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 2imo_1_B DATA FIRST_RESID 3 DATA SEQUENCE LITHFRQAIE ETLPWLSSFG ADPAGGXTRL LYSPEWLETQ QQFKKRXAAS DATA SEQUENCE GLETRFDEVG NLYGRLNGTE YPQEVVLSGS HIDTVVNGGN LDGQFGALAA DATA SEQUENCE WLAIDWLKTQ YGAPLRTVEV VAXAEEEGSR FPYVFWGSKN IFGLANPXXX DATA SEQUENCE XXXXXXXXXX XXXXXKACGF TLPNAPLTPR QDIKAFVELH IEQGCVLESN DATA SEQUENCE GQSIGVVNAI VGQRRYTVTL NGESNHAGTT PXGYRRDTVY AFSRICHQSV DATA SEQUENCE EKAKRXGDPL VLTFGKVEPR PNTVNVVPGK TTFTIDCRHT DAAVLRDFTQ DATA SEQUENCE QLENDXRAIC DEXDIGIDID LWXDEEPVPX NKELVATLTE LCEREKLNYR DATA SEQUENCE VXHSGAGHDA QIFAPRVPTC XIFIPSINGI SHNPAERTNI TDLAEGVKTL DATA SEQUENCE ALXLYQLAWQ K 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 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.860 176.870 -0.017 0.000 1.165 3 L CA 0.000 54.779 54.840 -0.102 0.000 0.813 3 L CB 0.000 41.970 42.059 -0.148 0.000 0.961 4 I N 1.244 121.839 120.570 0.041 0.000 2.252 4 I HA -0.163 4.007 4.170 0.000 0.000 0.245 4 I C 1.989 178.162 176.117 0.093 0.000 1.102 4 I CA 1.989 63.346 61.300 0.095 0.000 1.385 4 I CB -0.435 37.597 38.000 0.053 0.000 1.064 4 I HN 0.364 nan 8.210 nan 0.000 0.414 5 T N -2.571 112.012 114.554 0.047 0.000 3.252 5 T HA -0.052 4.298 4.350 0.000 0.000 0.250 5 T C 1.512 176.212 174.700 -0.001 0.000 1.123 5 T CA 0.226 62.341 62.100 0.025 0.000 1.006 5 T CB -0.541 68.333 68.868 0.011 0.000 0.992 5 T HN 0.445 nan 8.240 nan 0.000 0.547 6 H N 0.285 119.291 119.070 -0.106 0.000 2.355 6 H HA 0.157 4.714 4.556 0.001 0.000 0.312 6 H C 1.249 176.458 175.328 -0.198 0.000 1.051 6 H CA 0.499 56.421 56.048 -0.210 0.000 1.389 6 H CB -0.473 29.045 29.762 -0.407 0.000 1.455 6 H HN 0.361 nan 8.280 nan 0.000 0.575 7 F N 1.914 121.878 119.950 0.024 0.000 2.234 7 F HA 0.020 4.547 4.527 0.000 0.000 0.299 7 F C 3.015 178.783 175.800 -0.053 0.000 1.087 7 F CA 1.080 59.066 58.000 -0.023 0.000 1.340 7 F CB -0.472 38.515 39.000 -0.021 0.000 1.031 7 F HN 0.143 nan 8.300 nan 0.000 0.500 8 R N 0.472 121.057 120.500 0.143 0.000 2.200 8 R HA -0.198 4.142 4.340 0.000 0.000 0.234 8 R C 1.683 178.005 176.300 0.037 0.000 1.127 8 R CA 1.564 57.713 56.100 0.082 0.000 0.989 8 R CB -0.130 30.200 30.300 0.050 0.000 0.869 8 R HN 0.416 nan 8.270 nan 0.000 0.459 9 Q N -1.380 118.401 119.800 -0.031 0.000 2.339 9 Q HA 0.119 4.459 4.340 0.000 0.000 0.205 9 Q C 1.912 177.892 176.000 -0.035 0.000 0.925 9 Q CA 0.621 56.391 55.803 -0.054 0.000 0.898 9 Q CB 0.416 29.077 28.738 -0.129 0.000 1.013 9 Q HN 0.327 nan 8.270 nan 0.000 0.504 10 A N 1.415 124.208 122.820 -0.046 0.000 1.841 10 A HA -0.136 4.184 4.320 0.000 0.000 0.214 10 A C 2.053 179.728 177.584 0.152 0.000 1.195 10 A CA 1.017 53.076 52.037 0.036 0.000 0.611 10 A CB -0.602 18.458 19.000 0.099 0.000 0.835 10 A HN 0.238 nan 8.150 nan 0.000 0.443 11 I N -0.499 120.182 120.570 0.185 0.000 2.127 11 I HA -0.285 3.886 4.170 0.000 0.000 0.241 11 I C 2.531 178.762 176.117 0.190 0.000 1.075 11 I CA 1.920 63.359 61.300 0.232 0.000 1.334 11 I CB -0.510 37.647 38.000 0.262 0.000 1.040 11 I HN 0.499 nan 8.210 nan 0.000 0.405 12 E N 0.547 120.825 120.200 0.130 0.000 2.273 12 E HA -0.283 4.068 4.350 0.000 0.000 0.198 12 E C 2.082 178.757 176.600 0.125 0.000 1.002 12 E CA 1.205 57.666 56.400 0.100 0.000 0.828 12 E CB 0.106 29.841 29.700 0.059 0.000 0.747 12 E HN 0.432 nan 8.360 nan 0.000 0.491 13 E N -0.653 119.637 120.200 0.150 0.000 2.132 13 E HA -0.051 4.299 4.350 0.000 0.000 0.193 13 E C 1.813 178.614 176.600 0.335 0.000 0.951 13 E CA 1.299 57.806 56.400 0.177 0.000 0.843 13 E CB 0.055 29.824 29.700 0.116 0.000 0.807 13 E HN 0.202 nan 8.360 nan 0.000 0.467 14 T N 2.400 117.188 114.554 0.391 0.000 2.770 14 T HA -0.100 4.250 4.350 0.000 0.000 0.258 14 T C 1.950 176.899 174.700 0.415 0.000 1.039 14 T CA 1.032 63.500 62.100 0.613 0.000 1.143 14 T CB -0.393 68.807 68.868 0.553 0.000 0.866 14 T HN 0.067 nan 8.240 nan 0.000 0.428 15 L N 3.215 124.600 121.223 0.270 0.000 2.079 15 L HA -0.002 4.338 4.340 0.000 0.000 0.210 15 L C -0.608 176.321 176.870 0.098 0.000 1.081 15 L CA 1.784 56.720 54.840 0.159 0.000 0.752 15 L CB -1.212 40.973 42.059 0.211 0.000 0.896 15 L HN 0.143 nan 8.230 nan 0.000 0.433 16 P HA -0.189 nan 4.420 nan 0.000 0.217 16 P C 1.547 178.945 177.300 0.164 0.000 1.151 16 P CA 1.793 64.975 63.100 0.135 0.000 0.828 16 P CB -0.551 31.238 31.700 0.148 0.000 0.788 17 W N 0.806 122.169 121.300 0.105 0.000 2.640 17 W HA 0.058 4.718 4.660 0.000 0.000 0.268 17 W C 1.495 178.155 176.519 0.235 0.000 1.263 17 W CA 0.040 57.463 57.345 0.129 0.000 1.344 17 W CB -1.306 28.245 29.460 0.152 0.000 1.093 17 W HN -0.189 nan 8.180 nan 0.000 0.603 18 L N 2.155 122.868 121.223 -0.851 0.000 2.072 18 L HA -0.047 4.293 4.340 0.000 0.000 0.205 18 L C 1.871 178.563 176.870 -0.298 0.000 1.079 18 L CA 2.178 56.492 54.840 -0.876 0.000 0.752 18 L CB -1.131 40.511 42.059 -0.695 0.000 0.906 18 L HN 0.027 nan 8.230 nan 0.000 0.436 19 S N -0.597 115.005 115.700 -0.163 0.000 2.803 19 S HA -0.015 4.455 4.470 0.000 0.000 0.228 19 S C 1.759 176.340 174.600 -0.033 0.000 0.953 19 S CA 0.629 58.785 58.200 -0.073 0.000 0.983 19 S CB -0.354 62.822 63.200 -0.040 0.000 0.784 19 S HN 0.738 nan 8.310 nan 0.000 0.498 20 S N -0.139 115.541 115.700 -0.032 0.000 2.502 20 S HA 0.294 4.764 4.470 0.000 0.000 0.228 20 S C 0.267 174.768 174.600 -0.166 0.000 1.061 20 S CA -0.350 57.781 58.200 -0.115 0.000 0.935 20 S CB -0.488 62.593 63.200 -0.198 0.000 0.809 20 S HN 0.356 nan 8.310 nan 0.000 0.510 21 F N 3.470 123.371 119.950 -0.081 0.000 2.502 21 F HA 0.516 5.044 4.527 0.000 0.000 0.361 21 F C 1.599 177.382 175.800 -0.030 0.000 1.157 21 F CA 0.592 58.563 58.000 -0.049 0.000 1.096 21 F CB -0.129 38.818 39.000 -0.089 0.000 1.141 21 F HN 0.446 nan 8.300 nan 0.000 0.579 22 G N 1.943 110.805 108.800 0.103 0.000 2.173 22 G HA2 0.066 4.026 3.960 0.000 0.000 0.174 22 G HA3 0.066 4.026 3.960 0.000 0.000 0.174 22 G C -0.057 174.875 174.900 0.053 0.000 1.025 22 G CA -0.516 44.641 45.100 0.095 0.000 0.706 22 G HN 0.995 nan 8.290 nan 0.000 0.499 23 A N -0.028 122.803 122.820 0.018 0.000 2.363 23 A HA 0.610 4.930 4.320 0.000 0.000 0.270 23 A C 0.060 177.652 177.584 0.014 0.000 1.121 23 A CA 0.106 52.147 52.037 0.007 0.000 0.800 23 A CB 0.751 19.740 19.000 -0.018 0.000 1.052 23 A HN 0.357 nan 8.150 nan 0.000 0.493 24 D N 2.735 123.145 120.400 0.017 0.000 2.317 24 D HA 0.361 5.002 4.640 0.000 0.000 0.234 24 D C -1.363 174.943 176.300 0.010 0.000 1.112 24 D CA -1.884 52.126 54.000 0.017 0.000 0.840 24 D CB 1.367 42.179 40.800 0.021 0.000 1.078 24 D HN 0.238 nan 8.370 nan 0.000 0.486 25 P HA -0.053 nan 4.420 nan 0.000 0.226 25 P C 0.704 178.008 177.300 0.006 0.000 1.153 25 P CA 0.360 63.463 63.100 0.005 0.000 0.777 25 P CB 0.336 32.039 31.700 0.004 0.000 0.794 26 A N -0.232 122.593 122.820 0.008 0.000 2.208 26 A HA 0.456 4.777 4.320 0.000 0.000 0.209 26 A C 1.066 178.655 177.584 0.008 0.000 1.161 26 A CA 0.708 52.749 52.037 0.007 0.000 0.782 26 A CB -0.779 18.226 19.000 0.007 0.000 0.816 26 A HN 0.349 nan 8.150 nan 0.000 0.477 27 G N -2.058 106.747 108.800 0.009 0.000 3.160 27 G HA2 0.539 4.499 3.960 0.000 0.000 0.573 27 G HA3 0.539 4.499 3.960 0.000 0.000 0.573 27 G C 0.385 175.293 174.900 0.014 0.000 1.286 27 G CA -0.152 44.953 45.100 0.010 0.000 1.151 27 G HN 2.252 nan 8.290 nan 0.000 0.555 31 R N 2.407 122.988 120.500 0.136 0.000 2.039 31 R HA 0.565 4.905 4.340 0.000 0.000 0.218 31 R C -0.093 176.346 176.300 0.231 0.000 1.220 31 R CA 0.258 56.483 56.100 0.208 0.000 0.993 31 R CB -0.022 30.427 30.300 0.247 0.000 0.881 31 R HN 0.618 nan 8.270 nan 0.000 0.450 32 L N 1.222 122.557 121.223 0.187 0.000 0.722 32 L HA -0.220 4.121 4.340 0.000 0.000 0.359 32 L C -0.303 176.546 176.870 -0.036 0.000 1.004 32 L CA -0.180 54.706 54.840 0.075 0.000 1.220 32 L CB -0.537 41.540 42.059 0.029 0.000 0.106 32 L HN 0.314 nan 8.230 nan 0.000 0.138 33 L N 3.507 124.578 121.223 -0.253 0.000 2.558 33 L HA -0.196 4.145 4.340 0.000 0.000 0.301 33 L C 1.451 178.034 176.870 -0.478 0.000 1.267 33 L CA 0.997 55.417 54.840 -0.700 0.000 0.854 33 L CB 0.054 41.808 42.059 -0.508 0.000 1.103 33 L HN 0.625 nan 8.230 nan 0.000 0.522 34 Y N 0.145 119.943 120.300 -0.837 0.000 2.613 34 Y HA -0.504 4.046 4.550 0.000 0.000 0.487 34 Y C 1.654 177.627 175.900 0.122 0.000 0.944 34 Y CA 1.136 59.057 58.100 -0.297 0.000 3.280 34 Y CB -1.419 36.925 38.460 -0.193 0.000 0.928 34 Y HN 0.686 nan 8.280 nan 0.000 0.580 35 S N 2.695 118.579 115.700 0.307 0.000 2.553 35 S HA 0.013 4.484 4.470 0.000 0.000 0.293 35 S C -2.117 172.651 174.600 0.280 0.000 1.296 35 S CA -0.795 57.554 58.200 0.248 0.000 1.046 35 S CB 0.266 63.573 63.200 0.178 0.000 0.810 35 S HN 0.037 nan 8.310 nan 0.000 0.505 36 P HA -0.123 nan 4.420 nan 0.000 0.273 36 P C 0.592 178.036 177.300 0.240 0.000 1.177 36 P CA 0.918 64.153 63.100 0.224 0.000 0.765 36 P CB 0.227 32.019 31.700 0.153 0.000 0.780 37 E N -1.424 118.915 120.200 0.231 0.000 4.514 37 E HA -0.238 4.112 4.350 0.000 0.000 0.249 37 E C 0.989 177.748 176.600 0.265 0.000 0.749 37 E CA 1.749 58.281 56.400 0.221 0.000 2.189 37 E CB -2.073 27.739 29.700 0.186 0.000 1.732 37 E HN 0.624 nan 8.360 nan 0.000 0.540 38 W N 1.695 123.074 121.300 0.132 0.000 2.526 38 W HA 0.192 4.852 4.660 0.000 0.000 0.294 38 W C 2.307 178.916 176.519 0.151 0.000 1.181 38 W CA 1.762 59.186 57.345 0.131 0.000 1.373 38 W CB -0.552 28.997 29.460 0.148 0.000 1.112 38 W HN 0.148 nan 8.180 nan 0.000 0.545 39 L N 1.569 123.030 121.223 0.396 0.000 2.012 39 L HA -0.212 4.128 4.340 0.000 0.000 0.210 39 L C 2.309 179.190 176.870 0.017 0.000 1.073 39 L CA 2.602 57.563 54.840 0.201 0.000 0.748 39 L CB -1.164 41.096 42.059 0.335 0.000 0.891 39 L HN -0.001 nan 8.230 nan 0.000 0.431 40 E N -1.027 119.219 120.200 0.078 0.000 2.130 40 E HA -0.204 4.146 4.350 0.000 0.000 0.196 40 E C 2.030 178.558 176.600 -0.120 0.000 0.998 40 E CA 1.863 58.297 56.400 0.055 0.000 0.806 40 E CB -0.282 29.529 29.700 0.186 0.000 0.738 40 E HN 0.563 nan 8.360 nan 0.000 0.459 41 T N 0.375 114.815 114.554 -0.189 0.000 2.777 41 T HA -0.100 4.250 4.350 0.000 0.000 0.266 41 T C 1.546 176.018 174.700 -0.379 0.000 1.040 41 T CA 0.936 62.797 62.100 -0.397 0.000 1.141 41 T CB -0.107 68.573 68.868 -0.312 0.000 0.868 41 T HN 0.114 nan 8.240 nan 0.000 0.444 42 Q N 0.923 120.511 119.800 -0.354 0.000 2.364 42 Q HA -0.013 4.327 4.340 0.000 0.000 0.207 42 Q C 2.204 178.208 176.000 0.007 0.000 0.970 42 Q CA 1.090 56.770 55.803 -0.205 0.000 0.888 42 Q CB -0.141 28.453 28.738 -0.241 0.000 0.951 42 Q HN 0.658 nan 8.270 nan 0.000 0.469 43 Q N -0.297 119.482 119.800 -0.035 0.000 2.061 43 Q HA -0.075 4.265 4.340 0.000 0.000 0.195 43 Q C 1.890 177.867 176.000 -0.038 0.000 0.967 43 Q CA 0.755 56.570 55.803 0.020 0.000 0.829 43 Q CB 0.187 28.935 28.738 0.017 0.000 0.900 43 Q HN 0.325 nan 8.270 nan 0.000 0.450 44 Q N -0.335 119.376 119.800 -0.148 0.000 2.369 44 Q HA -0.083 4.258 4.340 0.000 0.000 0.206 44 Q C 1.369 177.335 176.000 -0.056 0.000 0.963 44 Q CA 0.749 56.487 55.803 -0.108 0.000 0.894 44 Q CB -0.068 28.488 28.738 -0.304 0.000 0.965 44 Q HN 0.286 nan 8.270 nan 0.000 0.475 45 F N 1.577 121.317 119.950 -0.349 0.000 2.776 45 F HA 0.162 4.689 4.527 0.000 0.000 0.300 45 F C 1.919 177.497 175.800 -0.370 0.000 1.116 45 F CA 0.185 57.933 58.000 -0.420 0.000 1.375 45 F CB 0.283 39.013 39.000 -0.451 0.000 1.109 45 F HN -0.089 nan 8.300 nan 0.000 0.585 46 K N -0.076 120.188 120.400 -0.226 0.000 2.242 46 K HA -0.017 4.303 4.320 0.000 0.000 0.200 46 K C 2.050 178.547 176.600 -0.172 0.000 1.050 46 K CA 0.367 56.509 56.287 -0.242 0.000 0.981 46 K CB 0.154 32.611 32.500 -0.073 0.000 0.795 46 K HN -0.016 nan 8.250 nan 0.000 0.477 47 K N 1.016 121.361 120.400 -0.091 0.000 1.973 47 K HA -0.074 4.246 4.320 0.000 0.000 0.212 47 K C 1.173 177.753 176.600 -0.034 0.000 1.047 47 K CA 1.037 57.308 56.287 -0.027 0.000 0.937 47 K CB -0.267 32.249 32.500 0.027 0.000 0.721 47 K HN 0.132 nan 8.250 nan 0.000 0.440 51 A N 0.594 123.473 122.820 0.099 0.000 2.324 51 A HA 0.641 4.961 4.320 0.000 0.000 0.240 51 A C 0.492 178.173 177.584 0.163 0.000 1.347 51 A CA 1.114 53.227 52.037 0.127 0.000 1.036 51 A CB -0.695 18.395 19.000 0.151 0.000 0.917 51 A HN 0.702 nan 8.150 nan 0.000 0.519 52 S N -2.792 112.999 115.700 0.151 0.000 2.611 52 S HA 0.449 4.919 4.470 0.000 0.000 0.268 52 S C 0.776 175.445 174.600 0.114 0.000 1.156 52 