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 3eon_1_C DATA FIRST_RESID 4 DATA SEQUENCE ATFHWDDPLL LDQQLADDER MVRDAAHAYA QGKLAPRVTE AFRHETTDAA DATA SEQUENCE IFREMGEIGL LGPTIPEQYG GPGLDYVSYG LIAREVERVD SGYRSMMSVQ DATA SEQUENCE SSLVMVPIFE FGSDAQKEKY LPKLATGEWI GCFGLTEPXX XXXXGSMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDEDGRDEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRKQFG RPLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGGNG DATA SEQUENCE XXDEFGVARH LVNLEVVNTY EGTHDIHALI LGRAQTGIQA 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.651 177.584 0.111 0.000 1.274 4 A CA 0.000 52.085 52.037 0.081 0.000 0.836 4 A CB 0.000 19.046 19.000 0.076 0.000 0.831 5 T N -0.002 114.634 114.554 0.137 0.000 2.902 5 T HA 0.714 5.065 4.350 0.001 0.000 0.280 5 T C -0.281 174.583 174.700 0.274 0.000 0.992 5 T CA -0.544 61.647 62.100 0.151 0.000 1.015 5 T CB 0.854 69.756 68.868 0.058 0.000 1.044 5 T HN 1.179 nan 8.240 nan 0.000 0.520 6 F N 2.038 122.030 119.950 0.070 0.000 2.411 6 F HA 0.431 4.958 4.527 0.001 0.000 0.352 6 F C -0.382 175.467 175.800 0.082 0.000 1.123 6 F CA -0.962 57.113 58.000 0.125 0.000 1.044 6 F CB 0.769 39.836 39.000 0.112 0.000 1.135 6 F HN 0.727 nan 8.300 nan 0.000 0.461 7 H N 7.389 126.145 119.070 -0.524 0.000 2.818 7 H HA 0.050 4.606 4.556 0.001 0.000 0.269 7 H C 0.773 175.528 175.328 -0.955 0.000 1.277 7 H CA -0.712 54.974 56.048 -0.603 0.000 1.290 7 H CB 0.064 29.589 29.762 -0.395 0.000 1.479 7 H HN 0.792 nan 8.280 nan 0.000 0.507 8 W N 3.906 124.727 121.300 -0.799 0.000 2.331 8 W HA -0.205 4.456 4.660 0.002 0.000 0.291 8 W C 0.397 176.852 176.519 -0.107 0.000 1.214 8 W CA 1.401 58.438 57.345 -0.514 0.000 1.228 8 W CB -0.189 29.207 29.460 -0.107 0.000 1.135 8 W HN 0.538 nan 8.180 nan 0.000 0.537 9 D N -0.077 119.583 120.400 -1.232 0.000 2.347 9 D HA -0.110 4.531 4.640 0.001 0.000 0.213 9 D C -0.129 175.986 176.300 -0.309 0.000 0.985 9 D CA 0.673 54.016 54.000 -1.095 0.000 0.879 9 D CB -0.465 39.350 40.800 -1.641 0.000 0.919 9 D HN 0.133 nan 8.370 nan 0.000 0.526 10 D N -0.296 119.964 120.400 -0.234 0.000 3.285 10 D HA 0.182 4.822 4.640 0.001 0.000 0.273 10 D C -2.143 174.099 176.300 -0.097 0.000 1.295 10 D CA -1.542 52.393 54.000 -0.107 0.000 0.762 10 D CB 1.226 41.930 40.800 -0.160 0.000 1.379 10 D HN -0.218 nan 8.370 nan 0.000 0.612 11 P HA -0.069 nan 4.420 nan 0.000 0.216 11 P C 1.190 178.557 177.300 0.111 0.000 1.153 11 P CA 0.980 64.128 63.100 0.080 0.000 0.858 11 P CB 0.296 32.153 31.700 0.261 0.000 0.789 12 L N -1.312 119.945 121.223 0.057 0.000 2.685 12 L HA 0.171 4.511 4.340 0.001 0.000 0.233 12 L C 0.269 177.132 176.870 -0.011 0.000 1.173 12 L CA -0.286 54.576 54.840 0.037 0.000 0.961 12 L CB -0.672 41.406 42.059 0.030 0.000 1.217 12 L HN -0.092 nan 8.230 nan 0.000 0.478 13 L N 0.454 121.638 121.223 -0.065 0.000 3.895 13 L HA -0.268 4.073 4.340 0.001 0.000 0.511 13 L C 1.567 178.393 176.870 -0.073 0.000 1.222 13 L CA -0.141 54.622 54.840 -0.129 0.000 0.739 13 L CB -1.026 40.935 42.059 -0.164 0.000 1.425 13 L HN 0.365 nan 8.230 nan 0.000 0.817 14 L N 0.379 121.576 121.223 -0.043 0.000 2.127 14 L HA -0.199 4.142 4.340 0.001 0.000 0.211 14 L C 1.907 178.771 176.870 -0.010 0.000 1.089 14 L CA 2.557 57.396 54.840 -0.002 0.000 0.757 14 L CB -0.186 41.891 42.059 0.030 0.000 0.899 14 L HN 0.502 nan 8.230 nan 0.000 0.434 15 D N -0.937 119.432 120.400 -0.053 0.000 2.182 15 D HA -0.235 4.406 4.640 0.001 0.000 0.201 15 D C 1.887 178.157 176.300 -0.050 0.000 0.986 15 D CA 1.329 55.294 54.000 -0.058 0.000 0.847 15 D CB 0.035 40.773 40.800 -0.104 0.000 0.942 15 D HN 0.563 nan 8.370 nan 0.000 0.467 16 Q N -0.920 118.844 119.800 -0.061 0.000 2.280 16 Q HA 0.141 4.481 4.340 0.001 0.000 0.201 16 Q C 1.255 177.243 176.000 -0.019 0.000 0.890 16 Q CA -0.005 55.770 55.803 -0.046 0.000 0.947 16 Q CB 0.569 29.268 28.738 -0.065 0.000 1.081 16 Q HN 0.400 nan 8.270 nan 0.000 0.502 17 Q N -0.315 119.484 119.800 -0.003 0.000 2.352 17 Q HA 0.176 4.516 4.340 0.001 0.000 0.212 17 Q C -0.076 175.944 176.000 0.032 0.000 0.888 17 Q CA -0.003 55.810 55.803 0.018 0.000 0.934 17 Q CB 0.744 29.500 28.738 0.031 0.000 1.093 17 Q HN 0.282 nan 8.270 nan 0.000 0.523 18 L N 0.893 122.132 121.223 0.026 0.000 2.395 18 L HA 0.353 4.693 4.340 0.001 0.000 0.269 18 L C 0.186 177.061 176.870 0.010 0.000 1.133 18 L CA -0.860 53.996 54.840 0.026 0.000 0.812 18 L CB 0.631 42.701 42.059 0.018 0.000 1.125 18 L HN 0.015 nan 8.230 nan 0.000 0.452 19 A N 1.199 124.024 122.820 0.009 0.000 2.388 19 A HA 0.047 4.368 4.320 0.001 0.000 0.257 19 A C 0.839 178.418 177.584 -0.009 0.000 1.095 19 A CA -0.265 51.772 52.037 -0.000 0.000 0.791 19 A CB 0.276 19.276 19.000 0.001 0.000 1.029 19 A HN 0.938 nan 8.150 nan 0.000 0.489 20 D N 1.022 121.415 120.400 -0.012 0.000 2.172 20 D HA -0.236 4.405 4.640 0.001 0.000 0.196 20 D C 1.521 177.810 176.300 -0.018 0.000 0.999 20 D CA 2.207 56.197 54.000 -0.016 0.000 0.856 20 D CB 0.132 40.923 40.800 -0.015 0.000 0.934 20 D HN 0.734 nan 8.370 nan 0.000 0.453 21 D N 0.207 120.596 120.400 -0.019 0.000 2.117 21 D HA -0.215 4.425 4.640 0.001 0.000 0.197 21 D C 1.671 177.955 176.300 -0.027 0.000 0.987 21 D CA 1.009 54.995 54.000 -0.023 0.000 0.829 21 D CB -0.674 40.111 40.800 -0.025 0.000 0.961 21 D HN 0.409 nan 8.370 nan 0.000 0.460 22 E N 0.417 120.602 120.200 -0.026 0.000 2.118 22 E HA -0.130 4.220 4.350 0.001 0.000 0.195 22 E C 2.478 179.058 176.600 -0.033 0.000 0.992 22 E CA 0.813 57.193 56.400 -0.032 0.000 0.804 22 E CB 0.005 29.691 29.700 -0.023 0.000 0.741 22 E HN 0.295 nan 8.360 nan 0.000 0.458 23 R N -0.085 120.400 120.500 -0.025 0.000 2.092 23 R HA -0.035 4.306 4.340 0.001 0.000 0.231 23 R C 2.327 178.612 176.300 -0.025 0.000 1.119 23 R CA 1.212 57.296 56.100 -0.027 0.000 0.970 23 R CB -0.124 30.159 30.300 -0.028 0.000 0.864 23 R HN 0.231 nan 8.270 nan 0.000 0.440 24 M N -0.029 119.557 119.600 -0.022 0.000 2.200 24 M HA -0.120 4.361 4.480 0.001 0.000 0.265 24 M C 2.239 178.531 176.300 -0.013 0.000 1.066 24 M CA 1.171 56.461 55.300 -0.016 0.000 1.127 24 M CB -0.054 32.536 32.600 -0.017 0.000 1.379 24 M HN -0.034 nan 8.290 nan 0.000 0.420 25 V N 0.459 120.360 119.914 -0.023 0.000 2.287 25 V HA -0.316 3.804 4.120 0.001 0.000 0.248 25 V C 2.426 178.511 176.094 -0.014 0.000 1.053 25 V CA 2.061 64.345 62.300 -0.026 0.000 1.027 25 V CB -0.922 30.875 31.823 -0.043 0.000 0.646 25 V HN 0.497 nan 8.190 nan 0.000 0.447 26 R N 0.113 120.602 120.500 -0.019 0.000 2.081 26 R HA -0.205 4.136 4.340 0.001 0.000 0.235 26 R C 1.937 178.261 176.300 0.040 0.000 1.131 26 R CA 2.255 58.354 56.100 -0.001 0.000 0.960 26 R CB -0.355 29.935 30.300 -0.016 0.000 0.856 26 R HN 0.528 nan 8.270 nan 0.000 0.436 27 D N 0.040 120.453 120.400 0.022 0.000 2.224 27 D HA -0.037 4.604 4.640 0.001 0.000 0.205 27 D C 1.609 177.967 176.300 0.096 0.000 0.965 27 D CA 1.158 55.187 54.000 0.047 0.000 0.852 27 D CB -0.052 40.748 40.800 -0.000 0.000 0.947 27 D HN 0.362 nan 8.370 nan 0.000 0.494 28 A N 0.868 123.726 122.820 0.062 0.000 1.898 28 A HA 0.043 4.364 4.320 0.001 0.000 0.216 28 A C 2.266 179.911 177.584 0.103 0.000 1.181 28 A CA 1.828 53.904 52.037 0.065 0.000 0.620 28 A CB -0.711 18.304 19.000 0.025 0.000 0.819 28 A HN 0.221 nan 8.150 nan 0.000 0.442 29 A N -0.936 121.940 122.820 0.094 0.000 1.898 29 A HA -0.140 4.181 4.320 0.001 0.000 0.216 29 A C 1.996 179.678 177.584 0.163 0.000 1.181 29 A CA 1.980 54.092 52.037 0.125 0.000 0.620 29 A CB -0.880 18.166 19.000 0.077 0.000 0.819 29 A HN 0.796 nan 8.150 nan 0.000 0.442 30 H N -0.169 118.935 119.070 0.057 0.000 2.321 30 H HA 0.027 4.584 4.556 0.001 0.000 0.300 30 H C 2.170 177.516 175.328 0.031 