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 1r0l_1_A DATA FIRST_RESID 3 DATA SEQUENCE QPRTVTVLGA TGSIGHSTLD LIERNLDRYQ VIALTANRNV KDLADAAKRT DATA SEQUENCE NAKRAVIADP SLYNDLKEAL AGSSVEAAAG ADALVEAAMM GADWTMAAII DATA SEQUENCE GCAGLKATLA AIRKGKTVAL ANKESLVSAG GLMIDAVREH GTTLLPVDSE DATA SEQUENCE HNAIFQCFPH HNRDYVRRII ITASGGPFRT TSLAEMATVT PERAVQXXXX DATA SEQUENCE XXGAKISIDS ATMMNKGLEL IEAFHLFQIP LEKFEILVHP QSVIHSMVEY DATA SEQUENCE LDGSILAQIG SPDMRTPIGH TLAWPKRMET PAESLDFTKL RQMDFEAPDY DATA SEQUENCE ERFPALTLAM ESIKSGGARP AVMNAANEIA VAAFLDKKIG FLDIAKIVEK DATA SEQUENCE TLDHYTPATP SSLEDVFAID NEARIQAAAL MESL 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.960 176.000 -0.067 0.000 1.003 3 Q CA 0.000 55.776 55.803 -0.046 0.000 1.022 3 Q CB 0.000 28.707 28.738 -0.052 0.000 1.108 4 P HA 0.227 nan 4.420 nan 0.000 0.271 4 P C -1.145 176.145 177.300 -0.015 0.000 1.220 4 P CA 0.017 63.071 63.100 -0.076 0.000 0.768 4 P CB 0.608 32.285 31.700 -0.038 0.000 0.848 5 R N 2.485 122.984 120.500 -0.001 0.000 2.265 5 R HA 0.248 4.588 4.340 -0.000 0.000 0.314 5 R C -0.059 176.360 176.300 0.198 0.000 1.053 5 R CA -0.381 55.786 56.100 0.112 0.000 0.931 5 R CB 0.429 30.818 30.300 0.149 0.000 1.024 5 R HN 0.552 nan 8.270 nan 0.000 0.457 6 T N 0.751 115.397 114.554 0.155 0.000 2.888 6 T HA 0.242 4.591 4.350 -0.000 0.000 0.301 6 T C 0.112 174.933 174.700 0.202 0.000 1.001 6 T CA -0.645 61.545 62.100 0.150 0.000 1.147 6 T CB 0.959 69.891 68.868 0.106 0.000 0.931 6 T HN 0.209 nan 8.240 nan 0.000 0.541 7 V N 3.260 123.286 119.914 0.186 0.000 2.656 7 V HA 0.624 4.744 4.120 -0.000 0.000 0.307 7 V C 0.190 176.377 176.094 0.155 0.000 1.051 7 V CA -0.797 61.640 62.300 0.229 0.000 0.893 7 V CB 2.441 34.361 31.823 0.161 0.000 0.999 7 V HN 1.141 nan 8.190 nan 0.000 0.426 8 T N 3.312 117.950 114.554 0.140 0.000 2.861 8 T HA 0.657 5.007 4.350 -0.000 0.000 0.287 8 T C -0.938 173.772 174.700 0.016 0.000 1.003 8 T CA -0.396 61.734 62.100 0.051 0.000 0.977 8 T CB 1.823 70.692 68.868 0.003 0.000 0.996 8 T HN 0.377 nan 8.240 nan 0.000 0.448 9 V N 4.734 124.655 119.914 0.011 0.000 2.409 9 V HA 0.417 4.536 4.120 -0.000 0.000 0.290 9 V C -0.416 175.663 176.094 -0.025 0.000 1.017 9 V CA -0.837 61.457 62.300 -0.010 0.000 0.841 9 V CB 1.399 33.242 31.823 0.035 0.000 1.003 9 V HN 0.723 nan 8.190 nan 0.000 0.426 10 L N 4.740 125.931 121.223 -0.053 0.000 2.268 10 L HA 0.651 4.991 4.340 -0.000 0.000 0.289 10 L C 1.081 177.933 176.870 -0.030 0.000 1.064 10 L CA -0.015 54.799 54.840 -0.043 0.000 0.824 10 L CB 0.727 42.750 42.059 -0.061 0.000 1.202 10 L HN 0.969 nan 8.230 nan 0.000 0.433 11 G N 2.516 111.308 108.800 -0.014 0.000 2.414 11 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.256 11 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.256 11 G C 0.649 175.555 174.900 0.010 0.000 1.128 11 G CA -0.041 45.057 45.100 -0.004 0.000 0.944 11 G HN 0.837 nan 8.290 nan 0.000 0.500 12 A N -0.286 122.543 122.820 0.014 0.000 2.209 12 A HA 0.357 4.677 4.320 -0.000 0.000 0.212 12 A C 2.295 179.909 177.584 0.051 0.000 1.158 12 A CA 2.274 54.328 52.037 0.028 0.000 0.742 12 A CB -0.244 18.768 19.000 0.020 0.000 0.790 12 A HN 1.629 nan 8.150 nan 0.000 0.472 13 T N -3.764 110.817 114.554 0.045 0.000 3.069 13 T HA 0.416 4.766 4.350 -0.000 0.000 0.252 13 T C 0.977 175.708 174.700 0.052 0.000 1.053 13 T CA 0.372 62.507 62.100 0.059 0.000 0.964 13 T CB 0.224 69.112 68.868 0.034 0.000 1.005 13 T HN 0.301 nan 8.240 nan 0.000 0.532 14 G N 1.490 110.318 108.800 0.047 0.000 2.543 14 G HA2 0.414 4.374 3.960 -0.000 0.000 0.267 14 G HA3 0.414 4.374 3.960 -0.000 0.000 0.267 14 G C 1.169 176.100 174.900 0.052 0.000 1.406 14 G CA 0.035 45.153 45.100 0.031 0.000 1.048 14 G HN 0.289 nan 8.290 nan 0.000 0.548 15 S N -0.831 114.888 115.700 0.031 0.000 2.368 15 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 15 S C 2.234 176.887 174.600 0.087 0.000 1.029 15 S CA 0.863 59.089 58.200 0.044 0.000 0.988 15 S CB -0.250 62.959 63.200 0.015 0.000 0.838 15 S HN 0.325 nan 8.310 nan 0.000 0.462 16 I N 2.848 123.455 120.570 0.061 0.000 2.179 16 I HA -0.062 4.108 4.170 -0.000 0.000 0.242 16 I C 2.878 179.041 176.117 0.076 0.000 1.088 16 I CA 1.582 62.919 61.300 0.061 0.000 1.357 16 I CB -2.135 35.888 38.000 0.038 0.000 1.051 16 I HN 0.489 nan 8.210 nan 0.000 0.409 17 G N -0.454 108.390 108.800 0.073 0.000 2.418 17 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 17 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 17 G C 1.631 176.580 174.900 0.082 0.000 1.158 17 G CA 1.141 46.283 45.100 0.069 0.000 0.771 17 G HN 0.409 nan 8.290 nan 0.000 0.545 18 H N 0.989 120.068 119.070 0.015 0.000 2.290 18 H HA -0.046 4.509 4.556 -0.000 0.000 0.298 18 H C 2.871 178.209 175.328 0.016 0.000 1.087 18 H CA 2.042 58.098 56.048 0.013 0.000 1.291 18 H CB -0.048 29.720 29.762 0.009 0.000 1.369 18 H HN 0.304 nan 8.280 nan 0.000 0.492 19 S N -0.828 114.936 115.700 0.107 0.000 2.382 19 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 19 S C 2.114 176.716 174.600 0.003 0.000 1.027 19 S CA 1.555 59.785 58.200 0.050 0.000 0.991 19 S CB -0.342 62.904 63.200 0.076 0.000 0.823 19 S HN 0.571 nan 8.310 nan 0.000 0.469 20 T N 2.786 117.355 114.554 0.025 0.000 2.708 20 T HA 0.049 4.398 4.350 -0.000 0.000 0.266 20 T C 1.749 176.424 174.700 -0.043 0.000 1.037 20 T CA 0.930 63.046 62.100 0.026 0.000 1.146 20 T CB -0.413 68.518 68.868 0.106 0.000 0.865 20 T HN 0.249 nan 8.240 nan 0.000 0.435 21 L N 0.815 122.002 121.223 -0.061 0.000 2.201 21 L HA -0.088 4.251 4.340 -0.000 0.000 0.212 21 L C 2.489 179.289 176.870 -0.117 0.000 1.105 21 L CA 1.190 55.975 54.840 -0.092 0.000 0.775 21 L CB -0.493 41.504 42.059 -0.104 0.000 0.913 21 L HN 0.275 nan 8.230 nan 0.000 0.440 22 D N 0.256 120.568 120.400 -0.146 0.000 2.123 22 D HA -0.204 4.435 4.640 -0.000 0.000 0.196 22 D C 2.207 178.469 176.300 -0.064 0.000 0.992 22 D CA 1.312 55.240 54.000 -0.120 0.000 0.833 22 D CB 0.081 40.819 40.800 -0.103 0.000 0.954 22 D HN 0.227 nan 8.370 nan 0.000 0.455 23 L N -0.143 121.043 121.223 -0.062 0.000 2.179 23 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 23 L C 2.448 179.289 176.870 -0.048 0.000 1.096 23 L CA 0.332 55.143 54.840 -0.048 0.000 0.779 23 L CB -0.244 41.775 42.059 -0.067 0.000 0.922 23 L HN 0.152 nan 8.230 nan 0.000 0.443 24 I N 0.094 120.595 120.570 -0.115 0.000 2.202 24 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 24 I C 2.292 178.429 176.117 0.033 0.000 1.091 24 I CA 1.391 62.625 61.300 -0.111 0.000 1.368 24 I CB -0.243 37.645 38.000 -0.187 0.000 1.058 24 I HN 0.282 nan 8.210 nan 0.000 0.410 25 E N 0.646 120.842 120.200 -0.008 0.000 2.268 25 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 25 E C 2.128 178.738 176.600 0.016 0.000 0.995 25 E CA 0.666 57.068 56.400 0.004 0.000 0.836 25 E CB -0.072 29.613 29.700 -0.024 0.000 0.763 25 E HN 0.451 nan 8.360 nan 0.000 0.491 26 R N 0.563 121.074 120.500 0.017 0.000 2.276 26 R HA 0.073 4.413 4.340 -0.000 0.000 0.203 26 R C 0.641 176.960 176.300 0.032 0.000 1.017 26 R CA 0.556 56.667 56.100 0.019 0.000 1.010 26 R CB 0.221 30.529 30.300 0.014 0.000 0.900 26 R HN 0.089 nan 8.270 nan 0.000 0.469 27 N N 0.125 118.867 118.700 0.070 0.000 2.466 27 N HA 0.009 4.748 4.740 -0.000 0.000 0.272 27 N C 0.287 175.838 175.510 0.068 0.000 1.455 27 N CA -0.071 53.011 53.050 0.053 0.000 0.875 27 N CB 0.971 39.507 38.487 0.081 0.000 1.372 27 N HN 0.002 nan 8.380 nan 0.000 0.492 28 L N 2.178 123.445 121.223 0.073 0.000 2.357 28 L HA -0.188 4.152 4.340 -0.000 0.000 0.220 28 L C 1.948 178.829 176.870 0.018 0.000 1.123 28 L CA 1.793 56.678 54.840 0.074 0.000 0.782 28 L CB -0.277 41.807 42.059 0.041 0.000 0.910 28 L HN 0.285 nan 8.230 nan 0.000 0.442 29 D N -0.637 119.743 120.400 -0.033 0.000 2.269 29 D HA -0.225 4.414 4.640 -0.000 0.000 0.208 29 D C 1.740 177.961 176.300 -0.133 0.000 0.963 29 D CA 1.117 55.078 54.000 -0.066 0.000 0.864 29 D CB -0.200 40.563 40.800 -0.062 0.000 0.936 29 D HN 0.570 nan 8.370 nan 0.000 0.505 30 R N -1.227 119.115 120.500 -0.263 0.000 2.397 30 R HA 0.226 4.566 4.340 -0.000 0.000 0.241 30 R C -0.207 175.730 176.300 -0.605 0.000 0.914 30 R CA -0.369 55.456 56.100 -0.458 0.000 1.071 30 R CB -0.200 29.722 30.300 -0.631 0.000 1.116 30 R HN 0.089 nan 8.270 nan 0.000 0.524 31 Y N 0.942 121.215 120.300 -0.045 0.000 2.462 31 Y HA 0.319 4.869 4.550 -0.000 0.000 0.346 31 Y C -0.499 175.392 175.900 -0.014 0.000 0.976 31 Y CA -1.223 56.854 58.100 -0.038 0.000 1.044 31 Y CB 2.367 40.790 38.460 -0.062 0.000 1.230 31 Y HN -0.075 nan 8.280 nan 0.000 0.455 32 Q N 3.155 123.058 119.800 0.171 0.000 2.401 32 Q HA 0.441 4.781 4.340 -0.000 0.000 0.260 32 Q C -1.691 174.371 176.000 0.105 0.000 1.034 32 Q CA -0.661 55.204 55.803 0.102 0.000 0.737 32 Q CB 1.299 30.078 28.738 0.068 0.000 1.227 32 Q HN 0.636 nan 8.270 nan 0.000 0.488 33 V N 6.134 126.100 119.914 0.086 0.000 2.529 33 V HA -0.037 4.083 4.120 -0.000 0.000 0.292 33 V C 1.261 177.388 176.094 0.055 0.000 1.028 33 V CA 0.136 62.478 62.300 0.070 0.000 1.074 33 V CB 0.335 32.187 31.823 0.049 0.000 0.958 33 V HN 0.820 nan 8.190 nan 0.000 0.481 34 I N 3.562 124.166 120.570 0.057 0.000 2.405 34 I HA 0.288 4.458 4.170 -0.000 0.000 0.236 34 I C 1.079 177.213 176.117 0.029 0.000 1.071 34 I CA 1.105 62.430 61.300 0.042 0.000 1.398 34 I CB -0.651 37.375 38.000 0.044 0.000 1.162 34 I HN 0.663 nan 8.210 nan 0.000 0.432 35 A N 1.364 124.199 122.820 0.026 0.000 2.386 35 A HA 0.765 5.085 4.320 -0.000 0.000 0.311 35 A C -0.909 176.682 177.584 0.012 0.000 1.068 35 A CA -0.400 51.646 52.037 0.014 0.000 0.743 35 A CB 1.735 20.739 19.000 0.007 0.000 1.258 35 A HN 0.222 nan 8.150 nan 0.000 0.429 36 L N 0.935 122.162 121.223 0.007 0.000 2.354 36 L HA 0.733 5.073 4.340 -0.000 0.000 0.269 36 L C -0.231 176.638 176.870 -0.001 0.000 1.005 36 L CA -0.525 54.318 54.840 0.005 0.000 0.819 36 L CB 2.591 44.654 42.059 0.007 0.000 1.311 36 L HN 0.731 nan 8.230 nan 0.000 0.423 37 T N 1.102 115.655 114.554 -0.002 0.000 2.909 37 T HA 0.831 5.181 4.350 -0.000 0.000 0.299 37 T C -0.841 173.858 174.700 -0.001 0.000 1.073 37 T CA -0.367 61.730 62.100 -0.004 0.000 0.999 37 T CB 2.332 71.195 68.868 -0.009 0.000 1.098 37 T HN 0.755 nan 8.240 nan 0.000 0.477 38 A N 1.889 124.708 122.820 -0.002 0.000 2.567 38 A HA 0.774 5.094 4.320 -0.000 0.000 0.289 38 A C 0.405 177.988 177.584 -0.001 0.000 1.177 38 A CA -0.531 51.506 52.037 0.000 0.000 0.694 38 A CB 1.369 20.370 19.000 0.001 0.000 1.292 38 A HN 0.697 nan 8.150 nan 0.000 0.425 39 N N -1.139 117.560 118.700 -0.001 0.000 2.607 39 N HA 0.130 4.870 4.740 -0.000 0.000 0.207 39 N C 1.156 176.666 175.510 -0.000 0.000 1.040 39 N CA 1.229 54.279 53.050 -0.001 0.000 0.947 39 N CB 0.286 38.771 38.487 -0.003 0.000 1.293 39 N HN 0.568 nan 8.380 nan 0.000 0.446 40 R N -0.999 119.500 120.500 -0.001 0.000 2.544 40 R HA 0.259 4.599 4.340 -0.000 0.000 0.303 40 R C -0.336 175.963 176.300 -0.003 0.000 0.939 40 R CA -0.223 55.876 56.100 -0.001 0.000 1.102 40 R CB 0.288 30.587 30.300 -0.002 0.000 1.440 40 R HN 0.044 nan 8.270 nan 0.000 0.532 41 N N 1.984 120.683 118.700 -0.002 0.000 3.124 41 N HA 0.022 4.762 4.740 -0.000 0.000 0.284 41 N C 0.846 176.354 175.510 -0.003 0.000 1.209 41 N CA 0.132 53.181 53.050 -0.001 0.000 1.149 41 N CB 0.735 39.223 38.487 0.002 0.000 1.434 41 N HN -0.078 nan 8.380 nan 0.000 0.529 42 V N 2.116 122.025 119.914 -0.008 0.000 2.594 42 V HA -0.209 3.910 4.120 -0.000 0.000 0.253 42 V C 2.447 178.534 176.094 -0.012 0.000 1.069 42 V CA 1.455 63.745 62.300 -0.016 0.000 1.082 42 V CB -0.406 31.404 31.823 -0.022 0.000 0.680 42 V HN 0.566 nan 8.190 nan 0.000 0.469 43 K N 0.334 120.730 120.400 -0.006 0.000 1.973 43 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 43 K C 1.922 178.525 176.600 0.005 0.000 1.047 43 K CA 2.035 58.321 56.287 -0.002 0.000 0.937 43 K CB -0.267 32.233 32.500 0.001 0.000 0.721 43 K HN 0.395 nan 8.250 nan 0.000 0.440 44 D N 1.028 121.435 120.400 0.013 0.000 2.117 44 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 44 D C 1.906 178.219 176.300 0.022 0.000 0.987 44 D CA 0.801 54.818 54.000 0.028 0.000 0.829 44 D CB -0.298 40.528 40.800 0.043 0.000 0.961 44 D HN 0.168 nan 8.370 nan 0.000 0.460 45 L N 1.016 122.246 121.223 0.011 0.000 2.012 45 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 45 L C 2.119 178.986 176.870 -0.005 0.000 1.073 45 L CA 2.023 56.864 54.840 0.003 0.000 0.748 45 L CB -0.880 41.175 42.059 -0.006 0.000 0.891 45 L HN -0.008 nan 8.230 nan 0.000 0.431 46 A N -0.839 121.974 122.820 -0.012 0.000 1.902 46 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 46 A C 2.050 179.629 177.584 -0.008 0.000 1.181 46 A CA 1.791 53.818 52.037 -0.017 0.000 0.623 46 A CB -1.057 17.930 19.000 -0.023 0.000 0.818 46 A HN 0.633 nan 8.150 nan 0.000 0.443 47 D N -0.120 120.280 120.400 -0.000 0.000 2.087 47 D HA -0.079 4.561 4.640 -0.000 0.000 0.192 47 D C 2.038 178.341 176.300 0.004 0.000 0.993 47 D CA 2.029 56.032 54.000 0.005 0.000 0.828 47 D CB -0.266 40.542 40.800 0.014 0.000 0.968 47 D HN 0.317 nan 8.370 nan 0.000 0.448 48 A N 0.482 123.306 122.820 0.007 0.000 1.908 48 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 48 A C 2.415 179.999 177.584 -0.000 0.000 1.181 48 A CA 2.451 54.489 52.037 0.002 0.000 0.627 48 A CB -1.237 17.767 19.000 0.006 0.000 0.818 48 A HN 0.376 nan 8.150 nan 0.000 0.445 