018 0.000 2.562 296 S HA 0.479 4.949 4.470 -0.000 0.000 0.275 296 S C -0.514 174.112 174.600 0.045 0.000 1.281 296 S CA -0.980 57.231 58.200 0.019 0.000 1.045 296 S CB 0.704 63.913 63.200 0.016 0.000 0.962 296 S HN 0.423 nan 8.310 nan 0.000 0.503 297 L N 3.087 124.335 121.223 0.042 0.000 2.365 297 L HA 0.808 5.148 4.340 -0.000 0.000 0.273 297 L C -1.427 175.514 176.870 0.118 0.000 1.000 297 L CA -0.825 54.058 54.840 0.072 0.000 0.819 297 L CB 1.687 43.748 42.059 0.003 0.000 1.284 297 L HN 0.846 nan 8.230 nan 0.000 0.418 298 F N 5.341 125.289 119.950 -0.004 0.000 2.547 298 F HA 0.725 5.252 4.527 -0.000 0.000 0.316 298 F C -1.093 174.699 175.800 -0.015 0.000 1.121 298 F CA -0.662 57.314 58.000 -0.041 0.000 0.911 298 F CB 1.801 40.784 39.000 -0.029 0.000 1.179 298 F HN 0.397 nan 8.300 nan 0.000 0.443 299 M N 6.343 125.793 119.600 -0.250 0.000 2.321 299 M HA 0.413 4.893 4.480 -0.000 0.000 0.315 299 M C -1.396 174.774 176.300 -0.217 0.000 1.052 299 M CA -0.602 54.665 55.300 -0.055 0.000 0.936 299 M CB 2.059 34.638 32.600 -0.034 0.000 1.639 299 M HN 0.397 nan 8.290 nan 0.000 0.433 300 F N 2.886 122.892 119.950 0.094 0.000 2.370 300 F HA 0.473 5.000 4.527 -0.000 0.000 0.324 300 F C -1.767 174.058 175.800 0.042 0.000 1.116 300 F CA -1.769 56.283 58.000 0.087 0.000 1.123 300 F CB 0.640 39.720 39.000 0.134 0.000 1.238 300 F HN 0.300 nan 8.300 nan 0.000 0.536 301 P HA 0.124 nan 4.420 nan 0.000 0.276 301 P C -0.863 176.543 177.300 0.176 0.000 1.235 301 P CA 0.142 63.339 63.100 0.162 0.000 0.772 301 P CB 1.595 33.378 31.700 0.139 0.000 0.871 302 D N 1.421 121.930 120.400 0.182 0.000 2.618 302 D HA -0.022 4.618 4.640 -0.000 0.000 0.278 302 D C 1.104 177.615 176.300 0.351 0.000 1.203 302 D CA 0.656 54.785 54.000 0.215 0.000 1.073 302 D CB 0.260 41.175 40.800 0.190 0.000 1.632 302 D HN 0.461 nan 8.370 nan 0.000 0.473 303 S N -0.671 115.202 115.700 0.287 0.000 2.744 303 S HA 0.132 4.602 4.470 -0.000 0.000 0.265 303 S C 0.718 175.400 174.600 0.137 0.000 1.065 303 S CA -0.127 58.200 58.200 0.212 0.000 1.191 303 S CB 1.616 64.922 63.200 0.178 0.000 1.150 303 S HN 0.131 nan 8.310 nan 0.000 0.646 304 Q N -0.272 119.631 119.800 0.172 0.000 2.342 304 Q HA -0.161 4.179 4.340 -0.000 0.000 0.196 304 Q C 0.547 176.616 176.000 0.116 0.000 0.629 304 Q CA 1.269 57.182 55.803 0.183 0.000 1.365 304 Q CB -2.072 26.834 28.738 0.279 0.000 1.406 304 Q HN 0.566 nan 8.270 nan 0.000 0.840 305 L N 0.300 121.572 121.223 0.082 0.000 2.591 305 L HA -0.025 4.315 4.340 -0.000 0.000 0.228 305 L C 1.801 178.600 176.870 -0.118 0.000 1.133 305 L CA 0.454 55.261 54.840 -0.055 0.000 0.880 305 L CB 0.073 42.088 42.059 -0.072 0.000 1.033 305 L HN 0.138 nan 8.230 nan 0.000 0.450 306 E N 0.668 120.849 120.200 -0.033 0.000 2.017 306 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 306 E C 2.145 178.707 176.600 -0.063 0.000 0.997 306 E CA 1.397 57.771 56.400 -0.042 0.000 0.804 306 E CB -0.167 29.525 29.700 -0.014 0.000 0.757 306 E HN 0.342 nan 8.360 nan 0.000 0.448 307 I N 0.869 121.423 120.570 -0.027 0.000 2.151 307 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 307 I C -0.819 175.304 176.117 0.010 0.000 1.080 307 I CA 1.285 62.584 61.300 -0.001 0.000 1.339 307 I CB -1.138 36.887 38.000 0.042 0.000 1.039 307 I HN 0.174 nan 8.210 nan 0.000 0.409 308 P HA -0.080 nan 4.420 nan 0.000 0.218 308 P C 1.943 179.212 177.300 -0.052 0.000 1.152 308 P CA 1.258 64.402 63.100 0.073 0.000 0.826 308 P CB 0.011 31.841 31.700 0.217 0.000 0.790 309 L N -0.722 120.342 121.223 -0.265 0.000 2.083 309 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 309 L C 2.512 179.308 176.870 -0.124 0.000 1.083 309 L CA 1.536 56.225 54.840 -0.253 0.000 0.752 309 L CB -1.121 40.748 42.059 -0.316 0.000 0.899 309 L HN -0.048 nan 8.230 nan 0.000 0.433 310 A N -0.293 122.463 122.820 -0.107 0.000 1.930 310 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 310 A C 2.457 180.013 177.584 -0.048 0.000 1.175 310 A CA 1.241 53.221 52.037 -0.095 0.000 0.627 310 A CB -0.481 18.473 19.000 -0.076 0.000 0.815 310 A HN 0.254 nan 8.150 nan 0.000 0.443 311 R N -0.952 119.554 120.500 0.009 0.000 2.092 311 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 311 R C 1.812 178.151 176.300 0.064 0.000 1.119 311 R CA 1.853 57.986 56.100 0.054 0.000 0.970 311 R CB -0.689 29.665 30.300 0.091 0.000 0.864 311 R HN 0.556 nan 8.270 nan 0.000 0.440 312 F N 0.759 120.663 119.950 -0.077 