0.000 1.087 30 H CA 1.990 58.062 56.048 0.040 0.000 1.319 30 H CB -0.176 29.600 29.762 0.023 0.000 1.379 30 H HN 0.390 nan 8.280 nan 0.000 0.501 31 A N 0.023 122.930 122.820 0.145 0.000 1.877 31 A HA -0.230 4.090 4.320 0.001 0.000 0.216 31 A C 2.355 179.942 177.584 0.004 0.000 1.186 31 A CA 1.670 53.748 52.037 0.069 0.000 0.620 31 A CB -1.441 17.619 19.000 0.099 0.000 0.822 31 A HN 0.743 nan 8.150 nan 0.000 0.443 32 Y N 0.449 120.724 120.300 -0.041 0.000 2.145 32 Y HA -0.085 4.466 4.550 0.001 0.000 0.286 32 Y C 2.601 178.441 175.900 -0.099 0.000 1.145 32 Y CA 1.631 59.693 58.100 -0.064 0.000 1.148 32 Y CB -0.410 38.015 38.460 -0.059 0.000 0.981 32 Y HN 0.306 nan 8.280 nan 0.000 0.507 33 A N 0.191 122.874 122.820 -0.227 0.000 1.872 33 A HA -0.161 4.159 4.320 0.001 0.000 0.214 33 A C 2.048 179.439 177.584 -0.322 0.000 1.187 33 A CA 1.560 53.411 52.037 -0.311 0.000 0.614 33 A CB -0.639 18.318 19.000 -0.071 0.000 0.826 33 A HN 0.532 nan 8.150 nan 0.000 0.442 34 Q N -0.145 119.465 119.800 -0.317 0.000 2.124 34 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 34 Q C 2.125 177.997 176.000 -0.214 0.000 0.977 34 Q CA 1.594 57.228 55.803 -0.281 0.000 0.850 34 Q CB -1.077 27.424 28.738 -0.395 0.000 0.901 34 Q HN 0.640 nan 8.270 nan 0.000 0.429 35 G N 0.684 109.346 108.800 -0.230 0.000 2.434 35 G HA2 -0.221 3.740 3.960 0.001 0.000 0.214 35 G HA3 -0.221 3.740 3.960 0.001 0.000 0.214 35 G C 1.483 176.238 174.900 -0.242 0.000 1.202 35 G CA 0.772 45.759 45.100 -0.189 0.000 0.788 35 G HN 0.262 nan 8.290 nan 0.000 0.539 36 K N -0.617 119.524 120.400 -0.432 0.000 2.276 36 K HA 0.394 4.715 4.320 0.001 0.000 0.198 36 K C 2.360 178.728 176.600 -0.387 0.000 1.052 36 K CA 0.098 56.131 56.287 -0.424 0.000 0.984 36 K CB 0.079 32.236 32.500 -0.570 0.000 0.836 36 K HN 0.252 nan 8.250 nan 0.000 0.490 37 L N -0.554 120.387 121.223 -0.470 0.000 2.221 37 L HA 0.187 4.528 4.340 0.001 0.000 0.202 37 L C 2.290 179.115 176.870 -0.075 0.000 1.074 37 L CA 0.679 55.317 54.840 -0.336 0.000 0.795 37 L CB -0.505 41.268 42.059 -0.477 0.000 0.960 37 L HN 0.067 nan 8.230 nan 0.000 0.458 38 A N 1.379 124.140 122.820 -0.098 0.000 1.884 38 A HA -0.176 4.145 4.320 0.001 0.000 0.219 38 A C 0.018 177.599 177.584 -0.006 0.000 1.197 38 A CA 2.133 54.152 52.037 -0.030 0.000 0.637 38 A CB -2.000 16.962 19.000 -0.062 0.000 0.827 38 A HN 0.278 nan 8.150 nan 0.000 0.450 39 P HA -0.119 nan 4.420 nan 0.000 0.219 39 P C 1.300 178.615 177.300 0.026 0.000 1.146 39 P CA 1.228 64.324 63.100 -0.006 0.000 0.808 39 P CB -0.096 31.589 31.700 -0.025 0.000 0.779 40 R N -1.114 119.412 120.500 0.043 0.000 2.200 40 R HA 0.036 4.377 4.340 0.001 0.000 0.208 40 R C 2.168 178.556 176.300 0.147 0.000 1.033 40 R CA 0.310 56.467 56.100 0.096 0.000 1.000 40 R CB -0.932 29.435 30.300 0.111 0.000 0.906 40 R HN 0.090 nan 8.270 nan 0.000 0.462 41 V N 0.765 120.770 119.914 0.151 0.000 2.358 41 V HA -0.226 3.895 4.120 0.001 0.000 0.246 41 V C 1.649 177.795 176.094 0.086 0.000 1.047 41 V CA 2.296 64.679 62.300 0.138 0.000 1.035 41 V CB -0.191 31.695 31.823 0.105 0.000 0.658 41 V HN 0.357 nan 8.190 nan 0.000 0.452 42 T N 0.969 115.561 114.554 0.064 0.000 2.684 42 T HA -0.178 4.173 4.350 0.001 0.000 0.267 42 T C 1.716 176.500 174.700 0.140 0.000 1.036 42 T CA 1.787 63.930 62.100 0.072 0.000 1.148 42 T CB -0.372 68.525 68.868 0.049 0.000 0.863 42 T HN 0.753 nan 8.240 nan 0.000 0.436 43 E N 2.279 122.558 120.200 0.132 0.000 2.047 43 E HA -0.014 4.337 4.350 0.001 0.000 0.191 43 E C 2.573 179.277 176.600 0.173 0.000 0.987 43 E CA 1.224 57.721 56.400 0.160 0.000 0.799 43 E CB -1.091 28.691 29.700 0.137 0.000 0.752 43 E HN 0.516 nan 8.360 nan 0.000 0.449 44 A N 1.391 124.305 122.820 0.156 0.000 1.892 44 A HA -0.199 4.121 4.320 0.001 0.000 0.218 44 A C 2.148 179.797 177.584 0.109 0.000 1.188 44 A CA 1.797 53.919 52.037 0.142 0.000 0.631 44 A CB -1.050 18.046 19.000 0.160 0.000 0.822 44 A HN 0.289 nan 8.150 nan 0.000 0.447 45 F N 0.035 119.968 119.950 -0.030 0.000 2.084 45 F HA -0.115 4.413 4.527 0.001 0.000 0.296 45 F C 2.403 178.171 175.800 -0.053 0.000 1.111 45 F CA 2.052 60.015 58.000 -0.062 0.000 1.224 45 F CB -0.324 38.616 39.000 -0.099 0.000 0.991 45 F HN 0.168 nan 8.300 nan 0.000 0.471 46 R N -0.926 119.660 120.500 0.144 0.000 2.119 46 R HA -0.230 4.111 4.340 0.001 0.000 0.246 46 R C 1.036 177.122 176.300 -0.357 0.000 1.146 46 R CA 2.321 58.380 56.100 -0.067 0.000 0.962 46 R CB -0.472 29.825 30.300 -0.006 0.000 0.863 46 R HN 0.476 nan 8.270 nan 0.000 0.442 47 H N -1.432 117.635 119.070 -0.004 0.000 2.581 47 H HA 0.197 4.754 4.556 0.001 0.000 0.275 47 H C -0.693 174.632 175.328 -0.004 0.000 1.126 47 H CA -0.016 56.028 56.048 -0.006 0.000 1.097 47 H CB 0.719 30.493 29.762 0.019 0.000 1.626 47 H HN 0.225 nan 8.280 nan 0.000 0.565 48 E N 1.782 121.986 120.200 0.007 0.000 2.228 48 E HA -0.191 4.160 4.350 0.001 0.000 0.213 48 E C -0.192 176.468 176.600 0.100 0.000 1.282 48 E CA 0.425 56.831 56.400 0.011 0.000 0.707 48 E CB -0.625 29.093 29.700 0.029 0.000 1.150 48 E HN 0.601 nan 8.360 nan 0.000 0.362 49 T N -2.043 112.576 114.554 0.108 0.000 2.813 49 T HA 0.323 4.673 4.350 0.001 0.000 0.297 49 T C 0.468 175.243 174.700 0.125 0.000 1.036 49 T CA -0.263 61.912 62.100 0.125 0.000 1.044 49 T CB 1.580 70.523 68.868 0.124 0.000 0.993 49 T HN 0.084 nan 8.240 nan 0.000 0.535 50 T N 2.189 116.820 114.554 0.129 0.000 2.767 50 T HA 0.416 4.767 4.350 0.001 0.000 0.288 50 T C -0.735 174.050 174.700 0.141 0.000 0.963 50 T CA -0.502 61.678 62.100 0.135 0.000 1.019 50 T CB 0.823 69.767 68.868 0.128 0.000 0.923 50 T HN 0.746 nan 8.240 nan 0.000 0.468 51 D N 1.834 122.334 120.400 0.167 0.000 2.389 51 D HA 0.485 5.125 4.640 0.001 0.000 0.256 51 D C 0.618 177.035 176.300 0.195 0.000 1.239 51 D CA -0.733 53.363 54.000 0.161 0.000 0.925 51 D CB 0.995 41.891 40.800 0.160 0.000 1.145 51 D HN 0.477 nan 8.370 nan 0.000 0.542 52 A N 2.848 125.792 122.820 0.207 0.000 2.072 52 A HA 0.212 4.533 4.320 0.001 0.000 0.216 52 A C 2.016 179.782 177.584 0.303 0.000 1.156 52 A CA 1.131 53.350 52.037 0.305 0.000 0.701 52 A CB -0.136 18.996 19.000 0.220 0.000 0.816 52 A HN 0.560 nan 8.150 nan 0.000 0.458 53 A N 0.297 123.222 122.820 0.175 0.000 2.131 53 A HA -0.086 4.234 4.320 0.001 0.000 0.220 53 A C 1.880 179.526 177.584 0.103 0.000 1.158 53 A CA 1.341 53.457 52.037 0.132 0.000 0.665 53 A CB -0.711 18.343 19.000 0.090 0.000 0.795 53 A HN 0.542 nan 8.150 nan 0.000 0.460 54 I N -1.851 118.744 120.570 0.042 0.000 2.454 54 I HA -0.237 3.934 4.170 0.001 0.000 0.254 54 I C 2.012 178.031 176.117 -0.162 0.000 1.156 54 I CA 1.064 62.308 61.300 -0.094 0.000 1.433 54 I CB -0.379 37.467 38.000 -0.256 0.000 1.082 54 I HN 0.313 nan 8.210 nan 0.000 0.432 55 F N 0.760 120.727 119.950 0.029 0.000 2.146 55 F HA -0.108 4.419 4.527 0.001 0.000 0.298 55 F C 2.690 178.480 175.800 -0.015 0.000 1.096 55 F CA 1.173 59.179 58.000 0.011 0.000 1.275 55 F CB -0.503 38.521 39.000 0.040 0.000 1.008 55 F HN -0.133 nan 8.300 nan 0.000 0.480 56 R N 0.631 121.234 120.500 0.171 0.000 2.081 56 R HA -0.144 4.196 4.340 0.001 0.000 0.235 56 R C 2.048 178.352 176.300 0.007 0.000 1.131 56 R CA 1.460 57.607 56.100 0.078 0.000 0.960 56 R CB -0.766 29.578 30.300 0.074 0.000 0.856 56 R HN 0.404 nan 8.270 nan 0.000 0.436 57 E N 0.283 120.481 120.200 -0.003 0.000 2.058 57 E HA -0.173 4.177 4.350 0.001 0.000 0.194 57 E C 2.089 178.521 176.600 -0.280 0.000 0.997 57 E CA 1.604 57.969 56.400 -0.057 0.000 0.801 57 E CB -0.071 29.687 29.700 0.096 0.000 0.746 57 E HN 0.270 nan 8.360 nan 0.000 0.450 58 M N -0.359 119.030 119.600 -0.353 0.000 2.200 58 M HA -0.023 4.458 4.480 0.001 0.000 0.265 58 M C 2.428 178.597 