49 A N -0.126 122.694 122.820 -0.001 0.000 1.883 49 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 49 A C 2.131 179.715 177.584 -0.001 0.000 1.186 49 A CA 1.990 54.026 52.037 -0.002 0.000 0.624 49 A CB -0.487 18.507 19.000 -0.009 0.000 0.822 49 A HN 0.556 nan 8.150 nan 0.000 0.444 50 K N -0.828 119.570 120.400 -0.003 0.000 2.057 50 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 50 K C 2.319 178.920 176.600 0.001 0.000 1.050 50 K CA 1.335 57.621 56.287 -0.002 0.000 0.935 50 K CB -0.187 32.311 32.500 -0.003 0.000 0.715 50 K HN 0.367 nan 8.250 nan 0.000 0.439 51 R N 0.213 120.713 120.500 0.000 0.000 2.105 51 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 51 R C 2.097 178.399 176.300 0.003 0.000 1.135 51 R CA 1.915 58.015 56.100 -0.000 0.000 0.967 51 R CB -0.282 30.015 30.300 -0.005 0.000 0.861 51 R HN 0.356 nan 8.270 nan 0.000 0.442 52 T N -3.180 111.377 114.554 0.005 0.000 3.069 52 T HA 0.060 4.410 4.350 -0.000 0.000 0.252 52 T C 0.409 175.119 174.700 0.017 0.000 1.053 52 T CA -0.148 61.960 62.100 0.013 0.000 0.964 52 T CB -0.205 68.671 68.868 0.014 0.000 1.005 52 T HN 0.393 nan 8.240 nan 0.000 0.532 53 N N 0.974 119.681 118.700 0.011 0.000 2.725 53 N HA -0.195 4.545 4.740 -0.000 0.000 0.251 53 N C 0.177 175.696 175.510 0.015 0.000 1.031 53 N CA -0.094 52.963 53.050 0.011 0.000 0.720 53 N CB -1.204 37.291 38.487 0.013 0.000 0.930 53 N HN 0.792 nan 8.380 nan 0.000 0.543 54 A N 0.665 123.493 122.820 0.013 0.000 2.448 54 A HA 0.076 4.396 4.320 -0.000 0.000 0.239 54 A C 1.248 178.840 177.584 0.013 0.000 1.080 54 A CA 0.190 52.236 52.037 0.016 0.000 0.779 54 A CB 0.446 19.453 19.000 0.012 0.000 1.026 54 A HN 0.478 nan 8.150 nan 0.000 0.499 55 K N -0.264 120.146 120.400 0.016 0.000 2.116 55 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 55 K C 0.924 177.529 176.600 0.008 0.000 1.052 55 K CA 1.046 57.341 56.287 0.014 0.000 0.952 55 K CB 0.130 32.641 32.500 0.018 0.000 0.729 55 K HN 0.697 nan 8.250 nan 0.000 0.446 56 R N -0.645 119.859 120.500 0.007 0.000 2.707 56 R HA 0.445 4.785 4.340 -0.000 0.000 0.272 56 R C -2.097 174.200 176.300 -0.005 0.000 1.011 56 R CA -0.424 55.676 56.100 0.001 0.000 0.893 56 R CB 2.108 32.412 30.300 0.006 0.000 1.233 56 R HN 0.008 nan 8.270 nan 0.000 0.464 57 A N 2.753 125.563 122.820 -0.017 0.000 2.356 57 A HA 0.653 4.973 4.320 -0.000 0.000 0.310 57 A C -1.362 176.206 177.584 -0.028 0.000 1.075 57 A CA -0.604 51.419 52.037 -0.023 0.000 0.746 57 A CB 1.930 20.909 19.000 -0.035 0.000 1.221 57 A HN 0.344 nan 8.150 nan 0.000 0.443 58 V N 3.333 123.237 119.914 -0.017 0.000 2.483 58 V HA 0.389 4.509 4.120 -0.000 0.000 0.297 58 V C -0.820 175.269 176.094 -0.008 0.000 1.027 58 V CA -0.357 61.939 62.300 -0.008 0.000 0.855 58 V CB 1.395 33.221 31.823 0.005 0.000 0.995 58 V HN 0.818 nan 8.190 nan 0.000 0.424 59 I N 4.470 125.035 120.570 -0.009 0.000 2.321 59 I HA 0.632 4.802 4.170 -0.000 0.000 0.291 59 I C 1.230 177.359 176.117 0.019 0.000 0.998 59 I CA 0.229 61.527 61.300 -0.002 0.000 1.227 59 I CB 1.539 39.529 38.000 -0.016 0.000 1.368 59 I HN 0.695 nan 8.210 nan 0.000 0.466 60 A N 4.993 127.820 122.820 0.011 0.000 1.865 60 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 60 A C 0.952 178.547 177.584 0.018 0.000 1.191 60 A CA 1.299 53.343 52.037 0.012 0.000 0.623 60 A CB -0.883 18.117 19.000 0.001 0.000 0.826 60 A HN 0.760 nan 8.150 nan 0.000 0.444 61 D N -0.264 120.145 120.400 0.016 0.000 2.412 61 D HA 0.255 4.895 4.640 -0.000 0.000 0.257 61 D C -1.720 174.606 176.300 0.043 0.000 1.217 61 D CA -1.168 52.844 54.000 0.019 0.000 0.897 61 D CB 0.961 41.769 40.800 0.014 0.000 1.132 61 D HN 0.082 nan 8.370 nan 0.000 0.493 62 P HA -0.102 nan 4.420 nan 0.000 0.222 62 P C 0.838 178.184 177.300 0.077 0.000 1.147 62 P CA 0.735 63.874 63.100 0.065 0.000 0.790 62 P CB 0.295 32.008 31.700 0.021 0.000 0.780 63 S N -0.298 115.431 115.700 0.049 0.000 2.402 63 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 63 S C 1.528 176.166 174.600 0.065 0.000 1.021 63 S CA 0.982 59.209 58.200 0.044 0.000 0.974 63 S CB -0.935 62.278 63.200 0.023 0.000 0.800 63 S HN 0.198 nan 8.310 nan 0.000 0.484 64 L N 0.304 121.566 121.223 0.065 0.000 2.611 64 L HA 0.219 4.559 4.340 -0.000 0.000 0.229 64 L C 1.809 178.718 176.870 0.066 0.000 1.137 64 L CA 0.055 54.925 54.840 0.051 0.000 0.901 64 L CB -0.567 41.505 42.059 0.021 0.000 1.098 64 L HN 0.234 nan 8.230 nan 0.000 0.456 65 Y N 1.536 121.833 120.300 -0.005 0.000 2.114 65 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 65 Y C 2.477 178.376 175.900 -0.002 0.000 1.165 65 Y CA 1.883 59.980 58.100 -0.004 0.000 1.148 65 Y CB 0.016 38.473 38.460 -0.005 0.000 0.972 65 Y HN 0.281 nan 8.280 nan 0.000 0.504 66 N N 0.406 119.237 118.700 0.218 0.000 2.166 66 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 66 N C 1.271 176.778 175.510 -0.005 0.000 1.019 66 N CA 1.625 54.748 53.050 0.121 0.000 0.856 66 N CB -0.404 38.158 38.487 0.124 0.000 0.993 66 N HN 0.523 nan 8.380 nan 0.000 0.426 67 D N 1.134 121.529 120.400 -0.009 0.000 2.097 67 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 67 D C 2.102 178.363 176.300 -0.066 0.000 0.989 67 D CA 0.487 54.471 54.000 -0.027 0.000 0.827 67 D CB -0.451 40.341 40.800 -0.014 0.000 0.966 67 D HN 0.140 nan 8.370 nan 0.000 0.456 68 L N 1.376 122.531 121.223 -0.113 0.000 2.012 68 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 68 L C 2.092 178.857 176.870 -0.175 0.000 1.073 68 L CA 1.828 56.580 54.840 -0.147 0.000 0.748 68 L CB -0.492 41.448 42.059 -0.198 0.000 0.891 68 L HN -0.127 nan 8.230 nan 0.000 0.431 69 K N -0.796 119.449 120.400 -0.259 0.000 2.147 69 K HA -0.230 4.089 4.320 -0.000 0.000 0.205 69 K C 2.059 178.603 176.600 -0.093 0.000 1.049 69 K CA 1.724 57.886 56.287 -0.210 0.000 0.936 69 K CB -0.038 32.324 32.500 -0.232 0.000 0.722 69 K HN 0.492 nan 8.250 nan 0.000 0.446 70 E N -0.423 119.736 120.200 -0.068 0.000 2.028 70 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 70 E C 1.812 178.391 176.600 -0.034 0.000 0.984 70 E CA 0.922 57.301 56.400 -0.034 0.000 0.800 70 E CB -0.054 29.634 29.700 -0.021 0.000 0.758 70 E HN 0.405 nan 8.360 nan 0.000 0.448 71 A N 0.507 123.302 122.820 -0.042 0.000 2.024 71 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 71 A C 1.708 179.272 177.584 -0.033 0.000 1.164 71 A CA 0.986 53.003 52.037 -0.034 0.000 0.643 71 A CB -0.275 18.703 19.000 -0.036 0.000 0.806 71 A HN 0.210 nan 8.150 nan 0.000 0.451 72 L N -0.159 121.037 121.223 -0.045 0.000 2.928 72 L HA 0.314 4.654 4.340 -0.000 0.000 0.246 72 L C 0.812 177.664 176.870 -0.030 0.000 1.239 72 L CA -0.468 54.349 54.840 -0.038 0.000 1.035 72 L CB -0.064 41.965 42.059 -0.051 0.000 1.360 72 L HN 0.323 nan 8.230 nan 0.000 0.529 73 A N -0.034 122.771 122.820 -0.024 0.000 2.488 73 A HA 0.443 4.763 4.320 -0.000 0.000 0.249 73 A C 1.481 179.059 177.584 -0.010 0.000 1.083 73 A CA 0.729 52.757 52.037 -0.015 0.000 0.768 73 A CB 0.023 19.017 19.000 -0.011 0.000 1.017 73 A HN 0.648 nan 8.150 nan 0.000 0.496 74 G N 1.212 110.008 108.800 -0.007 0.000 2.184 74 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.264 74 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.264 74 G C 0.706 175.604 174.900 -0.004 0.000 0.975 74 G CA 0.889 45.987 45.100 -0.004 0.000 0.642 74 G HN 1.656 nan 8.290 nan 0.000 0.536 75 S N -0.250 115.446 115.700 -0.008 0.000 2.632 75 S HA 0.616 5.086 4.470 -0.000 0.000 0.271 75 S C 1.692 176.288 174.600 -0.006 0.000 1.260 75 S CA 0.763 58.959 58.200 -0.007 0.000 1.010 75 S CB 1.250 64.443 63.200 -0.012 0.000 0.965 75 S HN 1.231 nan 8.310 nan 0.000 0.534 76 S N 1.631 117.330 115.700 -0.003 0.000 2.575 76 S HA 0.163 4.633 4.470 -0.000 0.000 0.215 76 S C 0.244 174.843 174.600 -0.002 0.000 0.966 76 S CA -0.356 57.844 58.200 -0.000 0.000 0.911 76 S CB -0.314 62.888 63.200 0.002 0.000 0.780 76 S HN 0.454 nan 8.310 nan 0.000 0.514 77 V N 3.139 123.049 119.914 -0.006 0.000 2.508 77 V HA 0.203 4.323 4.120 -0.000 0.000 0.281 77 V C 0.320 176.404 176.094 -0.015 0.000 1.041 77 V CA -0.425 61.869 62.300 -0.009 0.000 1.016 77 V CB 0.319 32.133 31.823 -0.014 0.000 0.984 77 V HN 0.449 nan 8.190 nan 0.000 0.478 78 E N 2.816 123.010 120.200 -0.010 0.000 2.373 78 E HA 0.578 4.928 4.350 -0.000 0.000 0.263 78 E C -0.001 176.580 176.600 -0.031 0.000 1.073 78 E CA -0.255 56.139 56.400 -0.010 0.000 0.894 78 E CB 0.970 30.674 29.700 0.006 0.000 1.008 78 E HN 0.842 nan 8.360 nan 0.000 0.420 79 A N 1.401 124.189 122.820 -0.054 0.000 2.340 79 A HA 0.817 5.137 4.320 -0.000 0.000 0.331 79 A C -0.884 176.657 177.584 -0.073 0.000 1.140 79 A CA -0.271 51.689 52.037 -0.129 0.000 0.801 79 A CB 1.390 20.225 19.000 -0.276 0.000 1.234 79 A HN 0.605 nan 8.150 nan 0.000 0.469 80 A N 0.124 122.907 122.820 -0.062 0.000 2.604 80 A HA 0.929 5.248 4.320 -0.000 0.000 0.295 80 A C -0.557 177.093 177.584 0.111 0.000 1.067 80 A CA 0.093 52.200 52.037 0.117 0.000 0.683 80 A CB 1.051 20.106 19.000 0.092 0.000 1.281 80 A HN 2.590 nan 8.150 nan 0.000 0.407 81 A N -0.253 122.723 122.820 0.259 0.000 2.594 81 A HA 1.095 5.415 4.320 -0.000 0.000 0.291 81 A C 0.239 177.898 177.584 0.124 0.000 1.105 81 A CA 0.054 52.208 52.037 0.194 0.000 0.694 81 A CB 1.091 20.284 19.000 0.321 0.000 1.291 81 A HN 2.975 nan 8.150 nan 0.000 0.410 82 G N -1.668 107.175 108.800 0.072 0.000 2.629 82 G HA2 0.437 4.396 3.960 -0.000 0.000 0.686 82 G HA3 0.437 4.396 3.960 -0.000 0.000 0.686 82 G C 0.732 175.643 174.900 0.018 0.000 1.232 82 G CA 0.358 45.479 45.100 0.035 0.000 0.803 82 G HN 2.195 nan 8.290 nan 0.000 0.638 83 A N 0.052 122.873 122.820 0.001 0.000 1.908 83 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 83 A C 2.061 179.645 177.584 0.001 0.000 1.181 83 A CA 2.602 54.635 52.037 -0.007 0.000 0.627 83 A CB -0.433 18.553 19.000 -0.024 0.000 0.818 83 A HN 0.788 nan 8.150 nan 0.000 0.445 84 D N 0.105 120.507 120.400 0.003 0.000 2.144 84 D HA -0.066 4.574 4.640 -0.000 0.000 0.199 84 D C 2.202 178.508 176.300 0.010 0.000 0.984 84 D CA 1.419 55.423 54.000 0.006 0.000 0.834 84 D CB -0.463 40.339 40.800 0.004 0.000 0.955 84 D HN 0.454 nan 8.370 nan 0.000 0.465 85 A N 0.935 123.766 122.820 0.019 0.000 1.978 85 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 85 A C 2.399 179.992 177.584 0.015 0.000 1.170 85 A CA 0.905 52.957 52.037 0.026 0.000 0.636 85 A CB -0.688 18.340 19.000 0.047 0.000 0.810 85 A HN 0.192 nan 8.150 nan 0.000 0.448 86 L N -0.825 120.404 121.223 0.009 0.000 2.005 86 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 86 L C 2.529 179.395 176.870 -0.005 0.000 1.072 86 L CA 1.234 56.074 54.840 0.000 0.000 0.744 86 L CB -0.793 41.264 42.059 -0.002 0.000 0.895 86 L HN 0.229 nan 8.230 nan 0.000 0.433 87 V N -0.030 119.882 119.914 -0.002 0.000 2.392 87 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 87 V C 2.402 178.489 176.094 -0.011 0.000 1.059 87 V CA 1.852 64.148 62.300 -0.008 0.000 1.051 87 V CB -0.561 31.263 31.823 0.000 0.000 0.658 87 V HN 0.453 nan 8.190 nan 0.000 0.455 88 E N 0.074 120.272 120.200 -0.003 0.000 2.077 88 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 88 E C 2.343 178.941 176.600 -0.005 0.000 0.989 88 E CA 1.271 57.669 56.400 -0.002 0.000 0.800 88 E CB -0.329 29.375 29.700 0.006 0.000 0.746 88 E HN 0.613 nan 8.360 nan 0.000 0.452 89 A N 1.257 124.074 122.820 -0.004 0.000 1.933 89 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 89 A C 2.300 179.874 177.584 -0.016 0.000 1.175 89 A CA 1.545 53.579 52.037 -0.005 0.000 0.628 89 A CB -0.452 18.546 19.000 -0.004 0.000 0.814 89 A HN 0.284 nan 8.150 nan 0.000 0.444 90 A N -1.202 121.602 122.820 -0.026 0.000 2.209 90 A HA 0.177 4.496 4.320 -0.000 0.000 0.212 90 A C 1.890 179.447 177.584 -0.045 0.000 1.158 90 A CA 1.170 53.181 52.037 -0.044 0.000 0.742 90 A CB -0.449 18.519 19.000 -0.053 0.000 0.790 90 A HN 0.525 nan 8.150 nan 0.000 0.472 91 M N -1.409 118.172 119.600 -0.031 0.000 2.371 91 M HA 0.247 4.727 4.480 -0.000 0.000 0.246 91 M C 1.404 177.694 176.300 -0.017 0.000 1.103 91 M CA 0.092 55.374 55.300 -0.030 0.000 1.010 91 M CB 0.003 32.587 32.600 -0.026 0.000 1.457 91 M HN 0.331 nan 8.290 nan 0.000 0.486 92 M N 0.064 119.658 119.600 -0.010 0.000 2.539 92 M HA -0.026 4.454 4.480 -0.000 0.000 0.261 92 M C 1.258 177.562 176.300 0.006 0.000 1.069 92 M CA 1.350 56.650 55.300 0.001 0.000 1.081 92 M CB -0.243 32.361 32.600 0.006 0.000 1.412 92 M HN 0.599 nan 8.290 nan 0.000 0.482 93 G N 0.086 108.887 108.800 0.002 0.000 2.163 93 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.213 93 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.213 93 G C 0.144 175.060 174.900 0.027 0.000 0.991 93 G CA -0.149 44.958 45.100 0.011 0.000 0.653 93 G HN 0.703 nan 8.290 nan 0.000 0.518 94 A N 0.189 123.025 122.820 0.028 0.000 2.540 94 A HA 0.481 4.801 4.320 -0.000 0.000 0.239 94 A C 1.169 178.796 177.584 0.072 0.000 1.061 94 A CA 1.325 53.397 52.037 0.058 0.000 0.758 94 A CB 0.169 19.203 19.000 0.056 0.000 0.991 94 A HN 0.528 nan 8.150 nan 0.000 0.502 95 D N 1.110 121.582 120.400 0.121 0.000 2.178 95 D HA -0.061 4.579 4.640 -0.000 0.000 0.202 95 D C 0.144 176.565 176.300 0.202 0.000 0.974 95 D CA 1.070 55.157 54.000 0.144 0.000 0.841 95 D CB 0.123 41.021 40.800 0.162 0.000 0.953 95 D HN 0.602 nan 8.370 nan 0.000 0.478 96 W N 0.399 121.712 121.300 0.022 0.000 2.600 96 W HA 0.469 5.129 4.660 -0.000 0.000 0.325 