S CA -0.271 58.018 58.200 0.149 0.000 0.817 52 S CB 0.794 64.128 63.200 0.222 0.000 1.122 52 S HN 0.601 nan 8.310 nan 0.000 0.466 53 G N 0.858 109.718 108.800 0.101 0.000 3.079 53 G HA2 0.129 4.089 3.960 0.000 0.000 0.205 53 G HA3 0.129 4.089 3.960 0.000 0.000 0.205 53 G C 0.002 174.952 174.900 0.083 0.000 1.203 53 G CA 0.328 45.476 45.100 0.081 0.000 0.929 53 G HN 0.423 nan 8.290 nan 0.000 0.498 54 L N 0.961 122.244 121.223 0.100 0.000 2.278 54 L HA 0.215 4.555 4.340 0.000 0.000 0.287 54 L C 0.193 177.093 176.870 0.051 0.000 1.072 54 L CA 0.007 54.900 54.840 0.089 0.000 0.819 54 L CB 0.832 42.962 42.059 0.119 0.000 1.176 54 L HN 0.284 nan 8.230 nan 0.000 0.435 55 E N 2.049 122.272 120.200 0.039 0.000 2.222 55 E HA 0.016 4.367 4.350 0.000 0.000 0.312 55 E C 0.526 177.140 176.600 0.022 0.000 1.263 55 E CA -0.140 56.276 56.400 0.026 0.000 1.356 55 E CB 0.091 29.801 29.700 0.016 0.000 1.180 55 E HN 0.466 nan 8.360 nan 0.000 0.494 56 T N 1.965 116.524 114.554 0.009 0.000 2.908 56 T HA 0.055 4.405 4.350 0.000 0.000 0.325 56 T C 0.113 174.825 174.700 0.018 0.000 1.092 56 T CA 0.347 62.434 62.100 -0.021 0.000 1.125 56 T CB 0.325 69.149 68.868 -0.073 0.000 1.016 56 T HN 0.640 nan 8.240 nan 0.000 0.550 57 R N 1.288 121.789 120.500 0.002 0.000 2.944 57 R HA 0.585 4.925 4.340 0.000 0.000 0.270 57 R C -1.773 174.545 176.300 0.030 0.000 0.989 57 R CA -0.966 55.200 56.100 0.111 0.000 0.853 57 R CB 0.468 30.843 30.300 0.126 0.000 1.430 57 R HN 0.473 nan 8.270 nan 0.000 0.450 58 F N -0.315 119.775 119.950 0.234 0.000 2.691 58 F HA 0.536 5.064 4.527 0.001 0.000 0.334 58 F C -0.471 175.504 175.800 0.291 0.000 1.107 58 F CA -0.198 57.977 58.000 0.292 0.000 0.991 58 F CB 1.645 40.866 39.000 0.369 0.000 1.400 58 F HN 0.756 nan 8.300 nan 0.000 0.503 59 D N -0.739 119.959 120.400 0.496 0.000 2.687 59 D HA 0.257 4.897 4.640 0.000 0.000 0.264 59 D C 0.222 176.673 176.300 0.252 0.000 1.091 59 D CA -0.426 53.760 54.000 0.311 0.000 1.123 59 D CB 0.828 41.799 40.800 0.285 0.000 1.407 59 D HN 0.366 nan 8.370 nan 0.000 0.591 60 E N -0.593 119.696 120.200 0.149 0.000 2.147 60 E HA -0.138 4.212 4.350 0.000 0.000 0.199 60 E C 1.723 178.381 176.600 0.096 0.000 1.005 60 E CA 2.186 58.667 56.400 0.135 0.000 0.810 60 E CB -0.352 29.387 29.700 0.065 0.000 0.736 60 E HN 0.457 nan 8.360 nan 0.000 0.460 61 V N -5.653 114.238 119.914 -0.038 0.000 3.621 61 V HA 0.557 4.678 4.120 0.000 0.000 0.263 61 V C 1.425 177.319 176.094 -0.333 0.000 1.272 61 V CA 0.771 63.024 62.300 -0.079 0.000 1.080 61 V CB 0.738 32.538 31.823 -0.040 0.000 0.816 61 V HN 0.249 nan 8.190 nan 0.000 0.451 62 G N 0.387 108.980 108.800 -0.346 0.000 2.902 62 G HA2 -0.123 3.837 3.960 0.000 0.000 0.215 62 G HA3 -0.123 3.837 3.960 0.000 0.000 0.215 62 G C -0.190 174.896 174.900 0.309 0.000 0.976 62 G CA -0.116 44.889 45.100 -0.159 0.000 0.794 62 G HN 0.570 nan 8.290 nan 0.000 0.557 63 N N 0.239 119.021 118.700 0.136 0.000 2.416 63 N HA 0.500 5.241 4.740 0.000 0.000 0.246 63 N C -0.406 174.968 175.510 -0.227 0.000 1.260 63 N CA 0.070 53.098 53.050 -0.037 0.000 0.897 63 N CB 1.382 39.750 38.487 -0.197 0.000 1.110 63 N HN 0.290 nan 8.380 nan 0.000 0.439 64 L N 1.917 122.872 121.223 -0.446 0.000 2.329 64 L HA 0.516 4.856 4.340 0.000 0.000 0.279 64 L C -1.527 174.981 176.870 -0.603 0.000 1.014 64 L CA -0.441 54.016 54.840 -0.639 0.000 0.814 64 L CB 0.622 42.355 42.059 -0.544 0.000 1.257 64 L HN 0.501 nan 8.230 nan 0.000 0.424 65 Y N 2.125 122.271 120.300 -0.257 0.000 2.686 65 Y HA 0.856 5.406 4.550 0.000 0.000 0.330 65 Y C 0.496 176.297 175.900 -0.164 0.000 1.082 65 Y CA -0.714 57.304 58.100 -0.135 0.000 1.158 65 Y CB 2.405 40.823 38.460 -0.070 0.000 1.333 65 Y HN 0.609 nan 8.280 nan 0.000 0.519 66 G N 0.933 109.799 108.800 0.109 0.000 2.334 66 G HA2 0.518 4.478 3.960 0.000 0.000 0.290 66 G HA3 0.518 4.478 3.960 0.000 0.000 0.290 66 G C -1.949 173.008 174.900 0.094 0.000 1.310 66 G CA -1.113 44.008 45.100 0.035 0.000 1.308 66 G HN 0.670 nan 8.290 nan 0.000 0.612 67 R N 1.933 122.476 120.500 0.071 0.000 2.637 67 R HA 0.772 5.112 4.340 0.000 0.000 0.291 67 R C -1.074 175.259 176.300 0.054 0.000 0.963 67 R CA -1.084 55.052 56.100 0.061 0.000 0.901 67 R CB 2.095 32.406 30.300 0.019 0.000 1.160 67 R HN 0.295 nan 8.270 nan 0.000 0.457 68 L N 3.857 125.111 121.223 0.052 0.000 2.297 68 L HA 0.362 4.703 4.340 0.000 0.000 0.277 68 L C -0.836 176.017 176.870 -0.029 0.000 1.040 68 L CA -0.688 54.177 54.840 0.042 0.000 0.867 68 L CB 0.357 42.474 42.059 0.096 0.000 1.244 68 L HN 0.817 nan 8.230 nan 0.000 0.433 69 N N 1.962 120.647 118.700 -0.026 0.000 2.407 69 N HA 0.289 5.030 4.740 0.000 0.000 0.250 69 N C 0.153 175.605 175.510 -0.096 0.000 1.236 69 N CA 0.736 53.754 53.050 -0.053 0.000 0.879 69 N CB 0.915 39.381 38.487 -0.035 0.000 1.088 69 N HN 0.713 nan 8.380 nan 0.000 0.450 70 G N -0.187 108.540 108.800 -0.122 0.000 2.482 70 G HA2 0.445 4.405 3.960 0.000 0.000 0.317 70 G HA3 0.445 4.405 3.960 0.000 0.000 0.317 70 G C -0.826 173.994 174.900 -0.134 0.000 1.241 70 G CA -0.741 44.255 45.100 -0.172 0.000 0.967 70 G HN 0.526 nan 8.290 nan 0.000 0.482 71 T N -0.840 113.628 114.554 -0.143 0.000 2.761 71 T HA 0.518 4.868 4.350 0.000 0.000 0.296 71 T C 0.040 174.629 174.700 -0.184 0.000 0.934 71 T CA -0.192 61.828 62.100 -0.133 0.000 1.091 71 T CB 1.096 69.900 68.868 -0.107 0.000 0.896 71 T HN 0.967 nan 8.240 nan 0.000 0.515 72 E N 2.694 122.756 120.200 -0.230 0.000 6.890 72 E HA -0.194 4.156 4.350 0.000 0.000 0.195 72 E C -1.315 175.013 176.600 -0.452 0.000 1.108 72 E CA -0.170 55.958 56.400 -0.453 0.000 1.547 72 E CB -1.183 28.218 29.700 -0.499 0.000 0.935 72 E HN 0.966 nan 8.360 nan 0.000 0.290 73 Y N 0.520 120.777 120.300 -0.071 0.000 3.612 73 Y HA -0.148 4.402 4.550 0.000 0.000 0.225 73 Y C -1.809 174.041 175.900 -0.083 0.000 1.521 73 Y CA 0.749 58.806 58.100 -0.071 0.000 1.743 73 Y CB -1.817 36.597 38.460 -0.077 0.000 1.583 73 Y HN 0.451 nan 8.280 nan 0.000 0.611 74 P HA -0.066 nan 4.420 nan 0.000 0.245 74 P C 0.705 178.001 177.300 -0.008 0.000 1.212 74 P CA 1.133 64.222 63.100 -0.017 0.000 0.774 74 P CB 0.558 32.233 31.700 -0.041 0.000 0.999 75 Q N -0.240 119.571 119.800 0.019 0.000 2.247 75 Q HA 0.205 4.545 4.340 0.000 0.000 0.204 75 Q C 0.202 176.204 176.000 0.005 0.000 0.872 75 Q CA 0.212 56.018 55.803 0.004 0.000 0.951 75 Q CB 0.706 29.449 28.738 0.008 0.000 1.099 75 Q HN 0.459 nan 8.270 nan 0.000 0.501 76 E N 1.044 121.253 120.200 0.015 0.000 2.113 76 E HA 0.383 4.733 4.350 0.000 0.000 0.273 76 E C -0.873 175.722 176.600 -0.009 0.000 0.924 76 E CA -0.416 55.980 56.400 -0.007 0.000 0.764 76 E CB 2.108 31.787 29.700 -0.036 0.000 1.104 76 E HN -0.134 nan 8.360 nan 0.000 0.406 77 V N 3.332 123.248 119.914 0.004 0.000 2.547 77 V HA 0.287 4.407 4.120 0.000 0.000 0.299 77 V C -0.050 176.078 176.094 0.057 0.000 1.040 77 V CA -0.788 61.524 62.300 0.020 0.000 0.913 77 V CB 1.960 33.796 31.823 0.022 0.000 0.992 77 V HN 0.387 nan 8.190 nan 0.000 0.449 78 V N 5.755 125.706 119.914 0.061 0.000 2.326 78 V HA 0.392 4.513 4.120 0.000 0.000 0.281 78 V C -0.127 176.050 176.094 0.137 0.000 1.015 78 V CA -0.291 62.063 62.300 0.090 0.000 0.823 78 V CB 1.366 33.220 31.823 0.051 0.000 1.009 78 V HN 0.628 nan 8.190 nan 0.000 0.436 79 L N 3.459 124.817 121.223 0.225 0.000 2.357 79 L HA 0.716 5.056 4.340 0.000 0.000 0.273 79 L C 0.189 177.178 176.870 0.198 0.000 1.080 79 L CA 0.174 55.197 54.840 0.305 0.000 0.803 79 L CB 1.984 44.345 42.059 0.504 0.000 1.174 79 L HN 0.699 nan 8.230 nan 0.000 0.443 80 S N 0.986 116.776 115.700 0.150 0.000 2.541 80 S HA 0.910 5.381 4.470 0.000 0.000 0.271 80 S C -0.562 174.065 174.600 0.045 0.000 1.133 80 S CA 0.244 58.403 58.200 -0.068 0.000 0.876 80 S CB 1.863 65.033 63.200 -0.050 0.000 1.105 80 S HN 1.119 nan 8.310 nan 0.000 0.470 81 G N 1.375 110.139 108.800 -0.059 0.000 2.357 81 G HA2 0.426 4.386 3.960 0.000 0.000 0.289 81 G HA3 0.426 4.386 3.960 0.000 0.000 0.289 81 G C -0.941 174.014 174.900 0.092 0.000 1.302 81 G CA 0.204 45.335 45.100 0.051 0.000 0.936 81 G HN 1.350 nan 8.290 nan 0.000 0.513 82 S N -1.841 113.918 115.700 0.098 0.000 2.611 82 S HA 0.599 5.069 4.470 0.000 0.000 0.268 82 S C -0.403 174.273 174.600 0.128 0.000 1.156 82 S CA 0.308 58.596 58.200 0.147 0.000 0.817 82 S CB 0.409 63.598 63.200 -0.018 0.000 1.122 82 S HN 2.001 nan 8.310 nan 0.000 0.466 83 H N 0.809 119.998 119.070 0.198 0.000 3.092 83 H HA 0.255 4.811 4.556 0.000 0.000 0.332 83 H C 0.932 176.337 175.328 0.127 0.000 1.029 83 H CA 0.291 56.460 56.048 0.203 0.000 1.376 83 H CB 0.207 30.128 29.762 0.265 0.000 1.329 83 H HN 0.441 nan 8.280 nan 0.000 0.598 84 I N 1.344 122.010 120.570 0.160 0.000 3.645 84 I HA -0.036 4.135 4.170 0.000 0.000 0.300 84 I C 0.285 176.503 176.117 0.168 0.000 1.260 84 I CA 0.089 61.407 61.300 0.031 0.000 1.365 84 I CB -0.417 37.574 38.000 -0.015 0.000 1.077 84 I HN 0.926 nan 8.210 nan 0.000 0.439 85 D N -0.284 120.346 120.400 0.383 0.000 2.377 85 D HA 0.174 4.814 4.640 0.000 0.000 0.245 85 D C 0.090 176.599 176.300 0.349 0.000 1.196 85 D CA -0.033 54.206 54.000 0.400 0.000 0.962 85 D CB 1.460 42.461 40.800 0.335 0.000 1.127 85 D HN 0.025 nan 8.370 nan 0.000 0.471 86 T N -1.565 113.145 114.554 0.260 0.000 2.731 86 T HA 0.442 4.792 4.350 0.000 0.000 0.300 86 T C -0.692 174.100 174.700 0.152 0.000 1.283 86 T CA -0.474 61.764 62.100 0.231 0.000 1.005 86 T CB 0.915 69.886 68.868 0.172 0.000 1.420 86 T HN 0.482 nan 8.240 nan 0.000 0.503 87 V N 1.633 121.626 119.914 0.133 0.000 3.170 87 V HA 0.523 4.644 4.120 0.000 0.000 0.309 87 V C 2.188 178.310 176.094 0.047 0.000 1.071 87 V CA 0.302 62.633 62.300 0.053 0.000 1.063 87 V CB 0.413 32.238 31.823 0.004 0.000 1.123 87 V HN 1.028 nan 8.190 nan 0.000 0.464 88 V N -0.434 119.489 119.914 0.014 0.000 2.311 88 V HA -0.212 3.908 4.120 0.000 0.000 0.256 88 V C 0.823 176.933 176.094 0.026 0.000 1.077 88 V CA 2.256 64.563 62.300 0.012 0.000 1.067 88 V CB -1.696 30.122 31.823 -0.008 0.000 0.659 88 V HN 1.013 nan 8.190 nan 0.000 0.451 89 N N -0.653 118.068 118.700 0.034 0.000 2.260 89 N HA 0.572 5.312 4.740 0.000 0.000 0.293 89 N C -0.018 175.527 175.510 0.059 0.000 1.058 89 N CA 0.068 53.141 53.050 0.039 0.000 0.824 89 N CB 2.202 40.706 38.487 0.028 0.000 1.551 89 N HN 0.642 nan 8.380 nan 0.000 0.475 90 G N 0.895 109.728 108.800 0.055 0.000 2.659 90 G HA2 0.224 4.184 3.960 0.000 0.000 0.214 90 G HA3 0.224 4.184 3.960 0.000 0.000 0.214 90 G C 0.438 175.377 174.900 0.065 0.000 1.191 90 G CA -0.008 45.128 45.100 0.061 0.000 1.141 90 G HN 1.346 nan 8.290 nan 0.000 0.581 91 G N 0.385 109.240 108.800 0.091 0.000 2.557 91 G HA2 -0.121 3.840 3.960 0.000 0.000 0.292 91 G HA3 -0.121 3.840 3.960 0.000 0.000 0.292 91 G C 1.209 176.123 174.900 0.024 0.000 1.162 91 G CA 2.496 47.647 45.100 0.085 0.000 0.964 91 G HN 2.711 nan 8.290 nan 0.000 0.541 92 N N -2.007 116.697 118.700 0.006 0.000 1.922 92 N HA -0.265 4.475 4.740 0.000 0.000 0.219 92 N C 1.420 176.906 175.510 -0.040 0.000 0.931 92 N CA 2.384 55.421 53.050 -0.022 0.000 3.603 92 N CB -1.158 37.313 38.487 -0.026 0.000 0.737 92 N HN 0.923 nan 8.380 nan 0.000 0.353 93 L N -0.119 121.070 121.223 -0.056 0.000 2.993 93 L HA 0.279 4.619 4.340 0.000 0.000 0.264 93 L C -0.092 176.730 176.870 -0.080 0.000 1.154 93 L CA -0.272 54.517 54.840 -0.085 0.000 0.972 93 L CB 0.499 42.451 42.059 -0.178 0.000 1.373 93 L HN 0.135 nan 8.230 nan 0.000 0.564 94 D N 0.495 120.872 120.400 -0.038 0.000 2.339 94 D HA 0.393 5.033 4.640 0.000 0.000 0.256 94 D C 1.198 177.404 176.300 -0.156 0.000 1.214 94 D CA 1.298 55.324 54.000 0.044 0.000 0.877 94 D CB 0.964 41.864 40.800 0.166 0.000 1.111 94 D HN 0.273 nan 8.370 nan 0.000 0.478 95 G N 3.935 112.432 108.800 -0.505 0.000 4.754 95 G HA2 -0.518 3.443 3.960 0.000 0.000 0.222 95 G HA3 -0.518 3.443 3.960 0.000 0.000 0.222 95 G C 1.250 175.809 174.900 -0.569 0.000 1.377 95 G CA 0.841 45.334 45.100 -1.013 0.000 0.942 95 G HN 0.634 nan 8.290 nan 0.000 0.671 96 Q N -0.250 119.306 119.800 -0.407 0.000 2.103 96 Q HA -0.214 4.126 4.340 0.000 0.000 0.213 96 Q C 2.300 178.165 176.000 -0.224 0.000 1.008 96 Q CA 2.841 58.471 55.803 -0.288 0.000 0.879 96 Q CB -0.382 28.235 28.738 -0.203 0.000 0.946 96 Q HN 0.849 nan 8.270 nan 0.000 0.413 97 F N 0.527 120.309 119.950 -0.280 0.000 2.408 97 F HA 0.014 4.542 4.527 0.000 0.000 0.300 97 F C 1.775 177.461 175.800 -0.189 0.000 1.090 97 F CA 