0.000 2.293 312 F HA 0.024 4.551 4.527 -0.000 0.000 0.297 312 F C 1.732 177.462 175.800 -0.116 0.000 1.089 312 F CA 0.818 58.772 58.000 -0.077 0.000 1.377 312 F CB -0.090 38.863 39.000 -0.079 0.000 1.051 312 F HN -0.057 nan 8.300 nan 0.000 0.511 313 L N -0.150 120.846 121.223 -0.379 0.000 2.179 313 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 313 L C 2.703 179.380 176.870 -0.322 0.000 1.096 313 L CA 0.890 55.424 54.840 -0.509 0.000 0.779 313 L CB -0.934 40.865 42.059 -0.432 0.000 0.922 313 L HN 0.233 nan 8.230 nan 0.000 0.443 314 A N 0.396 123.108 122.820 -0.179 0.000 1.840 314 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 314 A C 2.358 179.918 177.584 -0.040 0.000 1.198 314 A CA 1.152 53.149 52.037 -0.066 0.000 0.608 314 A CB -0.337 18.680 19.000 0.029 0.000 0.839 314 A HN 0.267 nan 8.150 nan 0.000 0.443 315 R N -0.561 119.911 120.500 -0.046 0.000 2.153 315 R HA 0.026 4.366 4.340 -0.000 0.000 0.218 315 R C 1.758 177.999 176.300 -0.098 0.000 1.072 315 R CA 1.373 57.447 56.100 -0.044 0.000 0.990 315 R CB -0.048 30.186 30.300 -0.109 0.000 0.889 315 R HN 0.643 nan 8.270 nan 0.000 0.452 316 E N -1.083 118.986 120.200 -0.218 0.000 2.290 316 E HA 0.029 4.379 4.350 -0.000 0.000 0.199 316 E C 1.296 177.737 176.600 -0.265 0.000 0.912 316 E CA 0.282 56.543 56.400 -0.232 0.000 0.924 316 E CB 0.546 30.105 29.700 -0.235 0.000 0.901 316 E HN 0.211 nan 8.360 nan 0.000 0.487 317 C N 0.065 119.133 119.300 -0.387 0.000 2.799 317 C HA 0.332 4.792 4.460 -0.000 0.000 0.267 317 C C 1.521 176.423 174.990 -0.146 0.000 1.257 317 C CA 0.322 59.181 59.018 -0.265 0.000 1.702 317 C CB -0.221 27.304 27.740 -0.358 0.000 1.934 317 C HN 0.682 nan 8.230 nan 0.000 0.594 318 G N 1.154 109.878 108.800 -0.127 0.000 2.137 318 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.237 318 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.237 318 G C -0.048 174.818 174.900 -0.055 0.000 1.002 318 G CA 0.011 45.075 45.100 -0.060 0.000 0.702 318 G HN 0.483 nan 8.290 nan 0.000 0.515 319 M N -0.267 119.282 119.600 -0.085 0.000 2.227 319 M HA 0.399 4.879 4.480 -0.000 0.000 0.316 319 M C 0.643 176.914 176.300 -0.050 0.000 1.144 319 M CA 0.119 55.378 55.300 -0.067 0.000 1.121 319 M CB 0.813 33.355 32.600 -0.097 0.000 1.440 319 M HN 0.026 nan 8.290 nan 0.000 0.473 320 K N 1.392 121.770 120.400 -0.037 0.000 2.206 320 K HA 0.350 4.670 4.320 -0.000 0.000 0.264 320 K C -0.276 176.304 176.600 -0.034 0.000 0.967 320 K CA -0.572 55.694 56.287 -0.036 0.000 0.844 320 K CB 1.231 33.713 32.500 -0.030 0.000 1.099 320 K HN 0.703 nan 8.250 nan 0.000 0.441 321 T N -0.598 113.931 114.554 -0.042 0.000 2.899 321 T HA 0.153 4.503 4.350 -0.000 0.000 0.295 321 T C 1.072 175.749 174.700 -0.039 0.000 1.033 321 T CA -0.382 61.690 62.100 -0.047 0.000 1.084 321 T CB 1.160 69.995 68.868 -0.055 0.000 0.979 321 T HN 0.721 nan 8.240 nan 0.000 0.532 322 T N -0.923 113.607 114.554 -0.040 0.000 3.409 322 T HA 0.360 4.710 4.350 -0.000 0.000 0.188 322 T C 0.029 174.677 174.700 -0.086 0.000 0.929 322 T CA -0.440 61.650 62.100 -0.017 0.000 1.184 322 T CB -0.100 68.819 68.868 0.084 0.000 1.570 322 T HN 0.705 nan 8.240 nan 0.000 0.367 323 E N 0.607 120.688 120.200 -0.199 0.000 2.176 323 E HA 0.491 4.841 4.350 -0.000 0.000 0.267 323 E C -1.466 174.759 176.600 -0.626 0.000 0.893 323 E CA -0.782 55.373 56.400 -0.409 0.000 0.761 323 E CB 1.069 30.489 29.700 -0.467 0.000 1.133 323 E HN 0.345 nan 8.360 nan 0.000 0.409 324 I N 3.333 123.670 120.570 -0.388 0.000 2.382 324 I HA 0.401 4.571 4.170 -0.000 0.000 0.285 324 I C -0.147 175.815 176.117 -0.257 0.000 1.007 324 I CA -0.620 60.488 61.300 -0.319 0.000 1.142 324 I CB 0.812 38.708 38.000 -0.174 0.000 1.289 324 I HN 0.466 nan 8.210 nan 0.000 0.453 325 A N 4.457 127.115 122.820 -0.271 0.000 2.337 325 A HA 0.822 5.142 4.320 -0.000 0.000 0.329 325 A C -0.145 177.415 177.584 -0.040 0.000 1.146 325 A CA -0.516 51.430 52.037 -0.151 0.000 0.800 325 A CB 1.560 20.459 19.000 -0.170 0.000 1.220 325 A HN 0.624 nan 8.150 nan 0.000 0.472 326 T N 2.200 116.758 114.554 0.006 0.000 2.900 326 T HA 0.617 4.967 4.350 -0.000 0.000 0.295 326 T C -2.149 172.613 174.700 0.102 0.000 1.044 326 T CA -1.680 60.460 62.100 0.066 0.000 0.995 326 T CB 1.828 70.738 68.868 0.070 0.000 1.072 326 T HN 0.375 nan 8.240 nan 0.000 0.473 327 P HA 0.123 nan 4.420 nan 0.000 0.221 327 P C -0.078 177.374 177.300 0.253 0.000 1.150 327 P CA 0.579 