96 W C -1.338 175.163 176.519 -0.030 0.000 1.034 96 W CA -0.575 56.770 57.345 -0.001 0.000 1.226 96 W CB 1.711 31.176 29.460 0.008 0.000 1.379 96 W HN -0.380 nan 8.180 nan 0.000 0.466 97 T N 6.625 120.806 114.554 -0.622 0.000 2.841 97 T HA 0.325 4.675 4.350 -0.000 0.000 0.285 97 T C -0.723 173.456 174.700 -0.868 0.000 0.991 97 T CA -0.661 61.107 62.100 -0.553 0.000 0.966 97 T CB 1.156 69.835 68.868 -0.316 0.000 0.962 97 T HN 0.385 nan 8.240 nan 0.000 0.438 98 M N 4.002 123.186 119.600 -0.693 0.000 2.069 98 M HA 0.629 5.108 4.480 -0.000 0.000 0.349 98 M C -0.188 175.946 176.300 -0.276 0.000 1.194 98 M CA -1.028 53.949 55.300 -0.538 0.000 1.081 98 M CB -0.050 32.380 32.600 -0.283 0.000 1.500 98 M HN 0.622 nan 8.290 nan 0.000 0.438 99 A N 4.784 127.453 122.820 -0.251 0.000 2.650 99 A HA 0.668 4.987 4.320 -0.000 0.000 0.320 99 A C 0.707 178.226 177.584 -0.108 0.000 1.466 99 A CA 0.038 51.979 52.037 -0.160 0.000 1.099 99 A CB -0.701 18.203 19.000 -0.160 0.000 1.136 99 A HN 1.068 nan 8.150 nan 0.000 0.532 100 A N 2.885 125.660 122.820 -0.076 0.000 2.430 100 A HA 0.406 4.726 4.320 -0.000 0.000 0.243 100 A C 0.521 178.089 177.584 -0.026 0.000 1.254 100 A CA -0.095 51.918 52.037 -0.041 0.000 0.914 100 A CB -0.076 18.911 19.000 -0.021 0.000 0.998 100 A HN 0.682 nan 8.150 nan 0.000 0.515 101 I N 2.439 122.990 120.570 -0.032 0.000 2.396 101 I HA 0.119 4.289 4.170 -0.000 0.000 0.289 101 I C -0.284 175.825 176.117 -0.013 0.000 1.056 101 I CA -0.201 61.087 61.300 -0.019 0.000 1.365 101 I CB 0.635 38.623 38.000 -0.019 0.000 1.407 101 I HN 0.114 nan 8.210 nan 0.000 0.509 102 I N 5.215 125.782 120.570 -0.005 0.000 2.581 102 I HA 0.374 4.544 4.170 -0.000 0.000 0.288 102 I C 1.007 177.129 176.117 0.009 0.000 1.047 102 I CA 0.474 61.774 61.300 0.001 0.000 1.374 102 I CB 0.568 38.571 38.000 0.005 0.000 1.423 102 I HN 0.854 nan 8.210 nan 0.000 0.549 103 G N 4.851 113.661 108.800 0.016 0.000 2.796 103 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.226 103 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.226 103 G C 0.764 175.696 174.900 0.053 0.000 1.381 103 G CA -0.301 44.817 45.100 0.030 0.000 0.867 103 G HN 0.701 nan 8.290 nan 0.000 0.552 104 C N 0.720 120.069 119.300 0.082 0.000 2.401 104 C HA 0.101 4.561 4.460 -0.000 0.000 0.286 104 C C 3.348 178.404 174.990 0.110 0.000 1.332 104 C CA 1.992 61.115 59.018 0.174 0.000 1.795 104 C CB -1.736 26.110 27.740 0.176 0.000 1.922 104 C HN 1.374 nan 8.230 nan 0.000 0.520 105 A N -0.010 122.822 122.820 0.020 0.000 2.121 105 A HA 0.195 4.514 4.320 -0.000 0.000 0.218 105 A C 2.101 179.696 177.584 0.018 0.000 1.154 105 A CA 1.695 53.723 52.037 -0.015 0.000 0.679 105 A CB -0.468 18.515 19.000 -0.027 0.000 0.795 105 A HN 0.595 nan 8.150 nan 0.000 0.458 106 G N -1.407 107.415 108.800 0.037 0.000 3.324 106 G HA2 0.323 4.283 3.960 -0.000 0.000 0.251 106 G HA3 0.323 4.283 3.960 -0.000 0.000 0.251 106 G C 1.113 176.033 174.900 0.033 0.000 1.072 106 G CA 0.002 45.115 45.100 0.022 0.000 0.787 106 G HN 0.333 nan 8.290 nan 0.000 0.537 107 L N -0.103 121.175 121.223 0.092 0.000 2.056 107 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 107 L C 2.857 179.752 176.870 0.042 0.000 1.078 107 L CA 0.831 55.710 54.840 0.065 0.000 0.749 107 L CB -0.183 41.942 42.059 0.109 0.000 0.901 107 L HN 0.022 nan 8.230 nan 0.000 0.433 108 K N 0.315 120.783 120.400 0.114 0.000 2.002 108 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 108 K C 2.204 178.809 176.600 0.009 0.000 1.048 108 K CA 1.566 57.896 56.287 0.072 0.000 0.930 108 K CB -0.505 32.065 32.500 0.117 0.000 0.714 108 K HN 0.250 nan 8.250 nan 0.000 0.438 109 A N 0.899 123.722 122.820 0.004 0.000 1.883 109 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 109 A C 2.389 179.941 177.584 -0.053 0.000 1.186 109 A CA 2.491 54.513 52.037 -0.025 0.000 0.624 109 A CB -1.106 17.880 19.000 -0.024 0.000 0.822 109 A HN 0.363 nan 8.150 nan 0.000 0.444 110 T N -0.034 114.486 114.554 -0.057 0.000 2.684 110 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 110 T C 1.823 176.464 174.700 -0.099 0.000 1.036 110 T CA 1.601 63.648 62.100 -0.087 0.000 1.148 110 T CB -0.362 68.454 68.868 -0.085 0.000 0.863 110 T HN 0.286 nan 8.240 nan 0.000 0.436 111 L N 1.234 122.405 121.223 -0.087 0.000 2.093 111 L HA 0.177 4.517 4.340 -0.000 0.000 0.208 111 L C 2.565 179.368 176.870 -0.111 0.000 1.085 111 L CA 1.588 56.367 54.840 -0.101 0.000 0.755 111 L CB -1.089 40.914 42.059 -0.093 0.000 0.904 111 L HN 0.222 nan 8.230 nan 0.000 0.435 112 A N -0.536 122.229 122.820 -0.091 0.000 1.902 112 A HA -0.098 4.221 4.320 -0.000 0.000 0.217 112 A C 2.461 179.974 177.584 -0.118 0.000 1.181 112 A CA 1.761 53.740 52.037 -0.096 0.000 0.623 112 A CB -1.114 17.848 19.000 -0.063 0.000 0.818 112 A HN 0.530 nan 8.150 nan 0.000 0.443 113 A N 0.047 122.801 122.820 -0.111 0.000 1.877 113 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 113 A C 2.128 179.627 177.584 -0.143 0.000 1.186 113 A CA 1.575 53.539 52.037 -0.122 0.000 0.620 113 A CB -0.663 18.258 19.000 -0.132 0.000 0.822 113 A HN 0.498 nan 8.150 nan 0.000 0.443 114 I N -0.935 119.544 120.570 -0.150 0.000 2.208 114 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 114 I C 2.621 178.617 176.117 -0.203 0.000 1.097 114 I CA 1.462 62.671 61.300 -0.152 0.000 1.363 114 I CB -0.329 37.590 38.000 -0.136 0.000 1.051 114 I HN 0.282 nan 8.210 nan 0.000 0.413 115 R N 0.561 120.885 120.500 -0.292 0.000 2.293 115 R HA -0.108 4.232 4.340 -0.000 0.000 0.219 115 R C 1.759 177.748 176.300 -0.519 0.000 1.091 115 R CA 0.603 56.329 56.100 -0.623 0.000 1.004 115 R CB -0.039 29.960 30.300 -0.502 0.000 0.865 115 R HN 0.182 nan 8.270 nan 0.000 0.469 116 K N -0.500 119.755 120.400 -0.242 0.000 2.459 116 K HA 0.049 4.369 4.320 -0.000 0.000 0.193 116 K C 1.124 177.686 176.600 -0.062 0.000 1.030 116 K CA 0.791 57.002 56.287 -0.127 0.000 1.026 116 K CB 0.292 32.742 32.500 -0.083 0.000 0.809 116 K HN 0.379 nan 8.250 nan 0.000 0.504 117 G N 1.900 110.661 108.800 -0.064 0.000 2.175 117 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.265 117 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.265 117 G C 0.641 175.555 174.900 0.022 0.000 0.979 117 G CA 1.054 46.168 45.100 0.023 0.000 0.663 117 G HN 0.216 nan 8.290 nan 0.000 0.533 118 K N -0.160 120.240 120.400 -0.001 0.000 3.336 118 K HA 0.499 4.819 4.320 -0.000 0.000 0.260 118 K C 0.670 177.273 176.600 0.005 0.000 1.053 118 K CA 0.228 56.531 56.287 0.025 0.000 1.662 118 K CB -0.774 31.745 32.500 0.033 0.000 2.392 118 K HN 0.109 nan 8.250 nan 0.000 0.748 119 T N 1.430 115.986 114.554 0.004 0.000 2.771 119 T HA 0.444 4.794 4.350 -0.000 0.000 0.281 119 T C -0.737 173.820 174.700 -0.239 0.000 0.982 119 T CA -0.588 61.481 62.100 -0.051 0.000 0.978 119 T CB 1.182 70.119 68.868 0.115 0.000 0.930 119 T HN 0.016 nan 8.240 nan 0.000 0.447 120 V N 2.982 122.725 119.914 -0.285 0.000 2.409 120 V HA 0.604 4.724 4.120 -0.000 0.000 0.290 120 V C 0.213 176.063 176.094 -0.407 0.000 1.017 120 V CA -1.126 60.948 62.300 -0.377 0.000 0.841 120 V CB 1.308 32.974 31.823 -0.261 0.000 1.003 120 V HN 1.073 nan 8.190 nan 0.000 0.426 121 A N 5.579 128.053 122.820 -0.576 0.000 2.395 121 A HA 0.610 4.929 4.320 -0.000 0.000 0.286 121 A C -0.546 176.859 177.584 -0.299 0.000 1.193 121 A CA -0.151 51.641 52.037 -0.408 0.000 0.852 121 A CB 0.103 18.827 19.000 -0.461 0.000 1.118 121 A HN 0.775 nan 8.150 nan 0.000 0.524 122 L N 3.504 124.598 121.223 -0.215 0.000 2.260 122 L HA 0.560 4.900 4.340 -0.000 0.000 0.289 122 L C 0.903 177.712 176.870 -0.102 0.000 1.057 122 L CA 0.709 55.449 54.840 -0.166 0.000 0.811 122 L CB 1.123 43.081 42.059 -0.170 0.000 1.184 122 L HN 0.717 nan 8.230 nan 0.000 0.429 123 A N 3.898 126.666 122.820 -0.085 0.000 2.108 123 A HA 0.104 4.424 4.320 -0.000 0.000 0.206 123 A C 1.075 178.641 177.584 -0.030 0.000 1.212 123 A CA -0.011 52.004 52.037 -0.038 0.000 0.843 123 A CB -0.252 18.729 19.000 -0.032 0.000 0.902 123 A HN 0.766 nan 8.150 nan 0.000 0.477 124 N N 1.346 120.015 118.700 -0.052 0.000 2.671 124 N HA 0.002 4.742 4.740 -0.000 0.000 0.274 124 N C 1.056 176.538 175.510 -0.046 0.000 1.188 124 N CA 0.321 53.346 53.050 -0.041 0.000 1.065 124 N CB 0.318 38.773 38.487 -0.052 0.000 1.415 124 N HN 0.563 nan 8.380 nan 0.000 0.511 125 K N 1.919 122.308 120.400 -0.018 0.000 2.063 125 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 125 K C 1.148 177.734 176.600 -0.024 0.000 1.048 125 K CA 0.904 57.184 56.287 -0.012 0.000 0.928 125 K CB -0.017 32.510 32.500 0.046 0.000 0.713 125 K HN 0.217 nan 8.250 nan 0.000 0.442 126 E N 1.278 121.473 120.200 -0.008 0.000 2.149 126 E HA -0.272 4.078 4.350 -0.000 0.000 0.215 126 E C 2.056 178.634 176.600 -0.036 0.000 1.055 126 E CA 1.646 58.042 56.400 -0.007 0.000 0.870 126 E CB -0.855 28.847 29.700 0.003 0.000 0.764 126 E HN 0.407 nan 8.360 nan 0.000 0.463 127 S N 0.196 115.862 115.700 -0.057 0.000 2.429 127 S HA -0.262 4.208 4.470 -0.000 0.000 0.263 127 S C 2.029 176.547 174.600 -0.137 0.000 1.084 127 S CA 2.023 60.166 58.200 -0.095 0.000 1.284 127 S CB -0.692 62.441 63.200 -0.112 0.000 1.192 127 S HN 0.288 nan 8.310 nan 0.000 0.436 128 L N 0.923 122.053 121.223 -0.155 0.000 2.127 128 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 128 L C 2.277 179.042 176.870 -0.175 0.000 1.089 128 L CA 0.879 55.587 54.840 -0.219 0.000 0.757 128 L CB -0.725 41.235 42.059 -0.164 0.000 0.899 128 L HN 0.239 nan 8.230 nan 0.000 0.434 129 V N -1.294 118.586 119.914 -0.057 0.000 2.323 129 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 129 V C 2.384 178.466 176.094 -0.020 0.000 1.041 129 V CA 2.011 64.316 62.300 0.009 0.000 1.025 129 V CB -0.226 31.614 31.823 0.029 0.000 0.656 129 V HN 0.345 nan 8.190 nan 0.000 0.451 130 S N -0.314 115.358 115.700 -0.046 0.000 2.439 130 S HA 0.290 4.760 4.470 -0.000 0.000 0.224 130 S C 1.456 175.996 174.600 -0.101 0.000 1.029 130 S CA 0.834 59.006 58.200 -0.046 0.000 0.946 130 S CB 0.268 63.457 63.200 -0.018 0.000 0.797 130 S HN 0.608 nan 8.310 nan 0.000 0.504 131 A N 0.633 123.360 122.820 -0.155 0.000 2.568 131 A HA 0.641 4.960 4.320 -0.000 0.000 0.287 131 A C 1.526 178.945 177.584 -0.274 0.000 0.967 131 A CA 0.236 52.157 52.037 -0.192 0.000 1.004 131 A CB -0.443 18.446 19.000 -0.186 0.000 1.233 131 A HN 0.348 nan 8.150 nan 0.000 0.513 132 G N 0.855 109.393 108.800 -0.436 0.000 2.513 132 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.219 132 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.219 132 G C 1.512 176.077 174.900 -0.559 0.000 1.160 132 G CA 1.568 46.191 45.100 -0.795 0.000 0.767 132 G HN 0.803 nan 8.290 nan 0.000 0.571 133 G N 0.797 109.373 108.800 -0.374 0.000 2.446 133 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 133 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 133 G C 1.844 176.669 174.900 -0.126 0.000 1.168 133 G CA 0.952 45.968 45.100 -0.139 0.000 0.771 133 G HN 0.440 nan 8.290 nan 0.000 0.551 134 L N -0.158 120.982 121.223 -0.139 0.000 1.994 134 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 134 L C 3.133 179.933 176.870 -0.116 0.000 1.071 134 L CA 0.915 55.686 54.840 -0.114 0.000 0.745 134 L CB -0.475 41.508 42.059 -0.127 0.000 0.892 134 L HN 0.114 nan 8.230 nan 0.000 0.431 135 M N -0.300 119.209 119.600 -0.152 0.000 2.089 135 M HA -0.229 4.251 4.480 -0.000 0.000 0.257 135 M C 2.339 178.563 176.300 -0.126 0.000 1.071 135 M CA 1.838 57.050 55.300 -0.146 0.000 1.096 135 M CB -1.001 31.489 32.600 -0.182 0.000 1.330 135 M HN 0.191 nan 8.290 nan 0.000 0.403 136 I N 0.059 120.546 120.570 -0.137 0.000 2.546 136 I HA -0.198 3.972 4.170 -0.000 0.000 0.255 136 I C 1.753 177.825 176.117 -0.075 0.000 1.163 136 I CA 1.067 62.301 61.300 -0.111 0.000 1.457 136 I CB -1.537 36.395 38.000 -0.113 0.000 1.092 136 I HN 0.210 nan 8.210 nan 0.000 0.434 137 D N 1.412 121.773 120.400 -0.064 0.000 2.117 137 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 137 D C 2.331 178.623 176.300 -0.014 0.000 0.982 137 D CA 1.517 55.492 54.000 -0.042 0.000 0.828 137 D CB -0.067 40.709 40.800 -0.040 0.000 0.967 137 D HN 0.257 nan 8.370 nan 0.000 0.464 138 A N 0.652 123.475 122.820 0.005 0.000 1.933 138 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 138 A C 2.492 180.149 177.584 0.121 0.000 1.175 138 A CA 1.203 53.299 52.037 0.098 0.000 0.628 138 A CB -0.751 18.265 19.000 0.027 0.000 0.814 138 A HN 0.144 nan 8.150 nan 0.000 0.444 139 V N -0.101 119.820 119.914 0.012 0.000 2.343 139 V HA -0.274 3.845 4.120 -0.000 0.000 0.247 139 V C 2.654 178.751 176.094 0.005 0.000 1.051 139 V CA 2.313 64.609 62.300 -0.007 0.000 1.036 139 V CB -0.780 31.006 31.823 -0.063 0.000 0.654 139 V HN 0.526 nan 8.190 nan 0.000 0.451 140 R N -0.477 120.013 120.500 -0.016 0.000 2.090 140 R HA -0.137 4.203 4.340 -0.000 0.000 0.228 140 R C 2.411 178.686 176.300 -0.042 0.000 1.110 140 R CA 1.402 57.484 56.100 -0.029 0.000 0.973 140 R CB -0.235 30.040 30.300 -0.041 0.000 0.869 140 R HN 0.614 nan 8.270 nan 0.000 0.440 141 E N 0.059 120.223 120.200 -0.060 0.000 2.106 141 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 141 E C 0.611 177.013 176.600 -0.330 0.000 0.984 141 E CA 1.260 57.542 56.400 -0.197 0.000 0.806 141 E CB 0.160 29.705 29.700 -0.257 0.000 0.750 141 E HN 0.494 nan 8.360 nan 0.000 0.458 142 H N -1.742 117.314 119.070 -0.025 0.000 2.542 142 H HA 0.308 4.863 4.556 -0.000 