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 1b3o_1_B DATA FIRST_RESID 10 DATA SEQUENCE TSYVPDDGLT AQQLFNCGDG LTYNDFLILP GYIDFTADQV DLTSALTKKI DATA SEQUENCE TLKTPLVSSP MDTVTEAGMA IAMALTGGIG FIHHNCTPEF QANEVRKVKK DATA SEQUENCE YEQGFITDPV VLSPKDRVRD XXXXXXXXXX CGIPITDTGR MGSRLVGIIS DATA SEQUENCE XXXXXXXXXX XXXXXXXXIM TKREDLVVAP AGITLKEANE ILQRSKKGKL DATA SEQUENCE PIVNEDDELV AIIARTDLKK NRDYPLASKD AKKQLLCGAA IGTHEDDKYR DATA SEQUENCE LDLLAQAGVD VVVLDSSQGN SIFQINMIKY IKDKYPNLQV IGGNVVTAAQ DATA SEQUENCE AKNLIDAGVD ALRVGMGSGS ICITQEVLAC GRPQATAVYK VSEYARRFGV DATA SEQUENCE PVIADGGIQN VGHIAKALAL GASTVMMGSL LAATTEAPGE YXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXD KGSIHKFVPY DATA SEQUENCE LIAGIQHSCQ DIGAKSLTQV RAMMYSGELK FEKRTSSAQV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.746 174.700 0.077 0.000 1.109 10 T CA 0.000 62.131 62.100 0.051 0.000 1.349 10 T CB 0.000 68.898 68.868 0.049 0.000 0.612 11 S N 0.873 116.614 115.700 0.069 0.000 3.697 11 S HA -0.171 4.299 4.470 0.001 0.000 0.388 11 S C -0.166 174.488 174.600 0.089 0.000 0.941 11 S CA 0.985 59.216 58.200 0.052 0.000 1.247 11 S CB -1.386 61.830 63.200 0.028 0.000 0.904 11 S HN 0.675 nan 8.310 nan 0.000 0.518 12 Y N 1.727 122.020 120.300 -0.012 0.000 2.539 12 Y HA 0.410 4.960 4.550 0.001 0.000 0.284 12 Y C 1.073 176.966 175.900 -0.011 0.000 1.134 12 Y CA 1.102 59.196 58.100 -0.011 0.000 1.251 12 Y CB 0.431 38.887 38.460 -0.007 0.000 1.260 12 Y HN 1.018 nan 8.280 nan 0.000 0.528 13 V N 1.139 120.896 119.914 -0.262 0.000 3.625 13 V HA -0.223 3.898 4.120 0.001 0.000 0.501 13 V C -2.376 173.343 176.094 -0.624 0.000 0.682 13 V CA -0.254 61.858 62.300 -0.314 0.000 2.035 13 V CB -0.773 30.886 31.823 -0.272 0.000 2.457 13 V HN 0.325 nan 8.190 nan 0.000 0.508 14 P HA 0.240 nan 4.420 nan 0.000 0.197 14 P C 0.144 177.403 177.300 -0.067 0.000 1.076 14 P CA 1.426 64.558 63.100 0.054 0.000 0.876 14 P CB 0.126 31.917 31.700 0.152 0.000 0.705 15 D N -3.593 116.798 120.400 -0.014 0.000 2.738 15 D HA 0.221 4.861 4.640 0.001 0.000 0.229 15 D C -1.545 174.754 176.300 -0.001 0.000 1.200 15 D CA -0.449 53.541 54.000 -0.017 0.000 0.746 15 D CB 0.726 41.538 40.800 0.020 0.000 1.597 15 D HN -0.163 nan 8.370 nan 0.000 0.471 16 D N 0.639 121.035 120.400 -0.007 0.000 2.607 16 D HA 0.565 5.206 4.640 0.001 0.000 0.253 16 D C 1.026 177.335 176.300 0.015 0.000 1.171 16 D CA 0.215 54.216 54.000 0.002 0.000 1.084 16 D CB 0.771 41.566 40.800 -0.009 0.000 1.203 16 D HN 0.543 nan 8.370 nan 0.000 0.629 17 G N 0.033 108.844 108.800 0.018 0.000 4.160 17 G HA2 -0.118 3.843 3.960 0.001 0.000 0.973 17 G HA3 -0.118 3.843 3.960 0.001 0.000 0.973 17 G C 0.238 175.169 174.900 0.053 0.000 1.336 17 G CA -0.223 44.899 45.100 0.036 0.000 1.264 17 G HN 0.301 nan 8.290 nan 0.000 0.788 18 L N -0.853 120.418 121.223 0.080 0.000 2.466 18 L HA 0.374 4.714 4.340 0.001 0.000 0.257 18 L C 1.213 178.187 176.870 0.173 0.000 1.189 18 L CA 0.269 55.160 54.840 0.086 0.000 0.813 18 L CB 0.465 42.545 42.059 0.035 0.000 1.118 18 L HN 0.492 nan 8.230 nan 0.000 0.471 19 T N 0.591 115.226 114.554 0.135 0.000 2.859 19 T HA 0.423 4.774 4.350 0.001 0.000 0.281 19 T C 1.219 176.002 174.700 0.139 0.000 1.005 19 T CA 0.044 62.255 62.100 0.185 0.000 1.025 19 T CB 1.791 70.729 68.868 0.116 0.000 0.977 19 T HN 0.681 nan 8.240 nan 0.000 0.458 20 A N 2.292 125.232 122.820 0.199 0.000 1.971 20 A HA -0.246 4.074 4.320 0.001 0.000 0.222 20 A C 2.176 179.667 177.584 -0.154 0.000 1.182 20 A CA 2.173 54.155 52.037 -0.091 0.000 0.649 20 A CB -0.739 18.206 19.000 -0.091 0.000 0.818 20 A HN 0.903 nan 8.150 nan 0.000 0.458 21 Q N -0.869 118.922 119.800 -0.014 0.000 1.967 21 Q HA -0.261 4.080 4.340 0.001 0.000 0.202 21 Q C 2.347 178.300 176.000 -0.079 0.000 0.985 21 Q CA 1.865 57.669 55.803 0.003 0.000 0.839 21 Q CB -0.236 28.581 28.738 0.132 0.000 0.906 21 Q HN 0.815 nan 8.270 nan 0.000 0.423 22 Q N 0.019 119.786 119.800 -0.056 0.000 2.096 22 Q HA -0.236 4.104 4.340 0.001 0.000 0.208 22 Q C 2.159 178.040 176.000 -0.199 0.000 0.993 22 Q CA 1.654 57.405 55.803 -0.087 0.000 0.862 22 Q CB -0.305 28.399 28.738 -0.056 0.000 0.915 22 Q HN 0.330 nan 8.270 nan 0.000 0.416 23 L N -0.529 120.492 121.223 -0.337 0.000 2.093 23 L HA -0.073 4.268 4.340 0.001 0.000 0.208 23 L C 1.228 177.562 176.870 -0.894 0.000 1.085 23 L CA 1.652 56.103 54.840 -0.648 0.000 0.755 23 L CB -0.077 41.432 42.059 -0.917 0.000 0.904 23 L HN 0.090 nan 8.230 nan 0.000 0.435 24 F N -0.985 118.642 119.950 -0.538 0.000 2.641 24 F HA 0.272 4.799 4.527 0.001 0.000 0.302 24 F C 1.255 176.903 175.800 -0.255 0.000 1.098 24 F CA -0.123 57.561 58.000 -0.527 0.000 1.318 24 F CB -0.174 38.205 39.000 -1.034 0.000 1.035 24 F HN 0.113 nan 8.300 nan 0.000 0.551 25 N N -0.772 117.884 118.700 -0.073 0.000 2.377 25 N HA 0.160 4.900 4.740 0.001 0.000 0.259 25 N C -0.960 174.534 175.510 -0.027 0.000 1.332 25 N CA 0.212 53.277 53.050 0.024 0.000 0.877 25 N CB 0.766 39.297 38.487 0.074 0.000 1.299 25 N HN 0.029 nan 8.380 nan 0.000 0.501 26 C N 0.648 119.897 119.300 -0.084 0.000 3.169 26 C HA 0.351 4.811 4.460 0.001 0.000 0.232 26 C C 1.489 176.432 174.990 -0.077 0.000 1.316 26 C CA -0.993 57.976 59.018 -0.082 0.000 1.545 26 C CB -0.613 27.059 27.740 -0.113 0.000 1.785 26 C HN 0.553 nan 8.230 nan 0.000 0.454 27 G N 2.456 111.229 108.800 -0.046 0.000 2.471 27 G HA2 -0.246 3.714 3.960 0.001 0.000 0.301 27 G HA3 -0.246 3.714 3.960 0.001 0.000 0.301 27 G C 0.525 175.393 174.900 -0.055 0.000 0.902 27 G CA 1.091 46.168 45.100 -0.039 0.000 1.002 27 G HN 0.736 nan 8.290 nan 0.000 0.509 28 D N 0.365 120.718 120.400 -0.078 0.000 2.429 28 D HA 0.253 4.893 4.640 0.001 0.000 0.242 28 D C 1.687 177.951 176.300 -0.061 0.000 1.076 28 D CA 1.378 55.320 54.000 -0.097 0.000 0.955 28 D CB -0.251 40.437 40.800 -0.186 0.000 1.076 28 D HN 1.223 nan 8.370 nan 0.000 0.448 29 G N 1.594 110.366 108.800 -0.047 0.000 2.734 29 G HA2 -0.171 3.789 3.960 0.001 0.000 0.277 29 G HA3 -0.171 3.789 3.960 0.001 0.000 0.277 29 G C -0.334 174.558 174.900 -0.014 0.000 1.099 29 G CA -0.090 45.000 45.100 -0.017 0.000 1.218 29 G HN 0.148 nan 8.290 nan 0.000 0.554 30 L N 0.395 121.623 121.223 0.008 0.000 2.358 30 L HA 0.809 5.149 4.340 0.001 0.000 0.268 30 L C 0.954 177.856 176.870 0.054 0.000 1.032 30 L CA -0.906 53.962 54.840 0.047 0.000 0.805 30 L CB 1.888 43.983 42.059 0.059 0.000 1.253 30 L HN 0.353 nan 8.230 nan 0.000 0.452 31 T N -1.713 112.881 114.554 0.067 0.000 2.938 31 T HA 0.259 4.610 4.350 0.001 0.000 0.285 31 T C 0.518 175.256 174.700 0.063 0.000 1.028 31 T CA -0.326 61.748 62.100 -0.042 0.000 1.005 31 T CB 0.969 69.816 68.868 -0.035 0.000 1.157 31 T HN 0.276 nan 8.240 nan 0.000 0.550 32 Y N 0.789 121.114 120.300 0.042 0.000 2.403 32 Y HA -0.001 4.550 4.550 0.001 0.000 0.291 32 Y C 2.265 178.079 175.900 -0.144 0.000 1.143 32 Y CA 0.672 58.745 58.100 -0.045 0.000 1.257 32 Y CB -0.300 38.075 38.460 -0.142 0.000 0.984 32 Y HN 0.426 nan 8.280 nan 0.000 0.550 33 N N -0.409 118.345 118.700 0.090 0.000 2.336 33 N HA -0.060 4.680 4.740 0.001 0.000 0.189 33 N C 0.544 176.072 175.510 0.029 0.000 1.113 33 N CA 0.431 53.514 53.050 0.055 0.000 0.858 33 N CB 0.045 38.589 38.487 0.095 0.000 0.970 33 N HN 0.410 nan 8.380 nan 0.000 0.471 34 D N 0.080 120.531 120.400 0.085 0.000 2.347 34 D HA 0.018 4.659 4.640 0.001 0.000 0.213 34 D C 0.313 176.752 176.300 0.232 0.000 0.985 34 D CA 0.468 54.556 54.000 0.146 0.000 0.879 34 D CB 0.391 41.291 40.800 0.166 0.000 0.919 34 D HN 0.279 nan 8.370 nan 0.000 0.526 35 F N -1.181 118.838 119.950 0.116 0.000 2.715 35 F HA 0.602 5.130 4.527 0.001 0.000 0.318 35 F C -1.365 174.545 175.800 0.182 0.000 1.141 35 F CA -1.285 56.797 58.000 0.136 0.000 0.950 35 F CB 0.974 40.068 39.000 0.156 0.000 1.374 35 F HN -0.384 nan 8.300 nan 0.000 0.477 36 L N 1.067 122.460 121.223 0.284 0.000 2.250 36 L HA 0.674 5.015 4.340 0.001 0.000 0.252 36 L C -1.089 176.002 176.870 0.369 0.000 1.054 36 L CA -1.217 53.720 54.840 0.162 0.000 0.856 36 L CB 2.576 44.683 42.059 0.080 0.000 1.443 36 L HN 0.607 nan 8.230 nan 0.000 0.427 37 I N 1.274 121.940 120.570 0.159 0.000 2.498 37 I HA 0.275 4.446 4.170 0.001 0.000 0.290 37 I C -1.027 175.055 176.117 -0.058 0.000 1.032 37 I CA -0.800 60.503 61.300 0.004 0.000 1.073 37 I CB 2.060 40.042 38.000 -0.030 0.000 1.251 37 I HN 0.187 nan 8.210 nan 0.000 0.426 38 L N 8.284 129.441 121.223 -0.109 0.000 2.416 38 L HA 0.287 4.627 4.340 0.001 0.000 0.272 38 L C -1.578 175.247 176.870 -0.075 0.000 1.161 38 L CA -0.987 53.811 54.840 -0.071 0.000 0.845 38 L CB -0.456 41.564 42.059 -0.064 0.000 1.119 38 L HN 0.409 nan 8.230 nan 0.000 0.464 39 P HA 0.183 nan 4.420 nan 0.000 0.272 39 P C -0.235 177.056 177.300 -0.015 0.000 1.248 39 P CA -0.199 62.882 63.100 -0.032 0.000 0.799 39 P CB 0.873 32.559 31.700 -0.022 0.000 0.997 40 G N -0.942 107.866 108.800 0.013 0.000 3.291 40 G HA2 0.345 4.306 3.960 0.001 0.000 0.173 40 G HA3 0.345 4.306 3.960 0.001 0.000 0.173 40 G C -1.767 173.216 174.900 0.138 0.000 1.099 40 G CA -0.154 44.981 45.100 0.059 0.000 0.794 40 G HN 0.503 nan 8.290 nan 0.000 0.651 41 Y N 1.166 121.468 120.300 0.004 0.000 2.345 41 Y HA 0.660 5.211 4.550 0.001 0.000 0.331 41 Y C -0.289 175.614 175.900 0.005 0.000 0.959 41 Y CA -1.862 56.240 58.100 0.004 0.000 1.204 41 Y CB 0.590 39.062 38.460 0.020 0.000 1.135 41 Y HN 0.247 nan 8.280 nan 0.000 0.477 42 I N 6.714 127.055 120.570 -0.382 0.000 2.371 42 I HA 0.208 4.379 4.170 0.001 0.000 0.290 42 I C -0.440 175.194 176.117 -0.806 0.000 1.028 42 I CA 0.044 60.997 61.300 -0.578 0.000 1.345 42 I CB 1.027 38.775 38.000 -0.419 0.000 1.407 42 I HN 0.640 nan 8.210 nan 0.000 0.501 43 D N 7.123 127.149 120.400 -0.623 0.000 3.404 43 D HA 0.195 4.835 4.640 0.001 0.000 0.329 43 D C -0.745 175.588 176.300 0.054 0.000 1.421 43 D CA -0.199 53.600 54.000 -0.335 0.000 0.742 43 D CB 0.006 40.566 40.800 -0.400 0.000 1.290 43 D HN 0.363 nan 8.370 nan 0.000 0.600 44 F N -2.039 117.817 119.950 -0.157 0.000 2.843 44 F HA 0.467 4.994 4.527 0.000 0.000 0.323 44 F C -0.951 174.797 175.800 -0.088 0.000 1.142 44 F CA -1.141 56.799 58.000 -0.100 0.000 0.925 44 F CB 0.154 39.103 39.000 -0.085 0.000 1.277 44 F HN -0.115 nan 8.300 nan 0.000 0.446 45 T N -0.368 114.224 114.554 0.064 0.000 2.904 45 T HA 0.602 4.952 4.350 0.001 0.000 0.290 45 T C 1.036 175.776 174.700 0.067 0.000 1.018 45 T CA -0.159 61.920 62.100 -0.034 0.000 1.075 45 T CB 1.538 70.397 68.868 -0.016 0.000 0.986 45 T HN 1.377 nan 8.240 nan 0.000 0.523 46 A N 2.049 124.842 122.820 -0.044 0.000 1.908 46 A HA -0.133 4.187 4.320 0.001 0.000 0.218 46 A C 1.823 179.441 177.584 0.057 0.000 1.181 46 A CA 1.868 53.915 52.037 0.016 0.000 0.627 46 A CB -1.200 17.755 19.000 -0.074 0.000 0.818 46 A HN 1.016 nan 8.150 nan 0.000 0.445 47 D N -0.558 119.854 120.400 0.021 0.000 2.390 47 D HA -0.113 4.527 4.640 0.001 0.000 0.235 47 D C 1.294 177.618 176.300 0.039 0.000 1.040 47 D CA 0.810 54.821 54.000 0.019 0.000 0.923 47 D CB -0.412 40.388 40.800 0.000 0.000 0.886 47 D HN 0.628 nan 8.370 nan 0.000 0.532 48 Q N -0.180 119.670 119.800 0.084 0.000 2.282 48 Q HA 0.174 4.515 4.340 0.001 0.000 0.206 48 Q C -0.205 175.813 176.000 0.030 0.000 0.878 48 Q CA -0.136 55.703 55.803 0.060 0.000 0.944 48 Q CB 1.512 30.304 28.738 0.090 0.000 1.100 48 Q HN 0.204 nan 8.270 nan 0.000 0.509 49 V N 2.464 122.420 119.914 0.070 0.000 2.408 49 V HA 0.036 4.157 4.120 0.001 0.000 0.267 49 V C -0.229 175.871 176.094 0.010 0.000 1.047 49 V CA -0.404 61.922 62.300 0.044 0.000 0.937 49 V CB 0.992 32.880 31.823 0.108 0.000 0.999 49 V HN 0.120 nan 8.190 nan 0.000 0.472 50 D N 4.824 125.215 120.400 -0.015 0.000 2.336 50 D HA 0.200 4.840 4.640 0.001 0.000 0.249 50 D C 0.655 176.951 176.300 -0.007 0.000 1.213 50 D CA -0.088 53.904 54.000 -0.014 0.000 0.870 50 D CB 0.783 41.568 40.800 -0.027 0.000 1.076 50 D HN 0.468 nan 8.370 nan 0.000 0.483 51 L N 3.304 124.525 121.223 -0.004 0.000 2.688 51 L HA 0.148 4.488 4.340 0.001 0.000 0.234 51 L C 0.632 177.501 176.870 -0.000 0.000 1.192 51 L CA -0.188 54.650 54.840 -0.003 0.000 0.984 51 L CB -0.518 41.536 42.059 -0.008 0.000 1.232 51 L HN 0.356 nan 8.230 nan 0.000 0.465 52 T N 0.724 115.278 114.554 0.000 0.000 2.867 52 T HA 0.134 4.484 4.350 0.001 0.000 0.297 52 T C 0.477 175.182 174.700 0.008 0.000 0.989 52 T CA 0.449 62.551 62.100 0.003 0.000 1.159 52 T CB 0.589 69.458 68.868 0.001 0.000 0.928 52 T HN 0.218 nan 8.240 nan 0.000 0.538 53 S N 1.549 117.256 115.700 0.011 0.000 2.634 53 S HA 0.758 5.229 4.470 0.001 0.000 0.296 53 S C -0.399 174.213 174.600 0.021 0.000 1.104 53 S CA -0.990 57.220 58.200 0.017 0.000 0.920 53 S CB 1.912 65.123 63.200 0.019 0.000 1.111 53 S HN 0.859 nan 8.310 nan 0.000 0.493 54 A N 1.287 124.122 122.820 0.025 0.000 2.260 54 A HA 0.606 4.926 4.320 0.001 0.000 0.314 54 A C 0.494 178.100 177.584 0.036 0.000 1.257 54 A CA -0.486 51.567 52.037 0.028 0.000 0.871 54 A CB 0.254 19.270 19.000 0.027 0.000 1.166 54 A HN 0.736 nan 8.150 nan 0.000 0.522 55 L N 3.322 124.570 121.223 0.041 0.000 2.084 55 L HA 0.192 4.532 4.340 0.001 0.000 0.202 55 L C 1.221 178.128 176.870 0.061 0.000 1.074 55 L CA 2.791 57.667 54.840 0.060 0.000 0.757 55 L CB -0.404 41.698 42.059 0.072 0.000 0.918 55 L HN 0.841 nan 8.230 nan 0.000 0.444 56 T N -5.268 109.315 114.554 0.048 0.000 2.804 56 T HA 0.278 4.628 4.350 0.001 0.000 0.290 56 T C 0.821 175.540 174.700 0.032 0.000 1.099 56 T CA -0.494 61.633 62.100 0.045 0.000 1.011 56 T CB 1.139 70.035 68.868 0.046 0.000 1.291 56 T HN 0.063 nan 8.240 nan 0.000 0.523 57 K N 0.354 120.772 120.400 0.029 0.000 2.107 57 K HA -0.142 4.178 4.320 0.001 0.000 0.211 57 K C 1.711 178.322 176.600 0.017 0.000 1.049 57 K CA 1.829 58.130 56.287 0.024 0.000 0.927 57 K CB -0.151 32.363 32.500 0.024 0.000 0.714 57 K HN 0.503 nan 8.250 nan 0.000 0.452 58 K N -0.560 119.850 120.400 0.015 0.000 2.373 58 K HA 0.176 4.496 4.320 0.001 0.000 0.200 58 K C 0.082 176.686 176.600 0.008 0.000 1.054 58 K CA -0.102 56.191 56.287 0.010 0.000 1.065 58 K CB 0.826 33.330 32.500 0.007 0.000 0.886 58 K HN -0.005 nan 8.250 nan 0.000 0.546 59 I N 1.721 122.298 120.570 0.011 0.000 2.499 59 I HA 0.222 4.392 4.170 0.001 0.000 0.296 59 I C 0.112 176.237 176.117 0.013 0.000 0.992 59 I CA 0.016 61.320 61.300 0.008 0.000 1.297 59 I CB 1.431 39.436 38.000 