63.789 63.100 0.183 0.000 0.800 327 P CB 0.157 31.979 31.700 0.203 0.000 0.787 328 F N 0.084 120.089 119.950 0.092 0.000 2.630 328 F HA 0.433 4.960 4.527 -0.000 0.000 0.325 328 F C -1.623 174.240 175.800 0.106 0.000 1.184 328 F CA -1.307 56.749 58.000 0.094 0.000 1.011 328 F CB 1.510 40.576 39.000 0.110 0.000 1.268 328 F HN -0.374 nan 8.300 nan 0.000 0.480 329 L N 7.150 128.172 121.223 -0.334 0.000 2.297 329 L HA 0.350 4.690 4.340 -0.000 0.000 0.277 329 L C -0.894 175.871 176.870 -0.175 0.000 1.040 329 L CA -0.350 54.416 54.840 -0.124 0.000 0.867 329 L CB -0.107 41.893 42.059 -0.098 0.000 1.244 329 L HN 0.638 nan 8.230 nan 0.000 0.433 330 H N 3.367 122.501 119.070 0.107 0.000 3.067 330 H HA 0.076 4.632 4.556 -0.000 0.000 0.265 330 H C 1.040 176.445 175.328 0.129 0.000 1.234 330 H CA 0.126 56.314 56.048 0.232 0.000 1.452 330 H CB 0.765 30.792 29.762 0.441 0.000 1.527 330 H HN 0.656 nan 8.280 nan 0.000 0.486 331 K N 3.948 124.469 120.400 0.203 0.000 2.032 331 K HA -0.229 4.091 4.320 -0.000 0.000 0.218 331 K C 1.939 178.683 176.600 0.239 0.000 1.054 331 K CA 2.146 58.531 56.287 0.165 0.000 0.941 331 K CB -0.347 32.191 32.500 0.064 0.000 0.720 331 K HN 0.627 nan 8.250 nan 0.000 0.449 332 A N -0.173 122.859 122.820 0.352 0.000 2.015 332 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 332 A C 2.180 179.834 177.584 0.116 0.000 1.163 332 A CA 1.472 53.637 52.037 0.213 0.000 0.646 332 A CB -0.494 18.644 19.000 0.230 0.000 0.806 332 A HN 0.366 nan 8.150 nan 0.000 0.448 333 I N -2.052 118.569 120.570 0.086 0.000 2.584 333 I HA -0.079 4.091 4.170 -0.000 0.000 0.255 333 I C 2.244 178.456 176.117 0.159 0.000 1.145 333 I CA 0.928 62.237 61.300 0.015 0.000 1.462 333 I CB -0.085 37.852 38.000 -0.104 0.000 1.102 333 I HN 0.235 nan 8.210 nan 0.000 0.433 334 M N 0.514 120.233 119.600 0.198 0.000 2.541 334 M HA 0.181 4.660 4.480 -0.000 0.000 0.252 334 M C 2.118 178.500 176.300 0.137 0.000 1.125 334 M CA 0.500 55.926 55.300 0.209 0.000 1.091 334 M CB -0.384 32.330 32.600 0.191 0.000 1.420 334 M HN 0.191 nan 8.290 nan 0.000 0.486 335 A N 1.172 124.052 122.820 0.101 0.000 1.915 335 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 335 A C -0.361 177.249 177.584 0.043 0.000 1.198 335 A CA 2.141 54.215 52.037 0.062 0.000 0.647 335 A CB -2.216 16.810 19.000 0.043 0.000 0.825 335 A HN 0.396 nan 8.150 nan 0.000 0.456 336 P HA -0.072 nan 4.420 nan 0.000 0.217 336 P C 0.791 178.114 177.300 0.039 0.000 1.151 336 P CA 1.288 64.390 63.100 0.003 0.000 0.828 336 P CB -0.027 31.642 31.700 -0.051 0.000 0.788 337 D N -0.853 119.601 120.400 0.091 0.000 2.137 337 D HA -0.016 4.624 4.640 -0.000 0.000 0.202 337 D C 2.055 178.411 176.300 0.093 0.000 0.970 337 D CA 0.826 54.897 54.000 0.118 0.000 0.837 337 D CB -0.461 40.461 40.800 0.203 0.000 0.981 337 D HN 0.114 nan 8.370 nan 0.000 0.475 338 L N 0.924 122.199 121.223 0.088 0.000 2.127 338 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 338 L C 2.275 179.185 176.870 0.067 0.000 1.089 338 L CA 1.002 55.885 54.840 0.071 0.000 0.757 338 L CB -0.285 41.811 42.059 0.062 0.000 0.899 338 L HN -0.036 nan 8.230 nan 0.000 0.434 339 A N -0.733 122.122 122.820 0.058 0.000 2.235 339 A HA 0.075 4.395 4.320 -0.000 0.000 0.208 339 A C 1.797 179.420 177.584 0.064 0.000 1.172 339 A CA 0.659 52.728 52.037 0.054 0.000 0.786 339 A CB -0.281 18.738 19.000 0.032 0.000 0.804 339 A HN 0.463 nan 8.150 nan 0.000 0.479 340 L N -1.200 120.062 121.223 0.065 0.000 2.858 340 L HA 0.334 4.674 4.340 -0.000 0.000 0.251 340 L C 0.176 177.135 176.870 0.149 0.000 1.149 340 L CA -0.220 54.643 54.840 0.039 0.000 0.955 340 L CB -0.045 41.998 42.059 -0.026 0.000 1.289 340 L HN 0.171 nan 8.230 nan 0.000 0.542 341 L N 2.557 123.880 121.223 0.167 0.000 2.380 341 L HA 0.248 4.588 4.340 -0.000 0.000 0.273 341 L C -1.899 175.109 176.870 0.230 0.000 1.138 341 L CA -1.685 53.262 54.840 0.178 0.000 0.832 341 L CB 0.911 43.022 42.059 0.087 0.000 1.124 341 L HN -0.256 nan 8.230 nan 0.000 0.454 342 P HA -0.091 nan 4.420 nan 0.000 0.255 342 P C 0.316 177.577 177.300 -0.064 0.000 1.161 342 P CA 0.344 63.406 63.100 -0.063 0.000 0.768 342 P CB 0.316 31.973 31.700 -0.072 0.000 0.746 343 S N 1.832 117.471 115.700 -0.103 0.000 2.723 343 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 343 S C 1.161 175.722 174.600 -0.064 0.000 0.967 343 S CA 0.199 58.364 58.200 -0.058 0.000 0.958 343 S CB -0.932 62.235 63.200 -0.054 