176.300 -0.218 0.000 1.066 58 M CA 1.267 56.305 55.300 -0.436 0.000 1.127 58 M CB -0.195 32.193 32.600 -0.354 0.000 1.379 58 M HN 0.190 nan 8.290 nan 0.000 0.420 59 G N 0.104 108.842 108.800 -0.103 0.000 2.418 59 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 59 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 59 G C 1.307 176.166 174.900 -0.067 0.000 1.158 59 G CA 0.822 45.891 45.100 -0.052 0.000 0.771 59 G HN 0.458 nan 8.290 nan 0.000 0.545 60 E N 0.218 120.376 120.200 -0.071 0.000 2.065 60 E HA -0.194 4.157 4.350 0.001 0.000 0.201 60 E C 2.197 178.757 176.600 -0.067 0.000 1.016 60 E CA 1.551 57.916 56.400 -0.058 0.000 0.818 60 E CB -0.237 29.434 29.700 -0.049 0.000 0.749 60 E HN 0.679 nan 8.360 nan 0.000 0.453 61 I N -3.009 117.502 120.570 -0.099 0.000 3.855 61 I HA 0.360 4.531 4.170 0.001 0.000 0.327 61 I C 0.654 176.714 176.117 -0.095 0.000 1.359 61 I CA 0.143 61.389 61.300 -0.090 0.000 1.142 61 I CB 0.031 37.974 38.000 -0.095 0.000 1.041 61 I HN 0.103 nan 8.210 nan 0.000 0.403 62 G N 2.590 111.334 108.800 -0.093 0.000 2.374 62 G HA2 -0.228 3.732 3.960 0.001 0.000 0.289 62 G HA3 -0.228 3.732 3.960 0.001 0.000 0.289 62 G C 0.087 174.933 174.900 -0.091 0.000 1.004 62 G CA 0.432 45.482 45.100 -0.083 0.000 1.292 62 G HN 0.563 nan 8.290 nan 0.000 0.502 63 L N -0.470 120.690 121.223 -0.105 0.000 2.966 63 L HA 0.360 4.700 4.340 0.001 0.000 0.262 63 L C 1.087 177.922 176.870 -0.059 0.000 1.165 63 L CA -0.235 54.551 54.840 -0.090 0.000 0.978 63 L CB 0.226 42.207 42.059 -0.129 0.000 1.337 63 L HN 0.264 nan 8.230 nan 0.000 0.563 64 L N 1.349 122.540 121.223 -0.053 0.000 2.275 64 L HA 0.466 4.807 4.340 0.001 0.000 0.288 64 L C 0.814 177.651 176.870 -0.054 0.000 1.046 64 L CA -0.262 54.569 54.840 -0.015 0.000 0.805 64 L CB 1.183 43.263 42.059 0.035 0.000 1.193 64 L HN 0.268 nan 8.230 nan 0.000 0.426 65 G N 4.536 113.283 108.800 -0.088 0.000 2.374 65 G HA2 -0.183 3.777 3.960 0.001 0.000 0.289 65 G HA3 -0.183 3.777 3.960 0.001 0.000 0.289 65 G C -1.895 172.865 174.900 -0.233 0.000 1.004 65 G CA -0.617 44.376 45.100 -0.179 0.000 1.292 65 G HN 0.576 nan 8.290 nan 0.000 0.502 66 P HA -0.114 nan 4.420 nan 0.000 0.216 66 P C 2.079 179.207 177.300 -0.286 0.000 1.150 66 P CA 2.178 65.139 63.100 -0.232 0.000 0.837 66 P CB 0.063 31.656 31.700 -0.178 0.000 0.786 67 T N -4.515 109.799 114.554 -0.399 0.000 3.081 67 T HA 0.106 4.456 4.350 0.001 0.000 0.250 67 T C 0.867 175.300 174.700 -0.446 0.000 1.100 67 T CA -0.096 61.738 62.100 -0.445 0.000 1.038 67 T CB -0.571 67.925 68.868 -0.620 0.000 0.962 67 T HN -0.175 nan 8.240 nan 0.000 0.516 68 I N 3.527 123.843 120.570 -0.424 0.000 2.598 68 I HA 0.266 4.437 4.170 0.001 0.000 0.284 68 I C -2.335 173.571 176.117 -0.351 0.000 1.140 68 I CA -2.926 58.077 61.300 -0.495 0.000 1.420 68 I CB 0.000 37.807 38.000 -0.322 0.000 1.387 68 I HN 0.030 nan 8.210 nan 0.000 0.553 69 P HA 0.073 nan 4.420 nan 0.000 0.270 69 P C 0.718 177.943 177.300 -0.126 0.000 1.223 69 P CA -0.190 62.794 63.100 -0.194 0.000 0.785 69 P CB 0.611 32.235 31.700 -0.127 0.000 0.923 70 E N 1.127 121.255 120.200 -0.120 0.000 2.153 70 E HA -0.264 4.086 4.350 0.001 0.000 0.194 70 E C 1.672 178.196 176.600 -0.127 0.000 0.988 70 E CA 0.873 57.210 56.400 -0.104 0.000 0.811 70 E CB -0.219 29.425 29.700 -0.094 0.000 0.746 70 E HN 0.598 nan 8.360 nan 0.000 0.466 71 Q N 0.046 119.726 119.800 -0.199 0.000 2.308 71 Q HA -0.189 4.151 4.340 0.001 0.000 0.209 71 Q C 0.349 176.060 176.000 -0.482 0.000 0.985 71 Q CA 1.274 56.863 55.803 -0.357 0.000 0.881 71 Q CB 0.100 28.556 28.738 -0.470 0.000 0.917 71 Q HN 0.373 nan 8.270 nan 0.000 0.443 72 Y N -1.901 118.388 120.300 -0.018 0.000 2.706 72 Y HA 0.348 4.899 4.550 0.001 0.000 0.255 72 Y C 1.049 176.928 175.900 -0.035 0.000 1.163 72 Y CA 0.107 58.205 58.100 -0.004 0.000 1.174 72 Y CB 1.121 39.605 38.460 0.040 0.000 1.200 72 Y HN 0.155 nan 8.280 nan 0.000 0.544 73 G N -0.412 108.410 108.800 0.037 0.000 2.175 73 G HA2 -0.239 3.722 3.960 0.001 0.000 0.244 73 G HA3 -0.239 3.722 3.960 0.001 0.000 0.244 73 G C 0.791 175.675 174.900 -0.027 0.000 0.982 73 G CA -0.127 44.972 45.100 -0.002 0.000 0.641 73 G HN 0.758 nan 8.290 nan 0.000 0.527 74 G N 0.164 108.940 108.800 -0.039 0.000 2.606 74 G HA2 0.555 4.516 3.960 0.001 0.000 0.252 74 G HA3 0.555 4.516 3.960 0.001 0.000 0.252 74 G C -0.613 174.228 174.900 -0.098 0.000 1.206 74 G CA -0.191 44.857 45.100 -0.088 0.000 0.861 74 G HN 0.147 nan 8.290 nan 0.000 0.561 75 P HA 0.106 nan 4.420 nan 0.000 0.249 75 P C 0.996 178.227 177.300 -0.115 0.000 1.229 75 P CA 0.687 63.727 63.100 -0.101 0.000 0.788 75 P CB 0.430 32.074 31.700 -0.093 0.000 1.072 76 G N 0.423 109.135 108.800 -0.147 0.000 2.338 76 G HA2 -0.250 3.711 3.960 0.001 0.000 0.296 76 G HA3 -0.250 3.711 3.960 0.001 0.000 0.296 76 G C -0.133 174.676 174.900 -0.152 0.000 1.040 76 G CA -0.038 44.967 45.100 -0.158 0.000 1.004 76 G HN 0.289 nan 8.290 nan 0.000 0.509 77 L N -0.539 120.580 121.223 -0.174 0.000 2.569 77 L HA 0.669 5.010 4.340 0.001 0.000 0.247 77 L C 0.897 177.645 176.870 -0.203 0.000 1.135 77 L CA -0.730 54.018 54.840 -0.153 0.000 0.812 77 L CB 0.503 42.486 42.059 -0.127 0.000 1.431 77 L HN 0.430 nan 8.230 nan 0.000 0.499 78 D N -2.572 117.732 120.400 -0.161 0.000 2.549 78 D HA 0.117 4.758 4.640 0.001 0.000 0.270 78 D C 0.416 176.621 176.300 -0.157 0.000 1.181 78 D CA -0.273 53.612 54.000 -0.191 0.000 1.070 78 D CB 0.314 41.073 40.800 -0.068 0.000 1.154 78 D HN 0.313 nan 8.370 nan 0.000 0.602 79 Y N -0.794 119.501 120.300 -0.008 0.000 2.373 79 Y HA -0.028 4.523 4.550 0.001 0.000 0.293 79 Y C 2.302 178.287 175.900 0.142 0.000 1.129 79 Y CA 0.529 58.648 58.100 0.033 0.000 1.226 79 Y CB -0.326 38.013 38.460 -0.202 0.000 1.000 79 Y HN 0.169 nan 8.280 nan 0.000 0.549 80 V N -1.195 118.845 119.914 0.211 0.000 2.343 80 V HA -0.278 3.843 4.120 0.001 0.000 0.247 80 V C 2.179 178.148 176.094 -0.208 0.000 1.051 80 V CA 2.208 64.544 62.300 0.061 0.000 1.036 80 V CB -0.720 31.168 31.823 0.108 0.000 0.654 80 V HN 0.333 nan 8.190 nan 0.000 0.451 81 S N -1.654 113.987 115.700 -0.098 0.000 2.406 81 S HA -0.168 4.303 4.470 0.001 0.000 0.228 81 S C 1.757 176.301 174.600 -0.092 0.000 1.020 81 S CA 1.300 59.426 58.200 -0.123 0.000 0.965 81 S CB -0.447 62.709 63.200 -0.074 0.000 0.798 81 S HN 0.713 nan 8.310 nan 0.000 0.488 82 Y N 2.244 122.451 120.300 -0.155 0.000 2.081 82 Y HA -0.261 4.289 4.550 0.001 0.000 0.280 82 Y C 2.529 178.281 175.900 -0.247 0.000 1.163 82 Y CA 1.151 59.194 58.100 -0.094 0.000 1.135 82 Y CB -0.700 37.814 38.460 0.091 0.000 0.970 82 Y HN 0.343 nan 8.280 nan 0.000 0.498 83 G N 0.514 108.934 108.800 -0.633 0.000 2.446 83 G HA2 -0.269 3.692 3.960 0.001 0.000 0.217 83 G HA3 -0.269 3.692 3.960 0.001 0.000 0.217 83 G C 1.567 175.827 174.900 -1.067 0.000 1.168 83 G CA 1.254 45.376 45.100 -1.630 0.000 0.771 83 G HN 0.436 nan 8.290 nan 0.000 0.551 84 L N 0.053 120.733 121.223 -0.906 0.000 2.046 84 L HA -0.053 4.287 4.340 0.001 0.000 0.208 84 L C 2.887 179.654 176.870 -0.171 0.000 1.077 84 L CA 0.736 55.322 54.840 -0.423 0.000 0.747 84 L CB -0.445 41.437 42.059 -0.296 0.000 0.896 84 L HN 0.214 nan 8.230 nan 0.000 0.432 85 I N 0.105 120.587 120.570 -0.147 0.000 2.142 85 I HA -0.289 3.882 4.170 0.001 0.000 0.240 85 I C 2.838 178.939 176.117 -0.026 0.000 1.078 85 I CA 1.349 62.624 61.300 -0.042 0.000 1.343 85 I CB -0.522 37.481 38.000 0.005 0.000 1.046 85 I HN 0.187 nan 8.210 nan 0.000 0.405 86 A N 0.672 123.436 122.820 -0.092 0.000 1.933 86 A HA -0.240 4.080 4.320 0.001 0.000 0.218 86 A C 2.420 180.008 177.584 0.008 0.000 1.175 86 A CA 1.808 53.810 52.037 -0.058 0.000 0.628 86 A CB -0.668 18.220 19.000 -0.187 0.000 