0.008 0.000 1.410 59 I HN -0.131 nan 8.210 nan 0.000 0.507 60 T N 6.360 120.920 114.554 0.009 0.000 2.952 60 T HA 0.673 5.023 4.350 0.001 0.000 0.305 60 T C -0.405 174.300 174.700 0.009 0.000 1.064 60 T CA -0.523 61.584 62.100 0.012 0.000 1.008 60 T CB 2.114 70.987 68.868 0.009 0.000 1.078 60 T HN 0.283 nan 8.240 nan 0.000 0.459 61 L N 2.268 123.498 121.223 0.012 0.000 2.341 61 L HA 0.592 4.933 4.340 0.001 0.000 0.267 61 L C 0.934 177.808 176.870 0.007 0.000 1.009 61 L CA -1.220 53.624 54.840 0.008 0.000 0.819 61 L CB 1.452 43.519 42.059 0.012 0.000 1.323 61 L HN 0.370 nan 8.230 nan 0.000 0.425 62 K N 0.550 120.953 120.400 0.004 0.000 2.525 62 K HA 0.086 4.406 4.320 0.001 0.000 0.192 62 K C 0.302 176.902 176.600 0.000 0.000 1.029 62 K CA 0.332 56.621 56.287 0.004 0.000 1.029 62 K CB -0.191 32.314 32.500 0.007 0.000 0.814 62 K HN 0.863 nan 8.250 nan 0.000 0.503 63 T N -2.700 111.853 114.554 -0.001 0.000 3.012 63 T HA 0.235 4.585 4.350 0.001 0.000 0.330 63 T C -2.843 171.858 174.700 0.001 0.000 1.321 63 T CA -1.404 60.692 62.100 -0.005 0.000 1.067 63 T CB 2.818 71.677 68.868 -0.015 0.000 1.235 63 T HN -0.237 nan 8.240 nan 0.000 0.479 64 P HA 0.213 nan 4.420 nan 0.000 0.269 64 P C -0.282 177.026 177.300 0.012 0.000 1.461 64 P CA -0.211 62.895 63.100 0.010 0.000 0.809 64 P CB -0.168 31.536 31.700 0.006 0.000 1.503 65 L N 0.479 121.709 121.223 0.011 0.000 2.262 65 L HA 0.375 4.715 4.340 0.001 0.000 0.288 65 L C 0.109 177.002 176.870 0.038 0.000 1.035 65 L CA -0.871 53.980 54.840 0.019 0.000 0.820 65 L CB 1.741 43.806 42.059 0.009 0.000 1.204 65 L HN -0.258 nan 8.230 nan 0.000 0.424 66 V N 1.801 121.743 119.914 0.046 0.000 2.513 66 V HA 0.430 4.551 4.120 0.001 0.000 0.299 66 V C 0.344 176.471 176.094 0.056 0.000 1.035 66 V CA -0.583 61.762 62.300 0.074 0.000 0.889 66 V CB 1.981 33.840 31.823 0.059 0.000 0.988 66 V HN 0.879 nan 8.190 nan 0.000 0.440 67 S N 2.701 118.454 115.700 0.088 0.000 2.672 67 S HA 0.600 5.070 4.470 0.001 0.000 0.276 67 S C 0.013 174.641 174.600 0.046 0.000 1.207 67 S CA -0.512 57.728 58.200 0.066 0.000 1.002 67 S CB 1.656 64.898 63.200 0.069 0.000 0.998 67 S HN 0.741 nan 8.310 nan 0.000 0.542 68 S N 0.891 116.604 115.700 0.023 0.000 2.585 68 S HA 0.466 4.937 4.470 0.001 0.000 0.277 68 S C -2.595 172.032 174.600 0.044 0.000 1.241 68 S CA -1.839 56.358 58.200 -0.005 0.000 1.041 68 S CB 0.286 63.479 63.200 -0.012 0.000 0.987 68 S HN 0.565 nan 8.310 nan 0.000 0.512 69 P HA 0.181 nan 4.420 nan 0.000 0.232 69 P C -0.970 176.413 177.300 0.139 0.000 1.738 69 P CA 0.479 63.651 63.100 0.120 0.000 0.948 69 P CB -0.394 31.344 31.700 0.063 0.000 1.943 70 M N 0.808 120.458 119.600 0.083 0.000 2.321 70 M HA 0.189 4.670 4.480 0.001 0.000 0.315 70 M C 1.053 177.274 176.300 -0.131 0.000 1.052 70 M CA -0.660 54.654 55.300 0.023 0.000 0.936 70 M CB 2.163 34.764 32.600 0.002 0.000 1.639 70 M HN -0.029 nan 8.290 nan 0.000 0.433 71 D N 0.375 120.593 120.400 -0.304 0.000 2.389 71 D HA -0.144 4.497 4.640 0.001 0.000 0.221 71 D C 1.121 177.237 176.300 -0.306 0.000 0.974 71 D CA 1.565 55.150 54.000 -0.692 0.000 0.923 71 D CB -0.365 40.169 40.800 -0.444 0.000 0.892 71 D HN 0.757 nan 8.370 nan 0.000 0.518 72 T N -3.288 111.170 114.554 -0.160 0.000 3.054 72 T HA 0.289 4.639 4.350 0.001 0.000 0.255 72 T C 1.622 176.282 174.700 -0.068 0.000 1.035 72 T CA -0.148 61.897 62.100 -0.091 0.000 0.941 72 T CB 0.600 69.433 68.868 -0.058 0.000 1.026 72 T HN 0.072 nan 8.240 nan 0.000 0.533 73 V N 0.235 120.107 119.914 -0.069 0.000 3.264 73 V HA 0.293 4.413 4.120 0.001 0.000 0.217 73 V C 0.678 176.766 176.094 -0.011 0.000 1.236 73 V CA 0.293 62.574 62.300 -0.032 0.000 1.287 73 V CB 0.455 32.271 31.823 -0.012 0.000 1.241 73 V HN 0.333 nan 8.190 nan 0.000 0.518 74 T N 2.341 116.902 114.554 0.012 0.000 2.770 74 T HA 0.620 4.970 4.350 0.001 0.000 0.283 74 T C -0.826 173.938 174.700 0.108 0.000 0.988 74 T CA -0.150 61.984 62.100 0.057 0.000 0.957 74 T CB 0.815 69.737 68.868 0.090 0.000 0.930 74 T HN 0.398 nan 8.240 nan 0.000 0.443 75 E N 1.569 121.812 120.200 0.072 0.000 2.343 75 E HA 0.488 4.839 4.350 0.001 0.000 0.286 75 E C 0.623 177.226 176.600 0.005 0.000 0.915 75 E CA -0.687 55.757 56.400 0.072 0.000 0.784 75 E CB 1.826 31.598 29.700 0.119 0.000 1.251 75 E HN 0.607 nan 8.360 nan 0.000 0.407 76 A N 2.967 125.761 122.820 -0.043 0.000 1.413 76 A HA -0.428 3.892 4.320 0.001 0.000 0.377 76 A C 1.942 179.503 177.584 -0.039 0.000 5.302 76 A CA 3.113 55.111 52.037 -0.066 0.000 1.029 76 A CB -2.187 16.754 19.000 -0.099 0.000 0.656 76 A HN 0.963 nan 8.150 nan 0.000 0.516 77 G N -1.936 106.856 108.800 -0.013 0.000 2.505 77 G HA2 -0.232 3.728 3.960 0.001 0.000 0.220 77 G HA3 -0.232 3.728 3.960 0.001 0.000 0.220 77 G C 1.475 176.371 174.900 -0.006 0.000 1.145 77 G CA 2.796 47.899 45.100 0.006 0.000 0.761 77 G HN 1.026 nan 8.290 nan 0.000 0.571 78 M N 1.444 121.040 119.600 -0.006 0.000 2.073 78 M HA 0.339 4.820 4.480 0.001 0.000 0.259 78 M C 2.769 179.048 176.300 -0.035 0.000 1.079 78 M CA 1.933 57.226 55.300 -0.010 0.000 1.131 78 M CB -0.825 31.778 32.600 0.006 0.000 1.316 78 M HN 0.206 nan 8.290 nan 0.000 0.415 79 A N 0.270 123.071 122.820 -0.032 0.000 2.009 79 A HA -0.202 4.119 4.320 0.001 0.000 0.222 79 A C 2.194 179.716 177.584 -0.103 0.000 1.175 79 A CA 2.306 54.310 52.037 -0.054 0.000 0.651 79 A CB -1.382 17.583 19.000 -0.058 0.000 0.815 79 A HN 0.692 nan 8.150 nan 0.000 0.459 80 I N -0.941 119.554 120.570 -0.125 0.000 2.193 80 I HA -0.186 3.985 4.170 0.001 0.000 0.240 80 I C 3.006 178.977 176.117 -0.243 0.000 1.084 80 I CA 0.883 62.051 61.300 -0.221 0.000 1.365 80 I CB -0.506 37.338 38.000 -0.261 0.000 1.064 80 I HN 0.346 nan 8.210 nan 0.000 0.410 81 A N 0.593 123.314 122.820 -0.165 0.000 1.851 81 A HA -0.300 4.020 4.320 0.001 0.000 0.216 81 A C 2.296 179.715 177.584 -0.274 0.000 1.195 81 A CA 2.034 53.946 52.037 -0.209 0.000 0.622 81 A CB -0.762 18.163 19.000 -0.125 0.000 0.831 81 A HN 0.343 nan 8.150 nan 0.000 0.444 82 M N 0.025 119.526 119.600 -0.165 0.000 2.116 82 M HA -0.253 4.228 4.480 0.001 0.000 0.255 82 M C 2.134 178.355 176.300 -0.131 0.000 1.075 82 M CA 1.981 57.211 55.300 -0.118 0.000 1.087 82 M CB -0.695 31.875 32.600 -0.050 0.000 1.340 82 M HN 0.464 nan 8.290 nan 0.000 0.402 83 A N -1.196 121.535 122.820 -0.149 0.000 1.930 83 A HA -0.006 4.314 4.320 0.001 0.000 0.215 83 A C 2.160 179.646 177.584 -0.163 0.000 1.176 83 A CA 1.081 53.038 52.037 -0.134 0.000 0.632 83 A CB -0.784 18.139 19.000 -0.129 0.000 0.819 83 A HN 0.515 nan 8.150 nan 0.000 0.445 84 L N 0.244 121.308 121.223 -0.265 0.000 2.083 84 L HA -0.159 4.181 4.340 0.001 0.000 0.209 84 L C 2.782 179.490 176.870 -0.270 0.000 1.083 84 L CA 1.861 56.494 54.840 -0.346 0.000 0.752 84 L CB -0.672 40.987 42.059 -0.666 0.000 0.899 84 L HN 0.658 nan 8.230 nan 0.000 0.433 85 T N -4.440 109.946 114.554 -0.281 0.000 3.088 85 T HA 0.213 4.563 4.350 0.001 0.000 0.259 85 T C 1.335 175.992 174.700 -0.073 0.000 1.122 85 T CA 0.650 62.648 62.100 -0.170 0.000 1.095 85 T CB 0.710 69.435 68.868 -0.238 0.000 0.930 85 T HN 0.481 nan 8.240 nan 0.000 0.508 86 G N -0.422 108.336 108.800 -0.069 0.000 2.318 86 G HA2 0.080 4.040 3.960 0.001 0.000 0.172 86 G HA3 0.080 4.040 3.960 0.001 0.000 0.172 86 G C 0.504 175.386 174.900 -0.028 0.000 1.002 86 G CA -0.083 44.997 45.100 -0.033 0.000 0.697 86 G HN 0.873 nan 8.290 nan 0.000 0.483 87 G N -0.538 108.238 108.800 -0.039 0.000 3.227 87 G HA2 0.796 4.756 3.960 0.001 0.000 0.171 87 G HA3 0.796 4.756 3.960 0.001 0.000 0.171 87 G C -0.250 174.645 174.900 -0.009 0.000 1.463 87 G CA -0.024 45.068 45.100 -0.013 0.000 1.016 87 G HN 1.212 nan 8.290 nan 0.000 0.594 88 I N -2.277 118.302 120.570 0.015 0.000 2.768 88 I HA 0.546 4.716 4.170 0.001 0.000 0.298 88 I C -1.123 175.044 176.117 0.083 0.000 1.672 88 I CA -0.642 60.668 61.300 0.016 0.000 0.962 88 I CB 1.915 39.933 38.000 0.030 0.000 1.409 88 I HN 0.879 nan 8.210 nan 0.000 0.549 89 G N 3.477 112.308 108.800 0.052 0.000 2.620 89 G HA2 0.718 4.679 3.960 0.001 0.000 0.301 89 G HA3 0.718 4.679 3.960 0.001 0.000 0.301 89 G C -2.100 172.892 174.900 0.154 0.000 1.347 89 G CA -0.352 44.841 45.100 0.155 0.000 0.971 89 G HN 0.250 nan 8.290 nan 0.000 0.488 90 F N 1.599 121.537 119.950 -0.020 0.000 2.426 90 F HA 0.459 4.987 4.527 0.001 0.000 0.348 90 F C 0.451 176.251 175.800 0.000 0.000 1.124 90 F CA -1.381 56.604 58.000 -0.025 0.000 1.008 90 F CB 1.655 40.637 39.000 -0.030 0.000 1.139 90 F HN 0.113 nan 8.300 nan 0.000 0.452 91 I N 4.023 124.665 120.570 0.119 0.000 2.634 91 I HA 0.023 4.193 4.170 0.001 0.000 0.284 91 I C 0.814 177.025 176.117 0.157 0.000 1.124 91 I CA -0.341 61.030 61.300 0.118 0.000 1.417 91 I CB 0.096 38.094 38.000 -0.003 0.000 1.396 91 I HN 0.589 nan 8.210 nan 0.000 0.571 92 H N 5.756 124.883 119.070 0.096 0.000 2.690 92 H HA 0.137 4.693 4.556 0.001 0.000 0.365 92 H C -0.165 175.292 175.328 0.216 0.000 1.142 92 H CA -0.299 55.840 56.048 0.151 0.000 1.417 92 H CB 0.010 29.864 29.762 0.153 0.000 1.446 92 H HN 0.746 nan 8.280 nan 0.000 0.599 93 H N 0.830 119.884 119.070 -0.027 0.000 2.539 93 H HA 0.254 4.810 4.556 0.001 0.000 0.293 93 H C -0.427 174.876 175.328 -0.042 0.000 1.156 93 H CA -0.604 55.389 56.048 -0.091 0.000 1.012 93 H CB -0.477 29.271 29.762 -0.023 0.000 1.600 93 H HN 0.677 nan 8.280 nan 0.000 0.538 94 N N 1.880 120.608 118.700 0.047 0.000 3.040 94 N HA 0.287 5.027 4.740 0.001 0.000 0.305 94 N C -1.105 174.444 175.510 0.064 0.000 1.611 94 N CA -0.213 52.897 53.050 0.100 0.000 1.049 94 N CB 0.382 39.070 38.487 0.335 0.000 1.342 94 N HN 0.619 nan 8.380 nan 0.000 0.497 95 C N -1.315 117.972 119.300 -0.023 0.000 3.165 95 C HA 0.362 4.823 4.460 0.001 0.000 0.345 95 C C 0.275 175.281 174.990 0.026 0.000 1.367 95 C CA -1.059 57.959 59.018 0.000 0.000 1.205 95 C CB 0.506 28.328 27.740 0.137 0.000 1.447 95 C HN 0.419 nan 8.230 nan 0.000 0.451 96 T N -1.294 113.286 114.554 0.044 0.000 2.928 96 T HA 0.345 4.696 4.350 0.001 0.000 0.305 96 T C -1.564 173.191 174.700 0.092 0.000 1.035 96 T CA 0.061 62.202 62.100 0.067 0.000 1.145 96 T CB 0.392 69.306 68.868 0.076 0.000 0.963 96 T HN 0.646 nan 8.240 nan 0.000 0.545 97 P HA -0.147 nan 4.420 nan 0.000 0.216 97 P C 1.343 178.629 177.300 -0.022 0.000 1.154 97 P CA 1.165 64.255 63.100 -0.016 0.000 0.865 97 P CB 0.088 31.753 31.700 -0.058 0.000 0.789 98 E N -1.629 118.591 120.200 0.034 0.000 2.085 98 E HA -0.186 4.164 4.350 0.001 0.000 0.194 98 E C 1.735 178.373 176.600 0.063 0.000 0.994 98 E CA 1.040 57.465 56.400 0.042 0.000 0.801 98 E CB -1.274 28.477 29.700 0.086 0.000 0.743 98 E HN 0.244 nan 8.360 nan 0.000 0.453 99 F N 1.444 121.369 119.950 -0.043 0.000 2.134 99 F HA -0.210 4.317 4.527 0.001 0.000 0.299 99 F C 2.387 178.145 175.800 -0.071 0.000 1.097 99 F CA 1.894 59.866 58.000 -0.046 0.000 1.264 99 F CB -0.299 38.678 39.000 -0.039 0.000 1.001 99 F HN 0.027 nan 8.300 nan 0.000 0.479 100 Q N 0.318 120.068 119.800 -0.084 0.000 1.942 100 Q HA -0.200 4.141 4.340 0.001 0.000 0.203 100 Q C 2.362 178.228 176.000 -0.224 0.000 0.987 100 Q CA 1.887 57.571 55.803 -0.200 0.000 0.844 100 Q CB -0.616 28.060 28.738 -0.103 0.000 0.911 100 Q HN 0.416 nan 8.270 nan 0.000 0.423 101 A N 0.937 123.662 122.820 -0.159 0.000 2.042 101 A HA -0.291 4.030 4.320 0.001 0.000 0.222 101 A C 1.737 179.218 177.584 -0.172 0.000 1.167 101 A CA 1.980 53.925 52.037 -0.153 0.000 0.649 101 A CB -1.080 17.842 19.000 -0.130 0.000 0.809 101 A HN 0.674 nan 8.150 nan 0.000 0.457 102 N N -0.356 118.222 118.700 -0.204 0.000 2.188 102 N HA -0.144 4.596 4.740 0.001 0.000 0.184 102 N C 1.523 176.860 175.510 -0.288 0.000 1.018 102 N CA 1.620 54.536 53.050 -0.223 0.000 0.858 102 N CB -0.155 38.201 38.487 -0.218 0.000 0.989 102 N HN 0.408 nan 8.380 nan 0.000 0.426 103 E N 0.059 120.046 120.200 -0.356 0.000 2.107 103 E HA -0.055 4.295 4.350 0.001 0.000 0.191 103 E C 2.160 178.629 176.600 -0.219 0.000 0.982 103 E CA 0.571 56.785 56.400 -0.311 0.000 0.809 103 E CB -0.547 28.953 29.700 -0.332 0.000 0.756 103 E HN 0.238 nan 8.360 nan 0.000 0.459 104 V N 1.563 121.359 119.914 -0.197 0.000 2.252 104 V HA -0.279 3.842 4.120 0.001 0.000 0.249 104 V C 2.593 178.598 176.094 -0.148 0.000 1.056 104 V CA 2.035 64.239 62.300 -0.161 0.000 1.022 104 V CB -0.504 31.227 31.823 -0.152 0.000 0.641 104 V HN 0.192 nan 8.190 nan 0.000 0.445 105 R N -0.045 120.360 120.500 -0.158 0.000 2.073 105 R HA -0.175 4.165 4.340 0.001 0.000 0.234 105 R C 2.478 178.656 176.300 -0.204 0.000 1.134 105 R CA 1.705 57.715 56.100 -0.150 0.000 0.952 105 R CB -0.251 29.960 30.300 -0.148 0.000 0.850 105 R HN 0.516 nan 8.270 nan 0.000 0.433 106 K N -0.197 120.026 120.400 -0.295 0.000 2.127 106 K HA -0.171 4.149 4.320 0.001 0.000 0.208 106 K C 2.022 178.525 176.600 -0.163 0.000 1.047 106 K CA 1.702 57.754 56.287 -0.392 0.000 0.927 106 K CB -0.158 32.141 32.500 -0.335 0.000 0.716 106 K HN 0.073 nan 8.250 nan 0.000 0.450 107 V N 1.818 121.669 119.914 -0.105 0.000 2.231 107 V HA -0.228 3.892 4.120 0.001 0.000 0.240 107 V C 2.153 178.259 176.094 0.020 0.000 1.039 107 V CA 1.531 63.810 62.300 -0.035 0.000 0.998 107 V CB -0.383 31.389 31.823 -0.085 0.000 0.639 107 V HN 0.217 nan 8.190 nan 0.000 0.451 108 K N 0.540 120.926 120.400 -0.023 0.000 2.032 108 K HA -0.261 4.060 4.320 0.001 0.000 0.218 108 K C 1.958 178.597 176.600 0.064 0.000 1.054 108 K CA 1.714 58.004 56.287 0.005 0.000 0.941 108 K CB -0.716 31.771 32.500 -0.023 0.000 0.720 108 K HN 0.214 nan 8.250 nan 0.000 0.449 109 K N 0.395 120.831 120.400 0.060 0.000 2.585 109 K HA -0.092 4.228 4.320 0.001 0.000 0.194 109 K C 1.698 178.416 176.600 0.198 0.000 1.037 109 K CA 0.376 56.741 56.287 0.130 0.000 0.964 109 K CB -0.559 32.040 32.500 0.165 0.000 0.787 109 K HN 0.237 nan 8.250 nan 0.000 0.488 110 Y N 1.395 121.737 120.300 0.071 0.000 2.070 110 Y HA -0.138 4.413 4.550 0.001 0.000 0.279 110 Y C 0.554 176.507 175.900 0.088 0.000 1.134 110 Y CA 1.274 59.431 58.100 0.094 0.000 1.113 110 Y CB 0.093 38.579 38.460 0.043 0.000 0.981 110 Y HN -0.026 nan 8.280 nan 0.000 0.487 111 E N 2.178 122.591 120.200 0.356 0.000 2.422 111 E HA -0.075 4.275 4.350 0.001 0.000 0.260 111 E C -0.041 176.619 176.600 0.099 0.000 1.108 111 E CA 0.548 57.079 56.400 0.218 0.000 0.943 111 E CB -0.003 29.806 29.700 0.181 0.000 0.961 111 E HN 0.412 nan 