0.000 0.778 343 S HN 0.535 nan 8.310 nan 0.000 0.537 344 N N 0.584 119.236 118.700 -0.079 0.000 2.373 344 N HA -0.041 4.699 4.740 -0.000 0.000 0.181 344 N C -0.356 175.122 175.510 -0.053 0.000 1.082 344 N CA 0.075 53.085 53.050 -0.066 0.000 0.885 344 N CB -0.424 38.016 38.487 -0.078 0.000 0.977 344 N HN 0.178 nan 8.380 nan 0.000 0.462 345 T N 1.629 116.152 114.554 -0.050 0.000 2.888 345 T HA 0.323 4.673 4.350 -0.000 0.000 0.301 345 T C 0.287 174.954 174.700 -0.055 0.000 1.001 345 T CA -0.327 61.741 62.100 -0.054 0.000 1.147 345 T CB 1.199 70.038 68.868 -0.048 0.000 0.931 345 T HN 0.306 nan 8.240 nan 0.000 0.541 346 A N 4.350 127.128 122.820 -0.070 0.000 2.302 346 A HA 0.570 4.890 4.320 -0.000 0.000 0.295 346 A C -0.082 177.444 177.584 -0.098 0.000 1.235 346 A CA -0.640 51.354 52.037 -0.071 0.000 0.876 346 A CB -0.244 18.718 19.000 -0.065 0.000 1.133 346 A HN 0.823 nan 8.150 nan 0.000 0.533 347 L N 2.581 123.760 121.223 -0.073 0.000 2.295 347 L HA 0.530 4.870 4.340 -0.000 0.000 0.285 347 L C 0.109 176.936 176.870 -0.071 0.000 1.035 347 L CA -0.139 54.656 54.840 -0.076 0.000 0.806 347 L CB 1.968 43.998 42.059 -0.048 0.000 1.214 347 L HN 0.602 nan 8.230 nan 0.000 0.426 348 T N 1.933 116.437 114.554 -0.082 0.000 2.812 348 T HA 0.265 4.615 4.350 -0.000 0.000 0.282 348 T C -0.705 173.971 174.700 -0.040 0.000 0.990 348 T CA -0.555 61.509 62.100 -0.059 0.000 0.960 348 T CB 1.658 70.484 68.868 -0.070 0.000 0.948 348 T HN 0.520 nan 8.240 nan 0.000 0.438 349 E N 2.422 122.603 120.200 -0.032 0.000 2.133 349 E HA 0.545 4.895 4.350 -0.000 0.000 0.274 349 E C 0.552 177.153 176.600 0.001 0.000 0.930 349 E CA -0.104 56.281 56.400 -0.025 0.000 0.770 349 E CB 0.767 30.421 29.700 -0.077 0.000 1.104 349 E HN 0.957 nan 8.360 nan 0.000 0.403 350 G N 3.368 112.191 108.800 0.038 0.000 2.508 350 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 350 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 350 G C -0.734 174.205 174.900 0.065 0.000 1.287 350 G CA -0.005 45.130 45.100 0.059 0.000 0.916 350 G HN 0.729 nan 8.290 nan 0.000 0.574 351 Q N -0.459 119.381 119.800 0.067 0.000 2.776 351 Q HA 0.450 4.790 4.340 -0.000 0.000 0.248 351 Q C -2.576 173.469 176.000 0.074 0.000 0.990 351 Q CA -0.140 55.715 55.803 0.087 0.000 0.953 351 Q CB 1.596 30.408 28.738 0.122 0.000 1.801 351 Q HN 0.863 nan 8.270 nan 0.000 0.448 352 D N 3.677 124.125 120.400 0.080 0.000 2.454 352 D HA 0.218 4.858 4.640 -0.000 0.000 0.247 352 D C 0.544 176.895 176.300 0.085 0.000 1.129 352 D CA -0.554 53.485 54.000 0.066 0.000 0.877 352 D CB 1.258 42.090 40.800 0.052 0.000 1.082 352 D HN 0.533 nan 8.370 nan 0.000 0.537 353 L N 3.719 124.986 121.223 0.073 0.000 1.978 353 L HA -0.176 4.164 4.340 -0.000 0.000 0.218 353 L C 1.814 178.735 176.870 0.084 0.000 1.075 353 L CA 1.974 56.861 54.840 0.078 0.000 0.767 353 L CB -0.420 41.649 42.059 0.017 0.000 0.890 353 L HN 0.514 nan 8.230 nan 0.000 0.434 354 E N -0.251 119.979 120.200 0.051 0.000 2.058 354 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 354 E C 2.174 178.814 176.600 0.067 0.000 0.997 354 E CA 1.558 57.986 56.400 0.047 0.000 0.801 354 E CB -0.647 29.071 29.700 0.030 0.000 0.746 354 E HN 0.646 nan 8.360 nan 0.000 0.450 355 A N 0.891 123.753 122.820 0.070 0.000 1.930 355 A HA -0.215 4.104 4.320 -0.000 0.000 0.217 355 A C 2.148 179.796 177.584 0.105 0.000 1.175 355 A CA 1.718 53.798 52.037 0.073 0.000 0.627 355 A CB -0.481 18.554 19.000 0.059 0.000 0.815 355 A HN 0.252 nan 8.150 nan 0.000 0.443 356 Q N -0.639 119.251 119.800 0.150 0.000 2.172 356 Q HA 0.008 4.348 4.340 -0.000 0.000 0.200 356 Q C 1.904 178.062 176.000 0.262 0.000 0.964 356 Q CA 0.681 56.618 55.803 0.222 0.000 0.855 356 Q CB -0.132 28.782 28.738 0.294 0.000 0.918 356 Q HN 0.658 nan 8.270 nan 0.000 0.444 357 L N 0.626 121.987 121.223 0.230 0.000 2.056 357 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 357 L C 1.756 178.699 176.870 0.122 0.000 1.078 357 L CA 1.256 56.202 54.840 0.176 0.000 0.749 357 L CB -0.529 41.584 42.059 0.090 0.000 0.901 357 L HN 0.297 nan 8.230 nan 0.000 0.433 358 D N -0.008 120.447 120.400 0.092 0.000 2.117 358 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 358 D C 2.302 178.631 176.300 0.048 0.000 0.987 358 D CA 1.073 55.111 54.000 0.062 0.000 0.829 358 D CB -0.087 40.743 40.800 0.051 0.000 0.961 358 D HN 0.247 nan 8.370 nan 0.000 0.460 359 R N -0.258 120.282 120.500 0.067 0.000 