1.419 59.294 58.000 -0.209 0.000 1.427 97 F CB -0.392 38.496 39.000 -0.186 0.000 1.070 97 F HN 0.225 nan 8.300 nan 0.000 0.549 98 G N -0.732 107.906 108.800 -0.269 0.000 2.408 98 G HA2 -0.068 3.892 3.960 0.000 0.000 0.215 98 G HA3 -0.068 3.892 3.960 0.000 0.000 0.215 98 G C 1.804 176.584 174.900 -0.199 0.000 1.156 98 G CA 0.507 45.452 45.100 -0.258 0.000 0.793 98 G HN 0.473 nan 8.290 nan 0.000 0.535 99 A N 0.294 123.018 122.820 -0.160 0.000 1.968 99 A HA 0.226 4.546 4.320 0.000 0.000 0.217 99 A C 2.278 179.954 177.584 0.153 0.000 1.169 99 A CA 1.286 53.331 52.037 0.012 0.000 0.638 99 A CB -0.276 18.696 19.000 -0.046 0.000 0.812 99 A HN 0.390 nan 8.150 nan 0.000 0.446 100 L N -0.676 120.487 121.223 -0.100 0.000 2.109 100 L HA 0.073 4.413 4.340 0.000 0.000 0.207 100 L C 2.619 179.460 176.870 -0.048 0.000 1.086 100 L CA 1.721 56.577 54.840 0.026 0.000 0.760 100 L CB -0.394 41.564 42.059 -0.169 0.000 0.910 100 L HN 0.306 nan 8.230 nan 0.000 0.437 101 A N -0.158 122.407 122.820 -0.425 0.000 1.855 101 A HA -0.106 4.214 4.320 0.000 0.000 0.215 101 A C 2.476 179.965 177.584 -0.158 0.000 1.191 101 A CA 1.668 53.441 52.037 -0.441 0.000 0.613 101 A CB -1.279 17.356 19.000 -0.609 0.000 0.829 101 A HN 0.538 nan 8.150 nan 0.000 0.442 102 A N -1.469 121.309 122.820 -0.070 0.000 1.917 102 A HA -0.240 4.080 4.320 0.000 0.000 0.219 102 A C 2.004 179.687 177.584 0.165 0.000 1.182 102 A CA 1.903 53.962 52.037 0.037 0.000 0.633 102 A CB -0.960 18.073 19.000 0.054 0.000 0.819 102 A HN 0.933 nan 8.150 nan 0.000 0.448 103 W N 0.475 121.799 121.300 0.041 0.000 2.409 103 W HA -0.045 4.616 4.660 0.001 0.000 0.299 103 W C 1.703 178.295 176.519 0.121 0.000 1.203 103 W CA 1.584 58.969 57.345 0.067 0.000 1.298 103 W CB -0.391 29.105 29.460 0.059 0.000 1.127 103 W HN 0.222 nan 8.180 nan 0.000 0.528 104 L N 0.633 121.835 121.223 -0.035 0.000 2.201 104 L HA -0.087 4.253 4.340 0.000 0.000 0.212 104 L C 2.584 179.513 176.870 0.098 0.000 1.105 104 L CA 1.160 55.918 54.840 -0.137 0.000 0.775 104 L CB -1.290 40.784 42.059 0.025 0.000 0.913 104 L HN 0.100 nan 8.230 nan 0.000 0.440 105 A N 0.196 123.040 122.820 0.040 0.000 1.930 105 A HA -0.065 4.255 4.320 0.000 0.000 0.215 105 A C 2.194 179.915 177.584 0.229 0.000 1.176 105 A CA 0.986 53.087 52.037 0.105 0.000 0.632 105 A CB -0.324 18.650 19.000 -0.043 0.000 0.819 105 A HN 0.291 nan 8.150 nan 0.000 0.445 106 I N -0.336 120.338 120.570 0.172 0.000 2.193 106 I HA -0.181 3.989 4.170 0.000 0.000 0.240 106 I C 2.320 178.543 176.117 0.177 0.000 1.084 106 I CA 1.611 63.049 61.300 0.229 0.000 1.365 106 I CB -0.414 37.735 38.000 0.249 0.000 1.064 106 I HN 0.427 nan 8.210 nan 0.000 0.410 107 D N 0.619 121.046 120.400 0.045 0.000 2.182 107 D HA -0.333 4.307 4.640 0.000 0.000 0.193 107 D C 2.008 178.350 176.300 0.071 0.000 0.999 107 D CA 2.079 56.063 54.000 -0.026 0.000 0.850 107 D CB -0.500 40.105 40.800 -0.325 0.000 0.994 107 D HN 0.363 nan 8.370 nan 0.000 0.450 108 W N 0.265 121.529 121.300 -0.060 0.000 2.290 108 W HA -0.284 4.377 4.660 0.000 0.000 0.323 108 W C 2.165 178.645 176.519 -0.065 0.000 1.260 108 W CA 1.965 59.270 57.345 -0.066 0.000 1.266 108 W CB -0.935 28.506 29.460 -0.032 0.000 1.149 108 W HN 0.219 nan 8.180 nan 0.000 0.482 109 L N 1.774 123.011 121.223 0.024 0.000 2.012 109 L HA -0.235 4.105 4.340 0.000 0.000 0.210 109 L C 2.722 179.382 176.870 -0.350 0.000 1.073 109 L CA 2.566 57.192 54.840 -0.356 0.000 0.748 109 L CB -1.354 40.509 42.059 -0.326 0.000 0.891 109 L HN 0.089 nan 8.230 nan 0.000 0.431 110 K N -0.961 119.418 120.400 -0.036 0.000 2.097 110 K HA -0.149 4.171 4.320 0.000 0.000 0.205 110 K C 1.950 178.595 176.600 0.076 0.000 1.050 110 K CA 1.891 58.318 56.287 0.233 0.000 0.938 110 K CB -0.235 32.454 32.500 0.314 0.000 0.718 110 K HN 0.588 nan 8.250 nan 0.000 0.442 111 T N -1.724 112.797 114.554 -0.055 0.000 2.942 111 T HA -0.033 4.317 4.350 0.000 0.000 0.265 111 T C 1.723 176.286 174.700 -0.229 0.000 1.062 111 T CA 0.597 62.638 62.100 -0.099 0.000 1.139 111 T CB 0.071 68.882 68.868 -0.095 0.000 0.883 111 T HN 0.176 nan 8.240 nan 0.000 0.468 112 Q N -0.764 118.772 119.800 -0.440 0.000 2.280 112 Q HA 0.213 4.553 4.340 0.000 0.000 0.202 112 Q C -0.416 175.103 176.000 -0.801 0.000 0.903 112 Q CA 0.070 55.448 55.803 -0.709 0.000 0.948 112 Q CB 0.282 28.283 28.738 -1.230 0.000 1.058 112 Q HN 0.816 nan 8.270 nan 0.000 0.493 113 Y N -2.635 117.481 120.300 -0.307 0.000 2.978 113 Y HA 0.151 4.701 4.550 0.000 0.000 0.304 113 Y C 0.629 176.614 175.900 0.141 0.000 0.957 113 Y CA -0.011 57.999 58.100 -0.149 0.000 1.204 113 Y CB 0.829 39.059 38.460 -0.384 0.000 1.428 113 Y HN 0.183 nan 8.280 nan 0.000 0.584 114 G N 1.888 110.840 108.800 0.254 0.000 2.894 114 G HA2 -0.042 3.918 3.960 0.000 0.000 0.247 114 G HA3 -0.042 3.918 3.960 0.000 0.000 0.247 114 G C 0.183 175.340 174.900 0.428 0.000 1.442 114 G CA -0.533 44.727 45.100 0.266 0.000 0.897 114 G HN 0.857 nan 8.290 nan 0.000 0.550 115 A N 1.928 124.873 122.820 0.208 0.000 2.584 115 A HA 0.503 4.823 4.320 0.000 0.000 0.239 115 A C -0.460 177.051 177.584 -0.121 0.000 1.043 115 A CA 0.764 52.837 52.037 0.061 0.000 0.756 115 A CB -0.252 18.745 19.000 -0.006 0.000 0.963 115 A HN 0.909 nan 8.150 nan 0.000 0.511 116 P HA 0.236 nan 4.420 nan 0.000 0.277 116 P C 0.808 177.760 177.300 -0.580 0.000 1.271 116 P CA -0.551 61.817 63.100 -1.220 0.000 0.795 116 P CB 0.787 31.134 31.700 -2.254 0.000 1.101 117 L N -0.398 120.539 121.223 -0.477 0.000 1.950 117 L HA -0.038 4.303 4.340 0.000 0.000 0.210 117 L C 1.703 178.483 176.870 -0.151 0.000 1.079 117 L CA 1.475 56.188 54.840 -0.212 0.000 0.754 117 L CB -0.609 41.404 42.059 -0.077 0.000 0.889 117 L HN 0.330 nan 8.230 nan 0.000 0.433 118 R N -0.351 120.066 120.500 -0.139 0.000 2.582 118 R HA 0.181 4.521 4.340 0.000 0.000 0.271 118 R C -0.230 175.956 176.300 -0.191 0.000 1.078 118 R CA -0.340 55.709 56.100 -0.084 0.000 1.127 118 R CB 0.495 30.752 30.300 -0.071 0.000 1.038 118 R HN 0.057 nan 8.270 nan 0.000 0.500 119 T N 2.094 116.581 114.554 -0.112 0.000 2.853 119 T HA 0.149 4.499 4.350 0.000 0.000 0.298 119 T C 0.034 174.676 174.700 -0.096 0.000 0.978 119 T CA -0.274 61.759 62.100 -0.112 0.000 1.152 119 T CB 0.512 69.345 68.868 -0.057 0.000 0.914 119 T HN 0.154 nan 8.240 nan 0.000 0.539 120 V N 3.654 123.504 119.914 -0.105 0.000 2.612 120 V HA 0.596 4.717 4.120 0.000 0.000 0.301 120 V C 0.161 176.292 176.094 0.062 0.000 1.046 120 V CA -0.738 61.557 62.300 -0.008 0.000 0.946 120 V CB 1.740 33.589 31.823 0.044 0.000 1.003 120 V HN 0.875 nan 8.190 nan 0.000 0.459 121 E N 1.370 121.638 120.200 0.113 0.000 2.343 121 E HA 0.636 4.987 4.350 0.000 0.000 0.278 121 E C -2.020 174.690 176.600 0.184 0.000 0.910 121 E CA -0.517 55.972 56.400 0.148 0.000 0.757 121 E CB 2.726 32.518 29.700 0.154 0.000 1.218 121 E HN 0.525 nan 8.360 nan 0.000 0.435 122 V N 4.431 124.454 119.914 0.181 0.000 2.581 122 V HA 0.766 4.887 4.120 0.000 0.000 0.303 122 V C -1.302 174.869 176.094 0.129 0.000 1.041 122 V CA -0.405 61.990 62.300 0.159 0.000 0.907 122 V CB 1.709 33.623 31.823 0.153 0.000 0.994 122 V HN 0.483 nan 8.190 nan 0.000 0.442 123 V N 6.301 126.280 119.914 0.109 0.000 2.841 123 V HA 0.986 5.106 4.120 0.000 0.000 0.310 123 V C -0.044 176.064 176.094 0.022 0.000 1.090 123 V CA 0.308 62.586 62.300 -0.037 0.000 0.930 123 V CB 1.840 33.625 31.823 -0.064 0.000 1.014 123 V HN 1.435 nan 8.190 nan 0.000 0.425 127 E N 0.600 120.992 120.200 0.319 0.000 8.380 127 E HA -0.115 4.235 4.350 0.000 0.000 0.467 127 E C -0.480 176.265 176.600 0.242 0.000 0.976 127 E CA 1.548 58.081 56.400 0.221 0.000 1.699 127 E CB -0.186 29.555 29.700 0.069 0.000 0.997 127 E HN 1.936 nan 8.360 nan 0.000 0.265 128 E N 3.180 123.443 120.200 0.105 0.000 2.472 128 E HA 0.334 4.684 4.350 0.000 0.000 0.290 128 E C -0.157 176.286 176.600 -0.261 0.000 1.059 128 E CA 0.150 56.526 56.400 -0.041 0.000 0.861 128 E CB 0.839 30.605 29.700 0.110 0.000 1.213 128 E HN 0.616 nan 8.360 nan 0.000 0.425 129 E N 1.736 121.650 120.200 -0.477 0.000 3.065 129 E HA -0.204 4.146 4.350 0.000 0.000 0.277 129 E C 0.123 176.605 176.600 -0.197 0.000 1.008 129 E CA 1.072 57.261 56.400 -0.352 0.000 0.864 129 E CB -1.553 27.991 29.700 -0.258 0.000 1.439 129 E HN 1.111 nan 8.360 nan 0.000 0.445 130 G N 0.689 109.406 108.800 -0.138 0.000 2.115 130 G HA2 0.025 3.986 3.960 0.000 0.000 0.244 130 G HA3 0.025 3.986 3.960 0.000 0.000 0.244 130 G C 0.473 175.336 174.900 -0.062 0.000 1.105 130 G CA 0.532 45.599 45.100 -0.056 0.000 0.893 130 G HN 0.196 nan 8.290 nan 0.000 0.443 131 S N 1.958 117.624 115.700 -0.056 0.000 2.583 131 S HA 0.166 4.636 4.470 0.000 0.000 0.239 131 S C 1.611 176.148 174.600 -0.105 0.000 0.966 131 S CA -0.410 57.743 58.200 -0.077 0.000 0.973 131 S CB 0.412 63.570 63.200 -0.071 0.000 0.794 131 S HN 0.740 nan 8.310 nan 0.000 0.463 132 R N -0.224 120.204 120.500 -0.119 0.000 2.215 132 R HA 0.331 4.671 4.340 0.000 0.000 0.190 132 R C -0.726 175.282 176.300 -0.487 0.000 0.968 132 R CA 0.499 56.409 56.100 -0.315 0.000 1.122 132 R CB 0.399 30.484 30.300 -0.358 0.000 1.151 132 R HN 0.260 nan 8.270 nan 0.000 0.582 133 F N 1.309 121.198 119.950 -0.101 0.000 2.575 133 F HA 0.441 4.969 4.527 0.000 0.000 0.330 133 F C -1.756 174.014 175.800 -0.051 0.000 1.056 133 F CA -2.689 55.258 58.000 -0.089 0.000 0.964 133 F CB 0.981 39.898 39.000 -0.137 0.000 1.258 133 F HN -0.032 nan 8.300 nan 0.000 0.484 134 P HA 0.057 nan 4.420 nan 0.000 0.231 134 P C -1.431 175.987 177.300 0.196 0.000 1.756 134 P CA 0.578 63.747 63.100 0.116 0.000 0.990 134 P CB -0.368 31.380 31.700 0.081 0.000 1.973 135 Y N 0.609 120.912 120.300 0.006 0.000 2.581 135 Y HA 0.430 4.981 4.550 0.000 0.000 0.337 135 Y C -1.011 174.882 175.900 -0.012 0.000 1.108 135 Y CA -0.941 57.164 58.100 0.009 0.000 1.033 135 Y CB 2.201 40.650 38.460 -0.019 0.000 1.318 135 Y HN 0.017 nan 8.280 nan 0.000 0.459 136 V N 0.607 120.336 119.914 -0.308 0.000 2.925 136 V HA 0.600 4.721 4.120 0.000 0.000 0.311 136 V C -0.755 175.247 176.094 -0.154 0.000 1.104 136 V CA -1.300 60.814 62.300 -0.310 0.000 0.954 136 V CB 1.868 33.355 31.823 -0.560 0.000 1.022 136 V HN 0.910 nan 8.190 nan 0.000 0.427 137 F N 0.774 120.787 119.950 0.107 0.000 2.988 137 F HA -0.186 4.342 4.527 0.001 0.000 0.287 137 F C 1.172 177.124 175.800 0.253 0.000 0.781 137 F CA 1.260 59.346 58.000 0.145 0.000 1.221 137 F CB -1.741 37.302 39.000 0.071 0.000 1.392 137 F HN 0.925 nan 8.300 nan 0.000 0.425 138 W N 1.208 122.705 121.300 0.329 0.000 2.359 138 W HA -0.142 4.518 4.660 0.001 0.000 0.275 138 W C 1.580 178.218 176.519 0.198 0.000 1.217 138 W CA 1.907 59.451 57.345 0.332 0.000 1.196 138 W CB -0.520 29.059 29.460 0.198 0.000 1.129 138 W HN 0.259 nan 8.180 nan 0.000 0.566 139 G N 0.534 109.435 108.800 0.167 0.000 2.473 139 G HA2 -0.245 3.715 3.960 0.000 0.000 0.212 139 G HA3 -0.245 3.715 3.960 0.000 0.000 0.212 139 G C 1.636 176.560 174.900 0.040 0.000 1.211 139 G CA 1.564 46.697 45.100 0.054 0.000 0.813 139 G HN 0.313 nan 8.290 nan 0.000 0.541 140 S N 0.437 116.243 115.700 0.176 0.000 2.423 140 S HA 0.018 4.488 4.470 0.000 0.000 0.231 140 S C 2.055 176.686 174.600 0.052 0.000 1.014 140 S CA 1.430 59.720 58.200 0.150 0.000 0.965 140 S CB -0.144 63.239 63.200 0.305 0.000 0.785 140 S HN 0.359 nan 8.310 nan 0.000 0.495 141 K N 1.593 122.034 120.400 0.069 0.000 2.026 141 K HA -0.027 4.294 4.320 0.000 0.000 0.208 141 K C 2.101 178.670 176.600 -0.052 0.000 1.048 141 K CA 1.693 58.007 56.287 0.045 0.000 0.929 141 K CB -0.327 32.261 32.500 0.146 0.000 0.713 141 K HN 0.508 nan 8.250 nan 0.000 0.439 142 N N 0.420 118.999 118.700 -0.202 0.000 2.244 142 N HA -0.094 4.646 4.740 0.000 0.000 0.183 142 N C 1.752 177.141 175.510 -0.202 0.000 1.016 142 N CA 0.676 53.558 53.050 -0.281 0.000 0.866 142 N CB -0.005 38.189 38.487 -0.488 0.000 0.980 142 N HN 0.100 nan 8.380 nan 0.000 0.430 143 I N -0.090 120.355 120.570 -0.209 0.000 2.208 143 I HA -0.262 3.908 4.170 0.000 0.000 0.245 143 I C 0.547 176.330 176.117 -0.556 0.000 1.097 143 I CA 1.427 62.516 61.300 -0.352 0.000 1.363 143 I CB -0.111 37.628 38.000 -0.434 0.000 1.051 143 I HN 0.130 nan 8.210 nan 0.000 0.413 144 F N 0.622 120.422 119.950 -0.250 0.000 2.684 144 F HA 0.347 4.874 4.527 0.000 0.000 0.298 144 F C 1.353 177.063 175.800 -0.151 0.000 1.120 144 F CA -0.183 57.683 58.000 -0.224 0.000 1.332 144 F CB 0.029 38.854 39.000 -0.293 0.000 