0.000 0.283 142 H C 0.646 175.968 175.328 -0.009 0.000 1.059 142 H CA 0.429 56.467 56.048 -0.017 0.000 1.162 142 H CB 1.239 30.988 29.762 -0.023 0.000 1.539 142 H HN 0.276 nan 8.280 nan 0.000 0.543 143 G N 1.626 110.465 108.800 0.065 0.000 2.305 143 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.287 143 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.287 143 G C 0.164 175.097 174.900 0.055 0.000 1.036 143 G CA 0.552 45.683 45.100 0.052 0.000 0.887 143 G HN 0.392 nan 8.290 nan 0.000 0.505 144 T N 0.904 115.482 114.554 0.041 0.000 2.919 144 T HA 0.447 4.797 4.350 -0.000 0.000 0.302 144 T C 0.760 175.445 174.700 -0.025 0.000 1.031 144 T CA 0.516 62.619 62.100 0.004 0.000 1.127 144 T CB 1.226 70.076 68.868 -0.029 0.000 0.952 144 T HN 0.227 nan 8.240 nan 0.000 0.540 145 T N 4.307 118.838 114.554 -0.039 0.000 2.747 145 T HA 0.321 4.671 4.350 -0.000 0.000 0.301 145 T C 0.015 174.603 174.700 -0.185 0.000 0.952 145 T CA -0.447 61.594 62.100 -0.099 0.000 0.983 145 T CB -0.056 68.769 68.868 -0.072 0.000 0.930 145 T HN 0.376 nan 8.240 nan 0.000 0.494 146 L N 5.752 126.857 121.223 -0.197 0.000 2.257 146 L HA 0.528 4.867 4.340 -0.000 0.000 0.290 146 L C -0.966 175.716 176.870 -0.314 0.000 1.044 146 L CA -0.713 53.989 54.840 -0.229 0.000 0.810 146 L CB 0.456 42.403 42.059 -0.188 0.000 1.193 146 L HN 0.527 nan 8.230 nan 0.000 0.425 147 L N 7.744 128.742 121.223 -0.374 0.000 2.319 147 L HA 0.483 4.823 4.340 -0.000 0.000 0.281 147 L C -2.175 174.508 176.870 -0.312 0.000 1.005 147 L CA -1.933 52.602 54.840 -0.509 0.000 0.828 147 L CB 1.898 43.630 42.059 -0.545 0.000 1.227 147 L HN 0.441 nan 8.230 nan 0.000 0.415 148 P HA 0.036 nan 4.420 nan 0.000 0.271 148 P C 0.445 177.745 177.300 -0.000 0.000 1.226 148 P CA -0.120 62.934 63.100 -0.077 0.000 0.765 148 P CB 2.057 33.786 31.700 0.048 0.000 0.835 149 V N 2.630 122.552 119.914 0.014 0.000 2.992 149 V HA -0.073 4.047 4.120 -0.000 0.000 0.250 149 V C 1.125 177.263 176.094 0.073 0.000 1.090 149 V CA 1.115 63.445 62.300 0.051 0.000 1.101 149 V CB -1.029 30.810 31.823 0.026 0.000 0.743 149 V HN 0.600 nan 8.190 nan 0.000 0.468 150 D N -0.580 119.878 120.400 0.096 0.000 2.399 150 D HA 0.018 4.658 4.640 -0.000 0.000 0.241 150 D C 1.261 177.601 176.300 0.066 0.000 1.133 150 D CA 0.564 54.617 54.000 0.087 0.000 0.890 150 D CB 0.996 41.879 40.800 0.137 0.000 1.201 150 D HN 0.005 nan 8.370 nan 0.000 0.432 151 S N 1.735 117.426 115.700 -0.014 0.000 2.369 151 S HA -0.286 4.184 4.470 -0.000 0.000 0.225 151 S C 1.574 176.158 174.600 -0.026 0.000 1.043 151 S CA 1.754 59.901 58.200 -0.089 0.000 1.074 151 S CB -0.536 62.527 63.200 -0.228 0.000 0.962 151 S HN 0.667 nan 8.310 nan 0.000 0.433 152 E N 0.559 120.724 120.200 -0.058 0.000 2.038 152 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 152 E C 1.975 178.578 176.600 0.005 0.000 1.000 152 E CA 1.558 57.920 56.400 -0.064 0.000 0.803 152 E CB -0.365 29.213 29.700 -0.204 0.000 0.750 152 E HN 0.704 nan 8.360 nan 0.000 0.448 153 H N -0.371 118.829 119.070 0.217 0.000 2.423 153 H HA 0.007 4.563 4.556 -0.000 0.000 0.297 153 H C 1.937 177.488 175.328 0.371 0.000 1.075 153 H CA 1.102 57.360 56.048 0.350 0.000 1.342 153 H CB 0.040 29.965 29.762 0.272 0.000 1.395 153 H HN 0.120 nan 8.280 nan 0.000 0.530 154 N N 0.903 119.794 118.700 0.319 0.000 2.142 154 N HA -0.132 4.607 4.740 -0.000 0.000 0.186 154 N C 2.045 177.686 175.510 0.219 0.000 1.023 154 N CA 0.948 54.140 53.050 0.236 0.000 0.852 154 N CB 0.011 38.572 38.487 0.123 0.000 0.998 154 N HN 0.358 nan 8.380 nan 0.000 0.424 155 A N 1.735 124.670 122.820 0.192 0.000 1.865 155 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 155 A C 2.338 180.037 177.584 0.191 0.000 1.191 155 A CA 1.123 53.273 52.037 0.189 0.000 0.623 155 A CB -0.804 18.328 19.000 0.220 0.000 0.826 155 A HN 0.342 nan 8.150 nan 0.000 0.444 156 I N -1.910 118.769 120.570 0.182 0.000 2.151 156 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 156 I C 2.354 178.526 176.117 0.092 0.000 1.080 156 I CA 1.845 63.175 61.300 0.049 0.000 1.339 156 I CB -0.378 37.536 38.000 -0.144 0.000 1.039 156 I HN 0.445 nan 8.210 nan 0.000 0.409 157 F N 1.581 121.646 119.950 0.190 0.000 2.126 157 F HA -0.283 4.244 4.527 -0.000 0.000 0.299 157 F C 2.546 178.594 175.800 0.414 0.000 1.096 157 F CA 1.795 60.045 58.000 0.416 0.000 1.255 157 F CB -0.358 38.934 39.000 0.486 0.000 0.997 157 F HN 0.086 nan 8.300 nan 0.000 0.479 158 Q N -1.476 118.612 119.800 0.479 0.000 2.436 158 Q HA -0.119 4.221 4.340 -0.000 0.000 0.209 158 Q C 1.689 177.850 176.000 0.267 0.000 0.965 158 Q CA 1.153 57.180 55.803 0.373 0.000 0.910 158 Q CB -0.173 28.671 28.738 0.176 0.000 0.980 158 Q HN 0.439 nan 8.270 nan 0.000 0.491 159 C N -0.673 118.749 119.300 0.204 0.000 3.183 159 C HA 0.282 4.742 4.460 -0.000 0.000 0.285 159 C C 0.357 175.442 174.990 0.158 0.000 1.313 159 C CA -0.909 58.208 59.018 0.165 0.000 1.711 159 C CB -0.787 27.032 27.740 0.132 0.000 2.135 159 C HN 0.268 nan 8.230 nan 0.000 0.651 160 F N 4.254 124.117 119.950 -0.145 0.000 2.396 160 F HA 0.411 4.938 4.527 -0.000 0.000 0.343 160 F C -1.991 173.531 175.800 -0.463 0.000 1.104 160 F CA -2.261 55.494 58.000 -0.409 0.000 1.161 160 F CB 1.038 39.616 39.000 -0.704 0.000 1.146 160 F HN -0.033 nan 8.300 nan 0.000 0.522 161 P HA 0.133 nan 4.420 nan 0.000 0.241 161 P C -1.295 175.876 177.300 -0.214 0.000 1.780 161 P CA -0.241 62.666 63.100 -0.320 0.000 1.111 161 P CB -0.427 31.124 31.700 -0.248 0.000 1.852 162 H N 1.425 120.661 119.070 0.277 0.000 2.897 162 H HA 0.045 4.601 4.556 -0.000 0.000 0.347 162 H C 0.727 176.299 175.328 0.406 0.000 1.068 162 H CA 0.858 57.136 56.048 0.383 0.000 1.426 162 H CB -0.073 29.909 29.762 0.366 0.000 1.410 162 H HN 0.502 nan 8.280 nan 0.000 0.597 163 H N -0.637 118.541 119.070 0.180 0.000 3.433 163 H HA -0.158 4.397 4.556 -0.000 0.000 0.197 163 H C -0.512 174.759 175.328 -0.094 0.000 1.059 163 H CA 0.977 57.061 56.048 0.060 0.000 1.185 163 H CB -1.426 28.383 29.762 0.079 0.000 1.106 163 H HN 0.712 nan 8.280 nan 0.000 0.329 164 N N 0.012 118.652 118.700 -0.100 0.000 2.635 164 N HA 0.108 4.848 4.740 -0.000 0.000 0.252 164 N C 0.630 175.897 175.510 -0.405 0.000 1.589 164 N CA 0.139 52.923 53.050 -0.443 0.000 0.828 164 N CB 0.622 38.526 38.487 -0.972 0.000 1.403 164 N HN 0.426 nan 8.380 nan 0.000 0.518 165 R N -0.200 120.199 120.500 -0.169 0.000 2.159 165 R HA -0.116 4.223 4.340 -0.000 0.000 0.237 165 R C 0.594 176.802 176.300 -0.153 0.000 1.131 165 R CA 1.650 57.689 56.100 -0.102 0.000 0.982 165 R CB -0.525 29.850 30.300 0.125 0.000 0.868 165 R HN 0.137 nan 8.270 nan 0.000 0.453 166 D N -0.605 119.711 120.400 -0.140 0.000 2.378 166 D HA -0.148 4.492 4.640 -0.000 0.000 0.227 166 D C 0.794 177.122 176.300 0.046 0.000 1.012 166 D CA 0.444 54.412 54.000 -0.052 0.000 0.905 166 D CB -0.122 40.666 40.800 -0.020 0.000 0.895 166 D HN 0.224 nan 8.370 nan 0.000 0.532 167 Y N 0.559 120.723 120.300 -0.226 0.000 2.517 167 Y HA 0.212 4.761 4.550 -0.000 0.000 0.281 167 Y C 0.746 176.383 175.900 -0.439 0.000 1.125 167 Y CA -0.827 57.110 58.100 -0.271 0.000 1.283 167 Y CB -0.048 38.244 38.460 -0.280 0.000 1.042 167 Y HN -0.089 nan 8.280 nan 0.000 0.547 168 V N 1.890 121.595 119.914 -0.349 0.000 2.488 168 V HA 0.140 4.260 4.120 -0.000 0.000 0.277 168 V C 1.332 177.281 176.094 -0.242 0.000 1.046 168 V CA -0.187 61.842 62.300 -0.451 0.000 0.986 168 V CB 1.634 33.145 31.823 -0.521 0.000 0.989 168 V HN 0.150 nan 8.190 nan 0.000 0.475 169 R N 4.255 124.631 120.500 -0.206 0.000 2.156 169 R HA 0.189 4.529 4.340 -0.000 0.000 0.207 169 R C 0.592 176.815 176.300 -0.128 0.000 1.040 169 R CA 0.481 56.507 56.100 -0.123 0.000 1.013 169 R CB 0.378 30.628 30.300 -0.082 0.000 0.931 169 R HN 0.855 nan 8.270 nan 0.000 0.465 170 R N -0.891 119.510 120.500 -0.165 0.000 2.753 170 R HA 0.337 4.677 4.340 -0.000 0.000 0.272 170 R C -1.604 174.572 176.300 -0.207 0.000 1.034 170 R CA -0.814 55.181 56.100 -0.176 0.000 0.869 170 R CB 0.677 30.917 30.300 -0.101 0.000 1.264 170 R HN -0.045 nan 8.270 nan 0.000 0.481 171 I N 2.403 122.815 120.570 -0.264 0.000 2.436 171 I HA 0.433 4.603 4.170 -0.000 0.000 0.289 171 I C -0.509 175.576 176.117 -0.054 0.000 1.010 171 I CA -1.024 60.151 61.300 -0.208 0.000 1.098 171 I CB 2.065 39.833 38.000 -0.386 0.000 1.266 171 I HN 0.443 nan 8.210 nan 0.000 0.434 172 I N 6.926 127.500 120.570 0.008 0.000 2.339 172 I HA 0.398 4.567 4.170 -0.000 0.000 0.290 172 I C -0.274 175.907 176.117 0.107 0.000 0.994 172 I CA -0.491 60.847 61.300 0.064 0.000 1.191 172 I CB 1.508 39.526 38.000 0.031 0.000 1.343 172 I HN 0.363 nan 8.210 nan 0.000 0.458 173 I N 6.144 126.803 120.570 0.149 0.000 2.291 173 I HA 0.144 4.314 4.170 -0.000 0.000 0.290 173 I C 0.711 176.901 176.117 0.122 0.000 1.050 173 I CA -0.385 60.998 61.300 0.139 0.000 1.245 173 I CB 1.093 39.187 38.000 0.158 0.000 1.405 173 I HN 0.611 nan 8.210 nan 0.000 0.478 174 T N 3.223 117.857 114.554 0.133 0.000 2.918 174 T HA 0.648 4.997 4.350 -0.000 0.000 0.302 174 T C -0.081 174.691 174.700 0.120 0.000 1.045 174 T CA -0.721 61.479 62.100 0.167 0.000 1.114 174 T CB 1.644 70.656 68.868 0.240 0.000 0.965 174 T HN 0.666 nan 8.240 nan 0.000 0.540 175 A N 1.751 124.629 122.820 0.097 0.000 2.427 175 A HA 0.617 4.936 4.320 -0.000 0.000 0.298 175 A C 1.092 178.663 177.584 -0.021 0.000 1.036 175 A CA -0.323 51.724 52.037 0.017 0.000 0.701 175 A CB 1.346 20.328 19.000 -0.031 0.000 1.250 175 A HN 1.194 nan 8.150 nan 0.000 0.412 176 S N 1.707 117.372 115.700 -0.059 0.000 2.419 176 S HA 0.186 4.656 4.470 -0.000 0.000 0.235 176 S C 1.594 176.120 174.600 -0.123 0.000 1.019 176 S CA 1.821 59.955 58.200 -0.110 0.000 0.982 176 S CB -0.208 62.927 63.200 -0.108 0.000 0.789 176 S HN 2.751 nan 8.310 nan 0.000 0.490 177 G N 0.342 109.056 108.800 -0.143 0.000 2.234 177 G HA2 0.227 4.186 3.960 -0.000 0.000 0.235 177 G HA3 0.227 4.186 3.960 -0.000 0.000 0.235 177 G C 1.199 175.957 174.900 -0.236 0.000 0.997 177 G CA 0.263 45.239 45.100 -0.206 0.000 0.623 177 G HN 1.982 nan 8.290 nan 0.000 0.514 178 G N -0.102 108.596 108.800 -0.170 0.000 2.829 178 G HA2 0.198 4.158 3.960 -0.000 0.000 0.628 178 G HA3 0.198 4.158 3.960 -0.000 0.000 0.628 178 G C -0.666 174.129 174.900 -0.175 0.000 1.412 178 G CA 0.272 45.276 45.100 -0.160 0.000 0.864 178 G HN 0.877 nan 8.290 nan 0.000 0.544 179 P HA -0.018 nan 4.420 nan 0.000 0.221 179 P C 0.835 177.896 177.300 -0.398 0.000 1.145 179 P CA 1.413 64.250 63.100 -0.438 0.000 0.795 179 P CB -0.047 31.237 31.700 -0.694 0.000 0.775 180 F N -0.564 119.427 119.950 0.070 0.000 2.837 180 F HA 0.386 4.913 4.527 -0.000 0.000 0.298 180 F C 2.121 178.067 175.800 0.243 0.000 1.161 180 F CA -1.094 56.979 58.000 0.121 0.000 1.353 180 F CB -0.759 38.311 39.000 0.117 0.000 0.951 180 F HN -0.220 nan 8.300 nan 0.000 0.508 181 R N 0.709 121.344 120.500 0.224 0.000 2.127 181 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 181 R C 1.472 177.889 176.300 0.194 0.000 1.134 181 R CA 2.083 58.278 56.100 0.158 0.000 0.975 181 R CB -0.143 30.165 30.300 0.013 0.000 0.865 181 R HN 0.350 nan 8.270 nan 0.000 0.447 182 T N -2.762 111.889 114.554 0.161 0.000 3.174 182 T HA 0.215 4.565 4.350 -0.000 0.000 0.269 182 T C -0.016 174.754 174.700 0.117 0.000 1.017 182 T CA -0.528 61.644 62.100 0.119 0.000 0.899 182 T CB 0.662 69.574 68.868 0.073 0.000 1.077 182 T HN -0.072 nan 8.240 nan 0.000 0.552 183 T N 3.163 117.815 114.554 0.163 0.000 2.907 183 T HA 0.561 4.911 4.350 -0.000 0.000 0.284 183 T C 0.375 175.079 174.700 0.007 0.000 1.004 183 T CA -0.598 61.551 62.100 0.081 0.000 1.063 183 T CB 1.494 70.414 68.868 0.087 0.000 0.992 183 T HN 0.533 nan 8.240 nan 0.000 0.483 184 S N 2.616 118.291 115.700 -0.041 0.000 2.601 184 S HA 0.296 4.766 4.470 -0.000 0.000 0.271 184 S C 1.436 175.963 174.600 -0.122 0.000 1.305 184 S CA -0.912 57.250 58.200 -0.064 0.000 1.022 184 S CB 0.395 63.567 63.200 -0.046 0.000 0.940 184 S HN 0.677 nan 8.310 nan 0.000 0.525 185 L N 1.715 122.863 121.223 -0.125 0.000 2.081 185 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 185 L C 2.840 179.639 176.870 -0.119 0.000 1.080 185 L CA 1.835 56.588 54.840 -0.145 0.000 0.754 185 L CB -0.921 41.068 42.059 -0.117 0.000 0.893 185 L HN 1.009 nan 8.230 nan 0.000 0.433 186 A N -0.755 122.010 122.820 -0.092 0.000 1.877 186 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 186 A C 2.222 179.749 177.584 -0.095 0.000 1.186 186 A CA 1.953 53.945 52.037 -0.076 0.000 0.620 186 A CB -0.503 18.464 19.000 -0.054 0.000 0.822 186 A HN 0.527 nan 8.150 nan 0.000 0.443 187 E N -0.888 119.241 120.200 -0.119 0.000 2.216 187 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 187 E C 1.986 178.431 176.600 -0.258 0.000 0.988 187 E CA 0.622 56.933 56.400 -0.149 0.000 0.834 187 E CB -0.137 29.486 29.700 -0.128 0.000 0.772 187 E HN 0.649 nan 8.360 nan 0.000 0.479 188 M N 0.107 119.510 119.600 -0.330 0.000 2.229 188 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 188 M C 2.367 178.513 176.300 -0.256 0.000 1.063 188 M CA 1.114 56.102 55.300 -0.520 0.000 1.114 188 M CB -0.088 32.259 32.600 -0.421 0.000 1.387 188 M HN 0.160 nan 8.290 nan 0.000 0.420 189 A N 0.180 122.924 122.820 -0.126 0.000 1.978 189 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 189 A C 2.113 179.683 177.584 -0.024 0.000 1.170 189 A CA 2.172 54.183 52.037 -0.043 0.000 0.636 189 A CB -0.998 17.976 19.000 -0.043 0.000 0.810 189 A HN 0.581 nan 8.150 nan 0.000 0.448 190 T N -2.775 111.739 114.554 -0.066 0.000 3.145 190 T HA 0.390 4.740 4.350 -0.000 0.000 0.255 190 T C 0.211 174.896 174.700 -0.025 0.000 1.039 190 T CA 0.009 62.093 62.100 -0.026 0.000 0.928 190 T CB -0.603 68.246 68.868 -0.031 0.000 1.029 190 T HN -0.014 nan 8.240 nan 0.000 0.554 191 V N 3.664 123.516 119.914 -0.104 0.000 2.740 191 V HA 0.355 4.475 4.120 -0.000 0.000 0.303 191 V C 1.203 177.415 176.094 0.197 0.000 1.054 191 V CA -0.075 62.171 62.300 -0.090 0.000 1.106 191 V CB 0.770 32.305 31.823 -0.481 0.000 0.957 191 V HN 0.753 nan 8.190 nan 0.000 0.486 192 T N 2.241 116.915 114.554 0.201 0.000 2.929 192 T HA 0.410 4.760 4.350 -0.000 0.000 0.284 192 T C -1.903 172.940 174.700 0.238 0.000 1.014 192 T CA -2.106 60.111 62.100 0.195 0.000 1.051 192 T CB 1.847 70.755 68.868 0.068 0.000 1.028 192 T HN 0.412 nan 8.240 nan 0.000 0.485 193 P HA -0.114 nan 4.420 nan 0.000 0.219 193 P C 1.463 178.766 177.300 0.006 0.000 1.146 193 P CA 0.881 63.819 63.100 -0.271 0.000 0.808 193 P CB 0.115 31.412 31.700 -0.672 0.000 0.779 194 E N -0.019 120.178 120.200 -0.005 0.000 2.106 194 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 194 E C 1.953 178.586 176.600 0.054 0.000 0.984 194 E CA 0.986 57.396 56.400 0.017 0.000 0.806 194 E CB -0.972 28.730 29.700 0.003 0.000 0.750 194 E HN 0.310 nan 8.360 nan 0.000 0.458 195 R N 1.003 121.558 120.500 0.093 0.000 2.357 195 R HA 0.050 4.390 4.340 -0.000 0.000 0.202 195 R C 0.906 177.272 176.300 0.110 0.000 1.047 195 R CA 0.757 56.920 56.100 0.105 0.000 1.034 195 R CB 0.029 30.415 30.300 0.142 0.000 0.875 195 R HN 0.130 nan 8.270 nan 0.000 0.473 196 A N 0.464 123.372 122.820 0.146 0.000 2.637 196 A HA 0.270 4.590 4.320 -0.000 0.000 0.293 196 A C -0.498 177.132 177.584 0.076 0.000 1.216 196 A CA -0.421 51.684 52.037 0.114 0.000 0.956 196 A CB 0.529 19.709 19.000 0.300 0.000 1.174 196 A HN 0.088 nan 8.150 nan 0.000 0.525 197 V N -1.198 118.740 119.914 0.041 0.000 2.525 197 V HA 0.648 4.767 4.120 -0.000 0.000 0.299 197 V C -0.596 175.496 176.094 -0.003 0.000 1.034 197 V CA -0.683 61.632 62.300 0.024 0.000 0.863 197 V CB 1.067 32.906 31.823 0.027 0.000 0.999 197 V HN 0.518 nan 8.190 nan 0.000 0.423 206 A N -0.644 122.191 122.820 0.026 0.000 2.459 206 A HA 0.736 5.056 4.320 -0.000 0.000 0.296 206 A C 0.364 177.984 177.584 0.061 0.000 1.039 206 A CA 0.432 52.490 52.037 0.035 0.000 0.698 206 A CB 2.041 21.057 19.000 0.027 0.000 1.261 206 A HN 1.006 nan 8.150 nan 0.000 0.405 207 K N 2.626 123.061 120.400 0.058 0.000 2.044 207 K HA 0.127 4.447 4.320 -0.000 0.000 0.204 207 K C 1.347 177.992 176.600 0.076 0.000 1.045 207 K CA 1.739 58.071 56.287 0.076 0.000 0.951 207 K CB -0.505 32.029 32.500 0.057 0.000 0.738 207 K HN 0.695 nan 8.250 nan 0.000 0.443 208 I N 1.246 121.848 120.570 0.053 0.000 2.181 208 I HA -0.389 3.781 4.170 -0.000 0.000 0.247 208 I C 1.981 178.127 176.117 0.049 0.000 1.081 208 I CA 1.651 62.977 61.300 0.043 0.000 1.340 208 I CB -0.423 37.593 38.000 0.026 0.000 1.036 208 I HN 0.194 nan 8.210 nan 0.000 0.417 209 S N 0.580 116.311 115.700 0.053 0.000 2.370 209 S HA -0.136 4.333 4.470 -0.000 0.000 0.226 209 S C 1.912 176.571 174.600 0.099 0.000 1.033 209 S CA 1.164 59.395 58.200 0.052 0.000 1.011 209 S CB -0.145 63.086 63.200 0.052 0.000 0.852 209 S HN 0.308 nan 8.310 nan 0.000 0.457 210 I N 1.766 122.430 120.570 0.157 0.000 2.286 210 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 210 I C 1.817 178.040 176.117 0.178 0.000 1.104 210 I CA 1.194 62.637 61.300 0.239 0.000 1.397 210 I CB -1.445 36.722 38.000 0.278 0.000 1.072 210 I HN 0.155 nan 8.210 nan 0.000 0.417 211 D N 0.329 120.795 120.400 0.111 0.000 2.218 211 D HA -0.136 4.504 4.640 -0.000 0.000 0.204 211 D C 2.389 178.732 176.300 0.071 0.000 0.976 211 D CA 1.074 55.120 54.000 0.078 0.000 0.853 211 D CB 0.086 40.919 40.800 0.056 0.000 0.939 211 D HN 0.148 nan 8.370 nan 0.000 0.481 212 S N -0.572 115.166 115.700 0.062 0.000 2.371 212 S HA -0.035 4.435 4.470 -0.000 0.000 0.224 212 S C 1.991 176.615 174.600 0.040 0.000 1.029 212 S CA 1.171 59.383 58.200 0.019 0.000 0.978 212 S CB -0.067 63.125 63.200 -0.013 0.000 0.833 212 S HN 0.225 nan 8.310 nan 0.000 0.466 213 A N 0.718 123.616 122.820 0.130 0.000 1.930 213 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 213 A C 2.352 180.310 177.584 0.624 0.000 1.175 213 A CA 2.074 54.278 52.037 0.279 0.000 0.627 213 A CB -1.282 17.910 19.000 0.322 0.000 0.815 213 A HN 0.734 nan 8.150 nan 0.000 0.443 214 T N -4.776 110.053 114.554 0.458 0.000 3.100 214 T HA 0.216 4.566 4.350 -0.000 0.000 0.253 214 T C 0.853 175.740 174.700 0.311 0.000 1.118 214 T CA 0.769 63.087 62.100 0.365 0.000 1.058 214 T CB -0.448 68.428 68.868 0.012 0.000 0.953 214 T HN 0.445 nan 8.240 nan 0.000 0.515 215 M N -1.286 118.396 119.600 0.137 0.000 2.872 215 M HA -0.196 4.284 4.480 -0.000 0.000 0.200 215 M C 0.952 177.266 176.300 0.024 0.000 0.582 215 M CA 0.695 55.984 55.300 -0.018 0.000 0.706 215 M CB -1.608 30.879 32.600 -0.187 0.000 2.560 215 M HN 0.426 nan 8.290 nan 0.000 0.476 216 M N 1.873 121.503 119.600 0.050 0.000 2.254 216 M HA -0.053 4.427 4.480 -0.000 0.000 0.265 216 M C 1.789 178.111 176.300 0.037 0.000 1.066 216 M CA 2.590 57.916 55.300 0.042 0.000 1.123 216 M CB -0.356 32.265 32.600 0.035 0.000 1.388 216 M HN 0.511 nan 8.290 nan 0.000 0.425 217 N N -0.314 118.405 118.700 0.032 0.000 2.205 217 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 217 N C 1.221 176.749 175.510 0.030 0.000 1.015 217 N CA 1.402 54.471 53.050 0.031 0.000 0.862 217 N CB -0.662 37.837 38.487 0.019 0.000 0.986 217 N HN 0.285 nan 8.380 nan 0.000 0.429 218 K N 0.206 120.614 120.400 0.013 0.000 2.305 218 K HA 0.144 4.464 4.320 -0.000 0.000 0.199 218 K C 2.036 178.662 176.600 0.043 0.000 1.047 218 K CA 0.817 57.114 56.287 0.017 0.000 0.976 218 K CB -0.640 31.849 32.500 -0.018 0.000 0.765 218 K HN 0.429 nan 8.250 nan 0.000 0.474 219 G N 1.289 110.116 108.800 0.045 0.000 2.394 219 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.214 219 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.214 219 G C 1.648 176.581 174.900 0.055 0.000 1.176 219 G CA 0.253 45.386 45.100 0.055 0.000 0.786 219 G HN 0.139 nan 8.290 nan 0.000 0.533 220 L N 0.231 121.489 121.223 0.060 0.000 2.012 220 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 220 L C 2.858 179.795 176.870 0.110 0.000 1.073 220 L CA 1.504 56.387 54.840 0.073 0.000 0.748 220 L CB -0.556 41.544 42.059 0.068 0.000 0.891 220 L HN 0.274 nan 8.230 nan 0.000 0.431 221 E N 0.051 120.328 120.200 0.128 0.000 2.110 221 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 221 E C 2.105 178.853 176.600 0.246 0.000 0.988 221 E CA 1.149 57.681 56.400 0.220 0.000 0.804 221 E CB -0.174 29.575 29.700 0.081 0.000 0.745 221 E HN 0.275 nan 8.360 nan 0.000 0.458 222 L N 1.059 122.351 121.223 0.114 0.000 2.046 222 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 222 L C 1.951 178.775 176.870 -0.077 0.000 1.077 222 L CA 1.532 56.382 54.840 0.016 0.000 0.747 222 L CB -0.225 41.835 42.059 0.002 0.000 0.896 222 L HN 0.099 nan 8.230 nan 0.000 0.432 223 I N -0.118 120.451 120.570 -0.002 0.000 2.142 223 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 223 I C 2.434 178.608 176.117 0.096 0.000 1.078 223 I CA 1.723 63.036 61.300 0.021 0.000 1.343 223 I CB -0.586 37.461 38.000 0.077 0.000 1.046 223 I HN 0.362 nan 8.210 nan 0.000 0.405 224 E N 1.622 121.884 120.200 0.103 0.000 2.085 224 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 224 E C 2.316 178.832 176.600 -0.141 0.000 0.994 224 E CA 1.411 57.807 56.400 -0.006 0.000 0.801 224 E CB -0.395 29.236 29.700 -0.115 0.000 0.743 224 E HN 0.549 nan 8.360 nan 0.000 0.453 225 A N 1.624 124.470 122.820 0.043 0.000 1.902 225 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 225 A C 2.029 179.658 177.584 0.076 0.000 1.181 225 A CA 1.244 53.414 52.037 0.223 0.000 0.623 225 A CB -0.808 18.532 19.000 0.567 0.000 0.818 225 A HN 0.342 nan 8.150 nan 0.000 0.443 226 F N 0.739 120.449 119.950 -0.400 0.000 2.126 226 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 226 F C 2.126 177.778 175.800 -0.247 0.000 1.096 226 F CA 2.311 60.059 58.000 -0.418 0.000 1.255 226 F CB -0.708 37.951 39.000 -0.568 0.000 0.997 226 F HN 0.439 nan 8.300 nan 0.000 0.479 227 H N -0.449 118.412 119.070 -0.348 0.000 2.363 227 H HA -0.022 4.534 4.556 -0.000 0.000 0.301 227 H C 2.309 177.377 175.328 -0.433 0.000 1.074 227 H CA 1.735 57.522 56.048 -0.434 0.000 1.354 227 H CB -0.256 29.349 29.762 -0.262 0.000 1.397 227 H HN 0.270 nan 8.280 nan 0.000 0.516 228 L N -0.654 120.326 121.223 -0.405 0.000 2.056 228 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 228 L C 1.183 177.534 176.870 -0.865 0.000 1.078 228 L CA 1.164 55.562 54.840 -0.736 0.000 0.749 228 L CB -0.124 41.221 42.059 -1.190 0.000 0.901 228 L HN 0.275 nan 8.230 nan 0.000 0.433 229 F N -1.312 118.535 119.950 -0.173 0.000 2.731 229 F HA 0.139 4.666 4.527 -0.000 0.000 0.298 229 F C 0.842 176.559 175.800 -0.138 0.000 1.106 229 F CA -0.557 57.261 58.000 -0.303 0.000 1.329 229 F CB -0.324 38.430 39.000 -0.410 0.000 1.100 229 F HN -0.007 nan 8.300 nan 0.000 0.592 230 Q N 1.014 120.775 119.800 -0.065 0.000 2.453 230 Q HA -0.202 4.138 4.340 -0.000 0.000 0.330 230 Q C -0.579 175.472 176.000 0.086 0.000 1.417 230 Q CA 0.416 56.147 55.803 -0.120 0.000 0.902 230 Q CB -1.670 27.004 28.738 -0.107 0.000 1.154 230 Q HN 0.447 nan 8.270 nan 0.000 0.395 231 I N -0.007 120.723 120.570 0.265 0.000 2.608 231 I HA 0.373 4.543 4.170 -0.000 0.000 0.295 231 I C -2.133 174.290 176.117 0.510 0.000 1.049 231 I CA -2.678 58.818 61.300 0.326 0.000 1.063 231 I CB 2.128 40.273 38.000 0.242 0.000 1.248 231 I HN -0.098 nan 8.210 nan 0.000 0.424 232 P HA 0.012 nan 4.420 nan 0.000 0.261 232 P C 0.827 178.357 177.300 0.383 0.000 1.173 232 P CA 0.278 63.567 63.100 0.315 0.000 0.760 232 P CB 0.496 32.292 31.700 0.160 0.000 0.783 233 L N 2.977 124.353 121.223 0.254 0.000 2.051 233 L HA -0.249 4.091 4.340 -0.000 0.000 0.214 233 L C 2.191 179.207 176.870 0.244 0.000 1.076 233 L CA 1.619 56.565 54.840 0.176 0.000 0.758 233 L CB -0.673 41.283 42.059 -0.172 0.000 0.890 233 L HN 0.526 nan 8.230 nan 0.000 0.433 234 E N 0.389 120.668 120.200 0.130 0.000 2.463 234 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 234 E C 1.348 178.000 176.600 0.086 0.000 1.045 234 E CA 0.909 57.361 56.400 0.086 0.000 0.872 234 E CB -0.268 29.456 29.700 0.040 0.000 0.797 234 E HN 0.551 nan 8.360 nan 0.000 0.538 235 K N -0.018 120.443 120.400 0.103 0.000 2.379 235 K HA 0.163 4.483 4.320 -0.000 0.000 0.194 235 K C -0.065 176.449 176.600 -0.144 0.000 1.031 235 K CA -0.120 56.138 56.287 -0.049 0.000 1.037 235 K CB 0.218 32.639 32.500 -0.132 0.000 0.824 235 K HN 0.000 nan 8.250 nan 0.000 0.516 236 F N 1.902 121.897 119.950 0.075 0.000 2.384 236 F HA 0.219 4.746 4.527 -0.000 0.000 0.338 236 F C 0.445 176.291 175.800 0.076 0.000 1.103 236 F CA -0.340 57.714 58.000 0.089 0.000 1.157 236 F CB 1.013 40.083 39.000 0.117 0.000 1.167 236 F HN -0.175 nan 8.300 nan 0.000 0.529 237 E N 2.545 122.887 120.200 0.237 0.000 2.340 237 E HA 0.533 4.882 4.350 -0.000 0.000 0.273 237 E C -1.259 175.456 176.600 0.193 0.000 0.891 237 E CA -0.814 55.696 56.400 0.183 0.000 0.757 237 E CB 3.019 32.783 29.700 0.108 0.000 1.231 237 E HN 0.409 nan 8.360 nan 0.000 0.439 238 I N 2.805 123.490 120.570 0.191 0.000 2.362 238 I HA 0.290 4.460 4.170 -0.000 0.000 0.289 238 I C -1.090 175.099 176.117 0.120 0.000 0.994 238 I CA -0.803 60.585 61.300 0.147 0.000 1.158 238 I CB 1.194 39.267 38.000 0.121 0.000 1.315 238 I HN 0.198 nan 8.210 nan 0.000 0.451 239 L N 8.082 129.375 121.223 0.116 0.000 2.333 239 L HA 0.515 4.855 4.340 -0.000 0.000 0.280 239 L C -0.635 176.323 176.870 0.146 0.000 1.004 239 L CA -0.476 54.446 54.840 0.137 0.000 0.820 239 L CB 1.815 43.967 42.059 0.155 0.000 1.247 239 L HN 0.254 nan 8.230 nan 0.000 0.416 240 V N 4.753 124.739 119.914 0.119 0.000 2.488 240 V HA 0.242 4.362 4.120 -0.000 0.000 0.277 240 V C -0.680 175.508 176.094 0.157 0.000 1.046 240 V CA -0.231 62.116 62.300 0.079 0.000 0.986 240 V CB 0.630 32.459 31.823 0.010 0.000 0.989 240 V HN 0.853 nan 8.190 nan 0.000 0.475 241 H N 6.913 125.973 119.070 -0.016 0.000 2.974 241 H HA 0.399 4.955 4.556 -0.000 0.000 0.285 241 H C -2.483 172.766 175.328 -0.131 0.000 1.227 241 H CA -1.797 54.174 56.048 -0.127 0.000 1.569 241 H CB 2.061 31.797 29.762 -0.044 0.000 1.648 241 H HN 0.291 nan 8.280 nan 0.000 0.521 242 P HA -0.233 nan 4.420 nan 0.000 0.217 242 P C 1.187 178.222 177.300 -0.442 0.000 1.162 242 P CA 1.553 64.464 63.100 -0.316 0.000 0.901 242 P CB 0.442 32.016 31.700 -0.211 0.000 0.793 243 Q N -1.107 118.317 119.800 -0.628 0.000 2.234 243 Q HA -0.057 4.283 4.340 -0.000 0.000 0.206 243 Q C 1.012 176.751 176.000 -0.435 0.000 0.980 243 Q CA 1.236 56.756 55.803 -0.473 0.000 0.869 243 Q CB -1.004 27.537 28.738 -0.330 0.000 0.912 243 Q HN 0.057 nan 8.270 nan 0.000 0.436 244 S N -1.546 113.733 115.700 -0.701 0.000 3.587 244 S HA -0.155 4.315 4.470 -0.000 0.000 0.337 244 S C 0.884 175.533 174.600 0.080 0.000 1.119 244 S CA 0.551 58.656 58.200 -0.158 0.000 0.976 244 S CB -1.833 61.334 63.200 -0.055 0.000 0.922 244 S HN 0.448 nan 8.310 nan 0.000 0.503 245 V N -2.325 117.685 119.914 0.160 