2.115 359 R HA -0.110 4.230 4.340 -0.000 0.000 0.230 359 R C 2.334 178.624 176.300 -0.017 0.000 1.111 359 R CA 0.766 56.900 56.100 0.057 0.000 0.976 359 R CB -0.401 29.969 30.300 0.117 0.000 0.870 359 R HN 0.442 nan 8.270 nan 0.000 0.445 360 H N 1.293 120.241 119.070 -0.203 0.000 2.276 360 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 360 H C 1.749 176.862 175.328 -0.358 0.000 1.073 360 H CA 1.319 57.039 56.048 -0.546 0.000 1.311 360 H CB 0.256 29.643 29.762 -0.625 0.000 1.379 360 H HN 0.098 nan 8.280 nan 0.000 0.494 361 E N 0.549 120.673 120.200 -0.128 0.000 2.086 361 E HA -0.198 4.152 4.350 -0.000 0.000 0.200 361 E C 2.263 178.805 176.600 -0.096 0.000 1.012 361 E CA 1.220 57.581 56.400 -0.065 0.000 0.812 361 E CB -0.333 29.405 29.700 0.063 0.000 0.743 361 E HN 0.579 nan 8.360 nan 0.000 0.453 362 A N 0.626 123.400 122.820 -0.077 0.000 1.933 362 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 362 A C 2.254 179.791 177.584 -0.079 0.000 1.175 362 A CA 1.066 53.072 52.037 -0.052 0.000 0.628 362 A CB -0.480 18.506 19.000 -0.023 0.000 0.814 362 A HN 0.189 nan 8.150 nan 0.000 0.444 363 I N -1.005 119.481 120.570 -0.141 0.000 2.353 363 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 363 I C 0.833 176.852 176.117 -0.164 0.000 1.119 363 I CA 0.789 62.007 61.300 -0.135 0.000 1.417 363 I CB -0.288 37.634 38.000 -0.130 0.000 1.078 363 I HN 0.472 nan 8.210 nan 0.000 0.421 364 N N 1.156 119.689 118.700 -0.278 0.000 2.642 364 N HA -0.125 4.615 4.740 -0.000 0.000 0.269 364 N C -2.267 173.151 175.510 -0.154 0.000 1.073 364 N CA 0.067 52.994 53.050 -0.206 0.000 0.748 364 N CB -0.615 37.865 38.487 -0.012 0.000 0.894 364 N HN 0.203 nan 8.380 nan 0.000 0.548 365 P HA 0.213 nan 4.420 nan 0.000 0.276 365 P C 0.389 177.700 177.300 0.018 0.000 1.244 365 P CA -0.289 62.758 63.100 -0.089 0.000 0.801 365 P CB 0.792 32.453 31.700 -0.064 0.000 1.006 366 D N -0.262 120.168 120.400 0.050 0.000 2.084 366 D HA -0.047 4.593 4.640 -0.000 0.000 0.196 366 D C 0.481 176.852 176.300 0.117 0.000 0.985 366 D CA 1.612 55.659 54.000 0.078 0.000 0.826 366 D CB -0.067 40.768 40.800 0.059 0.000 0.978 366 D HN 0.154 nan 8.370 nan 0.000 0.456 367 L N -0.212 121.089 121.223 0.130 0.000 2.386 367 L HA 0.367 4.707 4.340 -0.000 0.000 0.271 367 L C -1.056 175.952 176.870 0.230 0.000 0.993 367 L CA -0.219 54.726 54.840 0.174 0.000 0.819 367 L CB 2.461 44.619 42.059 0.165 0.000 1.294 367 L HN -0.266 nan 8.230 nan 0.000 0.414 368 T N 3.640 118.357 114.554 0.271 0.000 2.840 368 T HA 0.548 4.898 4.350 -0.000 0.000 0.287 368 T C -0.863 174.035 174.700 0.329 0.000 0.991 368 T CA -0.448 61.865 62.100 0.355 0.000 0.964 368 T CB 1.489 70.587 68.868 0.383 0.000 0.954 368 T HN 0.280 nan 8.240 nan 0.000 0.438 369 V N 3.829 123.954 119.914 0.353 0.000 2.364 369 V HA 0.622 4.742 4.120 -0.000 0.000 0.272 369 V C 0.546 176.857 176.094 0.362 0.000 1.036 369 V CA -0.650 61.828 62.300 0.297 0.000 0.880 369 V CB 0.038 32.018 31.823 0.262 0.000 0.991 369 V HN 1.225 nan 8.190 nan 0.000 0.460 370 C N 2.503 121.966 119.300 0.271 0.000 3.332 370 C HA 0.955 5.415 4.460 -0.000 0.000 0.329 370 C C 0.573 175.634 174.990 0.118 0.000 1.434 370 C CA -0.439 58.699 59.018 0.199 0.000 1.314 370 C CB 1.184 28.950 27.740 0.044 0.000 1.664 370 C HN 0.981 nan 8.230 nan 0.000 0.457 371 G N -0.000 108.809 108.800 0.015 0.000 2.599 371 G HA2 0.474 4.434 3.960 -0.000 0.000 0.264 371 G HA3 0.474 4.434 3.960 -0.000 0.000 0.264 371 G C 0.296 175.198 174.900 0.003 0.000 1.200 371 G CA -0.494 44.618 45.100 0.019 0.000 0.896 371 G HN 0.772 nan 8.290 nan 0.000 0.536 372 L N 1.257 122.496 121.223 0.027 0.000 2.376 372 L HA 0.093 4.433 4.340 -0.000 0.000 0.219 372 L C 2.741 179.558 176.870 -0.087 0.000 1.133 372 L CA 1.510 56.331 54.840 -0.032 0.000 0.816 372 L CB -0.823 41.212 42.059 -0.040 0.000 0.933 372 L HN 0.673 nan 8.230 nan 0.000 0.449 373 G N -2.116 106.612 108.800 -0.121 0.000 2.880 373 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.209 373 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.209 373 G C 1.393 176.202 174.900 -0.151 0.000 1.157 373 G CA 0.064 45.080 45.100 -0.140 0.000 0.779 373 G HN 0.296 nan 8.290 nan 0.000 0.539 374 L N -0.157 120.964 121.223 -0.171 0.000 2.642 374 L HA 0.548 4.888 4.340 -0.000 0.000 0.233 374 L C 2.673 179.449 176.870 -0.156 0.000 1.077 374 L CA 1.011 55.719 54.840 -0.220 0.000 0.879 374 L CB -0.010 41.826 42.059 -0.373 0.000 1.151 374 L HN 0.114 nan 8.230 nan 0.000 0.495 375 A N 0.195 122.960 122.820 -0.093 0.000 1.841 375 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 375 A C 2.008 179.576 177.584 -0.026 0.000 1.199 375 A CA 2.077 54.097 52.037 -0.028 0.000 0.621 375 A CB -0.672 18.329 19.000 0.002 0.000 0.835 375 A HN 0.491 nan 8.150 nan 0.000 0.445 376 N N -0.027 118.644 118.700 -0.049 0.000 2.142 376 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 376 N C -0.783 174.709 175.510 -0.030 0.000 1.023 376 N CA 1.596 54.623 53.050 -0.039 0.000 0.852 376 N CB -1.591 36.862 38.487 -0.056 0.000 0.998 376 N HN 0.308 nan 8.380 nan 0.000 0.424 377 P HA -0.090 nan 4.420 nan 0.000 0.216 377 P C 1.405 178.702 177.300 -0.006 0.000 1.150 377 P CA 0.735 63.814 63.100 -0.035 0.000 0.843 377 P CB 0.111 31.775 31.700 -0.060 0.000 0.787 378 L N -0.433 120.790 121.223 0.000 0.000 2.156 378 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 378 L C 2.258 179.195 176.870 0.111 0.000 1.095 378 L CA 1.731 56.621 54.840 0.084 0.000 0.770 378 L CB -1.306 40.778 42.059 0.041 0.000 0.914 378 L HN -0.041 nan 8.230 nan 0.000 0.439 379 E N -0.542 119.692 120.200 0.057 0.000 2.106 379 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 379 E C 2.157 178.761 176.600 0.007 0.000 0.984 379 E CA 1.241 57.666 56.400 0.043 0.000 0.806 379 E CB -0.117 29.600 29.700 0.029 0.000 0.750 379 E HN 0.445 nan 8.360 nan 0.000 0.458 380 A N 1.197 124.016 122.820 -0.002 0.000 2.119 380 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 380 A C 1.869 179.433 177.584 -0.033 0.000 1.153 380 A CA 0.779 52.806 52.037 -0.017 0.000 0.692 380 A CB -0.036 18.954 19.000 -0.016 0.000 0.799 380 A HN -0.053 nan 8.150 nan 0.000 0.458 381 K N -1.297 119.084 120.400 -0.031 0.000 2.365 381 K HA 0.091 4.411 4.320 -0.000 0.000 0.197 381 K C 1.271 177.719 176.600 -0.254 0.000 1.042 381 K CA 0.897 57.135 56.287 -0.083 0.000 0.987 381 K CB -0.007 32.511 32.500 0.031 0.000 0.779 381 K HN 0.748 nan 8.250 nan 0.000 0.484 382 G N 1.092 109.766 108.800 -0.210 0.000 2.192 382 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.193 382 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.193 382 G C -0.452 174.325 174.900 -0.205 0.000 0.999 382 G CA -0.317 44.653 45.100 -0.217 0.000 0.659 382 G HN 0.465 nan 8.290 nan 0.000 0.503 383 H N 1.124 120.235 119.070 0.067 0.000 2.620 383 H HA 0.643 5.199 4.556 -0.000 0.000 0.313 383 H C 0.774 176.158 175.328 0.094 0.000 1.075 383 H CA 0.136 56.242 56.048 0.097 0.000 1.397 383 H CB 1.508 31.386 29.762 0.193 0.000 1.446 383 H HN 0.531 nan 8.280 nan 0.000 0.493 384 A N 3.215 126.155 122.820 0.200 0.000 2.488 384 A HA 0.368 4.688 4.320 -0.000 0.000 0.249 384 A C 0.480 178.177 177.584 0.189 0.000 1.083 384 A CA -0.047 52.085 52.037 0.158 0.000 0.768 384 A CB -0.183 18.894 19.000 0.128 0.000 1.017 384 A HN 0.807 nan 8.150 nan 0.000 0.496 385 T N 0.255 114.911 114.554 0.169 0.000 2.893 385 T HA 0.670 5.020 4.350 -0.000 0.000 0.291 385 T C -0.770 174.038 174.700 0.180 0.000 1.028 385 T CA -0.916 61.295 62.100 0.185 0.000 0.995 385 T CB 1.714 70.681 68.868 0.165 0.000 1.051 385 T HN 0.512 nan 8.240 nan 0.000 0.470 386 K N 3.237 123.741 120.400 0.173 0.000 2.535 386 K HA 0.227 4.547 4.320 -0.000 0.000 0.253 386 K C -0.549 176.095 176.600 0.073 0.000 0.953 386 K CA -0.793 55.537 56.287 0.071 0.000 0.863 386 K CB 0.867 33.345 32.500 -0.037 0.000 1.111 386 K HN 0.862 nan 8.250 nan 0.000 0.431 387 W N 4.038 125.321 121.300 -0.028 0.000 2.368 387 W HA 0.273 4.933 4.660 -0.000 0.000 0.316 387 W C 0.366 176.868 176.519 -0.029 0.000 1.375 387 W CA -0.486 56.847 57.345 -0.020 0.000 1.261 387 W CB -0.347 29.093 29.460 -0.032 0.000 1.298 387 W HN 0.563 nan 8.180 nan 0.000 0.539 388 A N 4.593 127.464 122.820 0.086 0.000 1.873 388 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 388 A C 2.012 179.595 177.584 -0.002 0.000 1.186 388 A CA 1.713 53.751 52.037 0.003 0.000 0.616 388 A CB -0.677 18.388 19.000 0.108 0.000 0.823 388 A HN 0.714 nan 8.150 nan 0.000 0.442 389 I N -0.080 120.595 120.570 0.174 0.000 2.285 389 I HA -0.405 3.764 4.170 -0.000 0.000 0.254 389 I C 2.374 178.575 176.117 0.139 0.000 1.093 389 I CA 2.082 63.532 61.300 0.251 0.000 1.368 389 I CB -0.315 37.880 38.000 0.325 0.000 1.054 389 I HN 0.546 nan 8.210 nan 0.000 0.435 390 E N 0.849 120.886 120.200 -0.272 0.000 2.070 390 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 