0.986 144 F HN 0.052 nan 8.300 nan 0.000 0.524 145 G N 1.607 110.389 108.800 -0.031 0.000 2.352 145 G HA2 -0.276 3.685 3.960 0.000 0.000 0.283 145 G HA3 -0.276 3.685 3.960 0.000 0.000 0.283 145 G C 0.351 175.255 174.900 0.007 0.000 0.946 145 G CA 0.501 45.583 45.100 -0.029 0.000 1.317 145 G HN 0.559 nan 8.290 nan 0.000 0.478 146 L N -0.639 120.591 121.223 0.012 0.000 2.948 146 L HA 0.433 4.773 4.340 0.000 0.000 0.259 146 L C 1.686 178.610 176.870 0.090 0.000 1.136 146 L CA 0.458 55.323 54.840 0.042 0.000 0.959 146 L CB 0.401 42.481 42.059 0.034 0.000 1.370 146 L HN 0.506 nan 8.230 nan 0.000 0.552 147 A N 1.604 124.461 122.820 0.062 0.000 2.506 147 A HA 0.212 4.533 4.320 0.000 0.000 0.320 147 A C -0.072 177.583 177.584 0.118 0.000 1.424 147 A CA -0.200 51.930 52.037 0.155 0.000 1.044 147 A CB -0.380 18.595 19.000 -0.042 0.000 1.140 147 A HN 0.231 nan 8.150 nan 0.000 0.538 148 N N 3.431 122.235 118.700 0.174 0.000 2.468 148 N HA 0.173 4.913 4.740 0.000 0.000 0.265 148 N C -2.082 173.518 175.510 0.152 0.000 1.199 148 N CA -0.862 52.264 53.050 0.127 0.000 0.928 148 N CB 0.500 39.055 38.487 0.115 0.000 1.059 148 N HN 0.322 nan 8.380 nan 0.000 0.467 169 A N 0.499 123.282 122.820 -0.061 0.000 2.172 169 A HA 0.060 4.380 4.320 0.000 0.000 0.216 169 A C 1.480 179.062 177.584 -0.002 0.000 1.154 169 A CA 1.294 53.319 52.037 -0.020 0.000 0.701 169 A CB -0.762 18.246 19.000 0.014 0.000 0.789 169 A HN 0.463 nan 8.150 nan 0.000 0.465 170 C N -1.819 117.476 119.300 -0.008 0.000 3.038 170 C HA 0.542 5.002 4.460 0.000 0.000 0.279 170 C C 1.565 176.448 174.990 -0.178 0.000 1.276 170 C CA -0.174 58.877 59.018 0.055 0.000 1.697 170 C CB -0.769 27.151 27.740 0.301 0.000 2.032 170 C HN 1.126 nan 8.230 nan 0.000 0.636 171 G N 0.926 109.568 108.800 -0.263 0.000 2.325 171 G HA2 -0.173 3.787 3.960 0.000 0.000 0.248 171 G HA3 -0.173 3.787 3.960 0.000 0.000 0.248 171 G C -0.663 173.755 174.900 -0.803 0.000 1.108 171 G CA -0.404 44.404 45.100 -0.488 0.000 0.881 171 G HN 0.347 nan 8.290 nan 0.000 0.494 172 F N -0.113 119.764 119.950 -0.121 0.000 2.604 172 F HA 0.627 5.155 4.527 0.000 0.000 0.316 172 F C 0.288 176.021 175.800 -0.111 0.000 1.136 172 F CA -0.412 57.527 58.000 -0.101 0.000 0.989 172 F CB 2.220 41.157 39.000 -0.105 0.000 1.258 172 F HN 0.333 nan 8.300 nan 0.000 0.451 173 T N 1.480 116.121 114.554 0.145 0.000 2.809 173 T HA 0.625 4.976 4.350 0.000 0.000 0.296 173 T C -0.571 174.188 174.700 0.099 0.000 1.015 173 T CA -0.916 61.225 62.100 0.067 0.000 0.954 173 T CB 0.373 69.263 68.868 0.036 0.000 0.950 173 T HN 0.525 nan 8.240 nan 0.000 0.450 174 L N 2.104 123.382 121.223 0.091 0.000 2.499 174 L HA 0.484 4.824 4.340 0.000 0.000 0.273 174 L C -2.367 174.566 176.870 0.104 0.000 1.195 174 L CA -1.172 53.760 54.840 0.153 0.000 0.882 174 L CB -1.375 40.799 42.059 0.190 0.000 1.133 174 L HN 0.307 nan 8.230 nan 0.000 0.483 175 P HA -0.038 nan 4.420 nan 0.000 0.272 175 P C 0.066 177.396 177.300 0.050 0.000 1.210 175 P CA 0.234 63.371 63.100 0.061 0.000 0.789 175 P CB 0.398 32.123 31.700 0.042 0.000 0.849 176 N N -0.344 118.377 118.700 0.034 0.000 2.373 176 N HA 0.225 4.965 4.740 0.000 0.000 0.181 176 N C 0.250 175.776 175.510 0.026 0.000 1.082 176 N CA 0.420 53.486 53.050 0.027 0.000 0.885 176 N CB 0.271 38.770 38.487 0.019 0.000 0.977 176 N HN 0.431 nan 8.380 nan 0.000 0.462 177 A N 0.466 123.302 122.820 0.027 0.000 2.601 177 A HA 0.553 4.873 4.320 0.000 0.000 0.291 177 A C -2.880 174.714 177.584 0.017 0.000 1.075 177 A CA -1.040 51.011 52.037 0.023 0.000 0.671 177 A CB 0.587 19.596 19.000 0.016 0.000 1.277 177 A HN -0.207 nan 8.150 nan 0.000 0.417 178 P HA 0.301 nan 4.420 nan 0.000 0.260 178 P C -0.475 176.815 177.300 -0.016 0.000 1.185 178 P CA 0.113 63.213 63.100 -0.001 0.000 0.763 178 P CB -0.018 31.688 31.700 0.010 0.000 0.776 179 L N 2.712 123.911 121.223 -0.040 0.000 2.492 179 L HA 0.030 4.371 4.340 0.000 0.000 0.280 179 L C 1.166 178.009 176.870 -0.044 0.000 1.240 179 L CA 1.050 55.862 54.840 -0.046 0.000 0.831 179 L CB -0.730 41.284 42.059 -0.075 0.000 1.100 179 L HN 0.328 nan 8.230 nan 0.000 0.505 180 T N 2.732 117.260 114.554 -0.044 0.000 2.916 180 T HA 0.213 4.564 4.350 0.000 0.000 0.303 180 T C -2.140 172.521 174.700 -0.066 0.000 1.025 180 T CA -0.648 61.426 62.100 -0.042 0.000 1.142 180 T CB 0.452 69.296 68.868 -0.039 0.000 0.947 180 T HN 0.400 nan 8.240 nan 0.000 0.544 181 P HA 0.168 nan 4.420 nan 0.000 0.271 181 P C 0.081 177.310 177.300 -0.118 0.000 1.218 181 P CA -0.470 62.596 63.100 -0.056 0.000 0.780 181 P CB 0.514 32.233 31.700 0.031 0.000 0.901 182 R N 2.540 122.877 120.500 -0.271 0.000 2.491 182 R HA 0.107 4.448 4.340 0.000 0.000 0.283 182 R C 0.593 176.815 176.300 -0.130 0.000 1.072 182 R CA 0.438 56.370 56.100 -0.281 0.000 1.048 182 R CB 0.415 30.409 30.300 -0.510 0.000 0.983 182 R HN 0.572 nan 8.270 nan 0.000 0.450 183 Q N 0.742 120.498 119.800 -0.073 0.000 2.112 183 Q HA 0.039 4.379 4.340 0.000 0.000 0.222 183 Q C 0.015 176.012 176.000 -0.006 0.000 0.798 183 Q CA -0.055 55.741 55.803 -0.011 0.000 1.060 183 Q CB 0.926 29.658 28.738 -0.010 0.000 1.184 183 Q HN 0.613 nan 8.270 nan 0.000 0.475 184 D N -0.325 120.060 120.400 -0.024 0.000 2.449 184 D HA 0.036 4.677 4.640 0.000 0.000 0.210 184 D C 0.497 176.809 176.300 0.020 0.000 1.094 184 D CA -0.178 53.815 54.000 -0.012 0.000 0.846 184 D CB 0.490 41.268 40.800 -0.037 0.000 1.003 184 D HN 0.166 nan 8.370 nan 0.000 0.504 185 I N 1.866 122.468 120.570 0.052 0.000 2.578 185 I HA -0.011 4.159 4.170 0.000 0.000 0.286 185 I C 1.552 177.752 176.117 0.139 0.000 1.126 185 I CA -0.129 61.250 61.300 0.131 0.000 1.380 185 I CB 0.992 39.136 38.000 0.240 0.000 1.408 185 I HN -0.216 nan 8.210 nan 0.000 0.532 186 K N 5.399 125.859 120.400 0.099 0.000 2.296 186 K HA 0.236 4.557 4.320 0.000 0.000 0.200 186 K C 0.082 176.740 176.600 0.097 0.000 1.048 186 K CA 0.584 56.910 56.287 0.065 0.000 0.966 186 K CB 0.339 32.845 32.500 0.010 0.000 0.754 186 K HN 0.776 nan 8.250 nan 0.000 0.466 187 A N -0.408 122.503 122.820 0.153 0.000 2.573 187 A HA 0.438 4.758 4.320 0.000 0.000 0.299 187 A C -1.919 175.816 177.584 0.252 0.000 1.060 187 A CA -0.832 51.307 52.037 0.171 0.000 0.736 187 A CB 0.215 19.269 19.000 0.089 0.000 1.280 187 A HN 0.095 nan 8.150 nan 0.000 0.401 188 F N 2.430 122.436 119.950 0.094 0.000 2.480 188 F HA 0.765 5.292 4.527 0.000 0.000 0.329 188 F C -0.826 174.952 175.800 -0.037 0.000 1.091 188 F CA -0.824 57.182 58.000 0.009 0.000 0.972 188 F CB 2.085 41.036 39.000 -0.082 0.000 1.150 188 F HN 0.438 nan 8.300 nan 0.000 0.467 189 V N 5.276 124.671 119.914 -0.866 0.000 2.524 189 V HA 0.330 4.451 4.120 0.000 0.000 0.297 189 V C -0.854 174.685 176.094 -0.925 0.000 1.035 189 V CA -0.846 61.067 62.300 -0.645 0.000 0.867 189 V CB 1.479 33.128 31.823 -0.290 0.000 1.004 189 V HN 0.783 nan 8.190 nan 0.000 0.426 190 E N 4.632 124.425 120.200 -0.679 0.000 2.171 190 E HA 0.516 4.867 4.350 0.000 0.000 0.271 190 E C -1.489 175.033 176.600 -0.130 0.000 0.916 190 E CA -0.690 55.467 56.400 -0.405 0.000 0.774 190 E CB 1.822 31.438 29.700 -0.140 0.000 1.128 190 E HN 0.580 nan 8.360 nan 0.000 0.403 191 L N 6.300 127.465 121.223 -0.097 0.000 2.280 191 L HA 0.428 4.768 4.340 0.000 0.000 0.287 191 L C -1.345 175.536 176.870 0.019 0.000 1.023 191 L CA -0.263 54.573 54.840 -0.007 0.000 0.819 191 L CB 0.748 42.768 42.059 -0.066 0.000 1.212 191 L HN 0.782 nan 8.230 nan 0.000 0.420 192 H N 4.706 123.825 119.070 0.080 0.000 2.907 192 H HA 0.374 4.930 4.556 0.000 0.000 0.361 192 H C 0.422 175.654 175.328 -0.160 0.000 1.194 192 H CA -0.423 55.600 56.048 -0.042 0.000 1.152 192 H CB 2.460 32.110 29.762 -0.187 0.000 1.867 192 H HN 0.707 nan 8.280 nan 0.000 0.561 193 I N -0.868 119.707 120.570 0.008 0.000 3.752 193 I HA 0.138 4.308 4.170 0.000 0.000 0.313 193 I C 1.018 176.854 176.117 -0.468 0.000 1.304 193 I CA 0.529 61.713 61.300 -0.194 0.000 1.171 193 I CB -0.057 37.868 38.000 -0.124 0.000 1.038 193 I HN 0.697 nan 8.210 nan 0.000 0.427 194 E N 1.776 121.282 120.200 -1.157 0.000 5.229 194 E HA -0.465 3.885 4.350 0.000 0.000 0.167 194 E C 0.770 177.050 176.600 -0.533 0.000 1.240 194 E CA 2.311 57.849 56.400 -1.435 0.000 2.124 194 E CB -0.932 28.314 29.700 -0.757 0.000 1.848 194 E HN 0.853 nan 8.360 nan 0.000 0.388 195 Q N -1.712 117.897 119.800 -0.319 0.000 2.406 195 Q HA -0.230 4.110 4.340 0.000 0.000 0.236 195 Q C 0.149 176.070 176.000 -0.132 0.000 0.799 195 Q CA 1.088 56.780 55.803 -0.184 0.000 1.286 195 Q CB -1.625 27.026 28.738 -0.146 0.000 1.615 195 Q HN 0.532 nan 8.270 nan 0.000 0.621 196 G N -0.724 107.988 108.800 -0.147 0.000 3.176 196 G HA2 0.494 4.455 3.960 0.000 0.000 0.272 196 G HA3 0.494 4.455 3.960 0.000 0.000 0.272 196 G C 0.154 175.009 174.900 -0.074 0.000 1.349 196 G CA -0.062 44.987 45.100 -0.085 0.000 0.953 196 G HN 0.490 nan 8.290 nan 0.000 0.559 197 C N -0.191 119.082 119.300 -0.045 0.000 3.115 197 C HA 0.500 4.960 4.460 0.000 0.000 0.277 197 C C 1.886 176.863 174.990 -0.021 0.000 1.460 197 C CA -0.067 58.931 59.018 -0.035 0.000 1.789 197 C CB -0.912 26.813 27.740 -0.025 0.000 2.674 197 C HN 0.290 nan 8.230 nan 0.000 0.582 198 V N 1.787 121.692 119.914 -0.015 0.000 2.270 198 V HA -0.191 3.929 4.120 0.000 0.000 0.245 198 V C 2.666 178.762 176.094 0.003 0.000 1.043 198 V CA 2.176 64.476 62.300 -0.000 0.000 1.014 198 V CB -0.746 31.084 31.823 0.011 0.000 0.645 198 V HN 0.605 nan 8.190 nan 0.000 0.447 199 L N 0.139 121.368 121.223 0.009 0.000 2.046 199 L HA -0.208 4.133 4.340 0.000 0.000 0.208 199 L C 2.694 179.561 176.870 -0.005 0.000 1.077 199 L CA 2.000 56.846 54.840 0.011 0.000 0.747 199 L CB -0.642 41.432 42.059 0.025 0.000 0.896 199 L HN 0.470 nan 8.230 nan 0.000 0.432 200 E N 0.802 120.992 120.200 -0.017 0.000 2.026 200 E HA -0.238 4.112 4.350 0.000 0.000 0.206 200 E C 1.774 178.365 176.600 -0.015 0.000 1.028 200 E CA 2.221 58.607 56.400 -0.022 0.000 0.845 200 E CB -0.379 29.302 29.700 -0.032 0.000 0.772 200 E HN 0.229 nan 8.360 nan 0.000 0.462 201 S N 0.102 115.793 115.700 -0.013 0.000 2.803 201 S HA 0.060 4.530 4.470 0.000 0.000 0.226 201 S C 0.155 174.750 174.600 -0.008 0.000 0.962 201 S CA 0.568 58.762 58.200 -0.010 0.000 0.968 201 S CB -0.430 62.765 63.200 -0.008 0.000 0.786 201 S HN 0.313 nan 8.310 nan 0.000 0.527 202 N N 0.032 118.727 118.700 -0.008 0.000 2.118 202 N HA 0.242 4.982 4.740 0.000 0.000 0.226 202 N C 0.893 176.398 175.510 -0.008 0.000 1.305 202 N CA 0.482 53.527 53.050 -0.009 0.000 0.890 202 N CB 0.923 39.404 38.487 -0.011 0.000 1.118 202 N HN 0.289 nan 8.380 nan 0.000 0.511 203 G N 0.873 109.669 108.800 -0.006 0.000 2.225 203 G HA2 -0.319 3.642 3.960 0.000 0.000 0.267 203 G HA3 -0.319 3.642 3.960 0.000 0.000 0.267 203 G C -0.177 174.724 174.900 0.001 0.000 1.024 203 G CA 0.356 45.454 45.100 -0.004 0.000 0.784 203 G HN 0.364 nan 8.290 nan 0.000 0.507 204 Q N -0.775 119.026 119.800 0.002 0.000 2.257 204 Q HA 0.649 4.990 4.340 0.000 0.000 0.262 204 Q C 1.267 177.281 176.000 0.022 0.000 0.997 204 Q CA -0.145 55.666 55.803 0.013 0.000 0.873 204 Q CB 1.626 30.367 28.738 0.005 0.000 1.312 204 Q HN 0.430 nan 8.270 nan 0.000 0.450 205 S N 0.512 116.235 115.700 0.039 0.000 2.527 205 S HA 0.217 4.687 4.470 0.000 0.000 0.227 205 S C 0.617 175.254 174.600 0.062 0.000 1.059 205 S CA 0.016 58.238 58.200 0.037 0.000 0.919 205 S CB 0.598 63.817 63.200 0.032 0.000 0.805 205 S HN 0.421 nan 8.310 nan 0.000 0.500 206 I N 1.992 122.621 120.570 0.098 0.000 2.562 206 I HA 0.673 4.844 4.170 0.000 0.000 0.301 206 I C 0.290 176.503 176.117 0.161 0.000 1.003 206 I CA -0.720 60.658 61.300 0.131 0.000 1.127 206 I CB 1.211 39.295 38.000 0.140 0.000 1.304 206 I HN 0.315 nan 8.210 nan 0.000 0.446 207 G N 4.379 113.291 108.800 0.185 0.000 2.626 207 G HA2 0.522 4.482 3.960 0.000 0.000 0.304 207 G HA3 0.522 4.482 3.960 0.000 0.000 0.304 207 G C -1.102 173.854 174.900 0.094 0.000 1.385 207 G CA -0.271 44.935 45.100 0.176 0.000 0.957 207 G HN 0.283 nan 8.290 nan 0.000 0.504 208 V N 3.823 123.783 119.914 0.076 0.000 2.258 208 V HA 0.073 4.193 4.120 0.000 0.000 0.258 208 V C 0.628 176.685 176.094 -0.063 0.000 1.121 208 V CA -0.510 61.810 62.300 0.033 0.000 0.942 208 V CB 0.878 32.778 31.823 0.128 0.000 1.170 208 V HN 0.534 nan 8.190 nan 0.000 0.487 209 V N 6.345 126.139 119.914 -0.201 0.000 2.441 209 V HA -0.048 4.072 4.120 0.000 0.000 0.279 209 V C 1.488 177.507 176.094 -0.124 