0.000 2.825 245 V HA 0.345 4.465 4.120 -0.000 0.000 0.246 245 V C 0.889 176.883 176.094 -0.167 0.000 1.068 245 V CA 0.639 62.944 62.300 0.008 0.000 1.088 245 V CB -0.142 31.669 31.823 -0.020 0.000 0.733 245 V HN 0.554 nan 8.190 nan 0.000 0.468 246 I N 1.758 122.383 120.570 0.090 0.000 2.312 246 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 246 I C 1.087 177.248 176.117 0.075 0.000 1.031 246 I CA -0.374 60.903 61.300 -0.038 0.000 1.293 246 I CB 0.959 38.933 38.000 -0.042 0.000 1.403 246 I HN 0.219 nan 8.210 nan 0.000 0.484 247 H N 3.645 122.791 119.070 0.125 0.000 2.551 247 H HA 0.310 4.866 4.556 -0.000 0.000 0.266 247 H C 0.208 175.589 175.328 0.088 0.000 0.977 247 H CA -0.041 56.069 56.048 0.103 0.000 1.163 247 H CB 0.498 30.308 29.762 0.081 0.000 1.381 247 H HN 0.574 nan 8.280 nan 0.000 0.581 248 S N -0.863 114.946 115.700 0.181 0.000 2.716 248 S HA 0.259 4.729 4.470 -0.000 0.000 0.277 248 S C -1.195 173.458 174.600 0.088 0.000 0.874 248 S CA -0.788 57.488 58.200 0.127 0.000 1.049 248 S CB 0.557 63.831 63.200 0.123 0.000 1.319 248 S HN 0.139 nan 8.310 nan 0.000 0.457 249 M N 1.389 121.024 119.600 0.058 0.000 2.618 249 M HA 0.745 5.225 4.480 -0.000 0.000 0.281 249 M C -1.536 174.770 176.300 0.010 0.000 1.267 249 M CA -0.892 54.427 55.300 0.032 0.000 0.845 249 M CB 2.258 34.860 32.600 0.003 0.000 1.732 249 M HN 0.337 nan 8.290 nan 0.000 0.461 250 V N 0.707 120.634 119.914 0.020 0.000 2.532 250 V HA 0.309 4.429 4.120 -0.000 0.000 0.294 250 V C -0.939 175.187 176.094 0.053 0.000 1.036 250 V CA -0.609 61.681 62.300 -0.016 0.000 0.876 250 V CB 1.755 33.568 31.823 -0.017 0.000 1.012 250 V HN 0.854 nan 8.190 nan 0.000 0.432 251 E N 3.538 123.723 120.200 -0.025 0.000 2.227 251 E HA 0.476 4.826 4.350 -0.000 0.000 0.282 251 E C -1.337 175.264 176.600 0.002 0.000 1.015 251 E CA -0.463 55.961 56.400 0.039 0.000 0.823 251 E CB 0.964 30.651 29.700 -0.022 0.000 1.081 251 E HN 0.569 nan 8.360 nan 0.000 0.396 252 Y N 2.776 123.003 120.300 -0.121 0.000 2.392 252 Y HA 0.113 4.663 4.550 -0.000 0.000 0.323 252 Y C 1.369 177.201 175.900 -0.114 0.000 1.291 252 Y CA -0.572 57.452 58.100 -0.127 0.000 1.345 252 Y CB 0.615 38.992 38.460 -0.139 0.000 1.320 252 Y HN 0.554 nan 8.280 nan 0.000 0.518 253 L N 0.286 121.513 121.223 0.007 0.000 2.261 253 L HA -0.189 4.151 4.340 -0.000 0.000 0.216 253 L C 0.938 177.788 176.870 -0.033 0.000 1.114 253 L CA 1.611 56.429 54.840 -0.037 0.000 0.777 253 L CB -0.491 41.526 42.059 -0.070 0.000 0.910 253 L HN 0.690 nan 8.230 nan 0.000 0.440 254 D N -1.120 119.265 120.400 -0.024 0.000 2.319 254 D HA 0.127 4.767 4.640 -0.000 0.000 0.230 254 D C 1.440 177.719 176.300 -0.034 0.000 1.094 254 D CA 0.630 54.604 54.000 -0.043 0.000 0.856 254 D CB 0.301 41.060 40.800 -0.068 0.000 0.915 254 D HN 0.223 nan 8.370 nan 0.000 0.517 255 G N -0.176 108.614 108.800 -0.017 0.000 2.241 255 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.244 255 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.244 255 G C 0.467 175.353 174.900 -0.023 0.000 0.998 255 G CA 0.175 45.262 45.100 -0.023 0.000 0.621 255 G HN 0.627 nan 8.290 nan 0.000 0.519 256 S N 0.745 116.427 115.700 -0.028 0.000 2.498 256 S HA 0.550 5.020 4.470 -0.000 0.000 0.281 256 S C 0.472 175.057 174.600 -0.025 0.000 1.265 256 S CA -0.334 57.827 58.200 -0.066 0.000 1.071 256 S CB -0.072 63.039 63.200 -0.148 0.000 0.894 256 S HN 0.450 nan 8.310 nan 0.000 0.491 257 I N 6.042 126.588 120.570 -0.040 0.000 2.339 257 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 257 I C -0.382 175.715 176.117 -0.032 0.000 0.994 257 I CA -0.595 60.702 61.300 -0.005 0.000 1.191 257 I CB 1.359 39.341 38.000 -0.029 0.000 1.343 257 I HN 0.433 nan 8.210 nan 0.000 0.458 258 L N 6.203 127.429 121.223 0.005 0.000 2.289 258 L HA 0.754 5.094 4.340 -0.000 0.000 0.285 258 L C 0.122 177.011 176.870 0.031 0.000 1.049 258 L CA -0.396 54.439 54.840 -0.008 0.000 0.804 258 L CB 1.537 43.588 42.059 -0.013 0.000 1.195 258 L HN 0.676 nan 8.230 nan 0.000 0.428 259 A N 3.298 126.132 122.820 0.024 0.000 2.401 259 A HA 0.589 4.909 4.320 -0.000 0.000 0.310 259 A C -1.127 176.493 177.584 0.060 0.000 1.075 259 A CA -0.561 51.500 52.037 0.039 0.000 0.746 259 A CB 2.034 21.044 19.000 0.017 0.000 1.277 259 A HN 0.583 nan 8.150 nan 0.000 0.425 260 Q N 1.842 121.689 119.800 0.079 0.000 2.325 260 Q HA 0.622 4.962 4.340 -0.000 0.000 0.262 260 Q C -1.377 174.640 176.000 0.029 0.000 0.968 260 Q CA -0.065 55.796 55.803 0.096 0.000 0.877 260 Q CB 0.801 29.627 28.738 0.148 0.000 1.253 260 Q HN 0.684 nan 8.270 nan 0.000 0.448 261 I N 1.381 121.954 120.570 0.006 0.000 3.002 261 I HA 0.867 5.037 4.170 -0.000 0.000 0.310 261 I C 0.375 176.440 176.117 -0.087 0.000 1.087 261 I CA -0.896 60.325 61.300 -0.131 0.000 1.017 261 I CB 2.567 40.592 38.000 0.040 0.000 1.226 261 I HN 0.732 nan 8.210 nan 0.000 0.443 262 G N 1.439 110.120 108.800 -0.198 0.000 2.341 262 G HA2 0.262 4.222 3.960 -0.000 0.000 0.293 262 G HA3 0.262 4.222 3.960 -0.000 0.000 0.293 262 G C -1.057 173.872 174.900 0.048 0.000 1.298 262 G CA -0.282 44.813 45.100 -0.010 0.000 0.868 262 G HN 0.782 nan 8.290 nan 0.000 0.540 263 S N -0.009 115.740 115.700 0.082 0.000 2.608 263 S HA 0.570 5.039 4.470 -0.000 0.000 0.261 263 S C -1.030 173.660 174.600 0.151 0.000 1.314 263 S CA -0.032 58.212 58.200 0.074 0.000 0.992 263 S CB 1.721 64.944 63.200 0.040 0.000 0.935 263 S HN 0.627 nan 8.310 nan 0.000 0.564 264 P HA 0.107 nan 4.420 nan 0.000 0.249 264 P C -0.234 177.077 177.300 0.020 0.000 1.229 264 P CA 0.029 63.158 63.100 0.049 0.000 0.788 264 P CB -0.223 31.493 31.700 0.027 0.000 1.072 265 D N 0.995 121.419 120.400 0.039 0.000 2.412 265 D HA -0.007 4.632 4.640 -0.000 0.000 0.257 265 D C 1.325 177.645 176.300 0.033 0.000 1.217 265 D CA 0.071 54.093 54.000 0.036 0.000 0.897 265 D CB 0.724 41.551 40.800 0.045 0.000 1.132 265 D HN -0.153 nan 8.370 nan 0.000 0.493 266 M N 3.714 123.330 119.600 0.026 0.000 2.446 266 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 266 M C 1.731 178.062 176.300 0.052 0.000 1.066 266 M CA 0.945 56.262 55.300 0.029 0.000 1.087 266 M CB -0.506 32.111 32.600 0.030 0.000 1.406 266 M HN 0.396 nan 8.290 nan 0.000 0.459 267 R N -1.112 119.421 120.500 0.055 0.000 2.237 267 R HA -0.057 4.282 4.340 -0.000 0.000 0.219 267 R C 1.977 178.324 176.300 0.078 0.000 1.080 267 R CA 1.211 57.347 56.100 0.060 0.000 0.995 267 R CB -0.323 30.007 30.300 0.049 0.000 0.875 267 R HN 0.347 nan 8.270 nan 0.000 0.462 268 T N 1.420 116.025 114.554 0.086 0.000 2.639 268 T HA -0.060 4.290 4.350 -0.000 0.000 0.261 268 T C -1.024 173.765 174.700 0.149 0.000 1.053 268 T CA 1.115 63.283 62.100 0.114 0.000 1.158 268 T CB -0.840 68.098 68.868 0.117 0.000 0.863 268 T HN 0.225 nan 8.240 nan 0.000 0.413 269 P HA 0.061 nan 4.420 nan 0.000 0.218 269 P C 1.501 178.919 177.300 0.196 0.000 1.149 269 P CA 1.013 64.208 63.100 0.158 0.000 0.817 269 P CB -0.222 31.531 31.700 0.089 0.000 0.785 270 I N -0.141 120.516 120.570 0.145 0.000 2.315 270 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 270 I C 2.667 178.866 176.117 0.136 0.000 1.117 270 I CA 1.581 62.972 61.300 0.152 0.000 1.404 270 I CB -1.135 36.934 38.000 0.115 0.000 1.071 270 I HN -0.013 nan 8.210 nan 0.000 0.419 271 G N -0.155 108.714 108.800 0.116 0.000 2.422 271 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 271 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 271 G C 1.458 176.432 174.900 0.124 0.000 1.140 271 G CA 1.062 46.212 45.100 0.083 0.000 0.775 271 G HN 0.429 nan 8.290 nan 0.000 0.545 272 H N 1.306 120.446 119.070 0.116 0.000 2.270 272 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 272 H C 2.796 178.242 175.328 0.195 0.000 1.077 272 H CA 2.844 58.992 56.048 0.166 0.000 1.294 272 H CB -0.531 29.336 29.762 0.176 0.000 1.371 272 H HN 0.301 nan 8.280 nan 0.000 0.491 273 T N -1.308 113.296 114.554 0.085 0.000 2.881 273 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 273 T C 2.013 176.877 174.700 0.273 0.000 1.068 273 T CA 1.228 63.393 62.100 0.108 0.000 1.131 273 T CB -0.505 68.489 68.868 0.211 0.000 0.871 273 T HN 0.269 nan 8.240 nan 0.000 0.479 274 L N 0.963 122.216 121.223 0.050 0.000 2.179 274 L HA 0.479 4.819 4.340 -0.000 0.000 0.208 274 L C 2.582 179.274 176.870 -0.298 0.000 1.096 274 L CA 1.465 56.020 54.840 -0.474 0.000 0.779 274 L CB -0.821 40.882 42.059 -0.594 0.000 0.922 274 L HN 0.358 nan 8.230 nan 0.000 0.443 275 A N -2.023 120.754 122.820 -0.071 0.000 2.115 275 A HA 0.010 4.330 4.320 -0.000 0.000 0.211 275 A C 0.695 178.301 177.584 0.037 0.000 1.169 275 A CA -0.424 51.607 52.037 -0.010 0.000 0.787 275 A CB -0.872 18.132 19.000 0.007 0.000 0.858 275 A HN 0.470 nan 8.150 nan 0.000 0.474 276 W N 2.626 123.841 121.300 -0.142 0.000 2.480 276 W HA 0.040 4.700 4.660 -0.000 0.000 0.337 276 W C -1.368 175.143 176.519 -0.014 0.000 1.201 276 W CA -0.009 57.267 57.345 -0.115 0.000 1.309 276 W CB 0.732 30.068 29.460 -0.207 0.000 1.168 276 W HN 0.160 nan 8.180 nan 0.000 0.566 277 P HA -0.038 nan 4.420 nan 0.000 0.245 277 P C -0.528 176.480 177.300 -0.486 0.000 1.212 277 P CA 0.988 63.343 63.100 -1.242 0.000 0.774 277 P CB 0.245 31.186 31.700 -1.266 0.000 0.999 278 K N 0.139 120.397 120.400 -0.237 0.000 2.148 278 K HA 0.429 4.749 4.320 -0.000 0.000 0.239 278 K C 0.619 177.198 176.600 -0.035 0.000 1.018 278 K CA -0.791 55.428 56.287 -0.113 0.000 0.923 278 K CB 1.051 33.502 32.500 -0.081 0.000 1.117 278 K HN -0.157 nan 8.250 nan 0.000 0.477 279 R N 0.996 121.498 120.500 0.003 0.000 2.778 279 R HA 0.504 4.844 4.340 -0.000 0.000 0.277 279 R C -0.270 176.051 176.300 0.034 0.000 0.977 279 R CA -0.673 55.458 56.100 0.051 0.000 0.950 279 R CB 1.753 32.099 30.300 0.076 0.000 1.165 279 R HN 0.773 nan 8.270 nan 0.000 0.474 280 M N -1.139 118.491 119.600 0.049 0.000 2.593 280 M HA 0.526 5.006 4.480 -0.000 0.000 0.290 280 M C -0.586 175.741 176.300 0.045 0.000 1.244 280 M CA -0.949 54.371 55.300 0.035 0.000 0.857 280 M CB 2.380 34.998 32.600 0.031 0.000 1.738 280 M HN 0.096 nan 8.290 nan 0.000 0.461 281 E N 2.381 122.601 120.200 0.034 0.000 2.373 281 E HA 0.371 4.721 4.350 -0.000 0.000 0.267 281 E C -0.586 176.037 176.600 0.039 0.000 1.032 281 E CA 0.440 56.862 56.400 0.036 0.000 0.889 281 E CB 1.509 31.224 29.700 0.025 0.000 0.984 281 E HN 0.772 nan 8.360 nan 0.000 0.425 282 T N -0.891 113.689 114.554 0.044 0.000 2.916 282 T HA 0.346 4.696 4.350 -0.000 0.000 0.305 282 T C -2.138 172.586 174.700 0.040 0.000 1.119 282 T CA -1.549 60.576 62.100 0.042 0.000 1.008 282 T CB 1.901 70.800 68.868 0.052 0.000 1.129 282 T HN 0.130 nan 8.240 nan 0.000 0.480 283 P HA 0.152 nan 4.420 nan 0.000 0.236 283 P C 0.724 178.046 177.300 0.036 0.000 1.172 283 P CA 0.010 63.129 63.100 0.032 0.000 0.759 283 P CB -0.656 31.060 31.700 0.027 0.000 0.843 284 A N 0.934 123.780 122.820 0.044 0.000 2.587 284 A HA -0.078 4.242 4.320 -0.000 0.000 0.233 284 A C 0.512 178.123 177.584 0.044 0.000 1.049 284 A CA 0.064 52.130 52.037 0.049 0.000 0.754 284 A CB -0.314 18.723 19.000 0.063 0.000 0.977 284 A HN 0.261 nan 8.150 nan 0.000 0.509 285 E N 1.434 121.657 120.200 0.038 0.000 2.366 285 E HA 0.276 4.625 4.350 -0.000 0.000 0.266 285 E C -0.516 176.104 176.600 0.033 0.000 1.051 285 E CA -0.227 56.191 56.400 0.031 0.000 0.884 285 E CB 0.529 30.240 29.700 0.019 0.000 1.006 285 E HN 0.558 nan 8.360 nan 0.000 0.417 286 S N 3.961 119.682 115.700 0.034 0.000 2.416 286 S HA 0.147 4.617 4.470 -0.000 0.000 0.287 286 S C 0.096 174.706 174.600 0.017 0.000 1.139 286 S CA -0.482 57.745 58.200 0.045 0.000 1.058 286 S CB 0.223 63.460 63.200 0.062 0.000 0.967 286 S HN 0.479 nan 8.310 nan 0.000 0.495 287 L N 3.931 125.139 121.223 -0.025 0.000 2.667 287 L HA -0.037 4.303 4.340 -0.000 0.000 0.278 287 L C 0.322 177.112 176.870 -0.135 0.000 1.217 287 L CA 0.397 55.135 54.840 -0.170 0.000 0.935 287 L CB 0.289 42.116 42.059 -0.386 0.000 1.193 287 L HN 0.577 nan 8.230 nan 0.000 0.493 288 D N 5.054 125.386 120.400 -0.114 0.000 2.456 288 D HA 0.052 4.692 4.640 -0.000 0.000 0.219 288 D C 0.742 177.036 176.300 -0.010 0.000 1.126 288 D CA -0.297 53.710 54.000 0.010 0.000 0.890 288 D CB 0.612 41.420 40.800 0.014 0.000 1.025 288 D HN 0.350 nan 8.370 nan 0.000 0.511 289 F N 1.384 121.344 119.950 0.016 0.000 2.365 289 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 289 F C 2.487 178.295 175.800 0.014 0.000 1.090 289 F CA 0.683 58.693 58.000 0.016 0.000 1.408 289 F CB -0.251 38.759 39.000 0.017 0.000 1.060 289 F HN 0.304 nan 8.300 nan 0.000 0.534 290 T N -0.192 114.474 114.554 0.187 0.000 2.777 290 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 290 T C 1.900 176.639 174.700 0.066 0.000 1.040 290 T CA 1.159 63.324 62.100 0.108 0.000 1.141 290 T CB -0.117 68.798 68.868 0.079 0.000 0.868 290 T HN 0.251 nan 8.240 nan 0.000 0.444 291 K N 0.767 121.193 120.400 0.044 0.000 2.296 291 K HA 0.212 4.532 4.320 -0.000 0.000 0.200 291 K C 2.171 178.773 176.600 0.003 0.000 1.048 291 K CA 0.320 56.617 56.287 0.016 0.000 0.966 291 K CB -0.102 32.400 32.500 0.003 0.000 0.754 291 K HN 0.278 nan 8.250 nan 0.000 0.466 292 L N 0.445 121.668 121.223 -0.000 0.000 2.072 292 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 292 L C 1.402 178.282 176.870 0.018 0.000 1.079 292 L CA 1.248 56.078 54.840 -0.018 0.000 0.752 292 L CB 0.112 42.137 42.059 -0.057 0.000 0.906 292 L HN 0.165 nan 8.230 nan 0.000 