0.814 86 A HN 0.374 nan 8.150 nan 0.000 0.444 87 R N -0.371 120.147 120.500 0.031 0.000 2.083 87 R HA -0.171 4.169 4.340 0.001 0.000 0.237 87 R C 1.929 178.279 176.300 0.084 0.000 1.137 87 R CA 1.809 57.970 56.100 0.102 0.000 0.951 87 R CB -0.217 30.207 30.300 0.208 0.000 0.851 87 R HN 0.432 nan 8.270 nan 0.000 0.434 88 E N 0.081 120.328 120.200 0.078 0.000 2.077 88 E HA -0.134 4.216 4.350 0.001 0.000 0.193 88 E C 2.104 178.760 176.600 0.092 0.000 0.989 88 E CA 1.300 57.760 56.400 0.100 0.000 0.800 88 E CB -0.274 29.494 29.700 0.114 0.000 0.746 88 E HN 0.241 nan 8.360 nan 0.000 0.452 89 V N 1.131 121.102 119.914 0.094 0.000 2.343 89 V HA -0.236 3.885 4.120 0.001 0.000 0.247 89 V C 2.433 178.609 176.094 0.137 0.000 1.051 89 V CA 2.077 64.449 62.300 0.120 0.000 1.036 89 V CB -0.433 31.464 31.823 0.123 0.000 0.654 89 V HN 0.254 nan 8.190 nan 0.000 0.451 90 E N 0.217 120.481 120.200 0.107 0.000 2.152 90 E HA -0.215 4.136 4.350 0.001 0.000 0.192 90 E C 2.382 179.057 176.600 0.125 0.000 0.983 90 E CA 0.772 57.237 56.400 0.109 0.000 0.818 90 E CB -0.156 29.582 29.700 0.064 0.000 0.758 90 E HN 0.425 nan 8.360 nan 0.000 0.467 91 R N 0.029 120.582 120.500 0.089 0.000 2.140 91 R HA -0.228 4.113 4.340 0.001 0.000 0.250 91 R C 1.944 178.343 176.300 0.165 0.000 1.150 91 R CA 1.969 58.115 56.100 0.077 0.000 0.966 91 R CB -0.284 30.061 30.300 0.074 0.000 0.869 91 R HN 0.158 nan 8.270 nan 0.000 0.445 92 V N -0.575 119.434 119.914 0.158 0.000 2.273 92 V HA -0.073 4.048 4.120 0.001 0.000 0.242 92 V C 0.580 176.777 176.094 0.172 0.000 1.035 92 V CA 1.865 64.264 62.300 0.166 0.000 1.013 92 V CB -0.300 31.607 31.823 0.140 0.000 0.652 92 V HN 0.488 nan 8.190 nan 0.000 0.452 93 D N -3.144 117.360 120.400 0.173 0.000 2.803 93 D HA 0.286 4.927 4.640 0.001 0.000 0.218 93 D C 0.520 176.854 176.300 0.058 0.000 1.245 93 D CA -0.019 53.991 54.000 0.016 0.000 0.821 93 D CB 1.917 42.572 40.800 -0.242 0.000 1.626 93 D HN -0.098 nan 8.370 nan 0.000 0.487 94 S N 1.269 116.995 115.700 0.042 0.000 2.368 94 S HA -0.018 4.453 4.470 0.001 0.000 0.224 94 S C 2.029 176.641 174.600 0.021 0.000 1.029 94 S CA 1.146 59.373 58.200 0.045 0.000 0.988 94 S CB -0.407 62.819 63.200 0.044 0.000 0.838 94 S HN 0.670 nan 8.310 nan 0.000 0.462 95 G N 0.421 109.203 108.800 -0.030 0.000 2.556 95 G HA2 -0.283 3.677 3.960 0.001 0.000 0.220 95 G HA3 -0.283 3.677 3.960 0.001 0.000 0.220 95 G C 1.149 176.062 174.900 0.022 0.000 1.156 95 G CA 1.195 46.267 45.100 -0.046 0.000 0.766 95 G HN 0.600 nan 8.290 nan 0.000 0.583 96 Y N -0.128 120.195 120.300 0.037 0.000 2.263 96 Y HA -0.005 4.546 4.550 0.001 0.000 0.292 96 Y C 3.072 178.976 175.900 0.007 0.000 1.130 96 Y CA 0.761 58.866 58.100 0.009 0.000 1.179 96 Y CB -0.054 38.414 38.460 0.014 0.000 0.998 96 Y HN 0.033 nan 8.280 nan 0.000 0.532 97 R N 0.487 121.096 120.500 0.182 0.000 2.096 97 R HA -0.161 4.180 4.340 0.001 0.000 0.235 97 R C 2.381 178.735 176.300 0.090 0.000 1.127 97 R CA 1.489 57.657 56.100 0.114 0.000 0.968 97 R CB -0.651 29.697 30.300 0.079 0.000 0.861 97 R HN 0.219 nan 8.270 nan 0.000 0.440 98 S N 0.473 116.218 115.700 0.076 0.000 2.359 98 S HA -0.158 4.313 4.470 0.001 0.000 0.224 98 S C 2.135 176.800 174.600 0.108 0.000 1.035 98 S CA 1.681 59.917 58.200 0.060 0.000 1.018 98 S CB -0.107 63.110 63.200 0.029 0.000 0.876 98 S HN 0.352 nan 8.310 nan 0.000 0.448 99 M N 0.585 120.264 119.600 0.132 0.000 2.082 99 M HA -0.159 4.322 4.480 0.001 0.000 0.258 99 M C 2.463 178.896 176.300 0.222 0.000 1.069 99 M CA 2.015 57.430 55.300 0.192 0.000 1.102 99 M CB -0.410 32.210 32.600 0.033 0.000 1.336 99 M HN 0.432 nan 8.290 nan 0.000 0.404 100 M N -0.671 118.994 119.600 0.108 0.000 2.254 100 M HA -0.120 4.361 4.480 0.001 0.000 0.265 100 M C 1.968 178.370 176.300 0.171 0.000 1.066 100 M CA 1.546 56.919 55.300 0.122 0.000 1.123 100 M CB -0.237 32.398 32.600 0.059 0.000 1.388 100 M HN 0.153 nan 8.290 nan 0.000 0.425 101 S N 0.387 116.182 115.700 0.159 0.000 2.356 101 S HA -0.109 4.361 4.470 0.001 0.000 0.223 101 S C 1.883 176.563 174.600 0.133 0.000 1.032 101 S CA 1.485 59.787 58.200 0.170 0.000 1.005 101 S CB -0.317 62.942 63.200 0.099 0.000 0.867 101 S HN 0.436 nan 8.310 nan 0.000 0.449 102 V N 1.447 121.433 119.914 0.120 0.000 2.295 102 V HA -0.210 3.910 4.120 0.001 0.000 0.246 102 V C 2.525 178.683 176.094 0.106 0.000 1.049 102 V CA 2.072 64.430 62.300 0.096 0.000 1.024 102 V CB -0.729 31.176 31.823 0.137 0.000 0.648 102 V HN 0.411 nan 8.190 nan 0.000 0.447 103 Q N 0.175 120.074 119.800 0.165 0.000 2.084 103 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 103 Q C 2.277 178.330 176.000 0.088 0.000 0.978 103 Q CA 2.413 58.303 55.803 0.146 0.000 0.844 103 Q CB -0.178 28.708 28.738 0.246 0.000 0.898 103 Q HN 0.668 nan 8.270 nan 0.000 0.426 104 S N -1.065 114.680 115.700 0.075 0.000 2.387 104 S HA 0.043 4.514 4.470 0.001 0.000 0.221 104 S C 1.928 176.509 174.600 -0.032 0.000 1.041 104 S CA 0.848 59.037 58.200 -0.018 0.000 0.959 104 S CB 0.044 63.193 63.200 -0.085 0.000 0.843 104 S HN 0.280 nan 8.310 nan 0.000 0.488 105 S N 1.039 116.765 115.700 0.042 0.000 2.470 105 S HA 0.322 4.792 4.470 0.001 0.000 0.222 105 S C 1.376 175.975 174.600 -0.002 0.000 1.024 105 S CA 0.294 58.528 58.200 0.056 0.000 0.931 105 S CB 0.022 63.318 63.200 0.160 0.000 0.791 105 S HN 0.301 nan 8.310 nan 0.000 0.513 106 L N 0.198 121.383 121.223 -0.064 0.000 2.664 106 L HA 0.312 4.653 4.340 0.001 0.000 0.233 106 L C 1.087 178.024 176.870 0.111 0.000 1.113 106 L CA 0.085 54.778 54.840 -0.245 0.000 0.896 106 L CB 0.372 42.042 42.059 -0.649 0.000 1.163 106 L HN 0.137 nan 8.230 nan 0.000 0.497 107 V N -1.392 118.594 119.914 0.121 0.000 3.278 107 V HA 0.047 4.168 4.120 0.001 0.000 0.215 107 V C 1.999 178.163 176.094 0.116 0.000 1.287 107 V CA 0.356 62.743 62.300 0.145 0.000 1.302 107 V CB 0.288 32.166 31.823 0.093 0.000 1.228 107 V HN 0.130 nan 8.190 nan 0.000 0.523 108 M N 0.095 119.743 119.600 0.081 0.000 2.086 108 M HA -0.163 4.318 4.480 0.001 0.000 0.261 108 M C 2.203 178.554 176.300 0.086 0.000 1.067 108 M CA 1.791 57.130 55.300 0.065 0.000 1.116 108 M CB -0.498 32.111 32.600 0.015 0.000 1.348 108 M HN 0.254 nan 8.290 nan 0.000 0.407 109 V N 1.066 121.026 119.914 0.077 0.000 2.233 109 V HA -0.205 3.916 4.120 0.001 0.000 0.247 109 V C -0.489 175.675 176.094 0.117 0.000 1.050 109 V CA 2.323 64.686 62.300 0.104 0.000 1.010 109 V CB -2.094 29.781 31.823 0.087 0.000 0.637 109 V HN 0.287 nan 8.190 nan 0.000 0.444 110 P HA -0.180 nan 4.420 nan 0.000 0.215 110 P C 1.840 179.272 177.300 0.219 0.000 1.157 110 P CA 1.814 65.154 63.100 0.400 0.000 0.874 110 P CB -0.111 31.979 31.700 0.650 0.000 0.790 111 I N -1.605 119.054 120.570 0.148 0.000 2.151 111 I HA -0.269 3.902 4.170 0.001 0.000 0.243 111 I C 2.548 178.683 176.117 0.028 0.000 1.080 111 I CA 1.546 62.890 61.300 0.073 0.000 1.339 111 I CB -0.805 37.227 38.000 0.054 0.000 1.039 111 I HN -0.163 nan 8.210 nan 0.000 0.409 112 F N 1.676 121.559 119.950 -0.113 0.000 2.134 112 F HA -0.226 4.301 4.527 0.001 0.000 0.299 112 F C 2.363 178.052 175.800 -0.184 0.000 1.097 112 F CA 1.935 59.834 58.000 -0.168 0.000 1.264 112 F CB -0.130 38.790 39.000 -0.134 0.000 1.001 112 F HN -0.021 nan 8.300 nan 0.000 0.479 113 E N -1.597 118.327 120.200 -0.459 0.000 2.276 113 E HA 0.027 4.377 4.350 0.001 0.000 0.193 113 E C 1.276 177.537 176.600 -0.566 0.000 0.983 113 E CA 0.727 56.682 56.400 -0.741 0.000 0.861 113 E CB -0.018 29.083 29.700 -0.998 0.000 0.817 113 E HN 0.390 nan 8.360 nan 0.000 0.485 114 F N -1.225 118.734 119.950 0.015 0.000 2.728 114 F HA 0.389 4.917 4.527 0.001 0.000 0.314 114 F C 1.052 176.870 175.800 0.030 0.000 1.094 114 F CA -0.136 