390 E C 2.196 178.677 176.600 -0.197 0.000 1.004 390 E CA 1.466 57.589 56.400 -0.463 0.000 0.805 390 E CB -0.164 28.847 29.700 -1.149 0.000 0.744 390 E HN 0.500 nan 8.360 nan 0.000 0.451 391 L N 0.067 121.160 121.223 -0.216 0.000 2.263 391 L HA -0.192 4.148 4.340 -0.000 0.000 0.216 391 L C 2.146 178.942 176.870 -0.124 0.000 1.111 391 L CA 0.564 55.307 54.840 -0.161 0.000 0.773 391 L CB -0.289 41.686 42.059 -0.140 0.000 0.906 391 L HN 0.131 nan 8.230 nan 0.000 0.439 392 V N -2.925 116.902 119.914 -0.145 0.000 2.992 392 V HA -0.055 4.065 4.120 -0.000 0.000 0.250 392 V C 1.688 177.542 176.094 -0.399 0.000 1.090 392 V CA 0.914 62.974 62.300 -0.399 0.000 1.101 392 V CB -0.407 30.905 31.823 -0.852 0.000 0.743 392 V HN 0.225 nan 8.190 nan 0.000 0.468 393 F N 0.622 120.453 119.950 -0.198 0.000 2.749 393 F HA 0.192 4.719 4.527 -0.000 0.000 0.300 393 F C 1.109 176.869 175.800 -0.068 0.000 1.103 393 F CA 0.365 58.306 58.000 -0.099 0.000 1.342 393 F CB 0.321 39.317 39.000 -0.008 0.000 1.098 393 F HN 0.062 nan 8.300 nan 0.000 0.586 394 T N 0.946 115.521 114.554 0.035 0.000 2.895 394 T HA 0.320 4.670 4.350 -0.000 0.000 0.283 394 T C -2.557 172.141 174.700 -0.004 0.000 1.014 394 T CA -1.840 60.265 62.100 0.009 0.000 1.037 394 T CB 1.472 70.313 68.868 -0.044 0.000 1.006 394 T HN -0.326 nan 8.240 nan 0.000 0.468 395 P HA 0.137 nan 4.420 nan 0.000 0.265 395 P C 0.577 177.897 177.300 0.034 0.000 1.222 395 P CA -0.087 63.031 63.100 0.029 0.000 0.767 395 P CB 0.321 32.033 31.700 0.020 0.000 0.801 396 V N 0.124 120.085 119.914 0.078 0.000 3.426 396 V HA 0.232 4.351 4.120 -0.000 0.000 0.271 396 V C 0.340 176.392 176.094 -0.070 0.000 1.530 396 V CA 0.183 62.484 62.300 0.001 0.000 1.021 396 V CB -0.898 30.904 31.823 -0.036 0.000 0.824 396 V HN 0.312 nan 8.190 nan 0.000 0.432 397 H N 0.101 119.114 119.070 -0.095 0.000 2.509 397 H HA 0.737 5.293 4.556 -0.000 0.000 0.359 397 H C -0.340 174.892 175.328 -0.160 0.000 1.253 397 H CA -0.358 55.483 56.048 -0.344 0.000 1.373 397 H CB 0.214 29.706 29.762 -0.450 0.000 1.555 397 H HN 0.178 nan 8.280 nan 0.000 0.586 398 F N -2.189 117.544 119.950 -0.363 0.000 2.183 398 F HA -0.370 4.157 4.527 -0.000 0.000 0.318 398 F C 0.644 176.288 175.800 -0.260 0.000 0.210 398 F CA 0.286 58.047 58.000 -0.399 0.000 0.912 398 F CB -1.009 37.798 39.000 -0.323 0.000 4.135 398 F HN 0.544 nan 8.300 nan 0.000 0.137 399 Y N -0.465 119.911 120.300 0.127 0.000 2.114 399 Y HA -0.159 4.391 4.550 -0.000 0.000 0.284 399 Y C 2.254 178.181 175.900 0.045 0.000 1.143 399 Y CA 1.826 59.960 58.100 0.056 0.000 1.135 399 Y CB -0.731 37.760 38.460 0.052 0.000 0.980 399 Y HN 0.597 nan 8.280 nan 0.000 0.499 400 E N 0.442 120.771 120.200 0.214 0.000 2.118 400 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 400 E C 1.540 178.198 176.600 0.096 0.000 0.992 400 E CA 1.581 58.056 56.400 0.124 0.000 0.804 400 E CB -0.153 29.595 29.700 0.080 0.000 0.741 400 E HN 0.384 nan 8.360 nan 0.000 0.458 401 Q N -0.983 118.865 119.800 0.080 0.000 2.360 401 Q HA 0.362 4.702 4.340 -0.000 0.000 0.202 401 Q C 1.448 177.473 176.000 0.042 0.000 0.915 401 Q CA 0.601 56.437 55.803 0.055 0.000 0.943 401 Q CB 0.360 29.120 28.738 0.037 0.000 1.064 401 Q HN 0.335 nan 8.270 nan 0.000 0.511 402 A N 0.375 123.229 122.820 0.057 0.000 1.908 402 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 402 A C 2.163 179.838 177.584 0.153 0.000 1.181 402 A CA 1.754 53.819 52.037 0.046 0.000 0.627 402 A CB -1.110 17.957 19.000 0.112 0.000 0.818 402 A HN 0.458 nan 8.150 nan 0.000 0.445 403 G N 0.092 109.000 108.800 0.179 0.000 2.459 403 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 403 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 403 G C 1.034 176.079 174.900 0.243 0.000 1.183 403 G CA 1.291 46.544 45.100 0.256 0.000 0.776 403 G HN 0.500 nan 8.290 nan 0.000 0.552 404 D N 0.032 120.517 120.400 0.141 0.000 2.221 404 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 404 D C 2.224 178.536 176.300 0.020 0.000 0.982 404 D CA 0.386 54.425 54.000 0.066 0.000 0.857 404 D CB -0.247 40.579 40.800 0.044 0.000 0.934 404 D HN 0.265 nan 8.370 nan 0.000 0.475 405 L N 0.797 122.054 121.223 0.057 0.000 2.005 405 L HA -0.000 4.340 4.340 -0.000 0.000 0.207 405 L C 2.106 179.153 176.870 0.295 0.000 1.072 405 L CA 1.734 56.626 54.840 0.088 0.000 0.744 405 L CB -0.966 41.041 42.059 -0.087 0.000 0.895 405 L HN 0.015 nan 8.230 