0.436 293 R N -0.891 119.642 120.500 0.055 0.000 1.242 293 R HA -0.237 4.103 4.340 -0.000 0.000 0.031 293 R C 0.154 176.493 176.300 0.065 0.000 0.958 293 R CA 2.123 58.257 56.100 0.056 0.000 1.982 293 R CB -0.901 29.417 30.300 0.030 0.000 0.179 293 R HN 0.512 nan 8.270 nan 0.000 0.729 294 Q N -0.750 119.077 119.800 0.044 0.000 2.416 294 Q HA 0.742 5.082 4.340 -0.000 0.000 0.279 294 Q C -0.759 175.262 176.000 0.034 0.000 1.101 294 Q CA -0.800 55.029 55.803 0.042 0.000 0.830 294 Q CB 2.457 31.206 28.738 0.018 0.000 1.402 294 Q HN 0.229 nan 8.270 nan 0.000 0.445 295 M N 1.382 121.000 119.600 0.031 0.000 2.271 295 M HA 0.369 4.849 4.480 -0.000 0.000 0.285 295 M C -1.772 174.412 176.300 -0.193 0.000 1.059 295 M CA -0.561 54.724 55.300 -0.025 0.000 0.940 295 M CB 2.259 34.900 32.600 0.068 0.000 1.636 295 M HN 0.489 nan 8.290 nan 0.000 0.460 296 D N 2.597 122.790 120.400 -0.346 0.000 2.252 296 D HA 0.690 5.330 4.640 -0.000 0.000 0.245 296 D C -1.414 174.484 176.300 -0.670 0.000 1.009 296 D CA -0.012 53.783 54.000 -0.341 0.000 0.870 296 D CB 2.346 43.059 40.800 -0.145 0.000 1.251 296 D HN 0.288 nan 8.370 nan 0.000 0.460 297 F N 0.479 120.493 119.950 0.107 0.000 2.578 297 F HA 0.301 4.828 4.527 -0.000 0.000 0.311 297 F C 0.216 176.052 175.800 0.060 0.000 1.094 297 F CA -0.844 57.208 58.000 0.086 0.000 0.923 297 F CB 2.292 41.317 39.000 0.042 0.000 1.230 297 F HN 0.245 nan 8.300 nan 0.000 0.450 298 E N 1.177 121.513 120.200 0.226 0.000 2.423 298 E HA 0.794 5.144 4.350 -0.000 0.000 0.280 298 E C -1.795 174.879 176.600 0.124 0.000 1.030 298 E CA -1.456 55.030 56.400 0.142 0.000 0.812 298 E CB 1.877 31.632 29.700 0.091 0.000 1.313 298 E HN 0.667 nan 8.360 nan 0.000 0.456 299 A N 1.788 124.670 122.820 0.103 0.000 2.322 299 A HA 0.548 4.868 4.320 -0.000 0.000 0.269 299 A C -2.052 175.567 177.584 0.058 0.000 1.094 299 A CA -1.204 50.892 52.037 0.098 0.000 0.807 299 A CB -0.178 18.891 19.000 0.115 0.000 1.047 299 A HN 0.544 nan 8.150 nan 0.000 0.487 300 P HA 0.103 nan 4.420 nan 0.000 0.275 300 P C -1.033 176.197 177.300 -0.116 0.000 1.227 300 P CA -0.185 62.834 63.100 -0.135 0.000 0.781 300 P CB 0.787 32.302 31.700 -0.308 0.000 0.906 301 D N 2.103 122.488 120.400 -0.026 0.000 2.468 301 D HA 0.061 4.701 4.640 -0.000 0.000 0.218 301 D C 0.608 176.968 176.300 0.100 0.000 1.155 301 D CA -0.423 53.645 54.000 0.112 0.000 0.924 301 D CB -0.103 40.837 40.800 0.232 0.000 1.029 301 D HN 0.221 nan 8.370 nan 0.000 0.515 302 Y N 1.546 121.939 120.300 0.156 0.000 2.483 302 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 302 Y C 2.081 178.043 175.900 0.105 0.000 1.143 302 Y CA 0.936 59.115 58.100 0.131 0.000 1.289 302 Y CB 0.248 38.758 38.460 0.084 0.000 0.983 302 Y HN 0.454 nan 8.280 nan 0.000 0.556 303 E N -0.619 119.697 120.200 0.193 0.000 2.122 303 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 303 E C 2.008 178.616 176.600 0.013 0.000 0.977 303 E CA 0.392 56.851 56.400 0.098 0.000 0.820 303 E CB 0.010 29.754 29.700 0.074 0.000 0.770 303 E HN 0.400 nan 8.360 nan 0.000 0.462 304 R N -0.287 120.203 120.500 -0.017 0.000 2.240 304 R HA 0.076 4.416 4.340 -0.000 0.000 0.203 304 R C -0.098 175.819 176.300 -0.638 0.000 1.011 304 R CA 0.513 56.432 56.100 -0.301 0.000 1.007 304 R CB 0.362 30.472 30.300 -0.316 0.000 0.911 304 R HN 0.017 nan 8.270 nan 0.000 0.468 305 F N 0.530 120.489 119.950 0.015 0.000 2.769 305 F HA 0.292 4.819 4.527 -0.000 0.000 0.358 305 F C -1.741 174.066 175.800 0.012 0.000 1.285 305 F CA -2.298 55.706 58.000 0.005 0.000 1.199 305 F CB 1.750 40.740 39.000 -0.015 0.000 1.558 305 F HN -0.182 nan 8.300 nan 0.000 0.583 306 P HA -0.190 nan 4.420 nan 0.000 0.225 306 P C 1.486 178.853 177.300 0.113 0.000 1.148 306 P CA 1.232 64.399 63.100 0.111 0.000 0.779 306 P CB 0.339 32.065 31.700 0.043 0.000 0.780 307 A N 0.799 123.680 122.820 0.102 0.000 1.948 307 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 307 A C 2.378 180.025 177.584 0.105 0.000 1.177 307 A CA 1.454 53.539 52.037 0.080 0.000 0.636 307 A CB -1.615 17.429 19.000 0.073 0.000 0.815 307 A HN 0.174 nan 8.150 nan 0.000 0.449 308 L N -0.924 120.385 121.223 0.143 0.000 2.131 308 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 308 L C 2.657 179.681 176.870 0.257 0.000 1.092 308 L CA 1.701 56.651 54.840 0.184 0.000 0.759 308 L CB -0.842 41.286 42.059 0.116 0.000 0.903 308 L HN 0.362 nan 8.230 nan 0.000 0.435 309 T N -0.021 114.678 114.554 0.242 0.000 2.851 309 T HA -0.027 4.323 4.350 -0.000 0.000 0.262 309 T C 1.999 176.744 174.700 0.076 0.000 1.043 309 T CA 0.789 62.982 62.100 0.155 0.000 1.140 309 T CB -0.082 68.867 68.868 0.135 0.000 0.872 309 T HN 0.177 nan 8.240 nan 0.000 0.446 310 L N 0.938 122.202 121.223 0.069 0.000 2.046 310 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 310 L C 3.055 179.943 176.870 0.030 0.000 1.077 310 L CA 1.253 56.116 54.840 0.039 0.000 0.747 310 L CB -0.724 41.355 42.059 0.034 0.000 0.896 310 L HN 0.238 nan 8.230 nan 0.000 0.432 311 A N -0.041 122.806 122.820 0.044 0.000 1.877 311 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 311 A C 2.335 179.917 177.584 -0.003 0.000 1.186 311 A CA 1.699 53.752 52.037 0.028 0.000 0.620 311 A CB -0.477 18.550 19.000 0.045 0.000 0.822 311 A HN 0.306 nan 8.150 nan 0.000 0.443 312 M N -0.681 118.926 119.600 0.010 0.000 2.080 312 M HA -0.218 4.261 4.480 -0.000 0.000 0.260 312 M C 2.109 178.370 176.300 -0.065 0.000 1.068 312 M CA 2.002 57.282 55.300 -0.034 0.000 1.109 312 M CB -0.631 31.958 32.600 -0.018 0.000 1.342 312 M HN 0.515 nan 8.290 nan 0.000 0.405 313 E N -0.100 120.077 120.200 -0.037 0.000 2.031 313 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 313 E C 2.097 178.667 176.600 -0.050 0.000 0.994 313 E CA 1.633 58.008 56.400 -0.042 0.000 0.800 313 E CB -0.204 29.484 29.700 -0.020 0.000 0.752 313 E HN 0.398 nan 8.360 nan 0.000 0.447 314 S N 1.093 116.772 115.700 -0.035 0.000 2.365 314 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 314 S C 2.099 176.663 174.600 -0.059 0.000 1.039 314 S CA 1.253 59.434 58.200 -0.032 0.000 1.033 314 S CB -0.323 62.872 63.200 -0.009 0.000 0.887 314 S HN 0.222 nan 8.310 nan 0.000 0.447 315 I N 1.026 121.533 120.570 -0.104 0.000 2.315 315 I HA -0.158 4.011 4.170 -0.000 0.000 0.248 315 I C 2.472 178.445 176.117 -0.239 0.000 1.117 315 I CA 1.097 62.277 61.300 -0.199 0.000 1.404 315 I CB -0.347 37.439 38.000 -0.356 0.000 1.071 315 I HN 0.174 nan 8.210 nan 0.000 0.419 316 K N 1.168 121.452 120.400 -0.194 0.000 2.032 316 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 316 K C 2.349 178.887 176.600 -0.104 0.000 1.048 316 K CA 2.068 58.259 56.287 -0.159 0.000 0.927 316 K CB -0.468 31.965 32.500 -0.112 0.000 0.712 316 K HN 0.126 nan 8.250 nan 0.000 0.441 317 S N -1.288 114.367 115.700 -0.075 0.000 2.345 317 S HA 0.116 4.586 4.470 -0.000 0.000 0.220 317 S C 0.863 175.439 174.600 -0.039 0.000 1.031 317 S CA 1.377 59.548 58.200 -0.048 0.000 0.996 317 S CB -0.814 62.364 63.200 -0.038 0.000 0.882 317 S HN 0.752 nan 8.310 nan 0.000 0.445 318 G N -0.729 108.048 108.800 -0.038 0.000 2.587 318 G HA2 0.314 4.274 3.960 -0.000 0.000 0.212 318 G HA3 0.314 4.274 3.960 -0.000 0.000 0.212 318 G C 0.811 175.713 174.900 0.004 0.000 1.327 318 G CA -0.163 44.934 45.100 -0.004 0.000 0.898 318 G HN 1.693 nan 8.290 nan 0.000 0.551 319 G N -0.913 107.900 108.800 0.021 0.000 2.591 319 G HA2 0.153 4.113 3.960 -0.000 0.000 0.298 319 G HA3 0.153 4.113 3.960 -0.000 0.000 0.298 319 G C 1.591 176.486 174.900 -0.007 0.000 1.195 319 G CA 2.600 47.700 45.100 0.000 0.000 0.989 319 G HN 2.581 nan 8.290 nan 0.000 0.551 320 A N -0.091 122.704 122.820 -0.041 0.000 2.251 320 A HA 0.335 4.655 4.320 -0.000 0.000 0.209 320 A C 2.286 179.846 177.584 -0.040 0.000 1.187 320 A CA 1.434 53.441 52.037 -0.051 0.000 0.823 320 A CB -0.217 18.720 19.000 -0.104 0.000 0.846 320 A HN 0.516 nan 8.150 nan 0.000 0.486 321 R N 0.959 121.441 120.500 -0.030 0.000 2.132 321 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 321 R C -0.550 175.755 176.300 0.009 0.000 1.125 321 R CA 2.220 58.310 56.100 -0.016 0.000 0.914 321 R CB -2.127 28.163 30.300 -0.016 0.000 0.845 321 R HN 0.440 nan 8.270 nan 0.000 0.431 322 P HA -0.154 nan 4.420 nan 0.000 0.216 322 P C 1.146 178.469 177.300 0.039 0.000 1.153 322 P CA 2.049 65.171 63.100 0.038 0.000 0.858 322 P CB -0.196 31.544 31.700 0.068 0.000 0.789 323 A N -0.007 122.832 122.820 0.032 0.000 1.883 323 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 323 A C 2.548 180.167 177.584 0.058 0.000 1.186 323 A CA 2.263 54.321 52.037 0.035 0.000 0.624 323 A CB -1.688 17.324 19.000 0.019 0.000 0.822 323 A HN 0.098 nan 8.150 nan 0.000 0.444 324 V N -0.027 119.923 119.914 0.061 0.000 2.295 324 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 324 V C 2.608 178.754 176.094 0.085 0.000 1.049 324 V CA 2.277 64.640 62.300 0.106 0.000 1.024 324 V CB -0.776 31.108 31.823 0.103 0.000 0.648 324 V HN 0.752 nan 8.190 nan 0.000 0.447 325 M N 0.917 120.552 119.600 0.058 0.000 2.065 325 M HA -0.264 4.216 4.480 -0.000 0.000 0.259 325 M C 2.129 178.455 176.300 0.044 0.000 1.069 325 M CA 2.808 58.136 55.300 0.046 0.000 1.110 325 M CB -0.512 32.109 32.600 0.035 0.000 1.328 325 M HN 0.476 nan 8.290 nan 0.000 0.405 326 N N 0.411 119.138 118.700 0.045 0.000 2.069 326 N HA -0.122 4.618 4.740 -0.000 0.000 0.191 326 N C 1.672 177.209 175.510 0.046 0.000 1.031 326 N CA 2.380 55.457 53.050 0.044 0.000 0.852 326 N CB -0.347 38.166 38.487 0.043 0.000 1.018 326 N HN 0.492 nan 8.380 nan 0.000 0.423 327 A N 0.447 123.300 122.820 0.056 0.000 1.858 327 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 327 A C 2.413 180.025 177.584 0.046 0.000 1.190 327 A CA 2.163 54.234 52.037 0.057 0.000 0.617 327 A CB -1.501 17.545 19.000 0.076 0.000 0.827 327 A HN 0.479 nan 8.150 nan 0.000 0.443 328 A N 0.245 123.095 122.820 0.050 0.000 1.917 328 A HA -0.289 4.030 4.320 -0.000 0.000 0.219 328 A C 1.969 179.567 177.584 0.024 0.000 1.182 328 A CA 2.426 54.485 52.037 0.036 0.000 0.633 328 A CB -0.897 18.127 19.000 0.041 0.000 0.819 328 A HN 0.677 nan 8.150 nan 0.000 0.448 329 N N -0.287 118.428 118.700 0.026 0.000 2.120 329 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 329 N C 1.666 177.192 175.510 0.028 0.000 1.024 329 N CA 1.716 54.778 53.050 0.019 0.000 0.852 329 N CB -0.221 38.279 38.487 0.022 0.000 1.003 329 N HN 0.478 nan 8.380 nan 0.000 0.424 330 E N 0.252 120.472 120.200 0.033 0.000 2.070 330 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 330 E C 1.965 178.586 176.600 0.035 0.000 1.004 330 E CA 0.996 57.418 56.400 0.036 0.000 0.805 330 E CB -0.247 29.474 29.700 0.034 0.000 0.744 330 E HN 0.499 nan 8.360 nan 0.000 0.451 331 I N 0.883 121.470 120.570 0.028 0.000 2.202 331 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 331 I C 2.570 178.707 176.117 0.032 0.000 1.091 331 I CA 1.014 62.328 61.300 0.024 0.000 1.368 331 I CB -1.468 36.540 38.000 0.012 0.000 1.058 331 I HN -0.043 nan 8.210 nan 0.000 0.410 332 A N 0.930 123.766 122.820 0.027 0.000 1.917 332 A HA -0.163 4.156 4.320 -0.000 0.000 0.219 332 A C 2.551 180.177 177.584 0.070 0.000 1.182 332 A CA 2.078 54.133 52.037 0.029 0.000 0.633 332 A CB -0.995 18.003 19.000 -0.003 0.000 0.819 332 A HN 0.262 nan 8.150 nan 0.000 0.448 333 V N -0.302 119.657 119.914 0.076 0.000 2.270 333 V HA -0.217 3.902 4.120 -0.000 0.000 0.245 333 V C 3.057 179.251 176.094 0.166 0.000 1.043 333 V CA 1.898 64.283 62.300 0.141 0.000 1.014 333 V CB -1.313 30.579 31.823 0.115 0.000 0.645 333 V HN 0.618 nan 8.190 nan 0.000 0.447 334 A N -0.024 122.854 122.820 0.096 0.000 1.978 334 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 334 A C 2.393 180.013 177.584 0.060 0.000 1.170 334 A CA 2.168 54.245 52.037 0.065 0.000 0.636 334 A CB -0.701 18.323 19.000 0.039 0.000 0.810 334 A HN 0.583 nan 8.150 nan 0.000 0.448 335 A N -0.829 122.038 122.820 0.078 0.000 1.855 335 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 335 A C 2.031 179.681 177.584 0.110 0.000 1.191 335 A CA 1.612 53.692 52.037 0.073 0.000 0.613 335 A CB -0.787 18.255 19.000 0.069 0.000 0.829 335 A HN 0.774 nan 8.150 nan 0.000 0.442 336 F N 0.806 120.772 119.950 0.026 0.000 2.095 336 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 336 F C 1.859 177.697 175.800 0.063 0.000 1.104 336 F CA 1.776 59.807 58.000 0.052 0.000 1.232 336 F CB -0.521 38.524 39.000 0.075 0.000 0.987 336 F HN 0.136 nan 8.300 nan 0.000 0.475 337 L N -0.060 121.058 121.223 -0.174 0.000 2.083 337 L HA -0.203 4.136 4.340 -0.000 0.000 0.209 337 L C 1.543 178.290 176.870 -0.205 0.000 1.083 337 L CA 1.690 56.360 54.840 -0.283 0.000 0.752 337 L CB -0.732 41.287 42.059 -0.067 0.000 0.899 337 L HN 0.090 nan 8.230 nan 0.000 0.433 338 D N 0.430 120.769 120.400 -0.103 0.000 2.323 338 D HA -0.032 4.608 4.640 -0.000 0.000 0.239 338 D C 0.507 176.762 176.300 -0.074 0.000 1.129 338 D CA 0.084 54.042 54.000 -0.069 0.000 0.865 338 D CB -0.036 40.747 40.800 -0.028 0.000 0.913 338 D HN 0.075 nan 8.370 nan 0.000 0.517 339 K N -0.720 119.600 120.400 -0.132 0.000 3.020 339 K HA -0.272 4.047 4.320 -0.000 0.000 0.266 339 K C 0.889 177.481 176.600 -0.014 0.000 1.067 339 K CA 0.675 56.904 56.287 -0.097 0.000 0.780 339 K CB -0.844 31.603 32.500 -0.089 0.000 1.220 339 K HN 0.303 nan 8.250 nan 0.000 0.483 340 K N 0.224 120.631 120.400 0.011 0.000 2.314 340 K HA 0.121 