57.903 58.000 0.065 0.000 1.217 114 F CB 0.302 39.364 39.000 0.104 0.000 1.056 114 F HN -0.133 nan 8.300 nan 0.000 0.577 115 G N 0.267 109.141 108.800 0.122 0.000 2.437 115 G HA2 0.425 4.386 3.960 0.001 0.000 0.319 115 G HA3 0.425 4.386 3.960 0.001 0.000 0.319 115 G C -0.078 174.874 174.900 0.086 0.000 1.158 115 G CA -0.363 44.772 45.100 0.058 0.000 0.899 115 G HN 0.151 nan 8.290 nan 0.000 0.502 116 S N 0.345 116.068 115.700 0.038 0.000 2.589 116 S HA 0.054 4.525 4.470 0.001 0.000 0.265 116 S C 0.724 175.372 174.600 0.080 0.000 1.342 116 S CA 0.052 58.299 58.200 0.078 0.000 1.005 116 S CB 1.065 64.284 63.200 0.032 0.000 0.909 116 S HN 0.484 nan 8.310 nan 0.000 0.555 117 D N 1.630 122.089 120.400 0.098 0.000 2.133 117 D HA -0.083 4.557 4.640 0.001 0.000 0.195 117 D C 2.214 178.571 176.300 0.095 0.000 0.997 117 D CA 1.908 55.969 54.000 0.101 0.000 0.840 117 D CB -0.928 39.941 40.800 0.114 0.000 0.947 117 D HN 0.703 nan 8.370 nan 0.000 0.452 118 A N 0.766 123.636 122.820 0.084 0.000 1.851 118 A HA -0.283 4.037 4.320 0.001 0.000 0.216 118 A C 2.140 179.779 177.584 0.093 0.000 1.195 118 A CA 1.919 54.002 52.037 0.078 0.000 0.622 118 A CB -0.878 18.163 19.000 0.067 0.000 0.831 118 A HN 0.223 nan 8.150 nan 0.000 0.444 119 Q N -0.465 119.414 119.800 0.131 0.000 2.096 119 Q HA -0.257 4.084 4.340 0.001 0.000 0.208 119 Q C 2.197 178.336 176.000 0.232 0.000 0.993 119 Q CA 2.164 58.120 55.803 0.254 0.000 0.862 119 Q CB -0.242 28.601 28.738 0.176 0.000 0.915 119 Q HN 0.646 nan 8.270 nan 0.000 0.416 120 K N 0.357 120.792 120.400 0.058 0.000 2.057 120 K HA -0.190 4.130 4.320 0.001 0.000 0.207 120 K C 2.006 178.582 176.600 -0.040 0.000 1.049 120 K CA 1.649 57.864 56.287 -0.121 0.000 0.931 120 K CB -0.070 32.169 32.500 -0.435 0.000 0.714 120 K HN 0.418 nan 8.250 nan 0.000 0.440 121 E N 0.823 121.070 120.200 0.079 0.000 2.216 121 E HA -0.166 4.185 4.350 0.001 0.000 0.192 121 E C 1.916 178.538 176.600 0.036 0.000 0.988 121 E CA 0.764 57.244 56.400 0.133 0.000 0.834 121 E CB -0.047 29.743 29.700 0.150 0.000 0.772 121 E HN 0.187 nan 8.360 nan 0.000 0.479 122 K N 0.247 120.629 120.400 -0.030 0.000 2.057 122 K HA -0.125 4.196 4.320 0.001 0.000 0.206 122 K C 1.313 177.794 176.600 -0.198 0.000 1.050 122 K CA 1.280 57.446 56.287 -0.202 0.000 0.935 122 K CB 0.017 32.260 32.500 -0.428 0.000 0.715 122 K HN 0.131 nan 8.250 nan 0.000 0.439 123 Y N 0.007 120.422 120.300 0.192 0.000 2.464 123 Y HA 0.114 4.665 4.550 0.001 0.000 0.288 123 Y C 1.871 177.872 175.900 0.169 0.000 1.133 123 Y CA 0.132 58.398 58.100 0.276 0.000 1.223 123 Y CB -0.035 38.550 38.460 0.208 0.000 1.187 123 Y HN -0.116 nan 8.280 nan 0.000 0.539 124 L N 0.219 121.571 121.223 0.215 0.000 2.017 124 L HA -0.129 4.212 4.340 0.001 0.000 0.208 124 L C -0.582 176.346 176.870 0.098 0.000 1.073 124 L CA 1.298 56.219 54.840 0.136 0.000 0.745 124 L CB -1.770 40.329 42.059 0.067 0.000 0.894 124 L HN 0.142 nan 8.230 nan 0.000 0.432 125 P HA -0.195 nan 4.420 nan 0.000 0.215 125 P C 1.284 178.544 177.300 -0.066 0.000 1.157 125 P CA 1.340 64.440 63.100 0.000 0.000 0.874 125 P CB -0.034 31.648 31.700 -0.029 0.000 0.790 126 K N -0.650 119.661 120.400 -0.149 0.000 2.097 126 K HA -0.039 4.281 4.320 0.001 0.000 0.205 126 K C 2.170 178.763 176.600 -0.011 0.000 1.050 126 K CA 1.116 57.246 56.287 -0.262 0.000 0.938 126 K CB -1.062 30.948 32.500 -0.817 0.000 0.718 126 K HN 0.265 nan 8.250 nan 0.000 0.442 127 L N 0.788 122.085 121.223 0.123 0.000 2.056 127 L HA -0.117 4.223 4.340 0.001 0.000 0.207 127 L C 2.649 179.567 176.870 0.079 0.000 1.078 127 L CA 1.134 56.061 54.840 0.145 0.000 0.749 127 L CB -0.676 41.484 42.059 0.168 0.000 0.901 127 L HN 0.103 nan 8.230 nan 0.000 0.433 128 A N 0.098 122.944 122.820 0.044 0.000 1.940 128 A HA -0.229 4.092 4.320 0.001 0.000 0.219 128 A C 2.394 179.979 177.584 0.002 0.000 1.176 128 A CA 2.371 54.415 52.037 0.013 0.000 0.631 128 A CB -0.920 18.079 19.000 -0.001 0.000 0.814 128 A HN 0.543 nan 8.150 nan 0.000 0.446 129 T N -5.014 109.535 114.554 -0.008 0.000 3.054 129 T HA 0.388 4.738 4.350 0.001 0.000 0.259 129 T C 1.535 176.249 174.700 0.023 0.000 1.092 129 T CA 1.178 63.269 62.100 -0.015 0.000 1.121 129 T CB 0.121 68.961 68.868 -0.047 0.000 0.912 129 T HN 1.695 nan 8.240 nan 0.000 0.489 130 G N 1.094 109.929 108.800 0.059 0.000 2.176 130 G HA2 -0.296 3.664 3.960 0.001 0.000 0.232 130 G HA3 -0.296 3.664 3.960 0.001 0.000 0.232 130 G C 0.616 175.577 174.900 0.102 0.000 0.986 130 G CA 0.589 45.766 45.100 0.129 0.000 0.643 130 G HN 0.562 nan 8.290 nan 0.000 0.522 131 E N -1.125 119.094 120.200 0.032 0.000 2.086 131 E HA -0.130 4.220 4.350 0.001 0.000 0.200 131 E C 0.378 177.079 176.600 0.168 0.000 1.012 131 E CA 1.165 57.571 56.400 0.010 0.000 0.812 131 E CB 0.017 29.610 29.700 -0.179 0.000 0.743 131 E HN 0.474 nan 8.360 nan 0.000 0.453 132 W N 0.481 121.772 121.300 -0.014 0.000 2.469 132 W HA 0.474 5.135 4.660 0.001 0.000 0.320 132 W C -0.259 176.182 176.519 -0.130 0.000 1.086 132 W CA -0.941 56.379 57.345 -0.042 0.000 1.211 132 W CB 0.521 29.989 29.460 0.014 0.000 1.298 132 W HN -0.031 nan 8.180 nan 0.000 0.525 133 I N 2.531 123.083 120.570 -0.030 0.000 2.460 133 I HA 0.684 4.855 4.170 0.001 0.000 0.298 133 I C 0.792 176.722 176.117 -0.313 0.000 0.989 133 I CA -0.632 60.445 61.300 -0.372 0.000 1.173 133 I CB 1.604 39.226 38.000 -0.630 0.000 1.338 133 I HN 0.406 nan 8.210 nan 0.000 0.456 134 G N 3.347 111.967 108.800 -0.300 0.000 2.498 134 G HA2 0.696 4.656 3.960 0.001 0.000 0.312 134 G HA3 0.696 4.656 3.960 0.001 0.000 0.312 134 G C -0.947 173.836 174.900 -0.196 0.000 1.230 134 G CA -0.518 44.449 45.100 -0.221 0.000 0.968 134 G HN 0.916 nan 8.290 nan 0.000 0.481 135 C N -1.254 117.920 119.300 -0.209 0.000 3.311 135 C HA 0.928 5.389 4.460 0.001 0.000 0.366 135 C C -1.383 173.715 174.990 0.179 0.000 1.694 135 C CA -1.472 57.532 59.018 -0.024 0.000 1.244 135 C CB 1.010 28.685 27.740 -0.108 0.000 2.038 135 C HN 1.010 nan 8.230 nan 0.000 0.436 136 F N 0.507 120.510 119.950 0.089 0.000 2.630 136 F HA 0.623 5.151 4.527 0.001 0.000 0.325 136 F C -0.209 175.741 175.800 0.249 0.000 1.184 136 F CA 0.130 58.246 58.000 0.194 0.000 1.011 136 F CB 1.268 40.408 39.000 0.233 0.000 1.268 136 F HN 1.153 nan 8.300 nan 0.000 0.480 137 G N 5.889 114.614 108.800 -0.124 0.000 2.603 137 G HA2 0.471 4.432 3.960 0.001 0.000 0.324 137 G HA3 0.471 4.432 3.960 0.001 0.000 0.324 137 G C -0.706 174.102 174.900 -0.153 0.000 1.178 137 G CA -0.318 44.744 45.100 -0.063 0.000 1.023 137 G HN 0.757 nan 8.290 nan 0.000 0.482 138 L N 2.557 123.691 121.223 -0.149 0.000 2.663 138 L HA 0.380 4.720 4.340 0.001 0.000 0.218 138 L C 1.415 178.328 176.870 0.071 0.000 1.043 138 L CA 1.014 55.830 54.840 -0.040 0.000 0.876 138 L CB 0.359 42.352 42.059 -0.109 0.000 1.263 138 L HN 0.445 nan 8.230 nan 0.000 0.486 139 T N -0.768 113.863 114.554 0.129 0.000 2.799 139 T HA 0.568 4.919 4.350 0.001 0.000 0.286 139 T C -0.198 174.576 174.700 0.123 0.000 0.973 139 T CA -0.535 61.642 62.100 0.130 0.000 1.035 139 T CB 1.255 70.207 68.868 0.141 0.000 0.932 139 T HN 0.274 nan 8.240 nan 0.000 0.469 140 E N 2.642 122.899 120.200 0.094 0.000 2.221 140 E HA 0.511 4.861 4.350 0.001 0.000 0.268 140 E C -1.898 174.756 176.600 0.091 0.000 0.933 140 E CA -2.101 54.346 56.400 0.079 0.000 0.809 140 E CB 0.659 30.390 29.700 0.050 0.000 1.190 140 E HN 0.559 nan 8.360 nan 0.000 0.406 149 S N 1.933 117.631 115.700 -0.003 0.000 2.506 149 S HA 0.374 4.845 4.470 0.001 0.000 0.245 149 S C 0.520 175.124 174.600 0.007 0.000 1.088 149 S CA -0.311 57.889 58.200 -0.000 0.000 1.099 149 S CB -0.285 62.914 63.200 -0.001 0.000 0.805 149 S HN 0.604 nan 8.310 nan 0.000 0.461 