8.360 nan 0.000 0.443 112 Q N -0.588 119.245 119.800 0.056 0.000 2.443 112 Q HA -0.291 4.049 4.340 0.001 0.000 0.362 112 Q C 0.355 176.367 176.000 0.020 0.000 1.423 112 Q CA 1.124 56.945 55.803 0.030 0.000 1.037 112 Q CB -2.329 26.433 28.738 0.040 0.000 1.208 112 Q HN 0.905 nan 8.270 nan 0.000 0.334 113 G N 0.592 109.376 108.800 -0.027 0.000 2.055 113 G HA2 -0.106 3.854 3.960 0.001 0.000 0.160 113 G HA3 -0.106 3.854 3.960 0.001 0.000 0.160 113 G C -0.334 174.505 174.900 -0.102 0.000 1.087 113 G CA -0.424 44.647 45.100 -0.048 0.000 1.269 113 G HN 0.336 nan 8.290 nan 0.000 0.461 114 F N 0.851 120.724 119.950 -0.128 0.000 2.703 114 F HA 0.297 4.824 4.527 0.001 0.000 0.324 114 F C 1.888 177.514 175.800 -0.292 0.000 1.174 114 F CA 1.425 59.340 58.000 -0.142 0.000 1.367 114 F CB 0.267 39.229 39.000 -0.064 0.000 1.065 114 F HN 0.294 nan 8.300 nan 0.000 0.633 115 I N -1.496 119.141 120.570 0.112 0.000 3.814 115 I HA -0.060 4.110 4.170 0.001 0.000 0.264 115 I C 1.475 177.688 176.117 0.160 0.000 1.145 115 I CA 1.235 62.499 61.300 -0.059 0.000 1.375 115 I CB -0.857 37.108 38.000 -0.058 0.000 1.638 115 I HN 0.737 nan 8.210 nan 0.000 0.432 116 T N 1.242 115.922 114.554 0.210 0.000 11.175 116 T HA -0.212 4.139 4.350 0.001 0.000 0.406 116 T C 0.594 175.383 174.700 0.148 0.000 1.540 116 T CA 1.874 64.083 62.100 0.182 0.000 2.506 116 T CB -1.367 67.609 68.868 0.180 0.000 2.817 116 T HN 0.619 nan 8.240 nan 0.000 0.982 117 D N 1.380 121.885 120.400 0.174 0.000 2.891 117 D HA 0.247 4.887 4.640 0.001 0.000 0.312 117 D C -2.189 174.170 176.300 0.099 0.000 1.354 117 D CA -1.016 53.066 54.000 0.135 0.000 0.838 117 D CB 0.346 41.241 40.800 0.160 0.000 1.117 117 D HN 0.363 nan 8.370 nan 0.000 0.473 118 P HA 0.083 nan 4.420 nan 0.000 0.273 118 P C 0.203 177.526 177.300 0.039 0.000 1.250 118 P CA -0.480 62.648 63.100 0.046 0.000 0.793 118 P CB 1.591 33.309 31.700 0.029 0.000 1.011 119 V N 1.966 121.897 119.914 0.028 0.000 2.427 119 V HA 0.134 4.255 4.120 0.001 0.000 0.268 119 V C 1.029 177.134 176.094 0.019 0.000 1.046 119 V CA -0.031 62.282 62.300 0.022 0.000 0.970 119 V CB 0.526 32.359 31.823 0.017 0.000 1.001 119 V HN 0.477 nan 8.190 nan 0.000 0.476 120 V N 6.004 125.930 119.914 0.021 0.000 3.234 120 V HA 0.900 5.021 4.120 0.001 0.000 0.317 120 V C -0.867 175.237 176.094 0.015 0.000 1.147 120 V CA -0.726 61.585 62.300 0.018 0.000 1.037 120 V CB 2.306 34.142 31.823 0.022 0.000 1.148 120 V HN 0.928 nan 8.190 nan 0.000 0.455 121 L N -1.620 119.611 121.223 0.014 0.000 2.992 121 L HA 0.542 4.882 4.340 0.001 0.000 0.252 121 L C -0.684 176.193 176.870 0.010 0.000 0.983 121 L CA -0.365 54.482 54.840 0.012 0.000 1.005 121 L CB 0.349 42.414 42.059 0.010 0.000 1.506 121 L HN 0.772 nan 8.230 nan 0.000 0.414 122 S N 1.995 117.700 115.700 0.009 0.000 2.593 122 S HA 0.433 4.903 4.470 0.001 0.000 0.269 122 S C -1.459 173.145 174.600 0.007 0.000 1.334 122 S CA -0.202 58.002 58.200 0.008 0.000 1.015 122 S CB 0.676 63.880 63.200 0.008 0.000 0.912 122 S HN 0.725 nan 8.310 nan 0.000 0.541 123 P HA -0.193 nan 4.420 nan 0.000 0.207 123 P C -0.526 176.777 177.300 0.004 0.000 0.954 123 P CA 1.534 64.637 63.100 0.005 0.000 0.990 123 P CB -0.217 31.486 31.700 0.005 0.000 0.721 124 K N 0.922 121.325 120.400 0.004 0.000 2.284 124 K HA 0.458 4.778 4.320 0.001 0.000 0.287 124 K C -0.154 176.448 176.600 0.004 0.000 1.081 124 K CA 0.005 56.294 56.287 0.003 0.000 0.910 124 K CB 0.554 33.055 32.500 0.003 0.000 1.088 124 K HN 0.104 nan 8.250 nan 0.000 0.478 125 D N 1.287 121.689 120.400 0.004 0.000 4.751 125 D HA 0.454 5.094 4.640 0.001 0.000 0.300 125 D C -1.167 175.135 176.300 0.004 0.000 1.775 125 D CA -0.429 53.574 54.000 0.004 0.000 0.996 125 D CB 0.740 41.543 40.800 0.005 0.000 1.564 125 D HN 0.302 nan 8.370 nan 0.000 0.681 126 R N 0.336 120.838 120.500 0.004 0.000 5.532 126 R HA 0.391 4.731 4.340 0.001 0.000 0.254 126 R C -1.621 174.682 176.300 0.004 0.000 0.953 126 R CA -0.207 55.895 56.100 0.004 0.000 1.518 126 R CB 0.300 30.602 30.300 0.003 0.000 1.203 126 R HN 0.143 nan 8.270 nan 0.000 0.691 127 V N 4.161 124.078 119.914 0.004 0.000 3.264 127 V HA 0.491 4.611 4.120 0.001 0.000 0.304 127 V C 0.529 176.626 176.094 0.004 0.000 1.086 127 V CA 0.438 62.740 62.300 0.005 0.000 1.090 127 V CB 1.515 33.341 31.823 0.004 0.000 1.112 127 V HN 0.831 nan 8.190 nan 0.000 0.472 128 R N 1.464 121.967 120.500 0.005 0.000 2.610 128 R HA 0.459 4.800 4.340 0.001 0.000 0.171 128 R C 0.160 176.462 176.300 0.004 0.000 0.892 128 R CA 0.774 56.877 56.100 0.004 0.000 1.086 128 R CB 0.187 30.490 30.300 0.005 0.000 1.320 128 R HN 0.871 nan 8.270 nan 0.000 0.582 141 G N 1.796 110.589 108.800 -0.011 0.000 2.873 141 G HA2 0.649 4.609 3.960 0.001 0.000 0.340 141 G HA3 0.649 4.609 3.960 0.001 0.000 0.340 141 G C -1.106 173.789 174.900 -0.009 0.000 1.171 141 G CA 0.058 45.151 45.100 -0.011 0.000 1.113 141 G HN 0.401 nan 8.290 nan 0.000 0.471 142 I N 4.788 125.355 120.570 -0.005 0.000 2.304 142 I HA 0.298 4.468 4.170 0.001 0.000 0.291 142 I C -1.678 174.438 176.117 -0.001 0.000 1.018 142 I CA -2.835 58.464 61.300 -0.002 0.000 1.260 142 I CB 1.736 39.737 38.000 0.001 0.000 1.390 142 I HN 0.273 nan 8.210 nan 0.000 0.475 143 P HA 0.194 nan 4.420 nan 0.000 0.270 143 P C -0.576 176.727 177.300 0.005 0.000 1.223 143 P CA -0.145 62.956 63.100 0.002 0.000 0.785 143 P CB 1.111 32.813 31.700 0.004 0.000 0.923 144 I N -1.698 118.875 120.570 0.005 0.000 2.542 144 I HA 0.334 4.504 4.170 0.001 0.000 0.278 144 I C 0.021 176.143 176.117 0.009 0.000 1.069 144 I CA -0.601 60.703 61.300 0.007 0.000 1.100 144 I CB 1.620 39.623 38.000 0.005 0.000 1.204 144 I HN 0.163 nan 8.210 nan 0.000 0.470 145 T N 2.242 116.803 114.554 0.011 0.000 2.689 145 T HA 0.031 4.381 4.350 0.001 0.000 0.308 145 T C 0.854 175.561 174.700 0.012 0.000 1.021 145 T CA 1.122 63.230 62.100 0.013 0.000 0.973 145 T CB 1.267 70.145 68.868 0.017 0.000 1.113 145 T HN 0.874 nan 8.240 nan 0.000 0.522 146 D N -0.614 119.794 120.400 0.013 0.000 2.106 146 D HA -0.054 4.586 4.640 0.001 0.000 0.203 146 D C 1.814 178.120 176.300 0.011 0.000 0.977 146 D CA 1.749 55.755 54.000 0.011 0.000 0.844 146 D CB -0.400 40.407 40.800 0.012 0.000 1.002 146 D HN 0.635 nan 8.370 nan 0.000 0.461 147 T N -3.070 111.492 114.554 0.012 0.000 3.312 147 T HA 0.442 4.793 4.350 0.001 0.000 0.251 147 T C 1.553 176.260 174.700 0.012 0.000 1.012 147 T CA 0.322 62.429 62.100 0.012 0.000 0.925 147 T CB -0.134 68.742 68.868 0.012 0.000 1.049 147 T HN 0.333 nan 8.240 nan 0.000 0.583 148 G N 2.308 111.115 108.800 0.012 0.000 2.322 148 G HA2 -0.371 3.589 3.960 0.001 0.000 0.264 148 G HA3 -0.371 3.589 3.960 0.001 0.000 0.264 148 G C 0.207 175.116 174.900 0.015 0.000 0.992 148 G CA 0.599 45.706 45.100 0.012 0.000 0.624 148 G HN 1.015 nan 8.290 nan 0.000 0.543 149 R N -1.242 119.268 120.500 0.017 0.000 2.711 149 R HA 0.771 5.111 4.340 0.001 0.000 0.284 149 R C 0.773 177.088 176.300 0.025 0.000 0.968 149 R CA -0.840 55.272 56.100 0.021 0.000 0.924 149 R CB 0.976 31.288 30.300 0.020 0.000 1.162 149 R HN 0.064 nan 8.270 nan 0.000 0.465 150 M N 3.155 122.773 119.600 0.030 0.000 3.235 150 M HA 0.051 4.532 4.480 0.001 0.000 0.184 150 M C -0.015 176.309 176.300 0.039 0.000 1.325 150 M CA 0.729 56.051 55.300 0.036 0.000 1.374 150 M CB -0.388 32.238 32.600 0.044 0.000 1.620 150 M HN 1.050 nan 8.290 nan 0.000 0.429 151 G N -0.711 108.109 108.800 0.034 0.000 2.763 151 G HA2 0.028 3.988 3.960 0.001 0.000 0.205 151 G HA3 0.028 3.988 3.960 0.001 0.000 0.205 151 G C 0.596 175.515 174.900 0.033 0.000 1.137 151 G CA 0.401 45.523 45.100 0.035 0.000 0.839 151 G HN 0.568 nan 8.290 nan 0.000 0.596 152 S N 0.046 115.762 115.700 0.027 0.000 2.607 152 S HA 0.532 5.002 4.470 0.001 0.000 0.272 152 S C 0.376 174.990 174.600 0.023 0.000 1.166 152 S CA -0.527 57.687 58.200 0.023 0.000 1.021 152 S CB 0.882 64.093 63.200 0.018 0.000 1.113 152 S HN 0.200 nan 8.310 nan 0.000 0.531 153 R N 0.008 120.519 120.500 0.019 0.000 2.566 153 R HA 0.149 4.489 4.340 0.001 0.000 0.273 153 R C -0.363 175.946 176.300 0.016 0.000 0.981 153 R CA 0.150 56.260 56.100 0.017 0.000 1.091 153 R CB -0.522 29.786 30.300 0.013 0.000 0.924 153 R HN 0.620 nan 8.270 nan 0.000 0.411 154 L N 4.610 125.842 121.223 0.015 0.000 2.290 154 L HA 0.255 4.596 4.340 0.001 0.000 0.284 154 L C -0.332 176.543 176.870 0.009 0.000 1.078 154 L CA -0.230 54.617 54.840 0.012 0.000 0.815 154 L CB 1.004 43.069 42.059 0.011 0.000 1.162 154 L HN 0.560 nan 8.230 nan 0.000 0.435 155 V N 4.561 124.479 119.914 0.008 0.000 3.111 155 V HA 0.580 4.701 4.120 0.001 0.000 0.343 155 V C 0.411 176.507 176.094 0.004 0.000 1.417 155 V CA 0.261 62.564 62.300 0.006 0.000 1.142 155 V CB -0.256 31.571 31.823 0.006 0.000 1.114 155 V HN 1.005 nan 8.190 nan 0.000 0.520 156 G N 0.020 108.822 108.800 0.003 0.000 2.341 156 G HA2 0.529 4.489 3.960 0.001 0.000 0.293 156 G HA3 0.529 4.489 3.960 0.001 0.000 0.293 156 G C -1.776 173.125 174.900 0.000 0.000 1.298 156 G CA -0.408 44.693 45.100 0.002 0.000 0.868 156 G HN 0.026 nan 8.290 nan 0.000 0.540 157 I N -0.342 120.228 120.570 -0.001 0.000 3.229 157 I HA 0.687 4.858 4.170 0.001 0.000 0.313 157 I C -0.875 175.240 176.117 -0.002 0.000 1.317 157 I CA -1.124 60.175 61.300 -0.002 0.000 0.940 157 I CB 2.799 40.796 38.000 -0.005 0.000 1.315 157 I HN 0.890 nan 8.210 nan 0.000 0.484 158 I N -0.919 119.650 120.570 -0.003 0.000 2.763 158 I HA 0.786 4.956 4.170 0.001 0.000 0.292 158 I C -0.727 175.388 176.117 -0.004 0.000 1.610 158 I CA -0.369 60.929 61.300 -0.003 0.000 1.002 158 I CB 1.249 39.248 38.000 -0.001 0.000 1.416 158 I HN 0.824 nan 8.210 nan 0.000 0.479 179 M N -0.714 118.886 119.600 -0.000 0.000 2.907 179 M HA 0.766 5.246 4.480 0.001 0.000 0.282 179 M C -0.291 176.008 176.300 -0.001 0.000 1.259 179 M CA -0.580 54.719 55.300 -0.001 0.000 0.753 179 M CB 1.137 33.737 32.600 0.000 0.000 1.744 179 M HN -0.075 nan 8.290 nan 0.000 0.434 180 T N 1.589 116.142 114.554 -0.001 0.000 2.762 180 T HA 0.323 4.674 4.350 0.001 0.000 0.303 180 T C 0.570 175.270 174.700 -0.001 0.000 0.977 180 T CA -0.936 61.163 62.100 -0.002 0.000 0.961 180 T CB 0.364 69.230 68.868 -0.003 0.000 0.944 180 T HN 0.673 nan 8.240 nan 0.000 0.481 181 K N 2.997 123.397 120.400 -0.000 0.000 2.665 181 K HA -0.033 4.287 4.320 0.001 0.000 0.196 181 K C 0.736 177.337 176.600 0.001 0.000 1.021 181 K CA -0.036 56.251 56.287 0.001 0.000 1.066 181 K CB -0.066 32.435 32.500 0.001 0.000 0.849 181 K HN 0.467 nan 8.250 nan 0.000 0.500 182 R N 0.825 121.325 120.500 0.000 0.000 3.774 182 R HA -0.167 4.173 4.340 0.001 0.000 0.320 182 R C 0.107 176.408 176.300 0.001 0.000 1.175 182 R CA 1.356 57.456 56.100 0.001 0.000 0.849 182 R CB -1.504 28.797 30.300 0.002 0.000 1.365 182 R HN 0.728 nan 8.270 nan 0.000 0.502 183 E N -0.059 120.141 120.200 -0.000 0.000 2.022 183 E HA -0.011 4.340 4.350 0.001 0.000 0.193 183 E C 1.004 177.603 176.600 -0.001 0.000 0.969 183 E CA 1.019 57.419 56.400 -0.000 0.000 0.834 183 E CB -0.242 29.458 29.700 -0.000 0.000 0.798 183 E HN 0.520 nan 8.360 nan 0.000 0.467 184 D N 0.554 120.953 120.400 -0.002 0.000 2.538 184 D HA 0.073 4.713 4.640 0.001 0.000 0.231 184 D C -0.158 176.139 176.300 -0.004 0.000 1.229 184 D CA -0.473 53.526 54.000 -0.003 0.000 0.828 184 D CB 0.155 40.954 40.800 -0.003 0.000 1.035 184 D HN 0.161 nan 8.370 nan 0.000 0.495 185 L N 1.938 123.158 121.223 -0.004 0.000 2.418 185 L HA 0.170 4.511 4.340 0.001 0.000 0.274 185 L C -0.178 176.688 176.870 -0.007 0.000 1.135 185 L CA -0.466 54.371 54.840 -0.006 0.000 0.870 185 L CB 1.283 43.340 42.059 -0.005 0.000 1.154 185 L HN -0.067 nan 8.230 nan 0.000 0.462 186 V N 7.318 127.226 119.914 -0.010 0.000 2.529 186 V HA 0.381 4.501 4.120 0.001 0.000 0.292 186 V C -0.356 175.729 176.094 -0.015 0.000 1.028 186 V CA 0.085 62.377 62.300 -0.012 0.000 1.074 186 V CB 0.950 32.764 31.823 -0.015 0.000 0.958 186 V HN 0.642 nan 8.190 nan 0.000 0.481 187 V N 6.592 126.498 119.914 -0.013 0.000 2.686 187 V HA 0.791 4.911 4.120 0.001 0.000 0.306 187 V C 0.182 176.268 176.094 -0.013 0.000 1.065 187 V CA -0.167 62.125 62.300 -0.013 0.000 0.894 187 V CB 1.649 33.468 31.823 -0.006 0.000 1.004 187 V HN 1.208 nan 8.190 nan 0.000 0.424 188 A N 6.260 129.068 122.820 -0.020 0.000 2.312 188 A HA 0.933 5.253 4.320 0.001 0.000 0.326 188 A C -2.819 174.763 177.584 -0.004 0.000 1.172 188 A CA -1.904 50.122 52.037 -0.018 0.000 0.821 188 A CB 1.109 20.087 19.000 -0.037 0.000 1.166 188 A HN 0.623 nan 8.150 nan 0.000 0.493 189 P HA 0.268 nan 4.420 nan 0.000 0.271 189 P C -0.324 176.996 177.300 0.034 0.000 1.216 189 P CA 0.082 63.195 63.100 0.021 0.000 0.776 189 P CB 0.793 32.505 31.700 0.020 0.000 0.881 190 A N 2.878 125.731 122.820 0.055 0.000 2.476 190 A HA 0.469 4.790 4.320 0.001 0.000 0.275 190 A C 1.325 178.964 177.584 0.091 0.000 1.133 190 A CA 1.014 53.107 52.037 0.093 0.000 0.797 190 A CB -1.425 17.638 19.000 0.105 0.000 1.081 190 A HN 0.787 nan 8.150 nan 0.000 0.510 191 G N 2.088 110.952 108.800 0.106 0.000 3.465 191 G HA2 -0.054 3.906 3.960 0.001 0.000 0.219 191 G HA3 -0.054 3.906 3.960 0.001 0.000 0.219 191 G C 0.392 175.337 174.900 0.075 0.000 0.984 191 G CA -0.126 45.029 45.100 0.090 0.000 0.864 191 G HN 1.322 nan 8.290 nan 0.000 0.485 192 I N 1.488 122.086 120.570 0.047 0.000 2.813 192 I HA 0.501 4.671 4.170 0.001 0.000 0.287 192 I C 0.759 176.893 176.117 0.029 0.000 1.196 192 I CA 0.259 61.572 61.300 0.023 0.000 1.421 192 I CB 0.717 38.712 38.000 -0.008 0.000 1.365 192 I HN 0.075 nan 8.210 nan 0.000 0.591 193 T N 4.953 119.520 114.554 0.022 0.000 2.919 193 T HA 0.249 4.599 4.350 0.001 0.000 0.302 193 T C 1.191 175.888 174.700 -0.005 0.000 1.031 193 T CA -0.411 61.705 62.100 0.027 0.000 1.127 193 T CB 0.515 69.397 68.868 0.023 0.000 0.952 193 T HN 0.651 nan 8.240 nan 0.000 0.540 194 L N 3.095 124.316 121.223 -0.004 0.000 2.051 194 L HA -0.174 4.167 4.340 0.001 0.000 0.214 194 L C 2.700 179.545 176.870 -0.041 0.000 1.076 194 L CA 1.925 56.734 54.840 -0.051 0.000 0.758 194 L CB -0.627 41.416 42.059 -0.026 0.000 0.890 194 L HN 0.664 nan 8.230 nan 0.000 0.433 195 K N 0.927 121.317 120.400 -0.017 0.000 2.015 195 K HA -0.250 4.071 4.320 0.001 0.000 0.216 195 K C 1.791 178.380 176.600 -0.020 0.000 1.052 195 K CA 2.022 58.301 56.287 -0.014 0.000 0.937 195 K CB -0.354 32.145 