nan 0.000 0.433 406 A N -0.491 122.539 122.820 0.351 0.000 1.940 406 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 406 A C 2.346 179.898 177.584 -0.053 0.000 1.176 406 A CA 1.597 53.823 52.037 0.314 0.000 0.631 406 A CB -1.654 17.541 19.000 0.325 0.000 0.814 406 A HN 0.557 nan 8.150 nan 0.000 0.446 407 G N -0.121 108.401 108.800 -0.464 0.000 2.469 407 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 407 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 407 G C 1.354 176.106 174.900 -0.248 0.000 1.150 407 G CA 1.273 45.980 45.100 -0.656 0.000 0.763 407 G HN 0.383 nan 8.290 nan 0.000 0.561 408 L N -0.492 120.617 121.223 -0.190 0.000 2.189 408 L HA 0.024 4.364 4.340 -0.000 0.000 0.214 408 L C 2.352 178.933 176.870 -0.481 0.000 1.097 408 L CA 1.387 56.005 54.840 -0.371 0.000 0.764 408 L CB -0.486 41.238 42.059 -0.558 0.000 0.900 408 L HN 0.310 nan 8.230 nan 0.000 0.436 409 F N -2.317 117.574 119.950 -0.098 0.000 2.622 409 F HA 0.020 4.547 4.527 -0.000 0.000 0.288 409 F C 2.499 178.281 175.800 -0.030 0.000 1.120 409 F CA 0.584 58.553 58.000 -0.051 0.000 1.423 409 F CB -0.640 38.346 39.000 -0.025 0.000 1.127 409 F HN 0.038 nan 8.300 nan 0.000 0.588 410 S N 0.327 116.096 115.700 0.115 0.000 2.428 410 S HA -0.143 4.327 4.470 -0.000 0.000 0.230 410 S C 1.999 176.636 174.600 0.062 0.000 1.014 410 S CA 0.633 58.885 58.200 0.087 0.000 0.957 410 S CB -0.467 62.788 63.200 0.091 0.000 0.784 410 S HN 0.292 nan 8.310 nan 0.000 0.499 411 R N 2.447 122.956 120.500 0.015 0.000 2.080 411 R HA 0.001 4.341 4.340 -0.000 0.000 0.236 411 R C -0.929 175.398 176.300 0.046 0.000 1.137 411 R CA 1.851 57.965 56.100 0.023 0.000 0.943 411 R CB -1.217 29.077 30.300 -0.010 0.000 0.846 411 R HN 0.390 nan 8.270 nan 0.000 0.431 412 P HA -0.083 nan 4.420 nan 0.000 0.219 412 P C 0.942 178.288 177.300 0.076 0.000 1.150 412 P CA 1.049 64.192 63.100 0.072 0.000 0.814 412 P CB 0.042 31.793 31.700 0.086 0.000 0.787 413 L N -1.061 120.210 121.223 0.080 0.000 2.093 413 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 413 L C 2.683 179.593 176.870 0.066 0.000 1.085 413 L CA 1.360 56.246 54.840 0.078 0.000 0.755 413 L CB -0.364 41.746 42.059 0.085 0.000 0.904 413 L HN -0.110 nan 8.230 nan 0.000 0.435 414 R N -0.610 119.930 120.500 0.067 0.000 2.119 414 R HA -0.110 4.230 4.340 -0.000 0.000 0.222 414 R C 2.390 178.722 176.300 0.053 0.000 1.088 414 R CA 0.775 56.911 56.100 0.061 0.000 0.984 414 R CB -0.084 30.258 30.300 0.070 0.000 0.884 414 R HN 0.239 nan 8.270 nan 0.000 0.447 415 R N 0.790 121.322 120.500 0.054 0.000 2.081 415 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 415 R C 2.267 178.593 176.300 0.043 0.000 1.131 415 R CA 1.559 57.688 56.100 0.048 0.000 0.960 415 R CB -0.090 30.241 30.300 0.052 0.000 0.856 415 R HN 0.046 nan 8.270 nan 0.000 0.436 416 R N 0.154 120.682 120.500 0.047 0.000 2.082 416 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 416 R C 2.159 178.479 176.300 0.034 0.000 1.136 416 R CA 1.835 57.960 56.100 0.041 0.000 0.935 416 R CB -0.473 29.856 30.300 0.049 0.000 0.842 416 R HN 0.287 nan 8.270 nan 0.000 0.430 417 A N 1.305 124.147 122.820 0.037 0.000 1.873 417 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 417 A C 2.105 179.706 177.584 0.027 0.000 1.193 417 A CA 1.879 53.935 52.037 0.031 0.000 0.629 417 A CB -0.863 18.158 19.000 0.035 0.000 0.826 417 A HN 0.509 nan 8.150 nan 0.000 0.447 418 L N -1.509 119.732 121.223 0.030 0.000 2.551 418 L HA 0.128 4.468 4.340 -0.000 0.000 0.228 418 L C 1.680 178.563 176.870 0.022 0.000 1.153 418 L CA 1.169 56.024 54.840 0.026 0.000 0.851 418 L CB -0.082 41.995 42.059 0.030 0.000 0.959 418 L HN 0.336 nan 8.230 nan 0.000 0.451 419 L N 0.108 121.345 121.223 0.022 0.000 2.316 419 L HA 0.133 4.473 4.340 -0.000 0.000 0.207 419 L C 0.348 177.226 176.870 0.014 0.000 1.070 419 L CA 0.415 55.265 54.840 0.018 0.000 0.820 419 L CB -0.148 41.923 42.059 0.019 0.000 0.992 419 L HN 0.564 nan 8.230 nan 0.000 0.466 420 N N 0.561 119.269 118.700 0.015 0.000 2.904 420 N HA 0.162 4.902 4.740 -0.000 0.000 0.257 420 N C 0.107 175.624 175.510 0.011 0.000 1.363 420 N CA -0.217 52.840 53.050 0.011 0.000 0.856 420 N CB 0.958 39.450 38.487 0.008 0.000 1.166 420 N HN -0.053 nan 8.380 nan 0.000 0.499 421 G N 0.000 108.807 108.800 0.012 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.107 45.100 0.012 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925