150 M N -1.170 118.436 119.600 0.010 0.000 2.255 150 M HA 0.499 4.979 4.480 0.001 0.000 0.336 150 M C 0.453 176.762 176.300 0.016 0.000 1.135 150 M CA -0.121 55.191 55.300 0.019 0.000 1.145 150 M CB 0.720 33.338 32.600 0.030 0.000 1.473 150 M HN -0.099 nan 8.290 nan 0.000 0.462 151 V N 0.596 120.519 119.914 0.015 0.000 3.635 151 V HA 0.073 4.194 4.120 0.001 0.000 0.266 151 V C 0.538 176.633 176.094 0.002 0.000 1.316 151 V CA 0.524 62.829 62.300 0.008 0.000 1.060 151 V CB 0.918 32.745 31.823 0.005 0.000 0.820 151 V HN 1.069 nan 8.190 nan 0.000 0.447 152 T N 2.317 116.875 114.554 0.005 0.000 2.928 152 T HA 0.277 4.628 4.350 0.001 0.000 0.305 152 T C -0.029 174.662 174.700 -0.015 0.000 1.035 152 T CA 0.489 62.583 62.100 -0.010 0.000 1.145 152 T CB 0.571 69.436 68.868 -0.005 0.000 0.963 152 T HN 0.350 nan 8.240 nan 0.000 0.545 153 R N 1.455 121.927 120.500 -0.047 0.000 2.621 153 R HA 0.634 4.975 4.340 0.001 0.000 0.284 153 R C -1.494 174.742 176.300 -0.106 0.000 0.998 153 R CA -0.553 55.519 56.100 -0.047 0.000 0.895 153 R CB 1.259 31.544 30.300 -0.024 0.000 1.195 153 R HN 0.666 nan 8.270 nan 0.000 0.450 154 A N 4.895 127.653 122.820 -0.104 0.000 2.258 154 A HA 0.588 4.908 4.320 0.001 0.000 0.316 154 A C -0.659 176.933 177.584 0.014 0.000 1.279 154 A CA -0.857 51.089 52.037 -0.151 0.000 0.876 154 A CB 0.540 19.347 19.000 -0.321 0.000 1.170 154 A HN 0.579 nan 8.150 nan 0.000 0.520 155 R N 1.941 122.455 120.500 0.024 0.000 2.357 155 R HA 0.220 4.561 4.340 0.001 0.000 0.296 155 R C -0.105 176.274 176.300 0.131 0.000 1.052 155 R CA -0.389 55.749 56.100 0.064 0.000 0.988 155 R CB 1.003 31.318 30.300 0.026 0.000 1.025 155 R HN 0.767 nan 8.270 nan 0.000 0.469 156 K N 2.567 123.048 120.400 0.135 0.000 2.349 156 K HA 0.211 4.531 4.320 0.001 0.000 0.288 156 K C -0.021 176.560 176.600 -0.031 0.000 1.058 156 K CA -0.356 55.962 56.287 0.052 0.000 0.953 156 K CB 0.495 33.039 32.500 0.075 0.000 0.997 156 K HN 0.485 nan 8.250 nan 0.000 0.477 157 V N 1.258 121.115 119.914 -0.094 0.000 3.156 157 V HA 0.604 4.725 4.120 0.001 0.000 0.311 157 V C -2.688 173.373 176.094 -0.055 0.000 1.208 157 V CA -2.699 59.576 62.300 -0.041 0.000 1.063 157 V CB 1.171 33.001 31.823 0.012 0.000 1.098 157 V HN 0.644 nan 8.190 nan 0.000 0.452 158 P HA 0.256 nan 4.420 nan 0.000 0.255 158 P C 0.889 178.212 177.300 0.039 0.000 1.173 158 P CA 2.138 65.226 63.100 -0.019 0.000 0.780 158 P CB 0.003 31.678 31.700 -0.041 0.000 0.758 159 G N 2.208 111.020 108.800 0.018 0.000 2.199 159 G HA2 -0.044 3.917 3.960 0.001 0.000 0.254 159 G HA3 -0.044 3.917 3.960 0.001 0.000 0.254 159 G C 0.509 175.423 174.900 0.023 0.000 0.982 159 G CA 0.188 45.336 45.100 0.080 0.000 0.632 159 G HN 0.970 nan 8.290 nan 0.000 0.529 160 G N -1.419 107.290 108.800 -0.151 0.000 2.520 160 G HA2 0.532 4.492 3.960 0.001 0.000 0.067 160 G HA3 0.532 4.492 3.960 0.001 0.000 0.067 160 G C -1.082 173.313 174.900 -0.841 0.000 0.977 160 G CA 0.183 44.958 45.100 -0.541 0.000 1.152 160 G HN 0.929 nan 8.290 nan 0.000 0.479 161 Y N -0.186 120.069 120.300 -0.076 0.000 2.553 161 Y HA 0.785 5.335 4.550 0.001 0.000 0.347 161 Y C 0.140 175.981 175.900 -0.099 0.000 1.019 161 Y CA -0.638 57.408 58.100 -0.090 0.000 1.032 161 Y CB 2.537 40.900 38.460 -0.162 0.000 1.284 161 Y HN 0.534 nan 8.280 nan 0.000 0.466 162 S N 2.099 117.834 115.700 0.058 0.000 2.498 162 S HA 0.714 5.185 4.470 0.001 0.000 0.317 162 S C -1.582 172.958 174.600 -0.100 0.000 1.090 162 S CA -0.407 57.796 58.200 0.006 0.000 1.089 162 S CB 0.153 63.375 63.200 0.038 0.000 0.997 162 S HN 0.520 nan 8.310 nan 0.000 0.470 163 L N 4.124 125.247 121.223 -0.168 0.000 2.329 163 L HA 0.655 4.996 4.340 0.001 0.000 0.279 163 L C -0.506 176.274 176.870 -0.151 0.000 1.014 163 L CA 0.107 54.805 54.840 -0.236 0.000 0.814 163 L CB 2.162 43.989 42.059 -0.387 0.000 1.257 163 L HN 0.686 nan 8.230 nan 0.000 0.424 164 S N 1.605 117.231 115.700 -0.124 0.000 2.619 164 S HA 0.945 5.416 4.470 0.001 0.000 0.280 164 S C -0.284 174.275 174.600 -0.069 0.000 1.150 164 S CA -0.435 57.715 58.200 -0.083 0.000 0.978 164 S CB 1.797 64.961 63.200 -0.059 0.000 1.041 164 S HN 1.067 nan 8.310 nan 0.000 0.485 165 G N 0.961 109.725 108.800 -0.060 0.000 2.369 165 G HA2 0.422 4.383 3.960 0.001 0.000 0.293 165 G HA3 0.422 4.383 3.960 0.001 0.000 0.293 165 G C -1.579 173.296 174.900 -0.042 0.000 1.301 165 G CA -0.579 44.496 45.100 -0.043 0.000 0.913 165 G HN 0.800 nan 8.290 nan 0.000 0.540 166 S N -0.391 115.294 115.700 -0.025 0.000 2.571 166 S HA 0.694 5.165 4.470 0.001 0.000 0.284 166 S C -0.785 173.814 174.600 -0.002 0.000 1.128 166 S CA -0.749 57.437 58.200 -0.023 0.000 0.970 166 S CB 1.201 64.385 63.200 -0.027 0.000 1.039 166 S HN 0.590 nan 8.310 nan 0.000 0.485 167 K N 2.643 123.048 120.400 0.008 0.000 2.207 167 K HA 0.564 4.884 4.320 0.001 0.000 0.255 167 K C -0.670 175.949 176.600 0.031 0.000 0.941 167 K CA -0.737 55.576 56.287 0.042 0.000 0.825 167 K CB 1.824 34.361 32.500 0.062 0.000 1.119 167 K HN 0.584 nan 8.250 nan 0.000 0.430 168 M N 0.471 120.105 119.600 0.057 0.000 2.662 168 M HA 0.326 4.807 4.480 0.001 0.000 0.310 168 M C -1.263 175.110 176.300 0.122 0.000 1.204 168 M CA 0.055 55.321 55.300 -0.057 0.000 0.891 168 M CB 1.016 33.538 32.600 -0.130 0.000 1.732 168 M HN 0.599 nan 8.290 nan 0.000 0.467 169 W N 3.635 125.008 121.300 0.121 0.000 5.721 169 W HA -0.157 4.503 4.660 0.001 0.000 0.406 169 W C -0.971 175.693 176.519 0.240 0.000 1.576 169 W CA -0.241 57.213 57.345 0.182 0.000 0.977 169 W CB -1.762 27.827 29.460 0.215 0.000 2.771 169 W HN 0.297 nan 8.180 nan 0.000 1.435 170 I N 1.495 122.245 120.570 0.300 0.000 2.361 170 I HA 0.114 4.285 4.170 0.001 0.000 0.282 170 I C 1.229 177.478 176.117 0.220 0.000 1.075 170 I CA -0.398 61.071 61.300 0.281 0.000 1.205 170 I CB -0.087 38.044 38.000 0.219 0.000 1.406 170 I HN 0.054 nan 8.210 nan 0.000 0.481 171 T N 5.142 119.837 114.554 0.235 0.000 2.908 171 T HA 0.024 4.375 4.350 0.001 0.000 0.301 171 T C 1.106 175.894 174.700 0.147 0.000 1.019 171 T CA 0.756 62.963 62.100 0.178 0.000 1.152 171 T CB 0.204 69.165 68.868 0.156 0.000 0.966 171 T HN 0.700 nan 8.240 nan 0.000 0.540 172 N N 1.095 119.873 118.700 0.130 0.000 2.941 172 N HA -0.238 4.502 4.740 0.001 0.000 0.201 172 N C 1.445 176.944 175.510 -0.018 0.000 0.944 172 N CA 1.876 54.972 53.050 0.076 0.000 1.027 172 N CB -2.012 36.501 38.487 0.043 0.000 0.992 172 N HN 0.842 nan 8.380 nan 0.000 0.585 173 S N 0.587 116.296 115.700 0.014 0.000 2.365 173 S HA -0.058 4.412 4.470 0.001 0.000 0.225 173 S C -0.922 173.709 174.600 0.051 0.000 1.039 173 S CA 1.714 59.919 58.200 0.008 0.000 1.033 173 S CB -1.131 62.148 63.200 0.131 0.000 0.887 173 S HN 0.262 nan 8.310 nan 0.000 0.447 174 P HA 0.129 nan 4.420 nan 0.000 0.234 174 P C 0.954 178.291 177.300 0.061 0.000 1.167 174 P CA 0.794 63.937 63.100 0.072 0.000 0.763 174 P CB -0.346 31.385 31.700 0.051 0.000 0.835 175 I N -7.065 113.516 120.570 0.018 0.000 3.994 175 I HA 0.513 4.683 4.170 0.001 0.000 0.323 175 I C 0.167 176.224 176.117 -0.099 0.000 1.501 175 I CA -0.915 60.384 61.300 -0.002 0.000 1.112 175 I CB 0.343 38.364 38.000 0.034 0.000 1.254 175 I HN -0.319 nan 8.210 nan 0.000 0.495 176 A N 0.962 123.669 122.820 -0.189 0.000 2.354 176 A HA 0.403 4.724 4.320 0.001 0.000 0.269 176 A C 0.408 177.810 177.584 -0.304 0.000 1.109 176 A CA -0.258 51.535 52.037 -0.407 0.000 0.800 176 A CB 0.396 18.910 19.000 -0.810 0.000 1.045 176 A HN 0.356 nan 8.150 nan 0.000 0.489 177 D N 0.529 120.754 120.400 -0.291 0.000 2.301 177 D HA 0.120 4.761 4.640 0.001 0.000 0.206 177 D C -0.132 176.003 176.300 -0.274 0.000 0.979 177 D CA 1.130 54.974 54.000 -0.261 0.000 0.874 177 D CB 0.547 41.123 