0.000 0.990 209 V CA 0.609 62.735 62.300 -0.290 0.000 1.116 209 V CB -0.143 31.381 31.823 -0.499 0.000 0.977 209 V HN 1.090 nan 8.190 nan 0.000 0.470 210 N N 3.937 122.601 118.700 -0.060 0.000 2.376 210 N HA 0.284 5.024 4.740 0.000 0.000 0.177 210 N C 0.244 175.749 175.510 -0.008 0.000 1.024 210 N CA 0.774 53.814 53.050 -0.017 0.000 0.893 210 N CB 0.355 38.845 38.487 0.005 0.000 0.980 210 N HN 0.719 nan 8.380 nan 0.000 0.439 211 A N -0.515 122.304 122.820 -0.001 0.000 2.608 211 A HA 0.601 4.921 4.320 0.000 0.000 0.292 211 A C -1.754 175.850 177.584 0.032 0.000 1.066 211 A CA -0.788 51.258 52.037 0.016 0.000 0.676 211 A CB 0.758 19.771 19.000 0.023 0.000 1.277 211 A HN 0.119 nan 8.150 nan 0.000 0.413 212 I N 1.331 121.920 120.570 0.031 0.000 2.354 212 I HA 0.327 4.498 4.170 0.000 0.000 0.292 212 I C 0.391 176.540 176.117 0.052 0.000 0.989 212 I CA -0.899 60.425 61.300 0.039 0.000 1.188 212 I CB 1.705 39.720 38.000 0.025 0.000 1.342 212 I HN 0.545 nan 8.210 nan 0.000 0.457 213 V N 6.285 126.251 119.914 0.087 0.000 2.814 213 V HA 0.043 4.164 4.120 0.000 0.000 0.307 213 V C 0.873 176.992 176.094 0.042 0.000 1.089 213 V CA 0.483 62.833 62.300 0.082 0.000 1.212 213 V CB 1.040 32.931 31.823 0.112 0.000 0.912 213 V HN 0.918 nan 8.190 nan 0.000 0.497 214 G N 6.035 114.859 108.800 0.040 0.000 3.288 214 G HA2 0.344 4.304 3.960 0.000 0.000 0.337 214 G HA3 0.344 4.304 3.960 0.000 0.000 0.337 214 G C -0.066 174.834 174.900 0.001 0.000 1.142 214 G CA -0.449 44.660 45.100 0.015 0.000 1.304 214 G HN 0.832 nan 8.290 nan 0.000 0.475 215 Q N 0.605 120.394 119.800 -0.018 0.000 2.394 215 Q HA 0.135 4.475 4.340 0.000 0.000 0.303 215 Q C 0.074 176.012 176.000 -0.104 0.000 1.117 215 Q CA 0.679 56.450 55.803 -0.052 0.000 0.966 215 Q CB 0.958 29.652 28.738 -0.073 0.000 1.275 215 Q HN 0.474 nan 8.270 nan 0.000 0.429 216 R N 0.547 120.967 120.500 -0.133 0.000 2.584 216 R HA 0.448 4.788 4.340 0.000 0.000 0.276 216 R C -1.260 174.861 176.300 -0.298 0.000 1.046 216 R CA -0.560 55.406 56.100 -0.223 0.000 0.906 216 R CB 1.663 31.911 30.300 -0.086 0.000 1.215 216 R HN 0.566 nan 8.270 nan 0.000 0.449 217 R N 2.526 122.655 120.500 -0.619 0.000 2.604 217 R HA 0.399 4.740 4.340 0.000 0.000 0.281 217 R C -1.514 174.293 176.300 -0.822 0.000 1.020 217 R CA -0.783 54.894 56.100 -0.704 0.000 0.899 217 R CB 1.844 31.372 30.300 -1.286 0.000 1.205 217 R HN 0.402 nan 8.270 nan 0.000 0.450 218 Y N -0.316 119.823 120.300 -0.268 0.000 2.598 218 Y HA 0.488 5.038 4.550 0.000 0.000 0.340 218 Y C 0.312 176.390 175.900 0.296 0.000 1.038 218 Y CA -0.963 57.139 58.100 0.003 0.000 1.100 218 Y CB 2.497 40.939 38.460 -0.030 0.000 1.281 218 Y HN 0.374 nan 8.280 nan 0.000 0.488 219 T N 1.667 116.478 114.554 0.428 0.000 3.133 219 T HA 0.381 4.732 4.350 0.000 0.000 0.368 219 T C -1.074 173.622 174.700 -0.007 0.000 1.190 219 T CA -0.532 61.674 62.100 0.177 0.000 1.282 219 T CB -0.122 68.805 68.868 0.098 0.000 1.042 219 T HN 0.298 nan 8.240 nan 0.000 0.536 220 V N 3.304 123.048 119.914 -0.282 0.000 2.461 220 V HA 0.446 4.567 4.120 0.000 0.000 0.275 220 V C 0.551 176.441 176.094 -0.341 0.000 1.047 220 V CA -0.430 61.640 62.300 -0.384 0.000 0.955 220 V CB 1.107 32.490 31.823 -0.732 0.000 0.988 220 V HN 0.788 nan 8.190 nan 0.000 0.471 221 T N 6.409 120.910 114.554 -0.088 0.000 2.779 221 T HA 0.627 4.977 4.350 0.000 0.000 0.280 221 T C -0.610 174.144 174.700 0.090 0.000 0.987 221 T CA -0.409 61.696 62.100 0.008 0.000 0.966 221 T CB 1.295 70.169 68.868 0.010 0.000 0.933 221 T HN 0.236 nan 8.240 nan 0.000 0.442 222 L N 4.270 125.589 121.223 0.159 0.000 2.296 222 L HA 0.441 4.782 4.340 0.000 0.000 0.286 222 L C -0.007 176.926 176.870 0.106 0.000 1.023 222 L CA -0.390 54.548 54.840 0.164 0.000 0.812 222 L CB 1.083 43.286 42.059 0.240 0.000 1.223 222 L HN 0.556 nan 8.230 nan 0.000 0.421 223 N N 2.971 121.719 118.700 0.080 0.000 2.518 223 N HA 0.484 5.224 4.740 0.000 0.000 0.254 223 N C 0.174 175.718 175.510 0.057 0.000 0.979 223 N CA -0.067 53.019 53.050 0.060 0.000 0.930 223 N CB 2.180 40.695 38.487 0.046 0.000 1.152 223 N HN 0.795 nan 8.380 nan 0.000 0.505 224 G N 1.042 109.877 108.800 0.058 0.000 3.157 224 G HA2 0.269 4.229 3.960 0.000 0.000 0.206 224 G HA3 0.269 4.229 3.960 0.000 0.000 0.206 224 G C -0.659 174.272 174.900 0.052 0.000 1.903 224 G CA 0.104 45.238 45.100 0.057 0.000 0.771 224 G HN 0.457 nan 8.290 nan 0.000 0.750 225 E N -0.565 119.669 120.200 0.056 0.000 2.397 225 E HA 0.420 4.771 4.350 0.000 0.000 0.293 225 E C -1.412 175.220 176.600 0.053 0.000 0.930 225 E CA -0.492 55.940 56.400 0.053 0.000 0.793 225 E CB 1.572 31.306 29.700 0.057 0.000 1.259 225 E HN 0.278 nan 8.360 nan 0.000 0.406 226 S N 3.443 119.170 115.700 0.044 0.000 2.528 226 S HA 0.446 4.917 4.470 0.000 0.000 0.277 226 S C -0.376 174.252 174.600 0.046 0.000 1.297 226 S CA -0.538 57.685 58.200 0.039 0.000 1.052 226 S CB 0.415 63.632 63.200 0.028 0.000 0.917 226 S HN 0.408 nan 8.310 nan 0.000 0.492 227 N N 0.685 119.414 118.700 0.049 0.000 2.416 227 N HA 0.172 4.912 4.740 0.000 0.000 0.276 227 N C -1.022 174.534 175.510 0.077 0.000 1.261 227 N CA -0.693 52.397 53.050 0.068 0.000 0.790 227 N CB 1.130 39.660 38.487 0.072 0.000 1.554 227 N HN 0.755 nan 8.380 nan 0.000 0.481 228 H N 0.483 119.552 119.070 -0.003 0.000 3.034 228 H HA 0.153 4.709 4.556 0.000 0.000 0.324 228 H C 1.188 176.508 175.328 -0.012 0.000 1.015 228 H CA 0.375 56.417 56.048 -0.010 0.000 1.429 228 H CB 0.770 30.521 29.762 -0.018 0.000 1.429 228 H HN 0.711 nan 8.280 nan 0.000 0.585 229 A N 3.448 126.220 122.820 -0.081 0.000 2.178 229 A HA -0.051 4.269 4.320 0.000 0.000 0.218 229 A C 2.022 179.672 177.584 0.109 0.000 1.157 229 A CA 1.449 53.487 52.037 0.002 0.000 0.689 229 A CB -0.323 18.634 19.000 -0.072 0.000 0.787 229 A HN 0.894 nan 8.150 nan 0.000 0.465 230 G N -1.867 107.145 108.800 0.353 0.000 2.659 230 G HA2 0.088 4.049 3.960 0.000 0.000 0.197 230 G HA3 0.088 4.049 3.960 0.000 0.000 0.197 230 G C 1.448 176.397 174.900 0.081 0.000 1.099 230 G CA 1.162 46.384 45.100 0.204 0.000 0.759 230 G HN 0.588 nan 8.290 nan 0.000 0.715 231 T N -1.722 112.832 114.554 -0.000 0.000 2.985 231 T HA 0.079 4.429 4.350 0.000 0.000 0.266 231 T C 1.278 175.892 174.700 -0.145 0.000 1.076 231 T CA 1.348 63.320 62.100 -0.212 0.000 1.135 231 T CB -0.077 68.509 68.868 -0.471 0.000 0.890 231 T HN 0.123 nan 8.240 nan 0.000 0.480 232 T N 3.592 118.110 114.554 -0.060 0.000 2.728 232 T HA 0.483 4.834 4.350 0.000 0.000 0.296 232 T C -2.518 172.128 174.700 -0.090 0.000 0.940 232 T CA -1.929 60.112 62.100 -0.097 0.000 1.013 232 T CB 0.529 69.393 68.868 -0.006 0.000 0.912 232 T HN 0.148 nan 8.240 nan 0.000 0.484 236 Y N 2.170 122.484 120.300 0.022 0.000 2.490 236 Y HA 0.447 4.997 4.550 0.000 0.000 0.281 236 Y C 1.661 177.580 175.900 0.033 0.000 1.174 236 Y CA -0.395 57.720 58.100 0.024 0.000 1.295 236 Y CB 0.066 38.538 38.460 0.019 0.000 1.062 236 Y HN -0.011 nan 8.280 nan 0.000 0.522 237 R N 0.625 121.240 120.500 0.191 0.000 2.560 237 R HA 0.434 4.774 4.340 0.000 0.000 0.270 237 R C 0.217 176.589 176.300 0.120 0.000 1.074 237 R CA -0.528 55.653 56.100 0.136 0.000 1.140 237 R CB 0.731 31.099 30.300 0.113 0.000 1.073 237 R HN -0.006 nan 8.270 nan 0.000 0.527 238 R N 1.425 121.990 120.500 0.109 0.000 2.701 238 R HA 0.085 4.425 4.340 0.000 0.000 0.281 238 R C -1.000 175.362 176.300 0.104 0.000 1.367 238 R CA -0.403 55.755 56.100 0.097 0.000 1.510 238 R CB 0.503 30.847 30.300 0.074 0.000 1.306 238 R HN 0.585 nan 8.270 nan 0.000 0.682 239 D N 1.143 121.627 120.400 0.141 0.000 2.451 239 D HA -0.061 4.579 4.640 0.000 0.000 0.254 239 D C 0.891 177.273 176.300 0.136 0.000 1.204 239 D CA 0.951 55.041 54.000 0.150 0.000 0.896 239 D CB 1.251 42.178 40.800 0.212 0.000 1.136 239 D HN 0.111 nan 8.370 nan 0.000 0.499 240 T N 2.214 116.831 114.554 0.105 0.000 3.129 240 T HA 0.044 4.395 4.350 0.000 0.000 0.251 240 T C 1.509 176.276 174.700 0.111 0.000 1.117 240 T CA 0.234 62.392 62.100 0.098 0.000 1.034 240 T CB 0.236 69.157 68.868 0.089 0.000 0.968 240 T HN 0.225 nan 8.240 nan 0.000 0.526 241 V N -0.132 119.856 119.914 0.124 0.000 3.263 241 V HA 0.175 4.295 4.120 0.000 0.000 0.248 241 V C 1.621 177.839 176.094 0.206 0.000 1.145 241 V CA 0.376 62.760 62.300 0.140 0.000 1.107 241 V CB -0.382 31.495 31.823 0.091 0.000 0.797 241 V HN 0.648 nan 8.190 nan 0.000 0.467 242 Y N 1.188 121.515 120.300 0.044 0.000 2.263 242 Y HA -0.107 4.443 4.550 0.000 0.000 0.292 242 Y C 2.397 178.292 175.900 -0.008 0.000 1.130 242 Y CA 1.188 59.298 58.100 0.018 0.000 1.179 242 Y CB 0.008 38.475 38.460 0.013 0.000 0.998 242 Y HN 0.221 nan 8.280 nan 0.000 0.532 243 A N 0.932 123.697 122.820 -0.090 0.000 1.865 243 A HA -0.268 4.052 4.320 0.000 0.000 0.217 243 A C 2.061 179.523 177.584 -0.203 0.000 1.191 243 A CA 1.735 53.649 52.037 -0.205 0.000 0.623 243 A CB -1.610 17.355 19.000 -0.059 0.000 0.826 243 A HN 0.697 nan 8.150 nan 0.000 0.444 244 F N 1.479 121.272 119.950 -0.262 0.000 2.069 244 F HA -0.199 4.329 4.527 0.001 0.000 0.298 244 F C 2.534 178.089 175.800 -0.408 0.000 1.113 244 F CA 2.043 59.764 58.000 -0.465 0.000 1.214 244 F CB -0.586 38.156 39.000 -0.430 0.000 0.978 244 F HN 0.194 nan 8.300 nan 0.000 0.474 245 S N 0.038 115.590 115.700 -0.246 0.000 2.387 245 S HA -0.269 4.201 4.470 0.000 0.000 0.230 245 S C 2.040 176.464 174.600 -0.293 0.000 1.035 245 S CA 1.628 59.687 58.200 -0.235 0.000 1.014 245 S CB -0.427 62.816 63.200 0.072 0.000 0.836 245 S HN 0.392 nan 8.310 nan 0.000 0.466 246 R N 0.374 120.685 120.500 -0.316 0.000 2.093 246 R HA 0.188 4.528 4.340 0.000 0.000 0.224 246 R C 2.064 178.138 176.300 -0.377 0.000 1.101 246 R CA 0.870 56.779 56.100 -0.317 0.000 0.979 246 R CB -0.178 29.883 30.300 -0.397 0.000 0.877 246 R HN 0.379 nan 8.270 nan 0.000 0.441 247 I N -0.564 119.709 120.570 -0.495 0.000 2.353 247 I HA -0.302 3.868 4.170 0.000 0.000 0.248 247 I C 2.543 178.242 176.117 -0.697 0.000 1.119 247 I CA 0.727 61.726 61.300 -0.502 0.000 1.417 247 I CB -0.228 37.490 38.000 -0.469 0.000 1.078 247 I HN 0.360 nan 8.210 nan 0.000 0.421 248 C N 0.200 118.804 119.300 -1.159 0.000 2.508 248 C HA -0.198 4.262 4.460 0.000 0.000 0.280 248 C C 2.076 176.774 174.990 -0.487 0.000 1.262 248 C CA 0.469 58.673 59.018 -1.357 0.000 1.706 248 C CB -1.021 25.771 27.740 -1.579 0.000 2.078 248 C HN 0.460 nan 8.230 nan 0.000 0.480 249 H N 0.627 119.422 119.070 -0.459 0.000 3.216 249 H HA 0.178 4.735 4.556 0.000 0.000 0.263 249 H C 0.984 176.206 175.328 -0.177 0.000 1.601 249 H CA 0.414 56.325 56.048 -0.230 0.000 1.509 249 H CB -0.263 29.390 29.762 -0.182 0.000 1.759 249 H HN 0.726 nan 8.280 nan 0.000 0.533 250 Q N 1.707 121.473 119.800 -0.057 0.000 5.809 250 Q HA -0.124 4.216 4.340 0.000 0.000 0.288 250 Q C 0.762 176.757 176.000 -0.008 0.000 0.852 250 Q CA 0.561 56.298 55.803 -0.110 0.000 0.694 250 Q CB -0.509 28.119 28.738 -0.184 0.000 0.763 250 Q HN 0.522 nan 8.270 nan 0.000 0.678 251 S N 0.623 116.330 115.700 0.011 0.000 2.387 251 S HA -0.013 4.458 4.470 0.000 0.000 0.226 251 S C 1.814 176.589 174.600 0.293 0.000 1.026 251 S CA 1.479 59.758 58.200 0.133 0.000 0.972 251 S CB 0.067 63.394 63.200 0.212 0.000 0.814 251 S HN 0.292 nan 8.310 nan 0.000 0.477 252 V N 2.057 122.122 119.914 0.252 0.000 2.270 252 V HA -0.086 4.035 4.120 0.000 0.000 0.245 252 V C 2.458 178.665 176.094 0.188 0.000 1.043 252 V CA 1.416 63.866 62.300 0.250 0.000 1.014 252 V CB -0.522 31.419 31.823 0.197 0.000 0.645 252 V HN 0.325 nan 8.190 nan 0.000 0.447 253 E N 0.008 120.303 120.200 0.158 0.000 2.396 253 E HA -0.170 4.180 4.350 0.000 0.000 0.200 253 E C 2.106 178.784 176.600 0.129 0.000 1.023 253 E CA 0.902 57.380 56.400 0.128 0.000 0.857 253 E CB -0.076 29.698 29.700 0.124 0.000 0.775 253 E HN 0.568 nan 8.360 nan 0.000 0.525 254 K N -0.310 120.203 120.400 0.188 0.000 2.029 254 K HA 0.083 4.403 4.320 0.000 0.000 0.205 254 K C 2.129 178.897 176.600 0.279 0.000 1.042 254 K CA 0.769 57.212 56.287 0.260 0.000 0.949 254 K CB -0.073 32.620 32.500 0.322 0.000 0.740 254 K HN 0.002 nan 8.250 nan 0.000 0.442 255 A N 2.173 125.179 122.820 0.311 0.000 1.948 255 A HA -0.228 4.093 4.320 0.000 0.000 0.220 255 A C 1.913 179.462 177.584 -0.058 0.000 1.177 255 A CA 1.659 53.636 52.037 -0.101 0.000 0.636 255 A CB -0.371 18.599 19.000 -0.050 0.000 0.815 255 A HN 0.213 nan 8.150 nan 0.000 0.449 256 K N -0.437 119.985 120.400 0.037 0.000 2.063 256 