32.500 -0.002 0.000 0.719 195 K HN 0.324 nan 8.250 nan 0.000 0.446 196 E N -0.368 119.822 120.200 -0.017 0.000 2.058 196 E HA -0.203 4.148 4.350 0.001 0.000 0.194 196 E C 2.015 178.596 176.600 -0.031 0.000 0.997 196 E CA 1.364 57.752 56.400 -0.019 0.000 0.801 196 E CB -0.338 29.354 29.700 -0.013 0.000 0.746 196 E HN 0.492 nan 8.360 nan 0.000 0.450 197 A N 1.752 124.543 122.820 -0.048 0.000 1.917 197 A HA -0.263 4.057 4.320 0.001 0.000 0.219 197 A C 1.881 179.429 177.584 -0.060 0.000 1.182 197 A CA 1.652 53.648 52.037 -0.067 0.000 0.633 197 A CB -0.576 18.357 19.000 -0.112 0.000 0.819 197 A HN 0.178 nan 8.150 nan 0.000 0.448 198 N N -0.180 118.488 118.700 -0.053 0.000 2.069 198 N HA -0.173 4.568 4.740 0.001 0.000 0.191 198 N C 1.720 177.210 175.510 -0.033 0.000 1.031 198 N CA 1.732 54.756 53.050 -0.043 0.000 0.852 198 N CB -0.440 38.027 38.487 -0.035 0.000 1.018 198 N HN 0.684 nan 8.380 nan 0.000 0.423 199 E N 0.973 121.157 120.200 -0.027 0.000 2.023 199 E HA -0.124 4.227 4.350 0.001 0.000 0.196 199 E C 2.137 178.724 176.600 -0.022 0.000 1.003 199 E CA 0.887 57.275 56.400 -0.021 0.000 0.809 199 E CB -0.206 29.484 29.700 -0.017 0.000 0.755 199 E HN 0.311 nan 8.360 nan 0.000 0.449 200 I N 1.086 121.641 120.570 -0.025 0.000 2.300 200 I HA -0.315 3.855 4.170 0.001 0.000 0.252 200 I C 2.151 178.253 176.117 -0.026 0.000 1.119 200 I CA 1.044 62.329 61.300 -0.025 0.000 1.384 200 I CB -0.355 37.627 38.000 -0.029 0.000 1.062 200 I HN 0.170 nan 8.210 nan 0.000 0.426 201 L N 0.657 121.862 121.223 -0.031 0.000 2.376 201 L HA -0.180 4.160 4.340 0.001 0.000 0.219 201 L C 2.702 179.559 176.870 -0.023 0.000 1.133 201 L CA 0.619 55.441 54.840 -0.030 0.000 0.816 201 L CB -0.724 41.313 42.059 -0.037 0.000 0.933 201 L HN 0.431 nan 8.230 nan 0.000 0.449 202 Q N 1.349 121.137 119.800 -0.020 0.000 2.142 202 Q HA -0.351 3.989 4.340 0.001 0.000 0.213 202 Q C 2.023 178.015 176.000 -0.014 0.000 1.004 202 Q CA 2.303 58.096 55.803 -0.016 0.000 0.883 202 Q CB -0.674 28.056 28.738 -0.013 0.000 0.939 202 Q HN 0.509 nan 8.270 nan 0.000 0.413 203 R N 0.868 121.359 120.500 -0.015 0.000 2.132 203 R HA -0.185 4.155 4.340 0.001 0.000 0.233 203 R C 1.706 177.998 176.300 -0.013 0.000 1.125 203 R CA 2.925 59.017 56.100 -0.013 0.000 0.914 203 R CB -0.917 29.375 30.300 -0.013 0.000 0.845 203 R HN 0.443 nan 8.270 nan 0.000 0.431 204 S N -2.839 112.852 115.700 -0.015 0.000 5.633 204 S HA -0.066 4.404 4.470 0.001 0.000 0.090 204 S C 0.637 175.227 174.600 -0.017 0.000 1.112 204 S CA 0.297 58.488 58.200 -0.014 0.000 1.357 204 S CB -1.159 62.034 63.200 -0.012 0.000 1.491 204 S HN 0.443 nan 8.310 nan 0.000 0.443 205 K N 2.791 123.181 120.400 -0.017 0.000 2.678 205 K HA -0.152 4.168 4.320 0.001 0.000 0.195 205 K C 0.455 177.041 176.600 -0.023 0.000 1.034 205 K CA 1.123 57.399 56.287 -0.018 0.000 0.946 205 K CB -0.761 31.729 32.500 -0.017 0.000 0.785 205 K HN 0.610 nan 8.250 nan 0.000 0.492 206 K N -0.905 119.480 120.400 -0.025 0.000 2.186 206 K HA -0.049 4.271 4.320 0.001 0.000 0.250 206 K C 1.223 177.804 176.600 -0.033 0.000 1.044 206 K CA 1.165 57.434 56.287 -0.030 0.000 0.795 206 K CB -0.835 31.649 32.500 -0.027 0.000 1.052 206 K HN 0.071 nan 8.250 nan 0.000 0.535 207 G N -1.077 107.699 108.800 -0.039 0.000 2.507 207 G HA2 -0.331 3.630 3.960 0.001 0.000 0.240 207 G HA3 -0.331 3.630 3.960 0.001 0.000 0.240 207 G C -0.273 174.598 174.900 -0.049 0.000 1.119 207 G CA 0.915 45.991 45.100 -0.041 0.000 0.664 207 G HN 0.649 nan 8.290 nan 0.000 0.516 208 K N 0.222 120.595 120.400 -0.046 0.000 2.656 208 K HA 0.670 4.990 4.320 0.001 0.000 0.241 208 K C -0.830 175.739 176.600 -0.052 0.000 0.967 208 K CA -0.247 56.011 56.287 -0.049 0.000 0.946 208 K CB 1.347 33.826 32.500 -0.035 0.000 1.164 208 K HN 0.242 nan 8.250 nan 0.000 0.459 209 L N 5.578 126.759 121.223 -0.071 0.000 2.387 209 L HA 0.462 4.803 4.340 0.001 0.000 0.259 209 L C -2.342 174.482 176.870 -0.076 0.000 1.050 209 L CA -1.926 52.872 54.840 -0.070 0.000 0.922 209 L CB 1.226 43.234 42.059 -0.085 0.000 1.280 209 L HN 0.381 nan 8.230 nan 0.000 0.449 210 P HA 0.013 nan 4.420 nan 0.000 0.262 210 P C -0.492 176.786 177.300 -0.036 0.000 1.182 210 P CA 0.063 63.140 63.100 -0.038 0.000 0.761 210 P CB 0.993 32.683 31.700 -0.018 0.000 0.795 211 I N 3.696 124.247 120.570 -0.030 0.000 2.566 211 I HA 0.404 4.574 4.170 0.001 0.000 0.303 211 I C 0.663 176.796 176.117 0.028 0.000 0.983 211 I CA -0.789 60.506 61.300 -0.009 0.000 1.235 211 I CB 1.566 39.565 38.000 -0.002 0.000 1.386 211 I HN 0.140 nan 8.210 nan 0.000 0.494 212 V N 4.340 124.275 119.914 0.035 0.000 3.049 212 V HA 0.347 4.467 4.120 0.001 0.000 0.309 212 V C -0.014 176.109 176.094 0.049 0.000 1.148 212 V CA -1.057 61.267 62.300 0.040 0.000 0.990 212 V CB 2.276 34.115 31.823 0.026 0.000 1.039 212 V HN 0.877 nan 8.190 nan 0.000 0.430 213 N N 1.505 120.236 118.700 0.051 0.000 2.381 213 N HA 0.131 4.871 4.740 0.001 0.000 0.289 213 N C 0.687 176.221 175.510 0.040 0.000 1.288 213 N CA -0.388 52.693 53.050 0.052 0.000 0.960 213 N CB 0.721 39.241 38.487 0.055 0.000 1.116 213 N HN 0.648 nan 8.380 nan 0.000 0.557 214 E N -0.711 119.512 120.200 0.038 0.000 2.501 214 E HA -0.058 4.292 4.350 0.001 0.000 0.203 214 E C -0.834 175.781 176.600 0.025 0.000 1.072 214 E CA 0.888 57.306 56.400 0.030 0.000 0.885 214 E CB -0.166 29.551 29.700 0.029 0.000 0.813 214 E HN 0.414 nan 8.360 nan 0.000 0.556 215 D N -0.742 119.674 120.400 0.027 0.000 2.547 215 D HA 0.112 4.752 4.640 0.001 0.000 0.231 215 D C -0.790 175.524 176.300 0.023 0.000 1.099 215 D CA -0.629 53.384 54.000 0.022 0.000 0.901 215 D CB 1.168 41.981 40.800 0.022 0.000 1.478 215 D HN -0.178 nan 8.370 nan 0.000 0.471 216 D N 1.080 121.491 120.400 0.019 0.000 2.848 216 D HA 0.071 4.711 4.640 0.001 0.000 0.232 216 D C -0.284 176.028 176.300 0.021 0.000 1.107 216 D CA 0.461 54.472 54.000 0.019 0.000 1.020 216 D CB -0.159 40.649 40.800 0.014 0.000 1.148 216 D HN 0.226 nan 8.370 nan 0.000 0.453 217 E N 0.279 120.496 120.200 0.027 0.000 2.179 217 E HA 0.230 4.581 4.350 0.001 0.000 0.275 217 E C -0.194 176.429 176.600 0.037 0.000 0.945 217 E CA -1.085 55.334 56.400 0.031 0.000 0.792 217 E CB 1.965 31.686 29.700 0.035 0.000 1.125 217 E HN 0.000 nan 8.360 nan 0.000 0.397 218 L N 5.411 126.655 121.223 0.036 0.000 2.376 218 L HA 0.008 4.349 4.340 0.001 0.000 0.250 218 L C 0.942 177.848 176.870 0.060 0.000 1.335 218 L CA 0.568 55.432 54.840 0.041 0.000 1.214 218 L CB -0.158 41.920 42.059 0.032 0.000 1.395 218 L HN 0.614 nan 8.230 nan 0.000 0.424 219 V N 3.393 123.351 119.914 0.073 0.000 2.636 219 V HA -0.066 4.054 4.120 0.001 0.000 0.258 219 V C 1.046 177.221 176.094 0.135 0.000 1.092 219 V CA 1.631 63.990 62.300 0.099 0.000 1.110 219 V CB -0.556 31.334 31.823 0.112 0.000 0.685 219 V HN 0.950 nan 8.190 nan 0.000 0.481 220 A N -1.576 121.321 122.820 0.129 0.000 2.462 220 A HA 0.682 5.002 4.320 0.001 0.000 0.299 220 A C -1.334 176.283 177.584 0.055 0.000 1.047 220 A CA -0.162 51.967 52.037 0.154 0.000 0.581 220 A CB 0.635 19.862 19.000 0.378 0.000 1.466 220 A HN 0.296 nan 8.150 nan 0.000 0.616 221 I N -0.001 120.574 120.570 0.009 0.000 2.775 221 I HA 0.431 4.601 4.170 0.001 0.000 0.295 221 I C -1.473 174.544 176.117 -0.166 0.000 1.287 221 I CA -0.326 60.930 61.300 -0.073 0.000 1.029 221 I CB 2.173 40.150 38.000 -0.038 0.000 1.282 221 I HN 0.532 nan 8.210 nan 0.000 0.426 222 I N 4.738 125.185 120.570 -0.204 0.000 2.382 222 I HA 0.491 4.661 4.170 0.001 0.000 0.285 222 I C 0.244 176.268 176.117 -0.155 0.000 1.007 222 I CA -0.448 60.704 61.300 -0.247 0.000 1.142 222 I CB 1.776 39.578 38.000 -0.329 0.000 1.289 222 I HN 0.563 nan 8.210 nan 0.000 0.453 223 A N 5.746 128.485 122.820 -0.134 0.000 2.327 223 A HA 0.598 4.918 4.320 0.001 0.000 0.283 223 A C 0.218 177.753 177.584 -0.082 0.000 1.127 223 A CA -0.478 51.503 52.037 -0.093 0.000 0.810 223 A CB 0.655 19.607 19.000 -0.080 0.000 1.066 223 A HN 0.749 nan 8.150 nan 0.000 0.492 224 R N 1.072 121.535 120.500 -0.062 0.000 2.705 224 R HA 0.005 4.345 4.340 0.001 0.000 0.264 224 R C 0.884 177.158 176.300 -0.043 0.000 0.988 224 R CA 1.543 57.614 56.100 -0.049 0.000 1.103 224 R CB -0.282 29.996 30.300 -0.037 0.000 0.950 224 R HN 0.726 nan 8.270 nan 0.000 0.427 225 T N 1.724 116.257 114.554 -0.035 0.000 3.072 225 T HA -0.049 4.301 4.350 0.001 0.000 0.266 225 T C 0.101 174.792 174.700 -0.015 0.000 1.127 225 T CA 1.534 63.619 62.100 -0.025 0.000 1.107 225 T CB -0.101 68.756 68.868 -0.019 0.000 0.910 225 T HN 0.649 nan 8.240 nan 0.000 0.513 226 D N 0.518 120.909 120.400 -0.015 0.000 2.837 226 D HA 0.169 4.810 4.640 0.001 0.000 0.340 226 D C 0.451 176.745 176.300 -0.009 0.000 1.451 226 D CA -0.195 53.799 54.000 -0.009 0.000 0.798 226 D CB 0.015 40.810 40.800 -0.007 0.000 1.169 226 D HN 0.129 nan 8.370 nan 0.000 0.449 227 L N -2.415 118.801 121.223 -0.012 0.000 4.368 227 L HA 0.276 4.617 4.340 0.001 0.000 0.430 227 L C 1.142 178.005 176.870 -0.012 0.000 1.098 227 L CA -0.144 54.689 54.840 -0.011 0.000 1.557 227 L CB -1.327 40.724 42.059 -0.014 0.000 1.638 227 L HN -0.094 nan 8.230 nan 0.000 0.622 228 K N 2.930 123.322 120.400 -0.014 0.000 2.073 228 K HA -0.187 4.133 4.320 0.001 0.000 0.229 228 K C 0.555 177.151 176.600 -0.006 0.000 0.937 228 K CA 1.489 57.766 56.287 -0.016 0.000 1.071 228 K CB -1.023 31.465 32.500 -0.021 0.000 0.679 228 K HN 0.376 nan 8.250 nan 0.000 0.575 229 K N 1.067 121.471 120.400 0.007 0.000 2.370 229 K HA -0.110 4.211 4.320 0.001 0.000 0.263 229 K C 0.407 177.011 176.600 0.006 0.000 0.983 229 K CA 1.037 57.336 56.287 0.020 0.000 0.873 229 K CB 0.131 32.656 32.500 0.042 0.000 0.979 229 K HN 0.465 nan 8.250 nan 0.000 0.529 230 N N -0.930 117.769 118.700 -0.000 0.000 2.801 230 N HA 0.052 4.793 4.740 0.001 0.000 0.280 230 N C -0.949 174.530 175.510 -0.052 0.000 0.835 230 N CA 0.101 53.139 53.050 -0.020 0.000 1.145 230 N CB 0.275 38.752 38.487 -0.016 0.000 1.516 230 N HN 0.560 nan 8.380 nan 0.000 1.122 231 R N 2.498 122.953 120.500 -0.075 0.000 2.267 231 R HA 0.270 4.611 4.340 0.001 0.000 0.319 231 R C -0.342 175.761 176.300 -0.329 0.000 1.067 231 R CA -0.348 55.634 56.100 -0.196 0.000 0.936 231 R CB 0.229 30.408 30.300 -0.203 0.000 1.006 231 R HN 0.191 nan 8.270 nan 0.000 0.452 232 D N 2.076 122.276 120.400 -0.335 0.000 2.229 232 D HA 0.079 4.719 4.640 0.001 0.000 0.249 232 D C -0.769 175.241 176.300 -0.483 0.000 1.027 232 D CA -0.661 53.164 54.000 -0.291 0.000 0.923 232 D CB 0.946 41.680 40.800 -0.109 0.000 1.174 232 D HN 0.484 nan 8.370 nan 0.000 0.443 233 Y N 0.578 120.912 120.300 0.057 0.000 2.787 233 Y HA 0.238 4.788 4.550 0.001 0.000 0.352 233 Y C -1.392 174.529 175.900 0.035 0.000 1.027 233 Y CA -1.927 56.206 58.100 0.054 0.000 1.219 233 Y CB 1.728 40.229 38.460 0.069 0.000 1.110 233 Y HN 0.261 nan 8.280 nan 0.000 0.614 234 P HA -0.167 nan 4.420 nan 0.000 0.221 234 P C 0.994 178.340 177.300 0.075 0.000 1.145 234 P CA 1.410 64.556 63.100 0.076 0.000 0.795 234 P CB 0.708 32.434 31.700 0.044 0.000 0.775 235 L N -1.048 120.232 121.223 0.095 0.000 2.416 235 L HA 0.206 4.546 4.340 0.001 0.000 0.216 235 L C 1.229 178.128 176.870 0.047 0.000 1.098 235 L CA -0.150 54.726 54.840 0.059 0.000 0.840 235 L CB -0.785 41.303 42.059 0.048 0.000 0.981 235 L HN -0.158 nan 8.230 nan 0.000 0.462 236 A N 0.825 123.690 122.820 0.074 0.000 2.602 236 A HA -0.109 4.211 4.320 0.001 0.000 0.256 236 A C 0.490 178.081 177.584 0.011 0.000 0.956 236 A CA 0.606 52.665 52.037 0.037 0.000 0.878 236 A CB -0.211 18.842 19.000 0.089 0.000 0.834 236 A HN 0.299 nan 8.150 nan 0.000 0.473 237 S N 3.668 119.356 115.700 -0.020 0.000 2.399 237 S HA 0.385 4.855 4.470 0.001 0.000 0.301 237 S C 0.083 174.671 174.600 -0.020 0.000 1.093 237 S CA -0.447 57.742 58.200 -0.019 0.000 1.077 237 S CB 0.530 63.712 63.200 -0.031 0.000 0.980 237 S HN 0.663 nan 8.310 nan 0.000 0.494 238 K N 1.798 122.195 120.400 -0.005 0.000 2.350 238 K HA 0.466 4.787 4.320 0.001 0.000 0.241 238 K C -0.758 175.838 176.600 -0.006 0.000 0.994 238 K CA -1.151 55.135 56.287 -0.002 0.000 0.839 238 K CB 0.989 33.500 32.500 0.018 0.000 1.244 238 K HN 0.496 nan 8.250 nan 0.000 0.443 239 D N -0.153 120.243 120.400 -0.007 0.000 2.451 239 D HA 0.187 4.827 4.640 0.001 0.000 0.259 239 D C 0.859 177.160 176.300 0.001 0.000 1.201 239 D CA -0.615 53.380 54.000 -0.009 0.000 1.028 239 D CB 0.288 41.080 40.800 -0.014 0.000 1.095 239 D HN 0.453 nan 8.370 nan 0.000 0.539 240 A N -0.603 122.217 122.820 -0.000 0.000 2.084 240 A HA -0.174 4.147 4.320 0.001 0.000 0.221 240 A C 1.158 178.747 177.584 0.009 0.000 1.161 240 A CA 1.180 53.220 52.037 0.004 0.000 0.653 240 A CB -0.545 18.457 19.000 0.003 0.000 0.802 240 A HN 0.392 nan 8.150 nan 0.000 0.457 241 K N -0.045 120.361 120.400 0.010 0.000 3.109 241 K HA 0.144 4.464 4.320 0.001 0.000 0.214 241 K C -0.395 176.219 176.600 0.023 0.000 1.196 241 K CA -0.422 55.874 56.287 0.015 0.000 1.115 241 K CB 0.527 33.035 32.500 0.014 0.000 1.103 241 K HN 0.311 nan 8.250 nan 0.000 0.467 242 K N -0.177 120.238 120.400 0.025 0.000 3.104 242 K HA -0.240 4.080 4.320 0.001 0.000 0.285 242 K C -0.132 176.496 176.600 0.048 0.000 1.136 242 K CA 1.137 57.446 56.287 0.037 0.000 0.842 242 K CB -1.533 30.992 32.500 0.042 0.000 1.217 242 K HN 0.556 nan 8.250 nan 0.000 0.467 243 Q N 0.212 120.033 119.800 0.035 0.000 2.222 243 Q HA 0.476 4.817 4.340 0.001 0.000 0.252 243 Q C 0.542 176.553 176.000 0.017 0.000 0.926 243 Q CA -0.742 55.084 55.803 0.039 0.000 0.899 243 Q CB 1.070 29.823 28.738 0.024 0.000 1.250 243 Q HN 0.137 nan 8.270 nan 0.000 0.441 244 L N 2.018 123.250 121.223 0.015 0.000 2.483 244 L HA 0.082 4.422 4.340 0.001 0.000 0.275 244 L C 0.074 176.913 176.870 -0.052 0.000 1.220 244 L CA 0.027 54.846 54.840 -0.034 0.000 0.833 244 L CB -0.120 41.891 42.059 -0.081 0.000 1.102 244 L HN 0.395 nan 8.230 nan 0.000 0.490 245 L N 1.455 122.635 121.223 -0.071 0.000 2.357 245 L HA 0.420 4.761 4.340 0.001 0.000 0.273 245 L C -0.209 176.584 176.870 -0.129 0.000 1.080 245 L CA -0.199 54.586 54.840 -0.092 0.000 0.803 245 L CB 1.655 43.662 42.059 -0.087 0.000 1.174 245 L HN 0.627 nan 8.230 nan 0.000 0.443 246 C N 1.515 120.714 119.300 -0.168 0.000 2.888 246 C HA 0.918 5.378 4.460 0.001 0.000 0.308 246 C C 0.066 174.855 174.990 -0.335 0.000 1.213 246 C CA -0.201 58.687 59.018 -0.216 