4.440 4.320 -0.000 0.000 0.198 340 K C 1.235 177.870 176.600 0.057 0.000 1.045 340 K CA 0.935 57.238 56.287 0.028 0.000 0.988 340 K CB 0.104 32.617 32.500 0.021 0.000 0.783 340 K HN 0.440 nan 8.250 nan 0.000 0.484 341 I N -4.114 116.522 120.570 0.109 0.000 3.264 341 I HA 0.535 4.705 4.170 -0.000 0.000 0.315 341 I C -0.089 176.176 176.117 0.247 0.000 1.154 341 I CA -1.496 59.886 61.300 0.135 0.000 0.962 341 I CB 1.592 39.658 38.000 0.110 0.000 1.265 341 I HN -0.200 nan 8.210 nan 0.000 0.463 342 G N 0.179 109.087 108.800 0.180 0.000 2.477 342 G HA2 0.318 4.278 3.960 -0.000 0.000 0.304 342 G HA3 0.318 4.278 3.960 -0.000 0.000 0.304 342 G C -0.171 174.794 174.900 0.108 0.000 1.175 342 G CA -0.486 44.740 45.100 0.210 0.000 0.907 342 G HN 0.749 nan 8.290 nan 0.000 0.509 343 F N 0.430 120.260 119.950 -0.199 0.000 2.126 343 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 343 F C 2.282 177.868 175.800 -0.357 0.000 1.096 343 F CA 1.443 59.046 58.000 -0.661 0.000 1.255 343 F CB 0.016 38.647 39.000 -0.616 0.000 0.997 343 F HN 0.209 nan 8.300 nan 0.000 0.479 344 L N -0.099 121.019 121.223 -0.175 0.000 2.551 344 L HA -0.116 4.223 4.340 -0.000 0.000 0.228 344 L C 1.575 178.323 176.870 -0.203 0.000 1.153 344 L CA 0.467 55.175 54.840 -0.220 0.000 0.851 344 L CB -0.716 41.291 42.059 -0.086 0.000 0.959 344 L HN 0.127 nan 8.230 nan 0.000 0.451 345 D N 0.480 120.780 120.400 -0.166 0.000 2.194 345 D HA -0.078 4.561 4.640 -0.000 0.000 0.204 345 D C 2.296 178.517 176.300 -0.132 0.000 0.964 345 D CA 0.916 54.852 54.000 -0.106 0.000 0.846 345 D CB 0.181 40.957 40.800 -0.039 0.000 0.962 345 D HN 0.313 nan 8.370 nan 0.000 0.490 346 I N 1.686 122.129 120.570 -0.210 0.000 2.113 346 I HA -0.329 3.840 4.170 -0.000 0.000 0.242 346 I C 2.517 178.544 176.117 -0.151 0.000 1.064 346 I CA 1.480 62.666 61.300 -0.190 0.000 1.320 346 I CB -0.330 37.480 38.000 -0.316 0.000 1.028 346 I HN -0.060 nan 8.210 nan 0.000 0.406 347 A N 0.452 123.161 122.820 -0.185 0.000 2.015 347 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 347 A C 2.283 179.822 177.584 -0.075 0.000 1.163 347 A CA 1.367 53.336 52.037 -0.113 0.000 0.646 347 A CB -0.359 18.573 19.000 -0.115 0.000 0.806 347 A HN 0.368 nan 8.150 nan 0.000 0.448 348 K N -0.204 120.145 120.400 -0.084 0.000 2.002 348 K HA -0.043 4.277 4.320 -0.000 0.000 0.209 348 K C 1.777 178.345 176.600 -0.053 0.000 1.048 348 K CA 1.573 57.824 56.287 -0.061 0.000 0.930 348 K CB -0.392 32.072 32.500 -0.061 0.000 0.714 348 K HN 0.496 nan 8.250 nan 0.000 0.438 349 I N 0.946 121.483 120.570 -0.055 0.000 2.127 349 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 349 I C 2.266 178.361 176.117 -0.036 0.000 1.075 349 I CA 1.203 62.474 61.300 -0.047 0.000 1.334 349 I CB -0.415 37.563 38.000 -0.036 0.000 1.040 349 I HN -0.054 nan 8.210 nan 0.000 0.405 350 V N 1.158 121.056 119.914 -0.028 0.000 2.392 350 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 350 V C 2.523 178.617 176.094 0.000 0.000 1.059 350 V CA 2.315 64.611 62.300 -0.007 0.000 1.051 350 V CB -0.822 30.997 31.823 -0.007 0.000 0.658 350 V HN 0.547 nan 8.190 nan 0.000 0.455 351 E N 0.913 121.107 120.200 -0.011 0.000 2.051 351 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 351 E C 2.109 178.710 176.600 0.002 0.000 0.991 351 E CA 1.724 58.123 56.400 -0.001 0.000 0.799 351 E CB -0.304 29.391 29.700 -0.009 0.000 0.748 351 E HN 0.564 nan 8.360 nan 0.000 0.449 352 K N -0.138 120.243 120.400 -0.032 0.000 1.991 352 K HA -0.123 4.197 4.320 -0.000 0.000 0.212 352 K C 2.415 178.983 176.600 -0.054 0.000 1.049 352 K CA 2.029 58.266 56.287 -0.084 0.000 0.932 352 K CB -0.607 31.794 32.500 -0.165 0.000 0.717 352 K HN 0.154 nan 8.250 nan 0.000 0.441 353 T N 2.270 116.805 114.554 -0.032 0.000 2.653 353 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 353 T C 1.851 176.628 174.700 0.128 0.000 1.035 353 T CA 1.402 63.529 62.100 0.045 0.000 1.154 353 T CB -0.354 68.541 68.868 0.045 0.000 0.862 353 T HN 0.129 nan 8.240 nan 0.000 0.441 354 L N 0.803 122.080 121.223 0.091 0.000 2.187 354 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 354 L C 2.208 179.138 176.870 0.100 0.000 1.100 354 L CA 1.116 56.008 54.840 0.087 0.000 0.765 354 L CB -0.457 41.632 42.059 0.050 0.000 0.904 354 L HN 0.269 nan 8.230 nan 0.000 0.437 355 D N -1.877 118.607 120.400 0.140 0.000 2.271 355 D HA -0.081 4.559 4.640 -0.000 0.000 0.206 355 D C 1.660 178.109 176.300 0.249 0.000 0.967 355 D CA 0.853 54.959 54.000 0.176 0.000 0.867 355 D CB 0.107 41.026 40.800 0.198 0.000 0.960 355 D HN 0.384 nan 8.370 nan 0.000 0.509 356 H N -1.487 117.626 119.070 0.071 0.000 2.592 356 H HA 0.117 4.673 4.556 -0.000 0.000 0.265 356 H C -0.557 174.874 175.328 0.172 0.000 0.955 356 H CA 0.161 56.263 56.048 0.089 0.000 1.175 356 H CB 0.244 30.046 29.762 0.068 0.000 1.433 356 H HN 0.038 nan 8.280 nan 0.000 0.537 357 Y N 1.151 121.517 120.300 0.110 0.000 2.329 357 Y HA 0.368 4.918 4.550 -0.000 0.000 0.328 357 Y C -0.499 175.424 175.900 0.038 0.000 0.992 357 Y CA -1.605 56.531 58.100 0.060 0.000 1.151 357 Y CB 1.287 39.781 38.460 0.057 0.000 1.150 357 Y HN 0.001 nan 8.280 nan 0.000 0.450 358 T N 4.939 119.320 114.554 -0.289 0.000 3.732 358 T HA 0.387 4.737 4.350 -0.000 0.000 0.234 358 T C -2.480 172.009 174.700 -0.352 0.000 1.146 358 T CA -1.279 60.642 62.100 -0.298 0.000 1.454 358 T CB -0.025 68.771 68.868 -0.120 0.000 0.910 358 T HN 0.442 nan 8.240 nan 0.000 0.640 359 P HA 0.407 nan 4.420 nan 0.000 0.272 359 P C 0.144 177.331 177.300 -0.189 0.000 1.248 359 P CA -0.397 62.490 63.100 -0.354 0.000 0.799 359 P CB 0.369 31.822 31.700 -0.412 0.000 0.997 360 A N 0.489 123.246 122.820 -0.106 0.000 2.322 360 A HA 0.438 4.758 4.320 -0.000 0.000 0.269 360 A C 0.707 178.254 177.584 -0.062 0.000 1.094 360 A CA -0.109 51.887 52.037 -0.069 0.000 0.807 360 A CB -0.513 18.462 19.000 -0.041 0.000 1.047 360 A HN 0.694 nan 8.150 nan 0.000 0.487 361 T N 0.704 115.230 114.554 -0.047 0.000 2.933 361 T HA 0.348 4.698 4.350 -0.000 0.000 0.306 361 T C -2.280 172.396 174.700 -0.039 0.000 1.045 361 T CA -0.724 61.353 62.100 -0.038 0.000 1.143 361 T CB -0.408 68.446 68.868 -0.023 0.000 1.003 361 T HN 0.410 nan 8.240 nan 0.000 0.540 362 P HA 0.276 nan 4.420 nan 0.000 0.271 362 P C 0.181 177.448 177.300 -0.054 0.000 1.218 362 P CA -0.528 62.539 63.100 -0.054 0.000 0.780 362 P CB 0.734 32.389 31.700 -0.075 0.000 0.901 363 S N -1.039 114.629 115.700 -0.054 0.000 2.549 363 S HA 0.167 4.637 4.470 -0.000 0.000 0.225 363 S C 0.496 175.059 174.600 -0.062 0.000 1.039 363 S CA -0.039 58.132 58.200 -0.048 0.000 0.942 363 S CB 0.065 63.245 63.200 -0.033 0.000 0.881 363 S HN 0.677 nan 8.310 nan 0.000 0.503 364 S N -0.199 115.451 115.700 -0.082 0.000 2.625 364 S HA 0.553 5.023 4.470 -0.000 0.000 0.271 364 S C 0.320 174.810 174.600 -0.183 0.000 1.161 364 S CA -0.801 57.335 58.200 -0.107 0.000 0.820 364 S CB 0.411 63.567 63.200 -0.074 0.000 1.137 364 S HN 0.064 nan 8.310 nan 0.000 0.470 365 L N 0.607 121.675 121.223 -0.257 0.000 2.265 365 L HA -0.059 4.281 4.340 -0.000 0.000 0.215 365 L C 2.162 178.656 176.870 -0.627 0.000 1.117 365 L CA 1.270 55.791 54.840 -0.530 0.000 0.782 365 L CB -0.609 41.105 42.059 -0.575 0.000 0.914 365 L HN 0.717 nan 8.230 nan 0.000 0.441 366 E N -0.044 120.014 120.200 -0.237 0.000 2.106 366 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 366 E C 1.810 178.400 176.600 -0.017 0.000 0.984 366 E CA 0.942 57.325 56.400 -0.028 0.000 0.806 366 E CB -0.124 29.593 29.700 0.029 0.000 0.750 366 E HN 0.377 nan 8.360 nan 0.000 0.458 367 D N -0.269 120.091 120.400 -0.067 0.000 2.117 367 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 367 D C 2.013 178.294 176.300 -0.032 0.000 0.982 367 D CA 0.826 54.808 54.000 -0.029 0.000 0.828 367 D CB -0.131 40.644 40.800 -0.042 0.000 0.967 367 D HN 0.031 nan 8.370 nan 0.000 0.464 368 V N 1.098 120.933 119.914 -0.131 0.000 2.255 368 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 368 V C 2.330 178.426 176.094 0.003 0.000 1.051 368 V CA 1.473 63.697 62.300 -0.126 0.000 1.018 368 V CB -0.781 30.877 31.823 -0.274 0.000 0.641 368 V HN 0.173 nan 8.190 nan 0.000 0.445 369 F N 0.245 120.199 119.950 0.008 0.000 2.202 369 F HA -0.214 4.313 4.527 -0.000 0.000 0.301 369 F C 2.446 178.259 175.800 0.022 0.000 1.082 369 F CA 0.804 58.809 58.000 0.010 0.000 1.313 369 F CB -0.429 38.572 39.000 0.002 0.000 1.024 369 F HN 0.167 nan 8.300 nan 0.000 0.495 370 A N 1.051 123.996 122.820 0.208 0.000 1.832 370 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 370 A C 2.096 179.771 177.584 0.151 0.000 1.200 370 A CA 1.468 53.591 52.037 0.145 0.000 0.610 370 A CB -1.075 17.992 19.000 0.112 0.000 0.842 370 A HN 0.312 nan 8.150 nan 0.000 0.444 371 I N -0.114 120.553 120.570 0.161 0.000 2.145 371 I HA -0.339 3.831 4.170 -0.000 0.000 0.244 371 I C 2.348 178.599 176.117 0.224 0.000 1.075 371 I CA 2.165 63.607 61.300 0.238 0.000 1.332 371 I CB -0.611 37.472 38.000 0.138 0.000 1.033 371 I HN 0.473 nan 8.210 nan 0.000 0.410 372 D N 1.068 121.563 120.400 0.157 0.000 2.103 372 D HA -0.280 4.360 4.640 -0.000 0.000 0.190 372 D C 1.895 178.250 176.300 0.092 0.000 0.997 372 D CA 2.061 56.139 54.000 0.129 0.000 0.833 372 D CB -0.188 40.695 40.800 0.138 0.000 0.961 372 D HN 0.234 nan 8.370 nan 0.000 0.447 373 N N -0.256 118.494 118.700 0.084 0.000 2.149 373 N HA -0.228 4.512 4.740 -0.000 0.000 0.188 373 N C 1.596 177.098 175.510 -0.015 0.000 1.019 373 N CA 1.663 54.733 53.050 0.034 0.000 0.857 373 N CB -0.156 38.353 38.487 0.036 0.000 0.997 373 N HN 0.165 nan 8.380 nan 0.000 0.426 374 E N 0.030 120.214 120.200 -0.027 0.000 2.028 374 E HA 0.024 4.373 4.350 -0.000 0.000 0.191 374 E C 1.892 178.305 176.600 -0.313 0.000 0.988 374 E CA 1.465 57.739 56.400 -0.209 0.000 0.799 374 E CB -0.741 28.786 29.700 -0.288 0.000 0.755 374 E HN 0.414 nan 8.360 nan 0.000 0.447 375 A N 0.872 123.602 122.820 -0.150 0.000 1.917 375 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 375 A C 2.245 179.807 177.584 -0.037 0.000 1.182 375 A CA 2.021 54.043 52.037 -0.026 0.000 0.633 375 A CB -0.632 18.477 19.000 0.183 0.000 0.819 375 A HN 0.233 nan 8.150 nan 0.000 0.448 376 R N -0.207 120.281 120.500 -0.019 0.000 2.081 376 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 376 R C 2.197 178.473 176.300 -0.040 0.000 1.131 376 R CA 1.756 57.847 56.100 -0.015 0.000 0.960 376 R CB -0.637 29.662 30.300 -0.002 0.000 0.856 376 R HN 0.849 nan 8.270 nan 0.000 0.436 377 I N -1.225 119.302 120.570 -0.070 0.000 2.286 377 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 377 I C 1.713 177.781 176.117 -0.082 0.000 1.104 377 I CA 1.105 62.362 61.300 -0.072 0.000 1.397 377 I CB -0.536 37.416 38.000 -0.081 0.000 1.072 377 I HN 0.038 nan 8.210 nan 0.000 0.417 378 Q N 2.028 121.752 119.800 -0.127 0.000 2.030 378 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 378 Q C 2.601 178.566 176.000 -0.058 0.000 0.986 378 Q CA 2.245 57.983 55.803 -0.108 0.000 0.843 378 Q CB -0.590 28.052 28.738 -0.160 0.000 0.904 378 Q HN 0.699 nan 8.270 nan 0.000 0.420 379 A N 1.413 124.207 122.820 -0.043 0.000 1.865 379 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 379 A C 2.401 179.969 177.584 -0.028 0.000 1.191 379 A CA 2.299 54.320 52.037 -0.027 0.000 0.623 379 A CB -0.910 18.085 19.000 -0.008 0.000 0.826 379 A HN 0.405 nan 8.150 nan 0.000 0.444 380 A N -0.344 122.461 122.820 -0.025 0.000 1.978 380 A HA 0.099 4.419 4.320 -0.000 0.000 0.220 380 A C 2.451 180.022 177.584 -0.023 0.000 1.170 380 A CA 2.300 54.325 52.037 -0.019 0.000 0.636 380 A CB -0.964 18.025 19.000 -0.019 0.000 0.810 380 A HN 1.059 nan 8.150 nan 0.000 0.448 381 A N 0.060 122.862 122.820 -0.030 0.000 1.832 381 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 381 A C 2.117 179.682 177.584 -0.031 0.000 1.200 381 A CA 1.456 53.477 52.037 -0.028 0.000 0.610 381 A CB -0.843 18.139 19.000 -0.029 0.000 0.842 381 A HN 0.479 nan 8.150 nan 0.000 0.444 382 L N -0.771 120.423 121.223 -0.048 0.000 2.081 382 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 382 L C 2.816 179.658 176.870 -0.047 0.000 1.080 382 L CA 1.715 56.514 54.840 -0.067 0.000 0.754 382 L CB -0.664 41.328 42.059 -0.111 0.000 0.893 382 L HN 0.520 nan 8.230 nan 0.000 0.433 383 M N 0.431 120.010 119.600 -0.034 0.000 2.144 383 M HA -0.196 4.283 4.480 -0.000 0.000 0.260 383 M C 0.652 176.945 176.300 -0.012 0.000 1.067 383 M CA 1.831 57.119 55.300 -0.019 0.000 1.095 383 M CB -0.237 32.358 32.600 -0.009 0.000 1.365 383 M HN 0.271 nan 8.290 nan 0.000 0.406 384 E N -0.174 120.018 120.200 -0.014 0.000 2.462 384 E HA 0.141 4.491 4.350 -0.000 0.000 0.255 384 E C 0.418 177.012 176.600 -0.011 0.000 1.311 384 E CA -0.428 55.967 56.400 -0.009 0.000 1.629 384 E CB 0.344 30.040 29.700 -0.007 0.000 1.510 384 E HN 0.293 nan 8.360 nan 0.000 0.438 385 S N -0.246 115.445 115.700 -0.014 0.000 2.670 385 S HA 0.210 4.679 4.470 -0.000 0.000 0.241 385 S C 0.644 175.238 174.600 -0.010 0.000 1.077 385 S CA -0.199 57.993 58.200 -0.013 0.000 0.899 385 S CB 0.751 63.938 63.200 -0.022 0.000 0.835 385 S HN 0.200 nan 8.310 nan 0.000 0.481 386 L N 0.000 121.217 121.223 -0.010 0.000 2.949 386 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 386 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 386 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 386 L HN 0.000 nan 8.230 nan 0.000 0.502