K HA -0.103 4.217 4.320 0.000 0.000 0.208 256 K C 1.098 177.706 176.600 0.013 0.000 1.048 256 K CA 0.927 57.228 56.287 0.023 0.000 0.928 256 K CB -0.112 32.416 32.500 0.048 0.000 0.713 256 K HN 0.467 nan 8.250 nan 0.000 0.442 260 D N 0.611 120.967 120.400 -0.072 0.000 2.378 260 D HA 0.262 4.902 4.640 0.000 0.000 0.238 260 D C -1.050 175.138 176.300 -0.187 0.000 1.180 260 D CA -0.534 53.402 54.000 -0.107 0.000 0.895 260 D CB 1.344 42.113 40.800 -0.053 0.000 1.192 260 D HN 0.236 nan 8.370 nan 0.000 0.438 261 P HA 0.099 nan 4.420 nan 0.000 0.256 261 P C 0.138 177.215 177.300 -0.371 0.000 1.384 261 P CA -0.322 62.534 63.100 -0.406 0.000 0.879 261 P CB 0.147 31.302 31.700 -0.908 0.000 1.403 262 L N 2.022 123.050 121.223 -0.324 0.000 2.456 262 L HA 0.210 4.550 4.340 0.000 0.000 0.272 262 L C -0.246 176.540 176.870 -0.140 0.000 1.189 262 L CA -0.070 54.651 54.840 -0.199 0.000 0.846 262 L CB 0.712 42.655 42.059 -0.193 0.000 1.111 262 L HN -0.046 nan 8.230 nan 0.000 0.475 263 V N 4.515 124.372 119.914 -0.095 0.000 2.668 263 V HA 0.541 4.661 4.120 0.000 0.000 0.304 263 V C -1.005 175.074 176.094 -0.026 0.000 1.071 263 V CA -0.797 61.477 62.300 -0.043 0.000 0.894 263 V CB 1.420 33.241 31.823 -0.004 0.000 1.008 263 V HN 0.811 nan 8.190 nan 0.000 0.425 264 L N 3.945 125.167 121.223 -0.001 0.000 2.346 264 L HA 0.918 5.258 4.340 0.000 0.000 0.276 264 L C -0.643 176.228 176.870 0.001 0.000 1.006 264 L CA -0.027 54.825 54.840 0.020 0.000 0.817 264 L CB 2.455 44.601 42.059 0.144 0.000 1.272 264 L HN 1.010 nan 8.230 nan 0.000 0.421 265 T N 3.537 118.020 114.554 -0.118 0.000 3.237 265 T HA 0.362 4.712 4.350 0.000 0.000 0.319 265 T C -0.843 173.778 174.700 -0.132 0.000 1.037 265 T CA -0.268 61.810 62.100 -0.035 0.000 1.048 265 T CB 0.732 69.618 68.868 0.030 0.000 1.081 265 T HN 0.203 nan 8.240 nan 0.000 0.455 266 F N 2.269 122.340 119.950 0.202 0.000 2.329 266 F HA 0.480 5.007 4.527 0.000 0.000 0.362 266 F C 1.396 177.352 175.800 0.259 0.000 1.113 266 F CA -0.799 57.385 58.000 0.306 0.000 1.212 266 F CB 0.829 40.065 39.000 0.393 0.000 1.509 266 F HN 0.806 nan 8.300 nan 0.000 0.546 267 G N 1.673 110.650 108.800 0.294 0.000 2.603 267 G HA2 -0.040 3.920 3.960 0.000 0.000 0.214 267 G HA3 -0.040 3.920 3.960 0.000 0.000 0.214 267 G C 0.417 175.430 174.900 0.188 0.000 1.140 267 G CA -0.086 45.142 45.100 0.214 0.000 0.800 267 G HN 0.351 nan 8.290 nan 0.000 0.533 268 K N 0.812 121.340 120.400 0.213 0.000 2.450 268 K HA 0.535 4.855 4.320 0.000 0.000 0.257 268 K C -1.416 175.260 176.600 0.128 0.000 0.953 268 K CA -0.393 55.980 56.287 0.143 0.000 0.844 268 K CB 1.972 34.545 32.500 0.121 0.000 1.103 268 K HN -0.068 nan 8.250 nan 0.000 0.429 269 V N 2.693 122.614 119.914 0.012 0.000 2.815 269 V HA 0.488 4.609 4.120 0.000 0.000 0.314 269 V C -0.631 175.418 176.094 -0.076 0.000 1.064 269 V CA -0.815 61.409 62.300 -0.127 0.000 0.952 269 V CB 1.847 33.425 31.823 -0.408 0.000 1.020 269 V HN 0.855 nan 8.190 nan 0.000 0.439 270 E N 2.861 123.017 120.200 -0.074 0.000 2.829 270 E HA 0.250 4.601 4.350 0.000 0.000 0.350 270 E C -2.838 173.744 176.600 -0.030 0.000 1.119 270 E CA -1.144 55.232 56.400 -0.039 0.000 0.764 270 E CB 2.174 31.867 29.700 -0.012 0.000 1.576 270 E HN 0.533 nan 8.360 nan 0.000 0.379 271 P HA 0.338 nan 4.420 nan 0.000 0.274 271 P C -0.520 176.777 177.300 -0.006 0.000 1.256 271 P CA -0.610 62.478 63.100 -0.020 0.000 0.795 271 P CB 1.059 32.743 31.700 -0.028 0.000 1.038 272 R N 0.329 120.833 120.500 0.006 0.000 2.584 272 R HA 0.335 4.675 4.340 0.000 0.000 0.276 272 R C -1.931 174.375 176.300 0.009 0.000 1.046 272 R CA -1.859 54.244 56.100 0.005 0.000 0.906 272 R CB 1.478 31.783 30.300 0.009 0.000 1.215 272 R HN 0.230 nan 8.270 nan 0.000 0.449 273 P HA -0.159 nan 4.420 nan 0.000 0.226 273 P C -0.510 176.785 177.300 -0.007 0.000 1.153 273 P CA 0.874 63.972 63.100 -0.003 0.000 0.777 273 P CB 0.104 31.800 31.700 -0.006 0.000 0.794 274 N N 0.716 119.412 118.700 -0.007 0.000 2.758 274 N HA -0.096 4.644 4.740 0.000 0.000 0.248 274 N C -1.042 174.460 175.510 -0.014 0.000 1.076 274 N CA 1.124 54.168 53.050 -0.011 0.000 0.696 274 N CB -2.055 36.424 38.487 -0.013 0.000 0.979 274 N HN 0.283 nan 8.380 nan 0.000 0.550 275 T N -3.973 110.570 114.554 -0.018 0.000 2.912 275 T HA 0.472 4.822 4.350 0.000 0.000 0.288 275 T C 1.439 176.122 174.700 -0.028 0.000 1.030 275 T CA -0.162 61.924 62.100 -0.023 0.000 1.020 275 T CB 2.123 70.974 68.868 -0.028 0.000 1.056 275 T HN 0.117 nan 8.240 nan 0.000 0.480 276 V N 1.921 121.817 119.914 -0.029 0.000 2.277 276 V HA -0.238 3.882 4.120 0.000 0.000 0.253 276 V C 1.455 177.522 176.094 -0.046 0.000 1.067 276 V CA 2.685 64.966 62.300 -0.032 0.000 1.047 276 V CB -1.033 30.772 31.823 -0.030 0.000 0.649 276 V HN 1.051 nan 8.190 nan 0.000 0.447 277 N N -1.076 117.582 118.700 -0.070 0.000 2.453 277 N HA 0.308 5.048 4.740 0.000 0.000 0.270 277 N C -0.885 174.536 175.510 -0.149 0.000 1.195 277 N CA -0.367 52.615 53.050 -0.114 0.000 0.902 277 N CB 0.961 39.358 38.487 -0.150 0.000 1.186 277 N HN 0.324 nan 8.380 nan 0.000 0.510 278 V N 0.914 120.776 119.914 -0.086 0.000 2.612 278 V HA 0.211 4.332 4.120 0.000 0.000 0.301 278 V C 0.142 176.222 176.094 -0.024 0.000 1.059 278 V CA -0.988 61.273 62.300 -0.065 0.000 0.886 278 V CB 1.856 33.651 31.823 -0.048 0.000 1.007 278 V HN 0.003 nan 8.190 nan 0.000 0.426 279 V N 7.453 127.366 119.914 -0.002 0.000 2.529 279 V HA 0.155 4.276 4.120 0.000 0.000 0.292 279 V C -1.676 174.434 176.094 0.027 0.000 1.028 279 V CA -1.018 61.294 62.300 0.021 0.000 1.074 279 V CB 0.919 32.767 31.823 0.040 0.000 0.958 279 V HN 0.741 nan 8.190 nan 0.000 0.481 280 P HA 0.089 nan 4.420 nan 0.000 0.266 280 P C 0.633 177.960 177.300 0.045 0.000 1.215 280 P CA 0.209 63.328 63.100 0.032 0.000 0.763 280 P CB 1.033 32.751 31.700 0.031 0.000 0.806 281 G N 2.846 111.670 108.800 0.040 0.000 3.284 281 G HA2 0.130 4.090 3.960 0.000 0.000 0.236 281 G HA3 0.130 4.090 3.960 0.000 0.000 0.236 281 G C 0.275 175.203 174.900 0.047 0.000 1.158 281 G CA -0.067 45.061 45.100 0.046 0.000 0.774 281 G HN 0.551 nan 8.290 nan 0.000 0.545 282 K N -0.535 119.894 120.400 0.048 0.000 2.589 282 K HA 0.479 4.799 4.320 0.000 0.000 0.265 282 K C -1.920 174.714 176.600 0.056 0.000 0.935 282 K CA -0.489 55.830 56.287 0.054 0.000 0.850 282 K CB 1.422 33.945 32.500 0.039 0.000 1.372 282 K HN -0.082 nan 8.250 nan 0.000 0.420 283 T N 2.531 117.135 114.554 0.084 0.000 3.483 283 T HA 0.273 4.623 4.350 0.000 0.000 0.329 283 T C -1.499 173.301 174.700 0.167 0.000 1.014 283 T CA -0.582 61.574 62.100 0.093 0.000 1.056 283 T CB 1.583 70.502 68.868 0.085 0.000 1.090 283 T HN 0.502 nan 8.240 nan 0.000 0.460 284 T N 4.943 119.565 114.554 0.113 0.000 2.753 284 T HA 0.619 4.969 4.350 0.000 0.000 0.297 284 T C -0.233 174.555 174.700 0.148 0.000 0.981 284 T CA -0.548 61.611 62.100 0.098 0.000 0.956 284 T CB -0.320 68.564 68.868 0.027 0.000 0.936 284 T HN 0.497 nan 8.240 nan 0.000 0.463 285 F N 0.384 120.374 119.950 0.066 0.000 2.594 285 F HA 0.909 5.436 4.527 0.000 0.000 0.335 285 F C 0.083 176.017 175.800 0.223 0.000 1.058 285 F CA -1.090 56.974 58.000 0.106 0.000 0.981 285 F CB 1.315 40.408 39.000 0.155 0.000 1.289 285 F HN 0.305 nan 8.300 nan 0.000 0.490 286 T N 1.361 116.140 114.554 0.374 0.000 2.924 286 T HA 0.754 5.104 4.350 0.000 0.000 0.291 286 T C -1.072 173.818 174.700 0.316 0.000 1.045 286 T CA -0.678 61.579 62.100 0.262 0.000 1.015 286 T CB 1.128 70.150 68.868 0.256 0.000 1.103 286 T HN 0.603 nan 8.240 nan 0.000 0.496 287 I N 2.477 123.146 120.570 0.165 0.000 2.647 287 I HA 0.460 4.631 4.170 0.000 0.000 0.295 287 I C -1.064 175.056 176.117 0.006 0.000 1.078 287 I CA -0.825 60.440 61.300 -0.060 0.000 1.048 287 I CB 2.306 40.220 38.000 -0.143 0.000 1.239 287 I HN 0.507 nan 8.210 nan 0.000 0.421 288 D N 5.243 125.597 120.400 -0.077 0.000 2.358 288 D HA 0.236 4.876 4.640 0.000 0.000 0.253 288 D C -1.760 174.520 176.300 -0.033 0.000 1.288 288 D CA -0.094 53.884 54.000 -0.037 0.000 0.950 288 D CB 1.865 42.660 40.800 -0.008 0.000 1.197 288 D HN 0.547 nan 8.370 nan 0.000 0.550 289 C N 5.195 124.502 119.300 0.013 0.000 2.322 289 C HA 0.706 5.166 4.460 0.000 0.000 0.324 289 C C -0.446 174.572 174.990 0.046 0.000 1.284 289 C CA -0.429 58.620 59.018 0.053 0.000 1.606 289 C CB 0.047 27.878 27.740 0.152 0.000 2.251 289 C HN 0.603 nan 8.230 nan 0.000 0.502 290 R N 4.200 124.722 120.500 0.037 0.000 2.750 290 R HA 0.662 5.002 4.340 0.000 0.000 0.281 290 R C -1.077 175.267 176.300 0.073 0.000 0.972 290 R CA -0.680 55.447 56.100 0.045 0.000 0.912 290 R CB 1.900 32.218 30.300 0.029 0.000 1.187 290 R HN 0.832 nan 8.270 nan 0.000 0.464 291 H N 0.202 119.254 119.070 -0.029 0.000 3.068 291 H HA 0.072 4.629 4.556 0.000 0.000 0.342 291 H C 0.051 175.342 175.328 -0.062 0.000 1.284 291 H CA -0.033 55.974 56.048 -0.068 0.000 1.181 291 H CB 2.119 31.832 29.762 -0.080 0.000 1.898 291 H HN 0.707 nan 8.280 nan 0.000 0.540 292 T N -0.916 113.691 114.554 0.089 0.000 2.942 292 T HA -0.039 4.311 4.350 0.000 0.000 0.265 292 T C 0.642 175.454 174.700 0.185 0.000 1.062 292 T CA 0.618 62.770 62.100 0.087 0.000 1.139 292 T CB 0.156 68.954 68.868 -0.115 0.000 0.883 292 T HN 0.369 nan 8.240 nan 0.000 0.468 293 D N 0.839 121.443 120.400 0.340 0.000 2.249 293 D HA 0.530 5.170 4.640 0.000 0.000 0.246 293 D C 1.170 177.439 176.300 -0.051 0.000 1.114 293 D CA 0.046 54.072 54.000 0.043 0.000 0.854 293 D CB 1.795 42.567 40.800 -0.047 0.000 1.132 293 D HN 0.212 nan 8.370 nan 0.000 0.461 294 A N 3.977 126.779 122.820 -0.029 0.000 1.933 294 A HA -0.089 4.232 4.320 0.000 0.000 0.218 294 A C 2.048 179.594 177.584 -0.063 0.000 1.175 294 A CA 1.854 53.869 52.037 -0.036 0.000 0.628 294 A CB -0.452 18.535 19.000 -0.023 0.000 0.814 294 A HN 0.656 nan 8.150 nan 0.000 0.444 295 A N -0.566 122.211 122.820 -0.072 0.000 1.902 295 A HA -0.001 4.319 4.320 0.000 0.000 0.217 295 A C 2.165 179.687 177.584 -0.103 0.000 1.181 295 A CA 1.821 53.816 52.037 -0.069 0.000 0.623 295 A CB -0.817 18.150 19.000 -0.056 0.000 0.818 295 A HN 0.430 nan 8.150 nan 0.000 0.443 296 V N -0.106 119.682 119.914 -0.210 0.000 2.667 296 V HA -0.156 3.965 4.120 0.000 0.000 0.252 296 V C 2.366 178.307 176.094 -0.256 0.000 1.065 296 V CA 1.379 63.493 62.300 -0.310 0.000 1.083 296 V CB -0.643 30.785 31.823 -0.659 0.000 0.692 296 V HN 0.587 nan 8.190 nan 0.000 0.468 297 L N -0.075 121.016 121.223 -0.220 0.000 1.961 297 L HA -0.163 4.178 4.340 0.000 0.000 0.209 297 L C 2.791 179.695 176.870 0.057 0.000 1.075 297 L CA 1.876 56.697 54.840 -0.031 0.000 0.749 297 L CB -0.402 41.664 42.059 0.012 0.000 0.890 297 L HN 0.208 nan 8.230 nan 0.000 0.433 298 R N -0.008 120.505 120.500 0.021 0.000 2.133 298 R HA -0.301 4.039 4.340 0.000 0.000 0.245 298 R C 2.172 178.502 176.300 0.050 0.000 1.137 298 R CA 2.543 58.664 56.100 0.035 0.000 0.947 298 R CB -0.623 29.680 30.300 0.004 0.000 0.865 298 R HN 0.569 nan 8.270 nan 0.000 0.437 299 D N -0.622 119.799 120.400 0.034 0.000 2.106 299 D HA -0.231 4.409 4.640 0.000 0.000 0.191 299 D C 1.802 178.146 176.300 0.073 0.000 0.997 299 D CA 1.543 55.567 54.000 0.039 0.000 0.834 299 D CB -0.196 40.619 40.800 0.026 0.000 0.956 299 D HN 0.203 nan 8.370 nan 0.000 0.448 300 F N 1.775 121.708 119.950 -0.027 0.000 2.026 300 F HA -0.226 4.301 4.527 0.000 0.000 0.296 300 F C 2.775 178.577 175.800 0.003 0.000 1.133 300 F CA 3.092 61.087 58.000 -0.009 0.000 1.188 300 F CB -1.125 37.873 39.000 -0.003 0.000 0.968 300 F HN 0.063 nan 8.300 nan 0.000 0.476 301 T N -1.935 112.683 114.554 0.107 0.000 2.897 301 T HA -0.238 4.112 4.350 0.000 0.000 0.271 301 T C 1.743 176.424 174.700 -0.031 0.000 1.084 301 T CA 1.506 63.615 62.100 0.016 0.000 1.123 301 T CB -0.504 68.503 68.868 0.232 0.000 0.865 301 T HN 0.353 nan 8.240 nan 0.000 0.496 302 Q N 1.138 120.932 119.800 -0.010 0.000 2.083 302 Q HA 0.020 4.360 4.340 0.000 0.000 0.198 302 Q C 2.387 178.344 176.000 -0.072 0.000 0.969 302 Q CA 1.593 57.391 55.803 -0.009 0.000 0.838 302 Q CB -0.375 28.365 28.738 0.003 0.000 0.900 302 Q HN 0.777 nan 8.270 nan 0.000 0.436 303 Q N -0.633 119.089 119.800 -0.131 0.000 2.167 303 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 303 Q C 1.717 177.587 176.000 -0.217 0.000 0.970 303 Q CA 0.972 56.676 55.803 -0.165 0.000 0.855 303 Q CB -0.022 28.602 28.738 -0.190 0.000 0.911 303 Q HN 0.424 nan 8.270 nan 0.000 0.438 304 L N 0.323 121.360 