0.000 1.461 246 C CB 1.182 28.822 27.740 -0.168 0.000 1.934 246 C HN 0.936 nan 8.230 nan 0.000 0.474 247 G N 1.692 110.193 108.800 -0.497 0.000 2.694 247 G HA2 0.976 4.936 3.960 0.001 0.000 0.290 247 G HA3 0.976 4.936 3.960 0.001 0.000 0.290 247 G C -1.420 173.152 174.900 -0.545 0.000 1.386 247 G CA 0.064 44.683 45.100 -0.802 0.000 0.872 247 G HN 1.717 nan 8.290 nan 0.000 0.475 248 A N -1.072 121.545 122.820 -0.338 0.000 2.605 248 A HA 0.899 5.220 4.320 0.001 0.000 0.294 248 A C -0.341 177.271 177.584 0.047 0.000 1.062 248 A CA 0.086 52.091 52.037 -0.055 0.000 0.682 248 A CB 1.050 19.987 19.000 -0.105 0.000 1.278 248 A HN 2.267 nan 8.150 nan 0.000 0.410 249 A N 1.079 123.904 122.820 0.008 0.000 2.316 249 A HA 0.840 5.160 4.320 0.001 0.000 0.284 249 A C 0.077 177.448 177.584 -0.355 0.000 1.115 249 A CA 0.043 51.971 52.037 -0.181 0.000 0.812 249 A CB 0.032 18.834 19.000 -0.330 0.000 1.064 249 A HN 2.039 nan 8.150 nan 0.000 0.489 250 I N -1.232 119.160 120.570 -0.297 0.000 2.994 250 I HA 0.826 4.997 4.170 0.001 0.000 0.306 250 I C 0.259 176.432 176.117 0.094 0.000 1.195 250 I CA -0.963 60.311 61.300 -0.043 0.000 1.001 250 I CB 1.827 39.845 38.000 0.030 0.000 1.244 250 I HN 0.706 nan 8.210 nan 0.000 0.437 251 G N 1.039 110.019 108.800 0.300 0.000 2.508 251 G HA2 0.439 4.400 3.960 0.001 0.000 0.278 251 G HA3 0.439 4.400 3.960 0.001 0.000 0.278 251 G C 0.404 175.446 174.900 0.238 0.000 1.389 251 G CA 0.241 45.517 45.100 0.293 0.000 1.050 251 G HN 0.954 nan 8.290 nan 0.000 0.522 252 T N -3.312 111.425 114.554 0.306 0.000 3.288 252 T HA 0.339 4.689 4.350 0.001 0.000 0.293 252 T C 0.230 175.026 174.700 0.160 0.000 1.008 252 T CA -0.325 61.896 62.100 0.201 0.000 0.929 252 T CB -0.608 68.350 68.868 0.150 0.000 1.152 252 T HN 0.531 nan 8.240 nan 0.000 0.517 253 H N 0.635 119.713 119.070 0.014 0.000 2.559 253 H HA 0.399 4.956 4.556 0.001 0.000 0.343 253 H C 0.729 176.053 175.328 -0.006 0.000 1.209 253 H CA -1.151 54.880 56.048 -0.028 0.000 1.287 253 H CB 1.387 31.116 29.762 -0.056 0.000 1.650 253 H HN -0.005 nan 8.280 nan 0.000 0.567 254 E N 1.241 121.512 120.200 0.118 0.000 2.048 254 E HA -0.187 4.163 4.350 0.001 0.000 0.202 254 E C 1.188 177.829 176.600 0.069 0.000 1.021 254 E CA 1.550 57.980 56.400 0.049 0.000 0.825 254 E CB -0.432 29.284 29.700 0.027 0.000 0.756 254 E HN 0.619 nan 8.360 nan 0.000 0.454 255 D N 0.843 121.288 120.400 0.075 0.000 2.393 255 D HA -0.124 4.517 4.640 0.001 0.000 0.220 255 D C 1.156 177.528 176.300 0.119 0.000 0.974 255 D CA 0.704 54.756 54.000 0.087 0.000 0.931 255 D CB -0.198 40.629 40.800 0.045 0.000 0.889 255 D HN 0.238 nan 8.370 nan 0.000 0.512 256 D N 0.157 120.622 120.400 0.109 0.000 2.213 256 D HA -0.036 4.604 4.640 0.001 0.000 0.205 256 D C 1.735 178.113 176.300 0.131 0.000 0.961 256 D CA 0.413 54.482 54.000 0.115 0.000 0.853 256 D CB 0.108 40.987 40.800 0.133 0.000 0.967 256 D HN 0.249 nan 8.370 nan 0.000 0.496 257 K N 0.301 120.788 120.400 0.144 0.000 2.160 257 K HA -0.207 4.114 4.320 0.001 0.000 0.206 257 K C 2.094 178.837 176.600 0.239 0.000 1.047 257 K CA 0.972 57.382 56.287 0.205 0.000 0.930 257 K CB -0.189 32.375 32.500 0.107 0.000 0.720 257 K HN 0.201 nan 8.250 nan 0.000 0.450 258 Y N 1.753 122.110 120.300 0.095 0.000 2.220 258 Y HA -0.111 4.440 4.550 0.001 0.000 0.291 258 Y C 2.377 178.319 175.900 0.071 0.000 1.129 258 Y CA 1.135 59.285 58.100 0.084 0.000 1.161 258 Y CB -0.230 38.263 38.460 0.055 0.000 0.997 258 Y HN -0.107 nan 8.280 nan 0.000 0.522 259 R N 0.057 120.465 120.500 -0.154 0.000 2.083 259 R HA -0.214 4.127 4.340 0.001 0.000 0.237 259 R C 2.243 178.432 176.300 -0.185 0.000 1.137 259 R CA 1.910 57.873 56.100 -0.229 0.000 0.951 259 R CB -0.778 29.492 30.300 -0.048 0.000 0.851 259 R HN 0.468 nan 8.270 nan 0.000 0.434 260 L N 1.791 122.975 121.223 -0.065 0.000 1.997 260 L HA -0.253 4.088 4.340 0.001 0.000 0.216 260 L C 1.489 178.288 176.870 -0.118 0.000 1.074 260 L CA 2.174 56.972 54.840 -0.069 0.000 0.763 260 L CB -0.718 41.366 42.059 0.042 0.000 0.890 260 L HN 0.245 nan 8.230 nan 0.000 0.434 261 D N -0.558 119.830 120.400 -0.020 0.000 2.104 261 D HA -0.210 4.430 4.640 0.001 0.000 0.194 261 D C 2.346 178.606 176.300 -0.066 0.000 0.994 261 D CA 1.779 55.807 54.000 0.047 0.000 0.830 261 D CB -0.345 40.551 40.800 0.160 0.000 0.959 261 D HN 0.403 nan 8.370 nan 0.000 0.452 262 L N 0.294 121.398 121.223 -0.197 0.000 2.042 262 L HA -0.174 4.167 4.340 0.001 0.000 0.210 262 L C 2.615 179.399 176.870 -0.142 0.000 1.076 262 L CA 0.777 55.503 54.840 -0.190 0.000 0.749 262 L CB -0.477 41.398 42.059 -0.307 0.000 0.893 262 L HN 0.061 nan 8.230 nan 0.000 0.432 263 L N -0.331 120.795 121.223 -0.162 0.000 2.005 263 L HA -0.164 4.177 4.340 0.001 0.000 0.207 263 L C 2.962 179.737 176.870 -0.159 0.000 1.072 263 L CA 1.154 55.900 54.840 -0.157 0.000 0.744 263 L CB -0.827 41.134 42.059 -0.163 0.000 0.895 263 L HN 0.226 nan 8.230 nan 0.000 0.433 264 A N -0.237 122.461 122.820 -0.203 0.000 1.948 264 A HA -0.283 4.037 4.320 0.001 0.000 0.220 264 A C 2.212 179.752 177.584 -0.073 0.000 1.177 264 A CA 1.854 53.765 52.037 -0.211 0.000 0.636 264 A CB -0.538 18.235 19.000 -0.379 0.000 0.815 264 A HN 0.545 nan 8.150 nan 0.000 0.449 265 Q N -0.940 118.835 119.800 -0.041 0.000 2.119 265 Q HA -0.005 4.335 4.340 0.001 0.000 0.201 265 Q C 2.154 178.135 176.000 -0.032 0.000 0.972 265 Q CA 1.134 56.931 55.803 -0.011 0.000 0.847 265 Q CB -0.326 28.411 28.738 -0.001 0.000 0.903 265 Q HN 0.675 nan 8.270 nan 0.000 0.433 266 A N 0.420 123.202 122.820 -0.063 0.000 2.235 266 A HA 0.241 4.561 4.320 0.001 0.000 0.208 266 A C 1.334 178.878 177.584 -0.066 0.000 1.172 266 A CA 0.786 52.782 52.037 -0.069 0.000 0.786 266 A CB -0.411 18.530 19.000 -0.098 0.000 0.804 266 A HN 0.456 nan 8.150 nan 0.000 0.479 267 G N -1.131 107.631 108.800 -0.063 0.000 2.203 267 G HA2 -0.114 3.847 3.960 0.001 0.000 0.231 267 G HA3 -0.114 3.847 3.960 0.001 0.000 0.231 267 G C 0.176 175.024 174.900 -0.087 0.000 1.058 267 G CA 0.122 45.187 45.100 -0.059 0.000 0.781 267 G HN 1.098 nan 8.290 nan 0.000 0.496 268 V N 0.213 120.056 119.914 -0.118 0.000 2.740 268 V HA 0.271 4.391 4.120 0.001 0.000 0.303 268 V C 1.338 177.345 176.094 -0.144 0.000 1.054 268 V CA 0.857 63.067 62.300 -0.151 0.000 1.106 268 V CB 0.820 32.535 31.823 -0.179 0.000 0.957 268 V HN 0.403 nan 8.190 nan 0.000 0.486 269 D N 3.768 124.073 120.400 -0.159 0.000 2.201 269 D HA 0.061 4.701 4.640 0.001 0.000 0.209 269 D C 0.293 176.509 176.300 -0.141 0.000 0.961 269 D CA 1.344 55.264 54.000 -0.133 0.000 0.861 269 D CB 0.382 41.104 40.800 -0.130 0.000 0.997 269 D HN 0.523 nan 8.370 nan 0.000 0.486 270 V N -1.357 118.434 119.914 -0.206 0.000 3.007 270 V HA 0.691 4.812 4.120 0.001 0.000 0.311 270 V C -0.460 175.519 176.094 -0.192 0.000 1.120 270 V CA -1.026 61.170 62.300 -0.174 0.000 0.980 270 V CB 2.623 34.354 31.823 -0.153 0.000 1.033 270 V HN -0.220 nan 8.190 nan 0.000 0.429 271 V N 2.202 122.079 119.914 -0.061 0.000 2.656 271 V HA 0.647 4.767 4.120 0.001 0.000 0.307 271 V C -0.641 175.528 176.094 0.126 0.000 1.051 271 V CA -0.614 61.684 62.300 -0.005 0.000 0.893 271 V CB 2.051 33.843 31.823 -0.052 0.000 0.999 271 V HN 0.926 nan 8.190 nan 0.000 0.426 272 V N 6.660 126.690 119.914 0.194 0.000 2.350 272 V HA 0.496 4.617 4.120 0.001 0.000 0.285 272 V C -0.179 175.940 176.094 0.041 0.000 1.014 272 V CA -0.493 61.895 62.300 0.146 0.000 0.831 272 V CB 1.432 33.329 31.823 0.124 0.000 1.000 272 V HN 0.750 nan 8.190 nan 0.000 0.433 273 L N 5.782 127.030 121.223 0.040 0.000 2.638 273 L HA 0.208 4.548 4.340 0.001 0.000 0.273 273 L C 0.209 177.092 176.870 0.023 0.000 1.147 273 L CA 0.172 55.037 54.840 0.042 0.000 0.941 273 L CB 0.006 42.104 42.059 0.064 0.000 1.251 273 L HN 0.653 nan 8.230 nan 0.000 0.479 274 D N 3.011 123.412 120.400 0.002 0.000 2.339 274 D HA 0.316 4.956 4.640 0.001 0.000 0.241 274 D C -0.460 175.895 176.300 0.091 0.000 1.183 274 D CA 0.324 54.330 54.000 0.009 0.000 0.859 274 D CB 0.892 41.636 40.800 -0.093 0.000 1.067 274 D HN 0.419 nan 8.370 nan 0.000 0.484 275 S N 1.538 117.279 115.700 0.068 0.000 2.542 275 S HA 0.219 4.690 4.470 0.001 0.000 0.276 275 S C 0.650 175.282 174.600 0.053 0.000 1.148 275 S CA -0.251 57.997 58.200 0.080 0.000 0.886 275 S CB 0.770 64.024 63.200 0.089 0.000 1.109 275 S HN 0.305 nan 8.310 nan 0.000 0.458 276 S N 2.583 118.315 115.700 0.053 0.000 2.603 276 S HA 0.157 4.628 4.470 0.001 0.000 0.229 276 S C 0.432 175.050 174.600 0.030 0.000 0.972 276 S CA 0.416 58.637 58.200 0.036 0.000 0.935 276 S CB -0.144 63.077 63.200 0.035 0.000 0.769 276 S HN 0.631 nan 8.310 nan 0.000 0.536 277 Q N -0.242 119.581 119.800 0.038 0.000 2.444 277 Q HA 0.355 4.696 4.340 0.001 0.000 0.239 277 Q C 0.190 176.214 176.000 0.040 0.000 0.853 277 Q CA 0.144 55.965 55.803 0.031 0.000 0.856 277 Q CB 1.310 30.067 28.738 0.033 0.000 1.413 277 Q HN 0.303 nan 8.270 nan 0.000 0.437 278 G N 2.769 111.585 108.800 0.027 0.000 2.603 278 G HA2 -0.130 3.831 3.960 0.001 0.000 0.214 278 G HA3 -0.130 3.831 3.960 0.001 0.000 0.214 278 G C 0.699 175.611 174.900 0.020 0.000 1.140 278 G CA -0.042 45.077 45.100 0.031 0.000 0.800 278 G HN 0.464 nan 8.290 nan 0.000 0.533 279 N N 1.340 120.042 118.700 0.003 0.000 3.027 279 N HA 0.162 4.903 4.740 0.001 0.000 0.309 279 N C 0.018 175.514 175.510 -0.022 0.000 1.222 279 N CA 0.030 53.070 53.050 -0.017 0.000 1.187 279 N CB -0.162 38.306 38.487 -0.030 0.000 1.458 279 N HN 0.256 nan 8.380 nan 0.000 0.535 280 S N 0.415 116.104 115.700 -0.020 0.000 2.634 280 S HA 0.385 4.855 4.470 0.001 0.000 0.296 280 S C 0.834 175.341 174.600 -0.155 0.000 1.104 280 S CA -0.886 57.273 58.200 -0.069 0.000 0.920 280 S CB 1.083 64.315 63.200 0.053 0.000 1.111 280 S HN 0.102 nan 8.310 nan 0.000 0.493 281 I N 0.434 120.785 120.570 -0.365 0.000 2.546 281 I HA 0.123 4.293 4.170 0.001 0.000 0.255 281 I C 1.180 177.093 176.117 -0.340 0.000 1.163 281 I CA 0.737 61.810 61.300 -0.378 0.000 1.457 281 I CB -0.837 36.862 38.000 -0.501 0.000 1.092 281 I HN 0.705 nan 8.210 nan 0.000 0.434 282 F N 0.149 120.078 119.950 -0.034 0.000 2.234 282 F HA -0.129 4.399 4.527 0.001 0.000 0.299 282 F C 2.600 178.390 175.800 -0.017 0.000 1.087 282 F CA 1.468 59.440 58.000 -0.047 0.000 1.340 282 F CB -1.050 37.894 39.000 -0.094 0.000 1.031 282 F HN 0.191 nan 8.300 nan 0.000 0.500 283 Q N 0.260 120.137 119.800 0.129 0.000 2.204 283 Q HA -0.025 4.316 4.340 0.001 0.000 0.198 283 Q C 2.290 178.328 176.000 0.064 0.000 0.946 283 Q CA 0.674 56.537 55.803 0.100 0.000 0.859 283 Q CB 0.015 28.802 28.738 0.082 0.000 0.946 283 Q HN 0.392 nan 8.270 nan 0.000 0.474 284 I N 1.462 122.044 120.570 0.021 0.000 2.163 284 I HA -0.335 3.835 4.170 0.001 0.000 0.243 284 I C 1.815 177.954 176.117 0.038 0.000 1.085 284 I CA 1.069 62.376 61.300 0.012 0.000 1.347 284 I CB -0.405 37.580 38.000 -0.026 0.000 1.044 284 I HN 0.283 nan 8.210 nan 0.000 0.408 285 N N 0.544 119.266 118.700 0.037 0.000 2.188 285 N HA -0.194 4.547 4.740 0.001 0.000 0.184 285 N C 1.817 177.402 175.510 0.125 0.000 1.018 285 N CA 1.285 54.374 53.050 0.066 0.000 0.858 285 N CB -0.317 38.196 38.487 0.044 0.000 0.989 285 N HN 0.267 nan 8.380 nan 0.000 0.426 286 M N 0.859 120.538 119.600 0.132 0.000 2.296 286 M HA -0.006 4.474 4.480 0.001 0.000 0.265 286 M C 1.515 177.947 176.300 0.220 0.000 1.064 286 M CA 0.947 56.361 55.300 0.191 0.000 1.109 286 M CB -0.095 32.602 32.600 0.162 0.000 1.396 286 M HN -0.033 nan 8.290 nan 0.000 0.430 287 I N 0.114 120.770 120.570 0.143 0.000 2.094 287 I HA -0.273 3.898 4.170 0.001 0.000 0.234 287 I C 2.070 178.255 176.117 0.114 0.000 1.063 287 I CA 1.495 62.860 61.300 0.109 0.000 1.328 287 I CB -1.429 36.612 38.000 0.068 0.000 1.058 287 I HN 0.305 nan 8.210 nan 0.000 0.400 288 K N -0.118 120.344 120.400 0.104 0.000 2.144 288 K HA -0.286 4.035 4.320 0.001 0.000 0.209 288 K C 2.172 178.853 176.600 0.134 0.000 1.047 288 K CA 2.025 58.369 56.287 0.096 0.000 0.927 288 K CB -0.557 31.993 32.500 0.082 0.000 0.716 288 K HN 0.295 nan 8.250 nan 0.000 0.454 289 Y N 1.572 121.907 120.300 0.057 0.000 2.070 289 Y HA -0.193 4.358 4.550 0.001 0.000 0.279 289 Y C 1.903 177.864 175.900 0.101 0.000 1.134 289 Y CA 1.410 59.553 58.100 0.072 0.000 1.113 289 Y CB -0.387 38.121 38.460 0.082 0.000 0.981 289 Y HN -0.086 nan 8.280 nan 0.000 0.487 290 I N 0.168 120.699 120.570 -0.065 0.000 2.208 290 I HA -0.329 3.841 4.170 0.001 0.000 0.245 290 I C 2.379 178.478 176.117 -0.031 0.000 1.097 290 I CA 1.681 62.924 61.300 -0.095 0.000 1.363 290 I CB -0.526 37.500 38.000 0.044 0.000 1.051 290 I HN 0.148 nan 8.210 nan 0.000 0.413 291 K N 1.024 121.425 120.400 0.001 0.000 2.059 291 K HA -0.270 4.051 4.320 0.001 0.000 0.212 291 K C 1.708 178.300 176.600 -0.014 0.000 1.050 291 K CA 2.074 58.367 56.287 0.010 0.000 0.927 291 K CB -0.369 32.144 32.500 0.022 0.000 0.714 291 K HN 0.307 nan 8.250 nan 0.000 0.447 292 D N -0.162 120.208 120.400 -0.050 0.000 2.096 292 D HA -0.136 4.505 4.640 0.001 0.000 0.207 292 D C 1.474 177.684 176.300 -0.151 0.000 0.976 292 D CA 1.359 55.313 54.000 -0.076 0.000 0.875 292 D CB -0.246 40.520 40.800 -0.056 0.000 1.009 292 D HN 0.107 nan 8.370 nan 0.000 0.449 293 K N -1.472 118.759 120.400 -0.282 0.000 2.520 293 K HA -0.189 4.132 4.320 0.001 0.000 0.198 293 K C -0.260 175.946 176.600 -0.657 0.000 1.045 293 K CA 0.941 56.949 56.287 -0.465 0.000 0.934 293 K CB -0.147 31.965 32.500 -0.646 0.000 0.766 293 K HN 0.323 nan 8.250 nan 0.000 0.483 294 Y N -1.731 118.474 120.300 -0.157 0.000 2.720 294 Y HA 0.211 4.762 4.550 0.001 0.000 0.279 294 Y C -2.233 173.623 175.900 -0.073 0.000 1.013 294 Y CA -1.697 56.341 58.100 -0.103 0.000 1.170 294 Y CB 1.342 39.737 38.460 -0.107 0.000 1.150 294 Y HN 0.027 nan 8.280 nan 0.000 0.596 295 P HA -0.175 nan 4.420 nan 0.000 0.217 295 P C 0.431 177.752 177.300 0.034 0.000 1.148 295 P CA 1.664 64.779 63.100 0.024 0.000 0.834 295 P CB 0.245 31.944 31.700 -0.002 0.000 0.783 296 N N -1.110 117.619 118.700 0.048 0.000 2.451 296 N HA 0.222 4.963 4.740 0.001 0.000 0.264 296 N C -0.758 174.768 175.510 0.027 0.000 1.167 296 N CA -0.083 52.986 53.050 0.032 0.000 0.898 296 N CB -0.173 38.329 38.487 0.026 0.000 1.176 296 N HN 0.032 nan 8.380 nan 0.000 0.507 297 L N 0.425 121.665 121.223 0.028 0.000 2.381 297 L HA 0.431 4.771 4.340 0.001 0.000 0.274 297 