40.800 -0.373 0.000 0.968 177 D HN 0.220 nan 8.370 nan 0.000 0.510 178 V N 1.095 120.817 119.914 -0.319 0.000 2.638 178 V HA 0.359 4.480 4.120 0.001 0.000 0.306 178 V C -1.072 174.868 176.094 -0.258 0.000 1.052 178 V CA -0.726 61.457 62.300 -0.194 0.000 0.885 178 V CB 2.142 33.876 31.823 -0.148 0.000 0.999 178 V HN -0.135 nan 8.190 nan 0.000 0.424 179 F N 3.139 122.998 119.950 -0.152 0.000 2.529 179 F HA 0.631 5.159 4.527 0.001 0.000 0.320 179 F C -0.110 175.608 175.800 -0.136 0.000 1.118 179 F CA -1.000 56.939 58.000 -0.101 0.000 0.915 179 F CB 2.255 41.196 39.000 -0.099 0.000 1.161 179 F HN 0.157 nan 8.300 nan 0.000 0.445 180 V N 4.916 124.868 119.914 0.063 0.000 2.313 180 V HA 0.394 4.515 4.120 0.001 0.000 0.278 180 V C -0.412 175.542 176.094 -0.235 0.000 1.017 180 V CA -0.635 61.608 62.300 -0.096 0.000 0.823 180 V CB 1.235 33.063 31.823 0.008 0.000 1.010 180 V HN 0.507 nan 8.190 nan 0.000 0.443 181 V N 4.261 123.990 119.914 -0.307 0.000 2.547 181 V HA 0.499 4.620 4.120 0.001 0.000 0.299 181 V C -0.883 174.962 176.094 -0.415 0.000 1.040 181 V CA -0.744 61.405 62.300 -0.253 0.000 0.913 181 V CB 2.014 33.776 31.823 -0.103 0.000 0.992 181 V HN 0.889 nan 8.190 nan 0.000 0.449 182 W N 3.310 124.576 121.300 -0.055 0.000 2.329 182 W HA 0.776 5.436 4.660 0.001 0.000 0.312 182 W C 0.107 176.639 176.519 0.021 0.000 1.054 182 W CA -0.207 57.127 57.345 -0.017 0.000 1.245 182 W CB 1.464 30.862 29.460 -0.102 0.000 1.255 182 W HN 0.690 nan 8.180 nan 0.000 0.436 183 A N 2.961 125.955 122.820 0.290 0.000 2.423 183 A HA 0.761 5.081 4.320 0.001 0.000 0.304 183 A C -0.832 176.864 177.584 0.186 0.000 1.104 183 A CA -1.176 50.961 52.037 0.167 0.000 0.757 183 A CB 1.389 20.390 19.000 0.003 0.000 1.313 183 A HN 0.540 nan 8.150 nan 0.000 0.423 184 K N 0.077 120.534 120.400 0.095 0.000 2.205 184 K HA 0.486 4.807 4.320 0.001 0.000 0.279 184 K C -1.325 175.319 176.600 0.073 0.000 1.027 184 K CA -0.312 56.019 56.287 0.072 0.000 0.932 184 K CB 1.180 33.701 32.500 0.036 0.000 1.032 184 K HN 0.471 nan 8.250 nan 0.000 0.466 185 L N 2.661 123.928 121.223 0.074 0.000 2.385 185 L HA 0.321 4.662 4.340 0.001 0.000 0.273 185 L C -1.041 175.863 176.870 0.057 0.000 0.990 185 L CA -0.495 54.394 54.840 0.081 0.000 0.821 185 L CB 1.676 43.801 42.059 0.110 0.000 1.279 185 L HN 0.475 nan 8.230 nan 0.000 0.412 186 D N 2.731 123.166 120.400 0.059 0.000 2.351 186 D HA 0.318 4.959 4.640 0.001 0.000 0.251 186 D C -0.908 175.423 176.300 0.052 0.000 1.137 186 D CA 0.464 54.491 54.000 0.045 0.000 0.879 186 D CB 0.911 41.733 40.800 0.037 0.000 1.181 186 D HN 0.534 nan 8.370 nan 0.000 0.448 187 E N 2.185 122.407 120.200 0.036 0.000 2.460 187 E HA 0.234 4.584 4.350 0.001 0.000 0.249 187 E C -1.367 175.247 176.600 0.023 0.000 0.962 187 E CA -0.666 55.755 56.400 0.034 0.000 0.787 187 E CB 0.201 29.917 29.700 0.028 0.000 1.341 187 E HN 0.392 nan 8.360 nan 0.000 0.407 188 D N 3.688 124.102 120.400 0.024 0.000 2.740 188 D HA -0.213 4.428 4.640 0.001 0.000 0.231 188 D C 0.975 177.282 176.300 0.013 0.000 1.194 188 D CA 1.703 55.713 54.000 0.017 0.000 0.673 188 D CB -1.199 39.610 40.800 0.015 0.000 0.995 188 D HN 0.843 nan 8.370 nan 0.000 0.411 189 G N -0.157 108.651 108.800 0.013 0.000 2.640 189 G HA2 -0.433 3.528 3.960 0.001 0.000 0.226 189 G HA3 -0.433 3.528 3.960 0.001 0.000 0.226 189 G C 0.518 175.423 174.900 0.009 0.000 1.222 189 G CA 0.148 45.254 45.100 0.010 0.000 0.729 189 G HN 0.716 nan 8.290 nan 0.000 0.516 190 R N 1.806 122.311 120.500 0.008 0.000 2.442 190 R HA 0.409 4.750 4.340 0.001 0.000 0.291 190 R C -1.348 174.956 176.300 0.007 0.000 1.069 190 R CA -0.051 56.052 56.100 0.005 0.000 1.022 190 R CB 0.228 30.529 30.300 0.002 0.000 0.976 190 R HN 0.180 nan 8.270 nan 0.000 0.443 191 D N 3.096 123.498 120.400 0.003 0.000 2.329 191 D HA 0.249 4.890 4.640 0.001 0.000 0.232 191 D C -0.885 175.412 176.300 -0.004 0.000 1.088 191 D CA 0.031 54.034 54.000 0.005 0.000 0.835 191 D CB 1.076 41.878 40.800 0.004 0.000 1.078 191 D HN 0.365 nan 8.370 nan 0.000 0.495 192 E N 1.897 122.097 120.200 -0.000 0.000 2.343 192 E HA 0.360 4.711 4.350 0.001 0.000 0.270 192 E C -0.355 176.243 176.600 -0.003 0.000 0.895 192 E CA -0.873 55.518 56.400 -0.016 0.000 0.767 192 E CB 2.184 31.865 29.700 -0.031 0.000 1.248 192 E HN 0.384 nan 8.360 nan 0.000 0.440 193 I N 3.142 123.703 120.570 -0.015 0.000 2.517 193 I HA 0.085 4.255 4.170 0.001 0.000 0.285 193 I C 0.560 176.701 176.117 0.040 0.000 1.106 193 I CA 0.181 61.499 61.300 0.031 0.000 1.402 193 I CB 0.144 38.133 38.000 -0.018 0.000 1.399 193 I HN -0.017 nan 8.210 nan 0.000 0.535 194 R N 4.533 125.063 120.500 0.050 0.000 2.854 194 R HA 0.663 5.004 4.340 0.001 0.000 0.271 194 R C -0.174 175.945 176.300 -0.302 0.000 0.996 194 R CA -1.004 54.986 56.100 -0.183 0.000 0.961 194 R CB 1.758 31.761 30.300 -0.495 0.000 1.182 194 R HN 0.702 nan 8.270 nan 0.000 0.479 195 G N 0.996 109.379 108.800 -0.695 0.000 2.371 195 G HA2 0.650 4.610 3.960 0.001 0.000 0.326 195 G HA3 0.650 4.610 3.960 0.001 0.000 0.326 195 G C -1.151 173.048 174.900 -1.167 0.000 1.127 195 G CA -0.308 44.062 45.100 -1.216 0.000 0.885 195 G HN 0.266 nan 8.290 nan 0.000 0.477 196 F N 0.600 120.179 119.950 -0.618 0.000 2.540 196 F HA 0.475 5.003 4.527 0.001 0.000 0.317 196 F C 0.318 175.894 175.800 -0.375 0.000 1.104 196 F CA -0.797 56.950 58.000 -0.422 0.000 0.913 196 F CB 2.254 41.044 39.000 -0.350 0.000 1.170 196 F HN 0.187 nan 8.300 nan 0.000 0.450 197 I N 4.141 124.617 120.570 -0.156 0.000 2.428 197 I HA 0.370 4.541 4.170 0.001 0.000 0.289 197 I C -0.767 175.280 176.117 -0.118 0.000 1.019 197 I CA -0.362 60.813 61.300 -0.208 0.000 1.351 197 I CB 1.013 38.776 38.000 -0.395 0.000 1.412 197 I HN 0.373 nan 8.210 nan 0.000 0.513 198 L N 5.943 127.119 121.223 -0.079 0.000 2.350 198 L HA 0.509 4.850 4.340 0.001 0.000 0.260 198 L C -0.373 176.508 176.870 0.018 0.000 1.015 198 L CA -0.435 54.367 54.840 -0.065 0.000 0.821 198 L CB 1.987 43.956 42.059 -0.150 0.000 1.370 198 L HN 0.500 nan 8.230 nan 0.000 0.416 199 E N 0.265 120.452 120.200 -0.021 0.000 2.249 199 E HA 0.365 4.716 4.350 0.001 0.000 0.263 199 E C -1.080 175.520 176.600 0.001 0.000 0.950 199 E CA -1.056 55.345 56.400 0.001 0.000 0.827 199 E CB 1.830 31.495 29.700 -0.058 0.000 1.220 199 E HN 0.351 nan 8.360 nan 0.000 0.411 200 K N 0.362 120.802 120.400 0.067 0.000 2.448 200 K HA 0.106 4.427 4.320 0.001 0.000 0.278 200 K C 0.678 177.274 176.600 -0.006 0.000 1.009 200 K CA 1.152 57.498 56.287 0.098 0.000 0.995 200 K CB 0.139 32.702 32.500 0.105 0.000 0.917 200 K HN 0.690 nan 8.250 nan 0.000 0.481 201 G N 2.775 111.553 108.800 -0.036 0.000 2.284 201 G HA2 -0.349 3.612 3.960 0.001 0.000 0.247 201 G HA3 -0.349 3.612 3.960 0.001 0.000 0.247 201 G C 0.422 175.300 174.900 -0.036 0.000 1.012 201 G CA 0.146 45.230 45.100 -0.028 0.000 0.618 201 G HN 1.007 nan 8.290 nan 0.000 0.521 202 C N 2.403 121.677 119.300 -0.043 0.000 2.596 202 C HA 0.543 5.004 4.460 0.001 0.000 0.414 202 C C 1.203 176.168 174.990 -0.041 0.000 1.396 202 C CA -0.552 58.452 59.018 -0.024 0.000 1.698 202 C CB -0.619 27.116 27.740 -0.009 0.000 2.572 202 C HN 0.536 nan 8.230 nan 0.000 0.604 203 K N 3.886 124.276 120.400 -0.017 0.000 2.484 203 K HA 0.417 4.737 4.320 0.001 0.000 0.280 203 K C 1.306 177.884 176.600 -0.036 0.000 1.013 203 K CA 1.440 57.711 56.287 -0.027 0.000 1.029 203 K CB 0.129 32.618 32.500 -0.019 0.000 0.902 203 K HN 1.283 nan 8.250 nan 0.000 0.481 204 G N 1.734 110.499 108.800 -0.058 0.000 2.284 204 G HA2 -0.204 3.757 3.960 0.001 0.000 0.201 204 G HA3 -0.204 3.757 3.960 0.001 0.000 0.201 204 G C -0.712 174.122 174.900 -0.110 0.000 0.998 204 G CA -0.358 44.700 45.100 -0.069 