121.223 -0.310 0.000 1.994 304 L HA -0.195 4.145 4.340 0.000 0.000 0.208 304 L C 2.308 179.079 176.870 -0.165 0.000 1.071 304 L CA 1.679 56.349 54.840 -0.282 0.000 0.745 304 L CB -0.545 41.312 42.059 -0.335 0.000 0.892 304 L HN 0.323 nan 8.230 nan 0.000 0.431 305 E N 0.106 120.217 120.200 -0.149 0.000 2.130 305 E HA -0.254 4.096 4.350 0.000 0.000 0.196 305 E C 1.877 178.447 176.600 -0.050 0.000 0.998 305 E CA 1.525 57.878 56.400 -0.079 0.000 0.806 305 E CB -0.211 29.478 29.700 -0.018 0.000 0.738 305 E HN 0.463 nan 8.360 nan 0.000 0.459 306 N N 0.874 119.536 118.700 -0.063 0.000 2.106 306 N HA -0.081 4.659 4.740 0.000 0.000 0.188 306 N C 0.550 176.025 175.510 -0.059 0.000 1.029 306 N CA 0.801 53.820 53.050 -0.052 0.000 0.848 306 N CB -0.175 38.278 38.487 -0.057 0.000 1.007 306 N HN 0.118 nan 8.380 nan 0.000 0.423 310 A N 0.672 123.474 122.820 -0.031 0.000 1.903 310 A HA 0.177 4.498 4.320 0.000 0.000 0.213 310 A C 1.802 179.357 177.584 -0.049 0.000 1.185 310 A CA 1.080 53.094 52.037 -0.038 0.000 0.628 310 A CB -0.337 18.635 19.000 -0.046 0.000 0.830 310 A HN 0.217 nan 8.150 nan 0.000 0.446 311 I N -0.373 120.157 120.570 -0.066 0.000 2.286 311 I HA -0.313 3.857 4.170 0.000 0.000 0.248 311 I C 2.347 178.416 176.117 -0.079 0.000 1.115 311 I CA 0.954 62.198 61.300 -0.093 0.000 1.392 311 I CB -0.319 37.601 38.000 -0.133 0.000 1.065 311 I HN 0.386 nan 8.210 nan 0.000 0.418 312 C N 0.537 119.810 119.300 -0.045 0.000 2.489 312 C HA -0.111 4.349 4.460 0.000 0.000 0.279 312 C C 2.339 177.320 174.990 -0.016 0.000 1.266 312 C CA 0.491 59.496 59.018 -0.023 0.000 1.707 312 C CB -0.952 26.795 27.740 0.011 0.000 2.059 312 C HN 0.494 nan 8.230 nan 0.000 0.481 313 D N 0.809 121.201 120.400 -0.013 0.000 2.265 313 D HA -0.077 4.563 4.640 0.000 0.000 0.208 313 D C 1.132 177.422 176.300 -0.016 0.000 0.977 313 D CA 0.690 54.684 54.000 -0.010 0.000 0.871 313 D CB -0.412 40.382 40.800 -0.010 0.000 0.925 313 D HN 0.693 nan 8.370 nan 0.000 0.485 317 I N 0.564 121.144 120.570 0.017 0.000 2.433 317 I HA 0.552 4.723 4.170 0.000 0.000 0.292 317 I C 1.042 177.178 176.117 0.033 0.000 1.001 317 I CA -1.056 60.262 61.300 0.030 0.000 1.119 317 I CB 2.247 40.267 38.000 0.033 0.000 1.289 317 I HN 0.074 nan 8.210 nan 0.000 0.438 318 G N 5.890 114.713 108.800 0.039 0.000 2.353 318 G HA2 0.555 4.516 3.960 0.000 0.000 0.284 318 G HA3 0.555 4.516 3.960 0.000 0.000 0.284 318 G C -0.216 174.716 174.900 0.054 0.000 1.172 318 G CA -0.211 44.912 45.100 0.039 0.000 0.854 318 G HN 0.400 nan 8.290 nan 0.000 0.485 319 I N 0.868 121.470 120.570 0.054 0.000 3.846 319 I HA 0.542 4.712 4.170 0.000 0.000 0.233 319 I C 0.399 176.548 176.117 0.053 0.000 1.435 319 I CA -0.680 60.662 61.300 0.069 0.000 0.795 319 I CB 0.764 38.805 38.000 0.070 0.000 1.760 319 I HN 0.355 nan 8.210 nan 0.000 0.818 320 D N 0.680 121.109 120.400 0.049 0.000 3.017 320 D HA 0.119 4.759 4.640 0.000 0.000 0.153 320 D C -1.381 174.943 176.300 0.039 0.000 1.112 320 D CA -0.194 53.830 54.000 0.039 0.000 1.630 320 D CB 0.018 40.836 40.800 0.030 0.000 1.144 320 D HN 0.381 nan 8.370 nan 0.000 0.770 321 I N 2.200 122.808 120.570 0.064 0.000 2.308 321 I HA 0.161 4.331 4.170 0.000 0.000 0.293 321 I C 0.199 176.404 176.117 0.147 0.000 1.078 321 I CA -0.279 61.090 61.300 0.114 0.000 1.292 321 I CB 0.791 38.872 38.000 0.135 0.000 1.423 321 I HN 0.122 nan 8.210 nan 0.000 0.493 322 D N 7.833 128.333 120.400 0.166 0.000 2.454 322 D HA 0.149 4.789 4.640 0.000 0.000 0.225 322 D C -0.660 175.761 176.300 0.202 0.000 1.081 322 D CA -0.436 53.662 54.000 0.163 0.000 0.864 322 D CB 0.981 41.864 40.800 0.139 0.000 1.040 322 D HN 0.264 nan 8.370 nan 0.000 0.517 323 L N 6.752 127.979 121.223 0.007 0.000 2.302 323 L HA 0.314 4.655 4.340 0.000 0.000 0.285 323 L C -0.333 176.435 176.870 -0.170 0.000 1.090 323 L CA -0.570 54.049 54.840 -0.369 0.000 0.866 323 L CB -0.430 41.298 42.059 -0.552 0.000 1.244 323 L HN 0.494 nan 8.230 nan 0.000 0.435 327 E N 1.309 121.448 120.200 -0.102 0.000 2.175 327 E HA 0.262 4.613 4.350 0.000 0.000 0.278 327 E C 0.206 176.781 176.600 -0.043 0.000 0.969 327 E CA -0.417 55.947 56.400 -0.059 0.000 0.796 327 E CB 1.541 31.215 29.700 -0.043 0.000 1.104 327 E HN 0.461 nan 8.360 nan 0.000 0.395 328 E N 2.672 122.851 120.200 -0.033 0.000 2.349 328 E HA 0.388 4.738 4.350 0.000 0.000 0.265 328 E C -2.282 174.309 176.600 -0.014 0.000 1.064 328 E CA -1.977 54.409 56.400 -0.024 0.000 0.886 328 E CB 0.083 29.768 29.700 -0.026 0.000 1.036 328 E HN 0.014 nan 8.360 nan 0.000 0.413 329 P HA 0.004 nan 4.420 nan 0.000 0.268 329 P C -0.972 176.327 177.300 -0.003 0.000 1.204 329 P CA -0.204 62.901 63.100 0.007 0.000 0.768 329 P CB 0.634 32.348 31.700 0.024 0.000 0.842 330 V N 5.915 125.828 119.914 -0.002 0.000 2.277 330 V HA 0.261 4.381 4.120 0.000 0.000 0.269 330 V C -1.553 174.543 176.094 0.002 0.000 1.036 330 V CA -1.620 60.674 62.300 -0.009 0.000 0.821 330 V CB 0.643 32.455 31.823 -0.019 0.000 1.052 330 V HN 0.592 nan 8.190 nan 0.000 0.462 334 K N 1.605 122.012 120.400 0.012 0.000 2.107 334 K HA -0.246 4.074 4.320 0.000 0.000 0.211 334 K C 0.829 177.436 176.600 0.011 0.000 1.049 334 K CA 2.018 58.311 56.287 0.010 0.000 0.927 334 K CB 0.230 32.735 32.500 0.008 0.000 0.714 334 K HN 0.527 nan 8.250 nan 0.000 0.452 335 E N 0.918 121.124 120.200 0.011 0.000 2.015 335 E HA -0.102 4.248 4.350 0.000 0.000 0.191 335 E C 1.909 178.515 176.600 0.010 0.000 0.991 335 E CA 0.601 57.007 56.400 0.009 0.000 0.802 335 E CB -0.229 29.476 29.700 0.008 0.000 0.759 335 E HN 0.027 nan 8.360 nan 0.000 0.447 336 L N 0.887 122.117 121.223 0.013 0.000 2.197 336 L HA -0.184 4.156 4.340 0.000 0.000 0.215 336 L C 2.057 178.930 176.870 0.006 0.000 1.095 336 L CA 1.402 56.249 54.840 0.012 0.000 0.764 336 L CB -0.720 41.350 42.059 0.019 0.000 0.897 336 L HN 0.120 nan 8.230 nan 0.000 0.436 337 V N -0.960 118.959 119.914 0.008 0.000 2.649 337 V HA -0.076 4.044 4.120 0.000 0.000 0.248 337 V C 2.663 178.765 176.094 0.014 0.000 1.054 337 V CA 1.143 63.449 62.300 0.009 0.000 1.073 337 V CB -0.651 31.180 31.823 0.012 0.000 0.699 337 V HN 0.430 nan 8.190 nan 0.000 0.463 338 A N 0.237 123.065 122.820 0.013 0.000 1.897 338 A HA -0.217 4.103 4.320 0.000 0.000 0.215 338 A C 2.488 180.072 177.584 0.002 0.000 1.181 338 A CA 2.318 54.363 52.037 0.013 0.000 0.620 338 A CB -0.978 18.030 19.000 0.013 0.000 0.821 338 A HN 0.474 nan 8.150 nan 0.000 0.443 339 T N -0.996 113.559 114.554 0.000 0.000 2.833 339 T HA -0.144 4.206 4.350 0.000 0.000 0.269 339 T C 1.748 176.438 174.700 -0.017 0.000 1.054 339 T CA 1.753 63.850 62.100 -0.004 0.000 1.135 339 T CB -0.385 68.485 68.868 0.003 0.000 0.869 339 T HN 0.275 nan 8.240 nan 0.000 0.466 340 L N 0.844 122.055 121.223 -0.019 0.000 2.179 340 L HA 0.171 4.511 4.340 0.000 0.000 0.208 340 L C 2.552 179.375 176.870 -0.079 0.000 1.096 340 L CA 1.891 56.709 54.840 -0.037 0.000 0.779 340 L CB -0.945 41.101 42.059 -0.022 0.000 0.922 340 L HN 0.222 nan 8.230 nan 0.000 0.443 341 T N 0.234 114.755 114.554 -0.054 0.000 2.777 341 T HA -0.161 4.190 4.350 0.000 0.000 0.266 341 T C 1.542 176.136 174.700 -0.178 0.000 1.040 341 T CA 1.542 63.586 62.100 -0.094 0.000 1.141 341 T CB -0.244 68.654 68.868 0.050 0.000 0.868 341 T HN 0.660 nan 8.240 nan 0.000 0.444 342 E N 1.283 121.430 120.200 -0.089 0.000 2.274 342 E HA -0.015 4.335 4.350 0.000 0.000 0.194 342 E C 2.168 178.707 176.600 -0.100 0.000 0.996 342 E CA 0.380 56.734 56.400 -0.077 0.000 0.840 342 E CB -0.333 29.350 29.700 -0.029 0.000 0.772 342 E HN 0.276 nan 8.360 nan 0.000 0.491 343 L N 1.354 122.514 121.223 -0.105 0.000 2.093 343 L HA -0.059 4.281 4.340 0.000 0.000 0.208 343 L C 1.804 178.581 176.870 -0.155 0.000 1.085 343 L CA 1.430 56.215 54.840 -0.091 0.000 0.755 343 L CB -0.905 41.115 42.059 -0.066 0.000 0.904 343 L HN 0.321 nan 8.230 nan 0.000 0.435 344 C N 0.077 119.201 119.300 -0.293 0.000 2.522 344 C HA 0.030 4.490 4.460 0.000 0.000 0.271 344 C C 2.375 177.122 174.990 -0.406 0.000 1.425 344 C CA -0.212 58.521 59.018 -0.476 0.000 1.751 344 C CB -0.524 26.557 27.740 -1.099 0.000 1.775 344 C HN 0.510 nan 8.230 nan 0.000 0.557 345 E N 0.947 120.994 120.200 -0.255 0.000 2.065 345 E HA 0.016 4.366 4.350 0.000 0.000 0.191 345 E C 2.272 178.833 176.600 -0.065 0.000 0.960 345 E CA 0.519 56.845 56.400 -0.123 0.000 0.824 345 E CB -0.432 29.226 29.700 -0.071 0.000 0.793 345 E HN 0.548 nan 8.360 nan 0.000 0.459 346 R N 1.026 121.492 120.500 -0.055 0.000 2.119 346 R HA -0.103 4.237 4.340 0.000 0.000 0.246 346 R C 0.506 176.789 176.300 -0.027 0.000 1.146 346 R CA 1.014 57.096 56.100 -0.029 0.000 0.962 346 R CB -0.146 30.141 30.300 -0.021 0.000 0.863 346 R HN 0.198 nan 8.270 nan 0.000 0.442 347 E N 1.395 121.569 120.200 -0.044 0.000 2.242 347 E HA 0.119 4.470 4.350 0.000 0.000 0.275 347 E C -0.310 176.273 176.600 -0.029 0.000 1.002 347 E CA -0.491 55.890 56.400 -0.032 0.000 0.841 347 E CB 0.860 30.537 29.700 -0.038 0.000 1.109 347 E HN -0.114 nan 8.360 nan 0.000 0.394 348 K N 2.523 122.920 120.400 -0.005 0.000 2.449 348 K HA 0.225 4.545 4.320 0.000 0.000 0.237 348 K C 0.089 176.705 176.600 0.027 0.000 1.265 348 K CA -0.032 56.265 56.287 0.016 0.000 1.193 348 K CB -0.822 31.690 32.500 0.021 0.000 1.515 348 K HN 0.351 nan 8.250 nan 0.000 0.259 349 L N 1.582 122.815 121.223 0.016 0.000 2.305 349 L HA 0.126 4.467 4.340 0.000 0.000 0.281 349 L C 0.884 177.862 176.870 0.181 0.000 1.085 349 L CA -0.537 54.331 54.840 0.046 0.000 0.813 349 L CB 0.498 42.533 42.059 -0.040 0.000 1.157 349 L HN 0.278 nan 8.230 nan 0.000 0.436 350 N N 3.454 122.247 118.700 0.155 0.000 3.298 350 N HA 0.079 4.820 4.740 0.000 0.000 0.292 350 N C -0.454 175.176 175.510 0.200 0.000 1.271 350 N CA -0.336 52.810 53.050 0.160 0.000 1.184 350 N CB -0.175 38.359 38.487 0.079 0.000 1.452 350 N HN 0.404 nan 8.380 nan 0.000 0.534 351 Y N -0.688 119.620 120.300 0.014 0.000 2.314 351 Y HA 0.667 5.218 4.550 0.000 0.000 0.359 351 Y C 0.355 176.267 175.900 0.022 0.000 1.360 351 Y CA -1.253 56.858 58.100 0.019 0.000 1.697 351 Y CB 0.799 39.268 38.460 0.015 0.000 1.630 351 Y HN -0.040 nan 8.280 nan 0.000 0.583 352 R N 1.682 122.149 120.500 -0.056 0.000 3.130 352 R HA 0.264 4.604 4.340 0.000 0.000 0.261 352 R C -1.717 174.547 176.300 -0.061 0.000 1.683 352 R CA -0.292 55.719 56.100 -0.148 0.000 1.095 352 R CB 0.895 31.173 30.300 -0.038 0.000 1.421 352 R HN 0.774 nan 8.270 nan 0.000 0.454 356 S N 0.211 115.833 115.700 -0.130 0.000 2.399 356 S HA 0.354 4.824 4.470 0.000 0.000 0.301 356 S C 1.365 175.957 174.600 -0.014 0.000 1.093 356 S CA 0.187 58.362 58.200 -0.041 0.000 1.077 356 S CB -0.142 63.068 63.200 0.016 0.000 0.980 356 S HN 0.796 nan 8.310 nan 0.000 0.494 357 G N 3.610 112.371 108.800 -0.064 0.000 2.535 357 G HA2 0.300 4.260 3.960 0.000 0.000 0.218 357 G HA3 0.300 4.260 3.960 0.000 0.000 0.218 357 G C 0.494 175.393 174.900 -0.002 0.000 1.122 357 G CA 0.622 45.703 45.100 -0.031 0.000 0.769 357 G HN 0.931 nan 8.290 nan 0.000 0.549 358 A N -1.267 121.535 122.820 -0.031 0.000 2.437 358 A HA 0.844 5.165 4.320 0.000 0.000 0.288 358 A C 0.117 177.546 177.584 -0.259 0.000 1.201 358 A CA -0.069 51.893 52.037 -0.126 0.000 0.795 358 A CB 0.989 19.898 19.000 -0.153 0.000 1.359 358 A HN 0.636 nan 8.150 nan 0.000 0.435 359 G N -0.436 108.206 108.800 -0.264 0.000 2.388 359 G HA2 0.609 4.569 3.960 0.000 0.000 0.330 359 G HA3 0.609 4.569 3.960 0.000 0.000 0.330 359 G C -0.778 173.965 174.900 -0.262 0.000 1.142 359 G CA -0.241 44.761 45.100 -0.164 0.000 0.908 359 G HN 0.649 nan 8.290 nan 0.000 0.473 360 H N 0.304 119.515 119.070 0.235 0.000 2.906 360 H HA 0.290 4.847 4.556 0.000 0.000 0.337 360 H C 0.249 175.756 175.328 0.299 0.000 1.257 360 H CA -0.814 55.415 56.048 0.301 0.000 1.192 360 H CB 1.907 31.815 29.762 0.244 0.000 1.912 360 H HN 0.434 nan 8.280 nan 0.000 0.573 361 D N 0.707 121.425 120.400 0.530 0.000 2.221 361 D HA -0.104 4.536 4.640 0.000 0.000 0.204 361 D C 1.677 178.129 176.300 0.252 0.000 0.982 361 D CA 1.156 55.357 54.000 0.335 0.000 0.857 361 D CB -0.020 41.042 40.800 0.437 0.000 0.934 361 D HN 0.563 nan 8.370 nan 0.000 0.475 362 A N 1.294 124.317 122.820 0.339 0.000 2.125 362 A HA -0.225 4.095 4.320 0.000 0.000 0.219 362 A C 2.107 179.797 177.584 0.177 0.000 1.156 362 A CA 1.447 53.675 52.037 0.319 0.000 0.671 362 A CB -0.584 18.607 19.000 0.319 0.000 0.794 362 A HN 0.430 nan 8.150 nan 0.000 0.459 363 