L C -1.005 175.859 176.870 -0.011 0.000 0.988 297 L CA -0.581 54.251 54.840 -0.013 0.000 0.824 297 L CB 1.520 43.550 42.059 -0.048 0.000 1.263 297 L HN 0.016 nan 8.230 nan 0.000 0.410 298 Q N 3.906 123.694 119.800 -0.021 0.000 2.279 298 Q HA 0.437 4.777 4.340 0.001 0.000 0.256 298 Q C -0.968 175.036 176.000 0.008 0.000 0.937 298 Q CA -0.346 55.456 55.803 -0.001 0.000 0.933 298 Q CB 1.955 30.694 28.738 0.001 0.000 1.189 298 Q HN 0.497 nan 8.270 nan 0.000 0.417 299 V N 4.543 124.471 119.914 0.024 0.000 2.427 299 V HA 0.478 4.599 4.120 0.001 0.000 0.286 299 V C 0.249 176.375 176.094 0.053 0.000 1.034 299 V CA -0.614 61.709 62.300 0.037 0.000 0.893 299 V CB 1.459 33.304 31.823 0.036 0.000 0.982 299 V HN 0.592 nan 8.190 nan 0.000 0.452 300 I N 3.716 124.330 120.570 0.072 0.000 2.382 300 I HA 0.442 4.612 4.170 0.001 0.000 0.285 300 I C 1.020 177.162 176.117 0.042 0.000 1.007 300 I CA -0.359 60.981 61.300 0.067 0.000 1.142 300 I CB 1.530 39.592 38.000 0.105 0.000 1.289 300 I HN 0.764 nan 8.210 nan 0.000 0.453 301 G N 4.416 113.233 108.800 0.028 0.000 2.380 301 G HA2 0.321 4.281 3.960 0.001 0.000 0.242 301 G HA3 0.321 4.281 3.960 0.001 0.000 0.242 301 G C 0.696 175.603 174.900 0.011 0.000 1.298 301 G CA -0.129 44.983 45.100 0.021 0.000 0.878 301 G HN 0.780 nan 8.290 nan 0.000 0.542 302 G N 1.437 110.249 108.800 0.019 0.000 2.945 302 G HA2 0.029 3.989 3.960 0.001 0.000 0.248 302 G HA3 0.029 3.989 3.960 0.001 0.000 0.248 302 G C 0.272 175.175 174.900 0.005 0.000 1.250 302 G CA -0.380 44.730 45.100 0.017 0.000 0.886 302 G HN 0.736 nan 8.290 nan 0.000 0.609 303 N N -0.694 118.008 118.700 0.004 0.000 2.468 303 N HA 0.360 5.100 4.740 0.001 0.000 0.265 303 N C 0.283 175.792 175.510 -0.002 0.000 1.199 303 N CA 0.036 53.084 53.050 -0.003 0.000 0.928 303 N CB 1.448 39.934 38.487 -0.002 0.000 1.059 303 N HN 0.571 nan 8.380 nan 0.000 0.467 304 V N -0.583 119.327 119.914 -0.008 0.000 3.102 304 V HA 0.717 4.838 4.120 0.001 0.000 0.312 304 V C 0.412 176.497 176.094 -0.015 0.000 1.135 304 V CA -0.868 61.424 62.300 -0.014 0.000 1.022 304 V CB 1.855 33.665 31.823 -0.020 0.000 1.056 304 V HN 0.389 nan 8.190 nan 0.000 0.436 305 V N -1.951 117.950 119.914 -0.022 0.000 3.372 305 V HA 0.496 4.616 4.120 0.001 0.000 0.304 305 V C 0.368 176.445 176.094 -0.028 0.000 1.530 305 V CA 0.722 63.010 62.300 -0.020 0.000 1.080 305 V CB -0.436 31.377 31.823 -0.016 0.000 0.929 305 V HN 1.377 nan 8.190 nan 0.000 0.455 306 T N -3.382 111.143 114.554 -0.048 0.000 2.896 306 T HA 0.814 5.164 4.350 0.001 0.000 0.297 306 T C 0.813 175.434 174.700 -0.131 0.000 1.108 306 T CA 0.177 62.232 62.100 -0.074 0.000 1.004 306 T CB 2.026 70.850 68.868 -0.074 0.000 1.159 306 T HN 0.552 nan 8.240 nan 0.000 0.499 307 A N 0.591 123.286 122.820 -0.209 0.000 2.067 307 A HA 0.464 4.784 4.320 0.001 0.000 0.217 307 A C 2.392 179.669 177.584 -0.510 0.000 1.156 307 A CA 1.234 53.001 52.037 -0.451 0.000 0.683 307 A CB -1.194 17.427 19.000 -0.631 0.000 0.808 307 A HN 1.278 nan 8.150 nan 0.000 0.455 308 A N -0.352 122.289 122.820 -0.298 0.000 1.969 308 A HA -0.160 4.161 4.320 0.001 0.000 0.218 308 A C 2.107 179.591 177.584 -0.167 0.000 1.169 308 A CA 1.518 53.421 52.037 -0.222 0.000 0.635 308 A CB -0.378 18.540 19.000 -0.138 0.000 0.810 308 A HN 0.647 nan 8.150 nan 0.000 0.445 309 Q N -0.631 119.087 119.800 -0.137 0.000 1.994 309 Q HA 0.003 4.343 4.340 0.001 0.000 0.198 309 Q C 2.521 178.467 176.000 -0.091 0.000 0.976 309 Q CA 1.086 56.835 55.803 -0.091 0.000 0.828 309 Q CB -0.429 28.271 28.738 -0.063 0.000 0.894 309 Q HN 0.611 nan 8.270 nan 0.000 0.432 310 A N 2.210 124.971 122.820 -0.099 0.000 1.915 310 A HA -0.344 3.976 4.320 0.001 0.000 0.220 310 A C 2.062 179.617 177.584 -0.048 0.000 1.198 310 A CA 2.181 54.186 52.037 -0.053 0.000 0.647 310 A CB -0.766 18.233 19.000 -0.002 0.000 0.825 310 A HN 0.345 nan 8.150 nan 0.000 0.456 311 K N -0.151 120.200 120.400 -0.082 0.000 2.052 311 K HA -0.284 4.037 4.320 0.001 0.000 0.215 311 K C 1.819 178.375 176.600 -0.075 0.000 1.053 311 K CA 2.206 58.468 56.287 -0.040 0.000 0.934 311 K CB -0.479 31.982 32.500 -0.066 0.000 0.717 311 K HN 0.725 nan 8.250 nan 0.000 0.450 312 N N 0.266 118.927 118.700 -0.065 0.000 2.120 312 N HA -0.145 4.596 4.740 0.001 0.000 0.188 312 N C 1.890 177.374 175.510 -0.043 0.000 1.024 312 N CA 1.281 54.300 53.050 -0.051 0.000 0.852 312 N CB -0.103 38.354 38.487 -0.050 0.000 1.003 312 N HN 0.195 nan 8.380 nan 0.000 0.424 313 L N 0.746 121.945 121.223 -0.040 0.000 2.217 313 L HA -0.047 4.294 4.340 0.001 0.000 0.211 313 L C 2.078 178.930 176.870 -0.031 0.000 1.107 313 L CA 0.678 55.504 54.840 -0.024 0.000 0.783 313 L CB -0.265 41.785 42.059 -0.015 0.000 0.919 313 L HN 0.223 nan 8.230 nan 0.000 0.442 314 I N -0.174 120.357 120.570 -0.065 0.000 2.353 314 I HA -0.232 3.939 4.170 0.001 0.000 0.248 314 I C 1.956 178.032 176.117 -0.069 0.000 1.119 314 I CA 1.051 62.295 61.300 -0.093 0.000 1.417 314 I CB -0.216 37.644 38.000 -0.234 0.000 1.078 314 I HN 0.255 nan 8.210 nan 0.000 0.421 315 D N 1.200 121.558 120.400 -0.069 0.000 2.224 315 D HA -0.085 4.555 4.640 0.001 0.000 0.205 315 D C 2.191 178.486 176.300 -0.009 0.000 0.965 315 D CA 1.213 55.195 54.000 -0.031 0.000 0.852 315 D CB 0.016 40.800 40.800 -0.027 0.000 0.947 315 D HN 0.313 nan 8.370 nan 0.000 0.494 316 A N 0.289 123.103 122.820 -0.009 0.000 2.015 316 A HA 0.225 4.546 4.320 0.001 0.000 0.219 316 A C 1.778 179.371 177.584 0.015 0.000 1.163 316 A CA 1.650 53.692 52.037 0.008 0.000 0.646 316 A CB -0.196 18.811 19.000 0.011 0.000 0.806 316 A HN 0.313 nan 8.150 nan 0.000 0.448 317 G N -1.102 107.703 108.800 0.009 0.000 2.186 317 G HA2 0.027 3.988 3.960 0.001 0.000 0.130 317 G HA3 0.027 3.988 3.960 0.001 0.000 0.130 317 G C 0.198 175.110 174.900 0.020 0.000 1.031 317 G CA 0.122 45.232 45.100 0.016 0.000 0.697 317 G HN 1.534 nan 8.290 nan 0.000 0.494 318 V N -2.454 117.469 119.914 0.015 0.000 3.432 318 V HA 0.556 4.677 4.120 0.001 0.000 0.304 318 V C 0.726 176.835 176.094 0.024 0.000 1.107 318 V CA 0.632 62.946 62.300 0.022 0.000 1.153 318 V CB 1.132 32.966 31.823 0.018 0.000 1.072 318 V HN 0.093 nan 8.190 nan 0.000 0.485 319 D N 1.129 121.547 120.400 0.030 0.000 2.479 319 D HA 0.622 5.263 4.640 0.001 0.000 0.218 319 D C 0.316 176.638 176.300 0.037 0.000 1.177 319 D CA 1.048 55.067 54.000 0.032 0.000 0.830 319 D CB 1.093 41.911 40.800 0.031 0.000 1.014 319 D HN 1.059 nan 8.370 nan 0.000 0.503 320 A N -0.027 122.814 122.820 0.036 0.000 2.456 320 A HA 0.645 4.966 4.320 0.001 0.000 0.294 320 A C -2.047 175.553 177.584 0.027 0.000 1.057 320 A CA -0.643 51.416 52.037 0.037 0.000 0.623 320 A CB 0.696 19.726 19.000 0.050 0.000 1.338 320 A HN 0.040 nan 8.150 nan 0.000 0.464 321 L N 0.025 121.261 121.223 0.022 0.000 2.445 321 L HA 0.636 4.977 4.340 0.001 0.000 0.262 321 L C -0.210 176.658 176.870 -0.002 0.000 0.974 321 L CA -0.553 54.294 54.840 0.011 0.000 0.822 321 L CB 2.398 44.466 42.059 0.015 0.000 1.339 321 L HN 0.812 nan 8.230 nan 0.000 0.409 322 R N 2.102 122.593 120.500 -0.015 0.000 2.275 322 R HA 0.581 4.921 4.340 0.001 0.000 0.326 322 R C -1.509 174.780 176.300 -0.018 0.000 0.973 322 R CA -0.451 55.629 56.100 -0.033 0.000 0.854 322 R CB 1.381 31.645 30.300 -0.060 0.000 1.156 322 R HN 0.392 nan 8.270 nan 0.000 0.487 323 V N 3.369 123.278 119.914 -0.008 0.000 2.407 323 V HA 0.739 4.860 4.120 0.001 0.000 0.278 323 V C 0.341 176.435 176.094 0.001 0.000 1.037 323 V CA -0.229 62.070 62.300 -0.001 0.000 0.900 323 V CB 1.515 33.343 31.823 0.007 0.000 0.983 323 V HN 0.978 nan 8.190 nan 0.000 0.459 324 G N 5.035 113.833 108.800 -0.004 0.000 2.026 324 G HA2 0.320 4.280 3.960 0.001 0.000 0.208 324 G HA3 0.320 4.280 3.960 0.001 0.000 0.208 324 G C -1.263 173.634 174.900 -0.005 0.000 1.640 324 G CA -0.646 44.452 45.100 -0.003 0.000 0.946 324 G HN 0.704 nan 8.290 nan 0.000 0.709 325 M N 2.984 122.580 119.600 -0.008 0.000 2.210 325 M HA 0.543 5.023 4.480 0.001 0.000 0.235 325 M C 0.421 176.716 176.300 -0.007 0.000 0.974 325 M CA 0.674 55.971 55.300 -0.005 0.000 1.043 325 M CB 0.900 33.497 32.600 -0.004 0.000 2.331 325 M HN 2.184 nan 8.290 nan 0.000 0.452 326 G N 1.491 110.288 108.800 -0.005 0.000 2.188 326 G HA2 -0.051 3.909 3.960 0.001 0.000 0.112 326 G HA3 -0.051 3.909 3.960 0.001 0.000 0.112 326 G C -0.668 174.226 174.900 -0.010 0.000 1.048 326 G CA 0.143 45.239 45.100 -0.007 0.000 0.720 326 G HN 0.829 nan 8.290 nan 0.000 0.487 327 S N -1.353 114.344 115.700 -0.005 0.000 2.672 327 S HA 0.959 5.429 4.470 0.001 0.000 0.271 327 S C 0.357 174.962 174.600 0.008 0.000 1.171 327 S CA 1.144 59.343 58.200 -0.002 0.000 0.817 327 S CB 1.251 64.446 63.200 -0.008 0.000 1.150 327 S HN 2.411 nan 8.310 nan 0.000 0.478 328 G N 1.244 110.053 108.800 0.015 0.000 2.787 328 G HA2 -0.078 3.882 3.960 0.001 0.000 0.685 328 G HA3 -0.078 3.882 3.960 0.001 0.000 0.685 328 G C -0.230 174.679 174.900 0.015 0.000 1.437 328 G CA -0.312 44.800 45.100 0.019 0.000 0.872 328 G HN 1.590 nan 8.290 nan 0.000 0.566 329 S N -0.638 115.071 115.700 0.016 0.000 2.542 329 S HA 0.227 4.698 4.470 0.001 0.000 0.287 329 S C 0.917 175.523 174.600 0.010 0.000 1.315 329 S CA 0.581 58.788 58.200 0.012 0.000 1.037 329 S CB 0.343 63.548 63.200 0.009 0.000 0.822 329 S HN 0.723 nan 8.310 nan 0.000 0.513 330 I N 1.629 122.204 120.570 0.008 0.000 2.354 330 I HA 0.236 4.407 4.170 0.001 0.000 0.292 330 I C 0.896 177.016 176.117 0.005 0.000 0.989 330 I CA -0.789 60.515 61.300 0.007 0.000 1.188 330 I CB 1.264 39.268 38.000 0.006 0.000 1.342 330 I HN 0.936 nan 8.210 nan 0.000 0.457 331 C N 4.370 123.674 119.300 0.006 0.000 2.628 331 C HA 0.468 4.929 4.460 0.001 0.000 0.393 331 C C 1.059 176.051 174.990 0.003 0.000 1.328 331 C CA 0.068 59.089 59.018 0.004 0.000 2.079 331 C CB 0.328 28.072 27.740 0.007 0.000 2.663 331 C HN 0.840 nan 8.230 nan 0.000 0.557 332 I N -0.709 119.863 120.570 0.004 0.000 4.760 332 I HA 0.032 4.202 4.170 0.001 0.000 0.363 332 I C 0.537 176.655 176.117 0.002 0.000 0.656 332 I CA 1.324 62.624 61.300 0.001 0.000 1.520 332 I CB -0.568 37.431 38.000 -0.001 0.000 3.247 332 I HN 0.147 nan 8.210 nan 0.000 0.986 333 T N 3.448 118.005 114.554 0.004 0.000 3.228 333 T HA 0.548 4.898 4.350 0.001 0.000 0.278 333 T C -0.169 174.535 174.700 0.008 0.000 1.014 333 T CA 0.485 62.588 62.100 0.005 0.000 0.904 333 T CB -0.099 68.772 68.868 0.004 0.000 1.110 333 T HN 0.646 nan 8.240 nan 0.000 0.541 334 Q N -1.118 118.687 119.800 0.008 0.000 3.063 334 Q HA 0.352 4.692 4.340 0.001 0.000 0.333 334 Q C -0.747 175.258 176.000 0.009 0.000 0.836 334 Q CA -0.611 55.197 55.803 0.009 0.000 0.941 334 Q CB 0.345 29.090 28.738 0.013 0.000 1.414 334 Q HN -0.010 nan 8.270 nan 0.000 0.510 335 E N -0.703 119.502 120.200 0.008 0.000 2.132 335 E HA -0.012 4.338 4.350 0.001 0.000 0.283 335 E C -1.300 175.303 176.600 0.005 0.000 1.061 335 E CA 1.032 57.437 56.400 0.007 0.000 2.129 335 E CB -0.520 29.183 29.700 0.006 0.000 2.736 335 E HN 1.104 nan 8.360 nan 0.000 1.135 336 V N 2.691 122.607 119.914 0.004 0.000 2.304 336 V HA 0.534 4.654 4.120 0.001 0.000 0.262 336 V C 0.999 177.095 176.094 0.003 0.000 1.061 336 V CA -0.180 62.121 62.300 0.002 0.000 0.872 336 V CB 0.630 32.454 31.823 0.001 0.000 1.077 336 V HN 0.460 nan 8.190 nan 0.000 0.480 337 L N 3.457 124.682 121.223 0.004 0.000 2.357 337 L HA 0.569 4.909 4.340 0.001 0.000 0.211 337 L C 1.859 178.731 176.870 0.003 0.000 1.075 337 L CA 1.182 56.024 54.840 0.004 0.000 0.830 337 L CB 0.443 42.506 42.059 0.007 0.000 0.996 337 L HN 0.874 nan 8.230 nan 0.000 0.467 338 A N -2.715 120.106 122.820 0.001 0.000 3.483 338 A HA -0.088 4.232 4.320 0.001 0.000 0.206 338 A C 0.347 177.930 177.584 -0.001 0.000 1.437 338 A CA -0.271 51.766 52.037 -0.000 0.000 1.324 338 A CB -1.178 17.822 19.000 0.001 0.000 0.762 338 A HN 0.211 nan 8.150 nan 0.000 0.416 339 C N 1.063 120.363 119.300 -0.000 0.000 2.452 339 C HA 0.722 5.183 4.460 0.001 0.000 0.379 339 C C 1.105 176.093 174.990 -0.003 0.000 1.275 339 C CA 0.887 59.904 59.018 -0.002 0.000 2.056 339 C CB 0.124 27.864 27.740 -0.000 0.000 2.506 339 C HN 1.740 nan 8.230 nan 0.000 0.560 340 G N 2.371 111.168 108.800 -0.006 0.000 2.325 340 G HA2 0.634 4.594 3.960 0.001 0.000 0.295 340 G HA3 0.634 4.594 3.960 0.001 0.000 0.295 340 G C -1.777 173.117 174.900 -0.011 0.000 1.274 340 G CA -0.680 44.415 45.100 -0.008 0.000 0.857 340 G HN 0.777 nan 8.290 nan 0.000 0.499 341 R N -0.451 120.040 120.500 -0.015 0.000 2.725 341 R HA 0.453 4.794 4.340 0.001 0.000 0.254 341 R C -3.079 173.204 176.300 -0.028 0.000 1.076 341 R CA -1.036 55.054 56.100 -0.017 0.000 0.940 341 R CB 1.999 32.291 30.300 -0.013 0.000 1.260 341 R HN 0.441 nan 8.270 nan 0.000 0.466 342 P HA 0.016 nan 4.420 nan 0.000 0.268 342 P C -0.228 177.019 177.300 -0.089 0.000 1.204 342 P CA -0.116 62.952 63.100 -0.054 0.000 0.768 342 P CB 1.037 32.717 31.700 -0.034 0.000 0.842 343 Q N 4.219 123.920 119.800 -0.166 0.000 2.014 343 Q HA -0.251 4.090 4.340 0.001 0.000 0.207 343 Q C 1.991 177.816 176.000 -0.292 0.000 0.993 343 Q CA 2.677 58.333 55.803 -0.245 0.000 0.850 343 Q CB -1.243 27.267 28.738 -0.380 0.000 0.916 343 Q HN 0.527 nan 8.270 nan 0.000 0.417 344 A N -0.743 121.805 122.820 -0.453 0.000 1.869 344 A HA -0.266 4.054 4.320 0.001 0.000 0.218 344 A C 2.389 179.942 177.584 -0.051 0.000 1.203 344 A CA 2.501 54.400 52.037 -0.230 0.000 0.638 344 A CB -1.434 17.605 19.000 0.064 0.000 0.831 344 A HN 0.543 nan 8.150 nan 0.000 0.450 345 T N -0.045 114.555 114.554 0.077 0.000 2.881 345 T HA 0.025 4.375 4.350 0.001 0.000 0.270 345 T C 2.045 176.802 174.700 0.095 0.000 1.068 345 T CA 1.427 63.628 62.100 0.168 0.000 1.131 345 T CB -0.359 68.601 68.868 0.153 0.000 0.871 345 T HN 0.625 nan 8.240 nan 0.000 0.479 346 A N 0.655 123.487 122.820 0.019 0.000 1.929 346 A HA 0.041 4.362 4.320 0.001 0.000 0.216 346 A C 2.524 180.111 177.584 0.005 0.000 1.176 346 A CA 0.920 52.963 52.037 0.009 0.000 0.628 346 A CB -0.720 18.271 19.000 -0.016 0.000 0.816 346 A HN 0.355 nan 8.150 nan 0.000 0.444 347 V N -1.204 118.708 119.914 -0.003 0.000 2.237 347 V HA -0.281 3.840 4.120 0.001 0.000 0.245 347 V C 2.318 178.395 176.094 -0.028 0.000 1.046 347 V CA 2.123 64.427 62.300 0.005 0.000 1.007 347 V CB -1.151 30.700 31.823 0.047 0.000 0.638 347 V HN 0.691 nan 8.190 nan 0.000 0.445 348 Y N 1.402 121.598 120.300 -0.173 0.000 2.062 348 Y HA -0.314 4.237 4.550 0.000 0.000 0.276 348 Y C 2.578 178.443 175.900 -0.057 0.000 1.189 348 Y CA 2.103 60.066 58.100 -0.228 0.000 1.130 348 Y CB -0.263 37.921 38.460 -0.461 0.000 0.959 348 Y HN 0.066 nan 8.280 nan 0.000 0.499 349 K N -0.379 119.974 120.400 -0.079 0.000 2.025 349 K HA -0.089 4.232 4.320 0.001 0.000 0.207 349 K C 2.155 178.708 176.600 -0.079 0.000 1.049 349 K CA 1.609 57.849 56.287 -0.080 0.000 0.933 349 K CB -0.870 31.666 32.500 0.060 0.000 0.714 349 K HN 0.355 nan 8.250 nan 0.000 0.438 350 V N 1.112 121.003 119.914 -0.040 0.000 2.548 350 V HA -0.129 3.991 4.120 0.001 0.000 0.249 350 V C 2.243 178.357 176.094 0.032 0.000 1.055 350 V CA 1.472 63.774 62.300 0.003 0.000 1.065 350 V CB -0.337 31.487 31.823 0.002 0.000 0.681 350 V HN 0.192 nan 8.190 nan 0.000 0.462 351 S N -0.410 115.280 115.700 -0.018 0.000 2.368 351 S HA -0.180 4.291 4.470 0.001 0.000 0.224 351 S C 2.083 176.704 174.600 0.034 0.000 1.029 351 S CA 1.229 59.440 58.200 0.018 0.000 0.988 351 S CB -0.302 62.906 63.200 0.013 0.000 0.838 351 S HN 0.611 nan 8.310 nan 0.000 0.462 352 E N 0.728 120.896 120.200 -0.053 0.000 2.097 352 E HA -0.199 4.152 4.350 0.001 0.000 0.196 352 E C 1.762 178.379 176.600 0.029 0.000 1.000 352 E CA 1.408 57.783 56.400 -0.041 0.000 0.804 352 E CB -0.352 29.240 29.700 -0.180 0.000 0.740 352 E HN 0.636 nan 8.360 nan 0.000 0.454 353 Y N 0.576 120.854 120.300 -0.036 0.000 2.153 353 Y HA -0.061 4.489 4.550 0.000 0.000 0.289 353 Y C 2.312 178.288 175.900 0.127 0.000 1.127 353 Y CA 1.923 60.050 58.100 0.046 0.000 1.131 353 Y CB -0.789 37.680 38.460 0.016 0.000 0.995 353 Y HN 0.079 nan 8.280 nan 0.000 0.505 354 A N 1.618 124.539 122.820 0.169 0.000 1.884 354 A HA -0.333 3.987 4.320 0.001 0.000 0.219 354 A C 2.287 179.919 177.584 0.080 0.000 1.197 354 A CA 2.829 54.927 52.037 0.101 0.000 0.637 354 A CB -1.070 17.984 19.000 0.090 0.000 0.827 354 A HN 0.667 nan 8.150 nan 0.000 0.450 355 R N -0.446 120.069 120.500 0.026 0.000 2.153 355 R HA -0.210 4.131 4.340 0.001 0.000 0.252 355 R C 1.948 178.202 176.300 -0.078 0.000 1.158 355 R CA 1.943 58.025 56.100 -0.029 0.000 0.975 355 R CB -0.599 29.643 30.300 -0.097 0.000 0.871 355 R HN 0.481 nan 8.270 nan 0.000 0.450 356 R N -0.435 119.996 120.500 -0.116 0.000 2.341 356 R HA -0.048 4.293 4.340 0.001 0.000 0.213 356 R C 0.274 176.283 176.300 -0.484 0.000 1.082 356 R CA 0.978 56.900 56.100 -0.297 0.000 1.017 356 R CB -0.008 30.072 30.300 -0.366 0.000 0.860 356 R HN 0.303 nan 8.270 nan 0.000 0.473 357 F N -1.002 118.832 119.950 -0.192 0.000 2.815 357 F HA 0.313 4.840 4.527 0.000 0.000 0.323 357 F C 0.949 176.696 175.800 -0.089 0.000 1.151 357 F CA -0.454 57.460 58.000 -0.143 0.000 1.191 357 F CB 0.959 39.865 39.000 -0.158 0.000 1.069 357 F HN -0.015 nan 8.300 nan 0.000 0.514 358 G N 1.657 110.483 108.800 0.044 0.000 2.395 358 G HA2 -0.215 3.746 3.960 0.001 0.000 0.300 358 G HA3 -0.215 3.746 3.960 0.001 0.000 0.300 358 G C -0.444 174.487 174.900 0.053 0.000 0.998 358 G CA 0.325 45.443 45.100 0.030 0.000 1.046 358 G HN 0.228 nan 8.290 nan 0.000 0.513 359 V N 1.183 121.136 119.914 0.064 0.000 2.376 359 V HA 0.373 4.493 4.120 0.001 0.000 0.287 359 V C -1.649 174.472 176.094 0.046 0.000 1.015 359 V CA -1.635 60.697 62.300 0.053 0.000 0.834 359 V CB 2.122 33.975 31.823 0.050 0.000 1.001 359 V HN 0.196 nan 8.190 nan 0.000 0.428 360 P HA 0.215 nan 4.420 nan 0.000 0.270 360 P C -0.813 176.510 177.300 0.039 0.000 1.223 360 P CA -0.039 63.085 63.100 0.041 0.000 0.785 360 P CB 0.758 32.482 31.700 0.040 0.000 0.923 361 V N 3.623 123.560 119.914 0.038 0.000 2.540 361 V HA 0.360 4.480 4.120 0.001 0.000 0.302 361 V C 0.057 176.167 176.094 0.026 0.000 1.035 361 V CA -0.504 61.815 62.300 0.031 0.000 0.873 361 V CB 1.540 33.384 31.823 0.035 0.000 0.992 361 V HN 0.373 nan 8.190 nan 0.000 0.428 362 I N 4.171 124.748 120.570 0.012 0.000 2.321 362 I HA 0.515 4.686 4.170 0.001 0.000 0.291 362 I C 0.669 176.791 176.117 0.008 0.000 0.998 362 I CA -0.480 60.821 61.300 0.001 0.000 1.227 362 I CB 1.642 39.618 38.000 -0.039 0.000 1.368 362 I HN 0.676 nan 8.210 nan 0.000 0.466 363 A N 4.826 127.664 122.820 0.031 0.000 2.410 363 A HA 0.205 4.525 4.320 0.001 0.000 0.292 363 A C -0.348 177.265 177.584 0.048 0.000 1.232 363 A CA -0.133 51.943 52.037 0.064 0.000 0.893 363 A CB -0.180 18.887 19.000 0.111 0.000 1.131 363 A HN 0.718 nan 8.150 nan 0.000 0.530 364 D N 2.216 122.636 120.400 0.034 0.000 2.414 364 D HA 0.530 5.171 4.640 0.001 0.000 0.232 364 D C 0.215 176.534 176.300 0.033 0.000 1.070 364 D CA 1.163 55.171 54.000 0.013 0.000 0.839 364 D CB 0.651 41.435 40.800 -0.027 0.000 1.079 364 D HN 1.142 nan 8.370 nan 0.000 0.521 365 G N 1.742 110.570 108.800 0.047 0.000 2.770 365 G HA2 0.440 4.401 3.960 0.001 0.000 0.686 365 G HA3 0.440 4.401 3.960 0.001 0.000 0.686 365 G C 0.681 175.637 174.900 0.093 0.000 1.180 365 G CA -0.143 44.988 45.100 0.052 0.000 0.767 365 G HN 1.357 nan 8.290 nan 0.000 0.646 366 G N -0.435 108.408 108.800 0.072 0.000 2.176 366 G HA2 -0.121 3.839 3.960 0.001 0.000 0.253 366 G HA3 -0.121 3.839 3.960 0.001 0.000 0.253 366 G C 0.573 175.512 174.900 0.066 0.000 0.979 366 G CA 0.584 45.729 45.100 0.075 0.000 0.641 366 G HN 1.653 nan 8.290 nan 0.000 0.530 367 I N 1.424 122.048 120.570 0.090 0.000 2.505 367 I HA 0.190 4.361 4.170 0.001 0.000 0.287 367 I C 1.313 177.546 176.117 0.194 0.000 1.104 367 I CA 0.638 62.004 61.300 0.111 0.000 1.387 367 I CB 0.797 38.841 38.000 0.073 0.000 1.404 367 I HN 0.360 nan 8.210 nan 0.000 0.528 368 Q N 4.481 124.534 119.800 0.422 0.000 2.280 368 Q HA 0.122 4.463 4.340 0.001 0.000 0.244 368 Q C -0.377 175.726 176.000 0.172 0.000 0.847 368 Q CA 0.109 56.093 55.803 0.302 0.000 0.945 368 Q CB 0.722 29.663 28.738 0.338 0.000 1.115 368 Q HN 0.889 nan 8.270 nan 0.000 0.513 369 N N -3.361 115.377 118.700 0.063 0.000 3.046 369 N HA 0.098 4.838 4.740 0.001 0.000 0.243 369 N C 0.295 175.729 175.510 -0.127 0.000 1.452 369 N CA -0.588 52.428 53.050 -0.055 0.000 0.882 369 N CB 0.587 38.980 38.487 -0.157 0.000 1.425 369 N HN -0.254 nan 8.380 nan 0.000 0.517 370 V N 0.063 119.912 119.914 -0.108 0.000 2.277 370 V HA -0.234 3.886 4.120 0.001 0.000 0.253 370 V C 2.453 178.437 176.094 -0.183 0.000 1.067 370 V CA 2.638 64.844 62.300 -0.157 0.000 1.047 370 V CB -1.549 30.149 31.823 -0.208 0.000 0.649 370 V HN 0.889 nan 8.190 nan 0.000 0.447 371 G N -0.380 108.276 108.800 -0.239 0.000 2.553 371 G HA2 -0.340 3.620 3.960 0.001 0.000 0.218 371 G HA3 -0.340 3.620 3.960 0.001 0.000 0.218 371 G C 1.311 176.081 174.900 -0.216 0.000 1.195 371 G CA 1.432 46.384 45.100 -0.247 0.000 0.779 371 G HN 0.609 nan 8.290 nan 0.000 0.577 372 H N 0.729 119.667 119.070 -0.219 0.000 2.353 372 H HA -0.066 4.490 4.556 0.001 0.000 0.298 372 H C 2.731 177.774 175.328 -0.476 0.000 1.103 372 H CA 1.295 57.077 56.048 -0.444 0.000 1.293 372 H CB -0.606 28.912 29.762 -0.406 0.000 1.372 372 H HN 0.381 nan 8.280 nan 0.000 0.501 373 I N 0.574 121.054 120.570 -0.150 0.000 2.127 373 I HA -0.303 3.867 4.170 0.001 0.000 0.241 373 I C 2.841 178.892 176.117 -0.110 0.000 1.075 373 I CA 1.221 62.443 61.300 -0.129 0.000 1.334 373 I CB -0.508 37.440 38.000 -0.087 0.000 1.040 373 I HN 0.203 nan 8.210 nan 0.000 0.405 374 A N 1.016 123.778 122.820 -0.096 0.000 1.873 374 A HA -0.263 4.057 4.320 0.001 0.000 0.218 374 A C 2.325 179.909 177.584 0.002 0.000 1.193 374 A CA 2.008 54.016 52.037 -0.049 0.000 0.629 374 A CB -0.608 18.357 19.000 -0.059 0.000 0.826 374 A HN 0.365 nan 8.150 nan 0.000 0.447 375 K N -0.392 120.005 120.400 -0.005 0.000 2.063 375 K HA -0.119 4.201 4.320 0.001 0.000 0.208 375 K C 2.329 179.033 176.600 0.174 0.000 1.048 375 K CA 1.218 57.593 56.287 0.146 0.000 0.928 375 K CB -0.389 32.191 32.500 0.134 0.000 0.713 375 K HN 0.466 nan 8.250 nan 0.000 0.442 376 A N 1.585 124.396 122.820 -0.014 0.000 1.877 376 A HA -0.143 4.177 4.320 0.001 0.000 0.216 376 A C 2.166 179.802 177.584 0.086 0.000 1.186 376 A CA 1.318 53.412 52.037 0.095 0.000 0.620 376 A CB -0.668 18.307 19.000 -0.042 0.000 0.822 376 A HN 0.158 nan 8.150 nan 0.000 0.443 377 L N -0.872 120.374 121.223 0.039 0.000 2.056 377 L HA -0.159 4.181 4.340 0.001 0.000 0.207 377 L C 3.017 179.916 176.870 0.048 0.000 1.078 377 L CA 0.980 55.843 54.840 0.038 0.000 0.749 377 L CB -0.556 41.515 42.059 0.020 0.000 0.901 377 L HN 0.431 nan 8.230 nan 0.000 0.433 378 A N -0.108 122.759 122.820 0.077 0.000 2.070 378 A HA -0.100 4.220 4.320 0.001 0.000 0.220 378 A C 2.127 179.748 177.584 0.062 0.000 1.159 378 A CA 1.194 53.293 52.037 0.103 0.000 0.656 378 A CB -0.516 18.602 19.000 0.197 0.000 0.800 378 A HN 0.424 nan 8.150 nan 0.000 0.453 379 L N -2.242 118.999 121.223 0.029 0.000 2.558 379 L HA 0.244 4.584 4.340 0.001 0.000 0.225 379 L C 1.716 178.516 176.870 -0.117 0.000 1.128 379 L CA 0.656 55.439 54.840 -0.095 0.000 0.868 379 L CB 0.135 42.119 42.059 -0.126 0.000 1.006 379 L HN 0.552 nan 8.230 nan 0.000 0.454 380 G N -0.766 107.999 108.800 -0.058 0.000 2.551 380 G HA2 -0.126 3.835 3.960 0.001 0.000 0.186 380 G HA3 -0.126 3.835 3.960 0.001 0.000 0.186 380 G C 0.374 175.302 174.900 0.047 0.000 1.002 380 G CA -0.206 44.890 45.100 -0.008 0.000 0.723 380 G HN 0.306 nan 8.290 nan 0.000 0.481 381 A N 0.857 123.701 122.820 0.040 0.000 2.462 381 A HA 0.690 5.010 4.320 0.001 0.000 0.243 381 A C 1.466 179.078 177.584 0.046 0.000 1.076 381 A CA 1.289 53.354 52.037 0.047 0.000 0.773 381 A CB 0.601 19.634 19.000 0.055 0.000 1.010 381 A HN 0.749 nan 8.150 nan 0.000 0.493 382 S N 0.021 115.747 115.700 0.044 0.000 2.404 382 S HA 0.062 4.532 4.470 0.001 0.000 0.223 382 S C 1.024 175.643 174.600 0.032 0.000 1.040 382 S CA 1.278 59.502 58.200 0.040 0.000 0.957 382 S CB -0.052 63.173 63.200 0.041 0.000 0.826 382 S HN 1.049 nan 8.310 nan 0.000 0.491 383 T N -1.045 113.527 114.554 0.030 0.000 2.864 383 T HA 0.752 5.102 4.350 0.001 0.000 0.289 383 T C -1.034 173.678 174.700 0.020 0.000 1.082 383 T CA -0.761 61.354 62.100 0.025 0.000 1.009 383 T CB 1.873 70.760 68.868 0.030 0.000 1.234 383 T HN -0.139 nan 8.240 nan 0.000 0.526 384 V N 1.249 121.171 119.914 0.014 0.000 2.612 384 V HA 0.482 4.603 4.120 0.001 0.000 0.301 384 V C -0.616 175.482 176.094 0.007 0.000 1.059 384 V CA -0.790 61.517 62.300 0.012 0.000 0.886 384 V CB 1.792 33.618 31.823 0.005 0.000 1.007 384 V HN 1.036 nan 8.190 nan 0.000 0.426 385 M N 5.817 125.414 119.600 -0.005 0.000 2.188 385 M HA 0.673 5.153 4.480 0.001 0.000 0.357 385 M C -0.929 175.376 176.300 0.007 0.000 1.204 385 M CA -0.053 55.234 55.300 -0.021 0.000 1.095 385 M CB 1.110 33.663 32.600 -0.079 0.000 1.604 385 M HN 0.656 nan 8.290 nan 0.000 0.464 386 M N 3.518 123.130 119.600 0.020 0.000 2.393 386 M HA 0.485 4.966 4.480 0.001 0.000 0.316 386 M C 0.315 176.633 176.300 0.030 0.000 1.087 386 M CA -0.482 54.842 55.300 0.041 0.000 0.937 386 M CB 2.146 34.790 32.600 0.073 0.000 1.668 386 M HN 0.865 nan 8.290 nan 0.000 0.438 387 G N 0.103 108.920 108.800 0.028 0.000 2.583 387 G HA2 0.065 4.025 3.960 0.001 0.000 0.214 387 G HA3 0.065 4.025 3.960 0.001 0.000 0.214 387 G C 1.207 176.115 174.900 0.014 0.000 2.072 387 G CA 0.424 45.534 45.100 0.016 0.000 0.745 387 G HN 0.709 nan 8.290 nan 0.000 0.762 388 S N 0.651 116.359 115.700 0.014 0.000 2.392 388 S HA -0.194 4.276 4.470 0.001 0.000 0.232 388 S C 2.312 176.914 174.600 0.003 0.000 1.041 388 S CA 1.687 59.891 58.200 0.006 0.000 1.026 388 S CB -0.559 62.650 63.200 0.015 0.000 0.845 388 S HN 0.316 nan 8.310 nan 0.000 0.465 389 L N 0.616 121.860 121.223 0.034 0.000 2.349 389 L HA 0.167 4.507 4.340 0.001 0.000 0.220 389 L C 1.891 178.745 176.870 -0.027 0.000 1.130 389 L CA 1.357 56.227 54.840 0.049 0.000 0.791 389 L CB -0.445 41.696 42.059 0.137 0.000 0.918 389 L HN 0.406 nan 8.230 nan 0.000 0.444 390 L N -2.257 118.946 121.223 -0.032 0.000 2.500 390 L HA 0.206 4.546 4.340 0.001 0.000 0.219 390 L C 2.480 179.284 176.870 -0.110 0.000 1.057 390 L CA 0.600 55.386 54.840 -0.091 0.000 0.854 390 L CB -0.683 41.371 42.059 -0.007 0.000 1.078 390 L HN 0.166 nan 8.230 nan 0.000 0.480 391 A N 1.003 123.783 122.820 -0.067 0.000 2.038 391 A HA -0.335 3.986 4.320 0.001 0.000 0.224 391 A C 2.124 179.659 177.584 -0.081 0.000 1.190 391 A CA 2.220 54.221 52.037 -0.061 0.000 0.668 391 A CB -0.637 18.336 19.000 -0.044 0.000 0.820 391 A HN 0.427 nan 8.150 nan 0.000 0.474 392 A N -0.677 122.073 122.820 -0.118 0.000 2.302 392 A HA 0.396 4.716 4.320 0.001 0.000 0.219 392 A C 1.215 178.704 177.584 -0.159 0.000 1.243 392 A CA 0.950 52.910 52.037 -0.129 0.000 0.856 392 A CB -0.969 17.948 19.000 -0.139 0.000 0.893 392 A HN 0.701 nan 8.150 nan 0.000 0.491 393 T N -4.590 109.866 114.554 -0.163 0.000 2.862 393 T HA 0.336 4.686 4.350 0.001 0.000 0.276 393 T C 1.178 175.837 174.700 -0.068 0.000 0.974 393 T CA 0.410 62.425 62.100 -0.143 0.000 0.966 393 T CB 0.805 69.595 68.868 -0.131 0.000 1.072 393 T HN 0.049 nan 8.240 nan 0.000 0.538 394 T N 0.684 115.218 114.554 -0.034 0.000 2.777 394 T HA -0.047 4.303 4.350 0.001 0.000 0.266 394 T C 1.563 176.265 174.700 0.004 0.000 1.040 394 T CA 1.369 63.464 62.100 -0.008 0.000 1.141 394 T CB -0.454 68.421 68.868 0.013 0.000 0.868 394 T HN 0.698 nan 8.240 nan 0.000 0.444 395 E N 1.402 121.610 120.200 0.013 0.000 2.501 395 E HA 0.162 4.512 4.350 0.001 0.000 0.203 395 E C 0.600 177.204 176.600 0.006 0.000 1.072 395 E CA 0.070 56.481 56.400 0.019 0.000 0.885 395 E CB -0.387 29.328 29.700 0.025 0.000 0.813 395 E HN 0.517 nan 8.360 nan 0.000 0.556 396 A N 2.158 124.973 122.820 -0.009 0.000 2.363 396 A HA 0.318 4.638 4.320 0.001 0.000 0.270 396 A C -2.137 175.443 177.584 -0.006 0.000 1.121 396 A CA -1.500 50.529 52.037 -0.015 0.000 0.800 396 A CB 0.048 19.028 19.000 -0.034 0.000 1.052 396 A HN -0.055 nan 8.150 nan 0.000 0.493 397 P HA 0.312 nan 4.420 nan 0.000 0.260 397 P C 0.234 177.532 177.300 -0.004 0.000 1.207 397 P CA 0.823 63.928 63.100 0.008 0.000 0.780 397 P CB 0.514 32.218 31.700 0.006 0.000 0.789 398 G N 2.785 111.587 108.800 0.003 0.000 2.342 398 G HA2 0.129 4.089 3.960 0.001 0.000 0.297 398 G HA3 0.129 4.089 3.960 0.001 0.000 0.297 398 G C 0.215 175.116 174.900 0.002 0.000 1.313 398 G CA -0.561 44.537 45.100 -0.003 0.000 0.830 398 G HN 0.233 nan 8.290 nan 0.000 0.506 399 E N -1.091 119.108 120.200 -0.002 