Q N -0.182 119.648 119.800 0.050 0.000 2.389 363 Q HA 0.106 4.446 4.340 0.000 0.000 0.204 363 Q C 1.559 177.464 176.000 -0.159 0.000 0.944 363 Q CA 1.221 56.990 55.803 -0.057 0.000 0.908 363 Q CB -0.556 28.128 28.738 -0.090 0.000 1.002 363 Q HN 0.829 nan 8.270 nan 0.000 0.493 364 I N -4.099 116.337 120.570 -0.222 0.000 4.018 364 I HA 0.307 4.477 4.170 0.000 0.000 0.337 364 I C 0.438 176.321 176.117 -0.391 0.000 1.327 364 I CA -0.296 60.816 61.300 -0.313 0.000 1.100 364 I CB 0.299 38.048 38.000 -0.418 0.000 1.025 364 I HN -0.074 nan 8.210 nan 0.000 0.396 365 F N 1.540 121.272 119.950 -0.365 0.000 2.298 365 F HA 0.379 4.906 4.527 0.000 0.000 0.282 365 F C 2.750 178.353 175.800 -0.328 0.000 1.045 365 F CA 1.465 59.204 58.000 -0.435 0.000 1.280 365 F CB -0.478 38.404 39.000 -0.197 0.000 1.114 365 F HN 0.083 nan 8.300 nan 0.000 0.546 366 A N 0.719 123.586 122.820 0.079 0.000 1.954 366 A HA -0.249 4.071 4.320 0.000 0.000 0.222 366 A C -0.546 177.004 177.584 -0.057 0.000 1.199 366 A CA 2.421 54.479 52.037 0.035 0.000 0.657 366 A CB -2.195 16.825 19.000 0.033 0.000 0.823 366 A HN 0.293 nan 8.150 nan 0.000 0.463 367 P HA 0.044 nan 4.420 nan 0.000 0.245 367 P C 1.089 178.274 177.300 -0.192 0.000 1.212 367 P CA 0.778 63.786 63.100 -0.153 0.000 0.774 367 P CB 0.225 31.823 31.700 -0.170 0.000 0.999 368 R N -1.560 118.773 120.500 -0.278 0.000 2.350 368 R HA 0.222 4.562 4.340 0.000 0.000 0.199 368 R C 0.365 176.627 176.300 -0.063 0.000 0.876 368 R CA 0.301 56.243 56.100 -0.263 0.000 1.062 368 R CB 0.513 30.416 30.300 -0.662 0.000 1.263 368 R HN 0.034 nan 8.270 nan 0.000 0.641 369 V N -0.586 119.334 119.914 0.010 0.000 2.823 369 V HA 0.602 4.722 4.120 0.000 0.000 0.312 369 V C -2.941 173.242 176.094 0.147 0.000 1.072 369 V CA -3.283 59.110 62.300 0.154 0.000 0.937 369 V CB 2.361 34.385 31.823 0.335 0.000 1.013 369 V HN -0.137 nan 8.190 nan 0.000 0.430 370 P HA 0.327 nan 4.420 nan 0.000 0.264 370 P C -0.260 177.131 177.300 0.151 0.000 1.193 370 P CA 0.596 63.756 63.100 0.101 0.000 0.763 370 P CB 0.453 32.194 31.700 0.069 0.000 0.810 371 T N 0.484 115.119 114.554 0.134 0.000 2.883 371 T HA 0.745 5.096 4.350 0.000 0.000 0.301 371 T C -0.405 174.340 174.700 0.076 0.000 1.158 371 T CA -0.660 61.535 62.100 0.158 0.000 1.007 371 T CB 0.824 69.864 68.868 0.286 0.000 1.186 371 T HN 0.643 nan 8.240 nan 0.000 0.499 375 F N 5.730 125.696 119.950 0.027 0.000 2.436 375 F HA 0.588 5.115 4.527 0.001 0.000 0.340 375 F C 0.000 175.814 175.800 0.024 0.000 1.113 375 F CA -1.049 56.969 58.000 0.031 0.000 1.022 375 F CB 1.611 40.626 39.000 0.025 0.000 1.128 375 F HN 0.107 nan 8.300 nan 0.000 0.466 376 I N 6.693 127.310 120.570 0.079 0.000 2.392 376 I HA 0.380 4.550 4.170 0.000 0.000 0.295 376 I C -1.985 174.079 176.117 -0.088 0.000 0.985 376 I CA -2.834 58.463 61.300 -0.006 0.000 1.221 376 I CB 1.516 39.491 38.000 -0.042 0.000 1.366 376 I HN 0.306 nan 8.210 nan 0.000 0.467 377 P HA 0.078 nan 4.420 nan 0.000 0.270 377 P C -0.810 176.418 177.300 -0.120 0.000 1.223 377 P CA -0.266 62.788 63.100 -0.077 0.000 0.785 377 P CB 0.871 32.545 31.700 -0.044 0.000 0.923 378 S N 0.690 116.319 115.700 -0.119 0.000 2.536 378 S HA 0.437 4.907 4.470 0.000 0.000 0.287 378 S C 1.060 175.607 174.600 -0.089 0.000 1.101 378 S CA -0.571 57.555 58.200 -0.123 0.000 0.950 378 S CB 0.184 63.293 63.200 -0.152 0.000 1.056 378 S HN 0.328 nan 8.310 nan 0.000 0.481 379 I N 3.078 123.597 120.570 -0.084 0.000 4.882 379 I HA -0.380 3.791 4.170 0.000 0.000 0.044 379 I C 1.144 177.233 176.117 -0.047 0.000 0.637 379 I CA 1.651 62.914 61.300 -0.062 0.000 0.373 379 I CB -0.361 37.605 38.000 -0.056 0.000 0.405 379 I HN 0.663 nan 8.210 nan 0.000 0.182 380 N N 0.765 119.442 118.700 -0.039 0.000 2.553 380 N HA 0.341 5.081 4.740 0.000 0.000 0.298 380 N C 0.824 176.317 175.510 -0.027 0.000 1.596 380 N CA 0.827 53.860 53.050 -0.028 0.000 0.910 380 N CB 1.138 39.614 38.487 -0.019 0.000 1.336 380 N HN 0.880 nan 8.380 nan 0.000 0.497 381 G N 0.486 109.261 108.800 -0.041 0.000 2.234 381 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 381 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 381 G C 0.292 175.167 174.900 -0.041 0.000 0.987 381 G CA -0.254 44.821 45.100 -0.042 0.000 0.625 381 G HN 0.326 nan 8.290 nan 0.000 0.532 382 I N 1.481 122.030 120.570 -0.035 0.000 2.826 382 I HA 0.430 4.601 4.170 0.000 0.000 0.295 382 I C 0.792 176.881 176.117 -0.047 0.000 1.213 382 I CA 0.961 62.246 61.300 -0.026 0.000 1.436 382 I CB 0.553 38.540 38.000 -0.022 0.000 1.348 382 I HN 0.295 nan 8.210 nan 0.000 0.570 383 S N 3.503 119.183 115.700 -0.033 0.000 2.588 383 S HA 0.524 4.994 4.470 0.000 0.000 0.269 383 S C 0.171 174.770 174.600 -0.003 0.000 1.157 383 S CA -0.214 57.931 58.200 -0.093 0.000 0.824 383 S CB 0.730 63.813 63.200 -0.196 0.000 1.126 383 S HN 0.904 nan 8.310 nan 0.000 0.464 384 H N 0.431 119.530 119.070 0.048 0.000 5.017 384 H HA -0.218 4.338 4.556 0.000 0.000 0.071 384 H C 0.657 176.007 175.328 0.037 0.000 0.562 384 H CA 2.092 58.173 56.048 0.055 0.000 1.051 384 H CB -1.335 28.458 29.762 0.051 0.000 0.480 384 H HN 0.816 nan 8.280 nan 0.000 0.749 385 N N 2.229 121.014 118.700 0.143 0.000 2.317 385 N HA 0.015 4.756 4.740 0.000 0.000 0.245 385 N C -2.188 173.352 175.510 0.050 0.000 1.294 385 N CA -0.530 52.569 53.050 0.080 0.000 0.924 385 N CB 0.631 39.153 38.487 0.057 0.000 1.186 385 N HN 0.052 nan 8.380 nan 0.000 0.495 386 P HA 0.013 nan 4.420 nan 0.000 0.228 386 P C 0.487 177.790 177.300 0.005 0.000 1.151 386 P CA 1.102 64.213 63.100 0.018 0.000 0.770 386 P CB -0.070 31.640 31.700 0.016 0.000 0.786 387 A N -0.115 122.708 122.820 0.004 0.000 2.265 387 A HA -0.012 4.308 4.320 0.000 0.000 0.213 387 A C 0.940 178.512 177.584 -0.020 0.000 1.255 387 A CA 0.079 52.112 52.037 -0.007 0.000 0.862 387 A CB -1.011 17.988 19.000 -0.003 0.000 0.852 387 A HN 0.127 nan 8.150 nan 0.000 0.484 388 E N 1.094 121.279 120.200 -0.025 0.000 2.366 388 E HA 0.445 4.795 4.350 0.000 0.000 0.266 388 E C -0.447 176.115 176.600 -0.064 0.000 1.051 388 E CA -0.336 56.035 56.400 -0.049 0.000 0.884 388 E CB 0.587 30.255 29.700 -0.053 0.000 1.006 388 E HN 0.514 nan 8.360 nan 0.000 0.417 389 R N -0.190 120.258 120.500 -0.086 0.000 2.907 389 R HA 0.426 4.766 4.340 0.000 0.000 0.246 389 R C -1.513 174.714 176.300 -0.122 0.000 1.082 389 R CA -0.607 55.432 56.100 -0.102 0.000 1.003 389 R CB 0.328 30.585 30.300 -0.072 0.000 1.261 389 R HN 0.407 nan 8.270 nan 0.000 0.474 390 T N 1.631 116.088 114.554 -0.162 0.000 2.876 390 T HA 0.420 4.770 4.350 0.000 0.000 0.289 390 T C -0.461 174.151 174.700 -0.148 0.000 1.014 390 T CA -0.932 61.068 62.100 -0.166 0.000 0.986 390 T CB 1.325 70.051 68.868 -0.236 0.000 1.021 390 T HN 0.598 nan 8.240 nan 0.000 0.458 391 N N 1.837 120.474 118.700 -0.105 0.000 2.365 391 N HA -0.031 4.709 4.740 0.000 0.000 0.265 391 N C 1.387 176.845 175.510 -0.085 0.000 1.288 391 N CA -0.368 52.635 53.050 -0.078 0.000 0.869 391 N CB 0.468 38.924 38.487 -0.052 0.000 1.071 391 N HN 0.501 nan 8.380 nan 0.000 0.480 392 I N 3.352 123.880 120.570 -0.071 0.000 2.367 392 I HA -0.329 3.841 4.170 0.000 0.000 0.256 392 I C 1.668 177.771 176.117 -0.025 0.000 1.132 392 I CA 1.860 63.128 61.300 -0.053 0.000 1.397 392 I CB -0.103 37.883 38.000 -0.023 0.000 1.074 392 I HN 0.570 nan 8.210 nan 0.000 0.435 393 T N -0.484 114.058 114.554 -0.020 0.000 3.067 393 T HA -0.003 4.347 4.350 0.000 0.000 0.257 393 T C 1.377 176.075 174.700 -0.004 0.000 1.105 393 T CA 0.860 62.959 62.100 -0.000 0.000 1.104 393 T CB -0.201 68.668 68.868 0.001 0.000 0.925 393 T HN 0.351 nan 8.240 nan 0.000 0.498 394 D N 1.069 121.451 120.400 -0.029 0.000 2.249 394 D HA 0.147 4.788 4.640 0.000 0.000 0.205 394 D C 2.037 178.316 176.300 -0.035 0.000 0.962 394 D CA 0.392 54.373 54.000 -0.031 0.000 0.860 394 D CB 0.014 40.782 40.800 -0.052 0.000 0.955 394 D HN 0.323 nan 8.370 nan 0.000 0.505 395 L N 0.671 121.854 121.223 -0.067 0.000 2.044 395 L HA -0.053 4.287 4.340 0.000 0.000 0.205 395 L C 2.534 179.469 176.870 0.109 0.000 1.075 395 L CA 1.010 55.822 54.840 -0.047 0.000 0.747 395 L CB -0.468 41.452 42.059 -0.232 0.000 0.903 395 L HN -0.040 nan 8.230 nan 0.000 0.435 396 A N -0.452 122.413 122.820 0.075 0.000 1.940 396 A HA -0.218 4.103 4.320 0.000 0.000 0.219 396 A C 2.221 179.805 177.584 0.000 0.000 1.176 396 A CA 1.507 53.591 52.037 0.078 0.000 0.631 396 A CB -0.396 18.675 19.000 0.119 0.000 0.814 396 A HN 0.342 nan 8.150 nan 0.000 0.446 397 E N -0.424 119.781 120.200 0.007 0.000 2.077 397 E HA -0.145 4.206 4.350 0.000 0.000 0.193 397 E C 2.203 178.776 176.600 -0.046 0.000 0.989 397 E CA 1.201 57.594 56.400 -0.011 0.000 0.800 397 E CB -0.611 29.093 29.700 0.006 0.000 0.746 397 E HN 0.571 nan 8.360 nan 0.000 0.452 398 G N 0.752 109.542 108.800 -0.016 0.000 2.434 398 G HA2 -0.211 3.749 3.960 0.000 0.000 0.214 398 G HA3 -0.211 3.749 3.960 0.000 0.000 0.214 398 G C 1.782 176.598 174.900 -0.141 0.000 1.202 398 G CA 1.017 46.109 45.100 -0.013 0.000 0.788 398 G HN 0.211 nan 8.290 nan 0.000 0.539 399 V N 1.252 121.025 119.914 -0.235 0.000 2.688 399 V HA -0.184 3.936 4.120 0.000 0.000 0.256 399 V C 2.592 178.165 176.094 -0.869 0.000 1.084 399 V CA 2.202 64.162 62.300 -0.567 0.000 1.103 399 V CB -0.436 30.953 31.823 -0.723 0.000 0.688 399 V HN 0.478 nan 8.190 nan 0.000 0.480 400 K N 1.039 121.044 120.400 -0.658 0.000 1.975 400 K HA -0.192 4.128 4.320 0.000 0.000 0.210 400 K C 2.369 178.829 176.600 -0.233 0.000 1.041 400 K CA 2.081 58.103 56.287 -0.442 0.000 0.942 400 K CB -0.599 31.817 32.500 -0.141 0.000 0.729 400 K HN 0.577 nan 8.250 nan 0.000 0.439 401 T N 0.869 115.336 114.554 -0.146 0.000 2.869 401 T HA -0.174 4.176 4.350 0.000 0.000 0.270 401 T C 1.926 176.580 174.700 -0.076 0.000 1.082 401 T CA 1.078 63.129 62.100 -0.082 0.000 1.123 401 T CB -0.258 68.578 68.868 -0.054 0.000 0.856 401 T HN 0.221 nan 8.240 nan 0.000 0.499 402 L N 0.741 121.892 121.223 -0.121 0.000 2.095 402 L HA 0.234 4.574 4.340 0.000 0.000 0.204 402 L C 2.881 179.722 176.870 -0.049 0.000 1.080 402 L CA 1.832 56.614 54.840 -0.096 0.000 0.759 402 L CB -1.411 40.561 42.059 -0.144 0.000 0.914 402 L HN 0.434 nan 8.230 nan 0.000 0.439 403 A N 0.237 123.005 122.820 -0.085 0.000 1.930 403 A HA -0.065 4.255 4.320 0.000 0.000 0.217 403 A C 1.570 179.237 177.584 0.138 0.000 1.175 403 A CA 0.479 52.550 52.037 0.056 0.000 0.627 403 A CB -0.449 18.584 19.000 0.054 0.000 0.815 403 A HN 0.403 nan 8.150 nan 0.000 0.443 407 Y N 1.779 122.166 120.300 0.145 0.000 2.274 407 Y HA -0.151 4.399 4.550 0.000 0.000 0.290 407 Y C 2.445 178.429 175.900 0.140 0.000 1.145 407 Y CA 1.860 60.029 58.100 0.115 0.000 1.203 407 Y CB 0.224 38.572 38.460 -0.188 0.000 0.984 407 Y HN 0.126 nan 8.280 nan 0.000 0.533 408 Q N -0.076 119.825 119.800 0.168 0.000 2.482 408 Q HA 0.051 4.391 4.340 0.000 0.000 0.209 408 Q C 1.105 177.123 176.000 0.029 0.000 0.961 408 Q CA 0.751 56.611 55.803 0.094 0.000 0.945 408 Q CB 0.197 29.000 28.738 0.108 0.000 1.012 408 Q HN 0.596 nan 8.270 nan 0.000 0.515 409 L N -2.605 118.637 121.223 0.033 0.000 2.878 409 L HA 0.306 4.646 4.340 0.000 0.000 0.253 409 L C 1.336 178.187 176.870 -0.033 0.000 1.135 409 L CA 0.496 55.340 54.840 0.007 0.000 0.943 409 L CB 0.475 42.551 42.059 0.028 0.000 1.307 409 L HN -0.067 nan 8.230 nan 0.000 0.545 410 A N -1.811 120.981 122.820 -0.046 0.000 2.263 410 A HA 0.123 4.443 4.320 0.000 0.000 0.200 410 A C 1.356 178.707 177.584 -0.389 0.000 1.428 410 A CA -0.294 51.615 52.037 -0.214 0.000 1.050 410 A CB 0.135 18.951 19.000 -0.306 0.000 1.226 410 A HN 0.388 nan 8.150 nan 0.000 0.501 411 W N 0.301 121.345 121.300 -0.426 0.000 2.998 411 W HA 0.257 4.917 4.660 0.000 0.000 0.336 411 W C 0.213 176.359 176.519 -0.623 0.000 1.112 411 W CA -0.024 56.928 57.345 -0.654 0.000 1.682 411 W CB 0.453 29.109 29.460 -1.340 0.000 1.065 411 W HN 0.210 nan 8.180 nan 0.000 0.570 412 Q N 1.675 121.324 119.800 -0.251 0.000 2.314 412 Q HA 0.124 4.465 4.340 0.000 0.000 0.258 412 Q C 0.077 176.058 176.000 -0.032 0.000 0.954 412 Q CA 0.498 56.235 55.803 -0.109 0.000 0.890 412 Q CB 1.829 30.544 28.738 -0.040 0.000 1.210 412 Q HN -0.213 nan 8.270 nan 0.000 0.410 413 K N 0.000 120.408 120.400 0.014 0.000 2.780 413 K HA 0.000 4.320 4.320 0.000 0.000 0.191 413 K CA 0.000 56.306 56.287 0.032 0.000 0.838 413 K CB 0.000 32.528 32.500 0.047 0.000 1.064 413 K HN 0.000 nan 8.250 nan 0.000 0.543