0.000 2.063 399 E HA 0.159 4.509 4.350 0.001 0.000 0.221 399 E C 1.245 177.848 176.600 0.004 0.000 1.052 399 E CA 3.585 59.985 56.400 0.000 0.000 0.891 399 E CB -0.396 29.302 29.700 -0.003 0.000 0.792 399 E HN 1.634 nan 8.360 nan 0.000 0.482 450 K N 0.207 120.538 120.400 -0.114 0.000 2.414 450 K HA 0.336 4.656 4.320 0.001 0.000 0.266 450 K C 0.785 177.333 176.600 -0.087 0.000 0.976 450 K CA 0.355 56.565 56.287 -0.127 0.000 0.884 450 K CB -0.173 32.155 32.500 -0.288 0.000 0.959 450 K HN 0.385 nan 8.250 nan 0.000 0.531 451 G N 0.029 108.800 108.800 -0.049 0.000 3.329 451 G HA2 0.118 4.079 3.960 0.001 0.000 0.180 451 G HA3 0.118 4.079 3.960 0.001 0.000 0.180 451 G C -0.644 174.259 174.900 0.005 0.000 1.640 451 G CA -0.406 44.690 45.100 -0.007 0.000 1.018 451 G HN 0.578 nan 8.290 nan 0.000 0.581 452 S N -0.599 115.137 115.700 0.060 0.000 2.554 452 S HA 0.295 4.765 4.470 0.001 0.000 0.278 452 S C 1.745 176.425 174.600 0.135 0.000 1.242 452 S CA -0.833 57.424 58.200 0.095 0.000 1.051 452 S CB 0.578 63.858 63.200 0.134 0.000 0.986 452 S HN 0.267 nan 8.310 nan 0.000 0.502 453 I N 3.951 124.586 120.570 0.108 0.000 2.229 453 I HA -0.207 3.963 4.170 0.001 0.000 0.250 453 I C 2.066 178.219 176.117 0.060 0.000 1.096 453 I CA 1.736 63.088 61.300 0.088 0.000 1.358 453 I CB -1.364 36.630 38.000 -0.010 0.000 1.047 453 I HN 0.804 nan 8.210 nan 0.000 0.422 454 H N 0.566 119.680 119.070 0.072 0.000 2.557 454 H HA -0.108 4.448 4.556 0.001 0.000 0.287 454 H C 1.673 177.067 175.328 0.110 0.000 1.043 454 H CA 0.852 56.948 56.048 0.079 0.000 1.226 454 H CB 0.441 30.248 29.762 0.076 0.000 1.361 454 H HN 0.344 nan 8.280 nan 0.000 0.592 455 K N -0.923 119.601 120.400 0.205 0.000 2.424 455 K HA 0.012 4.333 4.320 0.001 0.000 0.198 455 K C 1.720 178.447 176.600 0.211 0.000 1.190 455 K CA -0.130 56.265 56.287 0.181 0.000 0.935 455 K CB -0.341 32.251 32.500 0.155 0.000 1.087 455 K HN 0.072 nan 8.250 nan 0.000 0.524 456 F N 2.428 122.417 119.950 0.064 0.000 2.074 456 F HA -0.149 4.379 4.527 0.001 0.000 0.293 456 F C 2.130 178.007 175.800 0.130 0.000 1.116 456 F CA 1.027 59.079 58.000 0.086 0.000 1.212 456 F CB -0.499 38.528 39.000 0.045 0.000 0.998 456 F HN -0.318 nan 8.300 nan 0.000 0.471 457 V N 1.422 121.412 119.914 0.126 0.000 2.278 457 V HA -0.309 3.811 4.120 0.001 0.000 0.251 457 V C -0.404 175.662 176.094 -0.047 0.000 1.062 457 V CA 2.702 64.998 62.300 -0.007 0.000 1.038 457 V CB -1.916 29.898 31.823 -0.014 0.000 0.646 457 V HN 0.238 nan 8.190 nan 0.000 0.447 458 P HA -0.204 nan 4.420 nan 0.000 0.215 458 P C 1.609 178.900 177.300 -0.015 0.000 1.153 458 P CA 1.539 64.646 63.100 0.012 0.000 0.853 458 P CB -0.152 31.586 31.700 0.063 0.000 0.788 459 Y N 0.477 120.697 120.300 -0.133 0.000 2.165 459 Y HA -0.198 4.353 4.550 0.001 0.000 0.286 459 Y C 1.936 177.701 175.900 -0.226 0.000 1.155 459 Y CA 1.511 59.506 58.100 -0.175 0.000 1.164 459 Y CB -1.112 37.205 38.460 -0.239 0.000 0.978 459 Y HN -0.193 nan 8.280 nan 0.000 0.513 460 L N -0.311 120.657 121.223 -0.425 0.000 2.056 460 L HA -0.217 4.124 4.340 0.001 0.000 0.207 460 L C 2.436 179.116 176.870 -0.318 0.000 1.078 460 L CA 1.463 56.025 54.840 -0.463 0.000 0.749 460 L CB -0.577 41.287 42.059 -0.325 0.000 0.901 460 L HN 0.289 nan 8.230 nan 0.000 0.433 461 I N -0.081 120.366 120.570 -0.205 0.000 2.252 461 I HA -0.253 3.917 4.170 0.001 0.000 0.245 461 I C 2.855 178.890 176.117 -0.136 0.000 1.102 461 I CA 1.060 62.281 61.300 -0.131 0.000 1.385 461 I CB -0.574 37.382 38.000 -0.075 0.000 1.064 461 I HN 0.183 nan 8.210 nan 0.000 0.414 462 A N 1.374 124.094 122.820 -0.166 0.000 1.858 462 A HA -0.137 4.183 4.320 0.001 0.000 0.216 462 A C 2.479 179.970 177.584 -0.154 0.000 1.190 462 A CA 2.058 54.012 52.037 -0.138 0.000 0.617 462 A CB -1.539 17.384 19.000 -0.129 0.000 0.827 462 A HN 0.442 nan 8.150 nan 0.000 0.443 463 G N 0.138 108.753 108.800 -0.308 0.000 2.459 463 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 463 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 463 G C 1.513 176.319 174.900 -0.155 0.000 1.183 463 G CA 1.216 46.155 45.100 -0.268 0.000 0.776 463 G HN 0.498 nan 8.290 nan 0.000 0.552 464 I N 0.496 120.967 120.570 -0.165 0.000 2.335 464 I HA -0.255 3.916 4.170 0.001 0.000 0.251 464 I C 2.989 179.081 176.117 -0.042 0.000 1.129 464 I CA 1.272 62.511 61.300 -0.102 0.000 1.402 464 I CB -0.330 37.613 38.000 -0.094 0.000 1.069 464 I HN 0.313 nan 8.210 nan 0.000 0.424 465 Q N -0.396 119.391 119.800 -0.021 0.000 2.049 465 Q HA -0.224 4.116 4.340 0.001 0.000 0.198 465 Q C 2.179 178.226 176.000 0.079 0.000 0.971 465 Q CA 1.424 57.245 55.803 0.030 0.000 0.833 465 Q CB -0.378 28.374 28.738 0.023 0.000 0.896 465 Q HN 0.630 nan 8.270 nan 0.000 0.434 466 H N -0.060 118.968 119.070 -0.070 0.000 2.352 466 H HA -0.146 4.411 4.556 0.001 0.000 0.299 466 H C 2.363 177.648 175.328 -0.073 0.000 1.097 466 H CA 1.182 57.182 56.048 -0.080 0.000 1.311 466 H CB 0.237 29.939 29.762 -0.099 0.000 1.377 466 H HN 0.164 nan 8.280 nan 0.000 0.504 467 S N -0.467 115.206 115.700 -0.045 0.000 2.359 467 S HA -0.193 4.278 4.470 0.001 0.000 0.224 467 S C 2.446 177.026 174.600 -0.033 0.000 1.035 467 S CA 1.381 59.515 58.200 -0.110 0.000 1.018 467 S CB -0.688 62.449 63.200 -0.105 0.000 0.876 467 S HN 0.628 nan 8.310 nan 0.000 0.448 468 C N 1.211 120.523 119.300 0.020 0.000 2.425 468 C HA -0.054 4.406 4.460 0.001 0.000 0.277 468 C C 2.785 177.842 174.990 0.113 0.000 1.280 468 C CA 1.151 60.209 59.018 0.066 0.000 1.744 468 C CB -1.498 26.295 27.740 0.088 0.000 1.989 468 C HN 0.748 nan 8.230 nan 0.000 0.491 469 Q N 0.893 120.750 119.800 0.096 0.000 2.020 469 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 469 Q C 1.708 177.666 176.000 -0.069 0.000 0.982 469 Q CA 1.910 57.696 55.803 -0.028 0.000 0.838 469 Q CB -0.251 28.419 28.738 -0.114 0.000 0.899 469 Q HN 0.558 nan 8.270 nan 0.000 0.423 470 D N 0.692 121.073 120.400 -0.032 0.000 2.172 470 D HA -0.213 4.427 4.640 0.001 0.000 0.196 470 D C 1.815 178.094 176.300 -0.034 0.000 0.999 470 D CA 1.596 55.565 54.000 -0.053 0.000 0.856 470 D CB -0.298 40.445 40.800 -0.095 0.000 0.934 470 D HN 0.572 nan 8.370 nan 0.000 0.453 471 I N -2.410 118.154 120.570 -0.010 0.000 3.419 471 I HA 0.153 4.323 4.170 0.001 0.000 0.286 471 I C 1.294 177.443 176.117 0.052 0.000 1.268 471 I CA 1.116 62.418 61.300 0.004 0.000 1.414 471 I CB 0.353 38.348 38.000 -0.009 0.000 1.074 471 I HN 0.091 nan 8.210 nan 0.000 0.457 472 G N 1.454 110.308 108.800 0.091 0.000 2.176 472 G HA2 -0.201 3.759 3.960 0.001 0.000 0.232 472 G HA3 -0.201 3.759 3.960 0.001 0.000 0.232 472 G C 0.348 175.432 174.900 0.307 0.000 0.986 472 G CA 0.029 45.247 45.100 0.196 0.000 0.643 472 G HN 0.888 nan 8.290 nan 0.000 0.522 473 A N -0.300 122.655 122.820 0.226 0.000 2.316 473 A HA 0.805 5.125 4.320 0.001 0.000 0.284 473 A C 0.997 178.634 177.584 0.089 0.000 1.115 473 A CA 0.742 52.851 52.037 0.120 0.000 0.812 473 A CB 0.903 19.946 19.000 0.072 0.000 1.064 473 A HN 0.294 nan 8.150 nan 0.000 0.489 474 K N -0.055 120.265 120.400 -0.132 0.000 2.348 474 K HA 0.110 4.431 4.320 0.001 0.000 0.194 474 K C 0.320 176.854 176.600 -0.109 0.000 1.052 474 K CA 0.950 57.069 56.287 -0.279 0.000 1.004 474 K CB 0.173 32.361 32.500 -0.519 0.000 0.873 474 K HN 0.842 nan 8.250 nan 0.000 0.523 475 S N -1.475 114.191 115.700 -0.057 0.000 2.627 475 S HA 0.302 4.772 4.470 0.001 0.000 0.283 475 S C 0.761 175.362 174.600 0.002 0.000 1.127 475 S CA -0.934 57.251 58.200 -0.026 0.000 0.863 475 S CB 1.075 64.256 63.200 -0.032 0.000 1.121 475 S HN 0.035 nan 8.310 nan 0.000 0.479 476 L N 0.646 121.875 121.223 0.010 0.000 2.201 476 L HA -0.048 4.293 4.340 0.001 0.000 0.212 476 L C 2.548 179.436 176.870 0.030 0.000 1.105 476 L CA 1.288 56.141 54.840 0.021 0.000 0.775 476 L CB -1.084 40.987 42.059 0.019 0.000 0.913 476 L HN 0.809 nan 8.230 nan 0.000 0.440 477 T N -1.005 113.564 114.554 0.025 0.000 2.788 477 T HA -0.270 4.081 4.350 0.001 0.000 0.268 477 T C 1.867 176.593 174.700 0.045 0.000 1.044 477 T CA 1.360 63.481 62.100 0.036 0.000 1.139 477 T CB -0.098 68.783 68.868 0.022 0.000 0.867 477 T HN 0.366 nan 8.240 nan 0.000 0.454 478 Q N 0.289 120.105 119.800 0.027 0.000 2.172 478 Q HA -0.059 4.281 4.340 0.001 0.000 0.200 478 Q C 2.307 178.334 176.000 0.045 0.000 0.964 478 Q CA 0.869 56.690 55.803 0.029 0.000 0.855 478 Q CB -0.050 28.689 28.738 0.002 0.000 0.918 478 Q HN 0.343 nan 8.270 nan 0.000 0.444 479 V N 1.150 121.089 119.914 0.043 0.000 2.358 479 V HA -0.259 3.861 4.120 0.001 0.000 0.246 479 V C 2.261 178.383 176.094 0.048 0.000 1.047 479 V CA 2.010 64.337 62.300 0.045 0.000 1.035 479 V CB -0.479 31.370 31.823 0.043 0.000 0.658 479 V HN 0.363 nan 8.190 nan 0.000 0.452 480 R N 0.253 120.787 120.500 0.057 0.000 2.115 480 R HA -0.037 4.304 4.340 0.001 0.000 0.230 480 R C 2.375 178.765 176.300 0.150 0.000 1.111 480 R CA 1.272 57.404 56.100 0.053 0.000 0.976 480 R CB -0.527 29.848 30.300 0.124 0.000 0.870 480 R HN 0.527 nan 8.270 nan 0.000 0.445 481 A N 1.307 124.222 122.820 0.158 0.000 1.898 481 A HA -0.123 4.197 4.320 0.001 0.000 0.216 481 A C 2.169 179.846 177.584 0.156 0.000 1.181 481 A CA 1.170 53.317 52.037 0.182 0.000 0.620 481 A CB -0.336 18.729 19.000 0.108 0.000 0.819 481 A HN 0.159 nan 8.150 nan 0.000 0.442 482 M N -0.954 118.707 119.600 0.100 0.000 2.175 482 M HA -0.136 4.344 4.480 0.001 0.000 0.264 482 M C 2.237 178.593 176.300 0.093 0.000 1.063 482 M CA 2.006 57.355 55.300 0.083 0.000 1.119 482 M CB -0.406 32.227 32.600 0.054 0.000 1.377 482 M HN 0.649 nan 8.290 nan 0.000 0.415 483 M N -1.831 117.812 119.600 0.072 0.000 2.506 483 M HA -0.002 4.479 4.480 0.001 0.000 0.260 483 M C 0.960 177.310 176.300 0.084 0.000 1.104 483 M CA 1.665 57.024 55.300 0.099 0.000 1.112 483 M CB -0.682 31.998 32.600 0.134 0.000 1.401 483 M HN 0.018 nan 8.290 nan 0.000 0.473 484 Y N 0.594 120.978 120.300 0.140 0.000 2.517 484 Y HA 0.229 4.779 4.550 0.000 0.000 0.281 484 Y C 2.625 178.583 175.900 0.097 0.000 1.125 484 Y CA 0.618 58.790 58.100 0.120 0.000 1.283 484 Y CB -0.290 38.215 38.460 0.076 0.000 1.042 484 Y HN 0.591 nan 8.280 nan 0.000 0.547 485 S N -2.108 113.730 115.700 0.230 0.000 2.483 485 S HA 0.320 4.791 4.470 0.001 0.000 0.221 485 S C 1.793 176.468 174.600 0.126 0.000 1.030 485 S CA 0.565 58.856 58.200 0.151 0.000 0.925 485 S CB 0.171 63.440 63.200 0.115 0.000 0.795 485 S HN 0.450 nan 8.310 nan 0.000 0.511 486 G N 1.133 110.012 108.800 0.132 0.000 2.148 486 G HA2 -0.234 3.727 3.960 0.001 0.000 0.203 486 G HA3 -0.234 3.727 3.960 0.001 0.000 0.203 486 G C 0.403 175.351 174.900 0.080 0.000 0.993 486 G CA 0.380 45.548 45.100 0.114 0.000 0.661 486 G HN 0.550 nan 8.290 nan 0.000 0.518 487 E N -0.950 119.292 120.200 0.069 0.000 2.230 487 E HA 0.191 4.542 4.350 0.001 0.000 0.192 487 E C 1.032 177.638 176.600 0.010 0.000 0.987 487 E CA -0.103 56.321 56.400 0.040 0.000 0.841 487 E CB 0.066 29.792 29.700 0.043 0.000 0.783 487 E HN 0.440 nan 8.360 nan 0.000 0.481 488 L N 2.209 123.435 121.223 0.004 0.000 2.290 488 L HA 0.244 4.584 4.340 0.001 0.000 0.284 488 L C -0.959 175.806 176.870 -0.175 0.000 1.078 488 L CA -0.140 54.640 54.840 -0.100 0.000 0.815 488 L CB 0.962 42.967 42.059 -0.090 0.000 1.162 488 L HN -0.224 nan 8.230 nan 0.000 0.435 489 K N 4.878 125.106 120.400 -0.287 0.000 2.203 489 K HA 0.524 4.844 4.320 0.001 0.000 0.251 489 K C -0.927 175.384 176.600 -0.481 0.000 0.944 489 K CA -0.301 55.850 56.287 -0.227 0.000 0.829 489 K CB 1.665 34.113 32.500 -0.085 0.000 1.125 489 K HN 0.375 nan 8.250 nan 0.000 0.430 490 F N 0.221 120.206 119.950 0.059 0.000 2.697 490 F HA 0.509 5.036 4.527 0.000 0.000 0.386 490 F C 0.017 175.860 175.800 0.071 0.000 1.154 490 F CA -0.827 57.233 58.000 0.101 0.000 1.108 490 F CB 1.287 40.330 39.000 0.071 0.000 1.429 490 F HN 0.477 nan 8.300 nan 0.000 0.509 491 E N 0.595 120.992 120.200 0.329 0.000 2.677 491 E HA 0.214 4.564 4.350 0.001 0.000 0.330 491 E C -1.803 174.916 176.600 0.198 0.000 0.933 491 E CA -0.691 55.818 56.400 0.182 0.000 0.797 491 E CB 0.960 30.731 29.700 0.118 0.000 1.326 491 E HN 0.477 nan 8.360 nan 0.000 0.404 492 K N 2.978 123.448 120.400 0.116 0.000 2.355 492 K HA 0.336 4.657 4.320 0.001 0.000 0.270 492 K C -0.034 176.617 176.600 0.085 0.000 1.003 492 K CA -0.062 56.286 56.287 0.103 0.000 0.957 492 K CB 0.751 33.259 32.500 0.014 0.000 0.939 492 K HN 0.348 nan 8.250 nan 0.000 0.482 493 R N 0.570 121.121 120.500 0.084 0.000 2.778 493 R HA 0.251 4.591 4.340 0.001 0.000 0.277 493 R C -0.084 176.238 176.300 0.038 0.000 0.977 493 R CA -0.784 55.349 56.100 0.055 0.000 0.950 493 R CB 1.726 32.057 30.300 0.053 0.000 1.165 493 R HN 0.749 nan 8.270 nan 0.000 0.474 494 T N -1.625 112.945 114.554 0.026 0.000 2.874 494 T HA 0.107 4.457 4.350 0.001 0.000 0.281 494 T C 1.229 175.940 174.700 0.019 0.000 0.994 494 T CA -0.670 61.441 62.100 0.018 0.000 1.015 494 T CB 1.410 70.285 68.868 0.012 0.000 1.028 494 T HN 0.419 nan 8.240 nan 0.000 0.523 495 S N 1.505 117.214 115.700 0.015 0.000 2.369 495 S HA -0.173 4.297 4.470 0.001 0.000 0.225 495 S C 2.427 177.036 174.600 0.015 0.000 1.043 495 S CA 1.822 60.031 58.200 0.015 0.000 1.074 495 S CB -0.960 62.246 63.200 0.011 0.000 0.962 495 S HN 0.799 nan 8.310 nan 0.000 0.433 496 S N 1.747 117.454 115.700 0.012 0.000 2.359 496 S HA -0.201 4.270 4.470 0.001 0.000 0.223 496 S C 2.319 176.927 174.600 0.013 0.000 1.039 496 S CA 1.135 59.342 58.200 0.011 0.000 1.042 496 S CB -0.878 62.327 63.200 0.009 0.000 0.915 496 S HN 0.643 nan 8.310 nan 0.000 0.439 497 A N 1.306 124.135 122.820 0.014 0.000 1.929 497 A HA -0.350 3.971 4.320 0.001 0.000 0.221 497 A C 2.112 179.705 177.584 0.016 0.000 1.211 497 A CA 2.295 54.342 52.037 0.016 0.000 0.657 497 A CB -0.960 18.053 19.000 0.021 0.000 0.827 497 A HN 0.625 nan 8.150 nan 0.000 0.462 498 Q N -1.380 118.431 119.800 0.019 0.000 1.967 498 Q HA 0.248 4.589 4.340 0.001 0.000 0.202 498 Q C 0.845 176.854 176.000 0.016 0.000 0.985 498 Q CA 1.840 57.654 55.803 0.019 0.000 0.839 498 Q CB -0.328 28.425 28.738 0.025 0.000 0.906 498 Q HN 1.061 nan 8.270 nan 0.000 0.423 499 V N 0.000 119.923 119.914 0.015 0.000 2.409 499 V HA 0.000 4.120 4.120 0.001 0.000 0.244 499 V CA 0.000 nan 62.300 nan 0.000 1.235 499 V CB 0.000 nan 31.823 nan 0.000 1.184 499 V HN 0.000 nan 8.190 nan 0.000 0.556