0.000 0.651 204 G HN 0.442 nan 8.290 nan 0.000 0.489 205 L N 2.387 123.521 121.223 -0.148 0.000 2.309 205 L HA 0.892 5.232 4.340 0.001 0.000 0.282 205 L C -0.231 176.532 176.870 -0.178 0.000 1.036 205 L CA -0.479 54.224 54.840 -0.228 0.000 0.806 205 L CB 2.033 43.863 42.059 -0.381 0.000 1.220 205 L HN 0.135 nan 8.230 nan 0.000 0.429 206 S N 3.225 118.833 115.700 -0.154 0.000 2.548 206 S HA 0.823 5.294 4.470 0.001 0.000 0.286 206 S C -0.056 174.521 174.600 -0.037 0.000 1.098 206 S CA -0.130 58.022 58.200 -0.080 0.000 0.930 206 S CB 1.839 65.007 63.200 -0.053 0.000 1.070 206 S HN 0.802 nan 8.310 nan 0.000 0.480 207 A N 1.984 124.819 122.820 0.025 0.000 2.643 207 A HA 0.426 4.747 4.320 0.001 0.000 0.295 207 A C -2.633 174.985 177.584 0.056 0.000 1.065 207 A CA -1.105 50.989 52.037 0.095 0.000 0.986 207 A CB -0.248 18.869 19.000 0.195 0.000 1.212 207 A HN 0.526 nan 8.150 nan 0.000 0.516 208 P HA 0.218 nan 4.420 nan 0.000 0.262 208 P C 0.430 177.726 177.300 -0.006 0.000 1.199 208 P CA 0.650 63.758 63.100 0.014 0.000 0.763 208 P CB 0.765 32.463 31.700 -0.003 0.000 0.790 209 A N 4.831 127.657 122.820 0.009 0.000 2.475 209 A HA 0.229 4.549 4.320 0.001 0.000 0.239 209 A C 0.410 177.922 177.584 -0.121 0.000 1.087 209 A CA -0.028 51.969 52.037 -0.066 0.000 0.779 209 A CB -0.274 18.674 19.000 -0.087 0.000 1.036 209 A HN 0.560 nan 8.150 nan 0.000 0.506 210 I N 0.301 120.735 120.570 -0.226 0.000 2.404 210 I HA 0.379 4.550 4.170 0.001 0.000 0.293 210 I C -0.252 175.689 176.117 -0.294 0.000 0.992 210 I CA -0.129 61.049 61.300 -0.202 0.000 1.149 210 I CB 1.587 39.440 38.000 -0.245 0.000 1.315 210 I HN 0.763 nan 8.210 nan 0.000 0.446 211 H N 2.533 121.606 119.070 0.006 0.000 2.670 211 H HA 0.565 5.121 4.556 0.001 0.000 0.361 211 H C 0.519 175.865 175.328 0.031 0.000 1.169 211 H CA -0.016 56.044 56.048 0.020 0.000 1.198 211 H CB 1.974 31.744 29.762 0.013 0.000 1.700 211 H HN 0.772 nan 8.280 nan 0.000 0.542 212 G N 1.663 110.560 108.800 0.161 0.000 2.225 212 G HA2 -0.284 3.676 3.960 0.001 0.000 0.264 212 G HA3 -0.284 3.676 3.960 0.001 0.000 0.264 212 G C -0.237 174.703 174.900 0.066 0.000 1.060 212 G CA -0.119 45.032 45.100 0.084 0.000 0.833 212 G HN 0.487 nan 8.290 nan 0.000 0.498 213 K N -0.708 119.724 120.400 0.053 0.000 2.319 213 K HA 0.387 4.708 4.320 0.001 0.000 0.265 213 K C 1.642 178.244 176.600 0.003 0.000 1.000 213 K CA -0.099 56.232 56.287 0.074 0.000 0.943 213 K CB 1.363 33.913 32.500 0.082 0.000 0.950 213 K HN 0.032 nan 8.250 nan 0.000 0.485 214 V N 0.995 120.927 119.914 0.030 0.000 2.535 214 V HA -0.002 4.119 4.120 0.001 0.000 0.246 214 V C 1.032 177.147 176.094 0.035 0.000 1.045 214 V CA 1.436 63.749 62.300 0.021 0.000 1.058 214 V CB -0.092 31.755 31.823 0.040 0.000 0.689 214 V HN 0.944 nan 8.190 nan 0.000 0.461 215 G N -1.976 106.854 108.800 0.050 0.000 2.798 215 G HA2 0.544 4.505 3.960 0.001 0.000 0.286 215 G HA3 0.544 4.505 3.960 0.001 0.000 0.286 215 G C -0.386 174.566 174.900 0.087 0.000 1.389 215 G CA -0.806 44.368 45.100 0.124 0.000 0.894 215 G HN 0.149 nan 8.290 nan 0.000 0.488 216 L N -0.854 120.455 121.223 0.143 0.000 3.737 216 L HA -0.235 4.105 4.340 0.001 0.000 0.418 216 L C 2.088 178.973 176.870 0.024 0.000 1.216 216 L CA 0.183 55.075 54.840 0.087 0.000 0.915 216 L CB -0.966 41.131 42.059 0.063 0.000 1.834 216 L HN 0.654 nan 8.230 nan 0.000 0.943 217 R N 0.453 120.907 120.500 -0.076 0.000 2.189 217 R HA 0.002 4.343 4.340 0.001 0.000 0.223 217 R C 2.076 178.302 176.300 -0.124 0.000 1.092 217 R CA 1.217 57.172 56.100 -0.242 0.000 0.989 217 R CB -0.067 29.780 30.300 -0.755 0.000 0.876 217 R HN 0.572 nan 8.270 nan 0.000 0.457 218 A N 0.611 123.405 122.820 -0.045 0.000 2.238 218 A HA 0.030 4.351 4.320 0.001 0.000 0.208 218 A C 0.674 178.235 177.584 -0.039 0.000 1.177 218 A CA 0.177 52.173 52.037 -0.068 0.000 0.804 218 A CB 0.175 19.029 19.000 -0.242 0.000 0.823 218 A HN 0.148 nan 8.150 nan 0.000 0.482 219 S N -0.098 115.605 115.700 0.005 0.000 2.519 219 S HA 0.544 5.015 4.470 0.001 0.000 0.309 219 S C -0.612 174.035 174.600 0.078 0.000 1.100 219 S CA -0.701 57.543 58.200 0.072 0.000 1.059 219 S CB 0.674 63.919 63.200 0.074 0.000 1.008 219 S HN 0.409 nan 8.310 nan 0.000 0.478 220 I N 5.127 125.761 120.570 0.106 0.000 2.533 220 I HA 0.421 4.592 4.170 0.001 0.000 0.284 220 I C -0.183 175.978 176.117 0.075 0.000 1.109 220 I CA 1.090 62.432 61.300 0.070 0.000 1.412 220 I CB 0.743 38.795 38.000 0.087 0.000 1.396 220 I HN 0.721 nan 8.210 nan 0.000 0.543 221 T N 5.894 120.467 114.554 0.032 0.000 2.893 221 T HA 0.848 5.199 4.350 0.001 0.000 0.293 221 T C -0.122 174.577 174.700 -0.002 0.000 1.027 221 T CA -0.397 61.746 62.100 0.071 0.000 0.988 221 T CB 1.594 70.557 68.868 0.159 0.000 1.043 221 T HN 0.880 nan 8.240 nan 0.000 0.461 222 G N 1.145 109.955 108.800 0.017 0.000 2.827 222 G HA2 0.684 4.645 3.960 0.001 0.000 0.296 222 G HA3 0.684 4.645 3.960 0.001 0.000 0.296 222 G C -1.316 173.550 174.900 -0.057 0.000 1.362 222 G CA -0.868 44.205 45.100 -0.044 0.000 0.809 222 G HN 0.632 nan 8.290 nan 0.000 0.522 223 E N -1.205 118.949 120.200 -0.076 0.000 2.330 223 E HA 0.621 4.972 4.350 0.001 0.000 0.256 223 E C -0.791 175.829 176.600 0.033 0.000 1.146 223 E CA -0.561 55.802 56.400 -0.061 0.000 0.945 223 E CB 1.897 31.536 29.700 -0.101 0.000 1.182 223 E HN 0.247 nan 8.360 nan 0.000 0.480 224 I N 0.855 121.445 120.570 0.035 0.000 2.498 224 I HA 0.246 4.416 4.170 0.001 0.000 0.290 224 I C -1.182 174.919 176.117 -0.025 0.000 1.032 224 I CA -0.876 60.449 61.300 0.041 0.000 1.073 224 I CB 2.077 40.131 38.000 0.089 0.000 1.251 224 I HN 0.138 nan 8.210 nan 0.000 0.426 225 V N 7.450 127.327 119.914 -0.061 0.000 2.376 225 V HA 0.394 4.515 4.120 0.001 0.000 0.287 225 V C -0.254 175.779 176.094 -0.101 0.000 1.015 225 V CA -0.425 61.833 62.300 -0.070 0.000 0.834 225 V CB 1.623 33.411 31.823 -0.057 0.000 1.001 225 V HN 0.452 nan 8.190 nan 0.000 0.428 226 L N 4.465 125.630 121.223 -0.097 0.000 2.262 226 L HA 0.535 4.875 4.340 0.001 0.000 0.288 226 L C -0.452 176.367 176.870 -0.084 0.000 1.035 226 L CA -0.250 54.523 54.840 -0.112 0.000 0.820 226 L CB 1.236 43.217 42.059 -0.130 0.000 1.204 226 L HN 0.515 nan 8.230 nan 0.000 0.424 227 D N 4.795 125.148 120.400 -0.077 0.000 2.472 227 D HA 0.140 4.780 4.640 0.001 0.000 0.234 227 D C 0.166 176.433 176.300 -0.053 0.000 1.088 227 D CA -0.135 53.830 54.000 -0.058 0.000 0.882 227 D CB 0.572 41.343 40.800 -0.048 0.000 1.037 227 D HN 0.447 nan 8.370 nan 0.000 0.520 228 E N 0.590 120.760 120.200 -0.051 0.000 2.539 228 E HA -0.234 4.117 4.350 0.001 0.000 0.253 228 E C -0.360 176.228 176.600 -0.020 0.000 1.145 228 E CA 0.747 57.126 56.400 -0.034 0.000 0.738 228 E CB -2.065 27.620 29.700 -0.024 0.000 1.308 228 E HN 0.514 nan 8.360 nan 0.000 0.409 229 A N 0.723 123.511 122.820 -0.053 0.000 2.520 229 A HA 0.319 4.640 4.320 0.001 0.000 0.245 229 A C -0.019 177.566 177.584 0.001 0.000 1.072 229 A CA -0.086 51.923 52.037 -0.047 0.000 0.761 229 A CB -0.015 18.911 19.000 -0.125 0.000 1.004 229 A HN 0.275 nan 8.150 nan 0.000 0.499 230 F N 4.186 124.079 119.950 -0.096 0.000 2.424 230 F HA 0.510 5.038 4.527 0.001 0.000 0.356 230 F C -0.344 175.425 175.800 -0.052 0.000 1.110 230 F CA -0.488 57.470 58.000 -0.069 0.000 1.161 230 F CB 0.993 39.961 39.000 -0.055 0.000 1.115 230 F HN 0.296 nan 8.300 nan 0.000 0.507 231 V N 8.498 127.999 119.914 -0.687 0.000 2.448 231 V HA 0.402 4.522 4.120 0.001 0.000 0.295 231 V C -2.065 173.485 176.094 -0.906 0.000 1.025 231 V CA -1.977 59.957 62.300 -0.609 0.000 0.859 231 V CB 1.314 33.011 31.823 -0.210 0.000 0.988 231 V HN 0.651 nan 8.190 nan 0.000 0.431 232 P HA 0.115 nan 4.420 nan 0.000 0.270 232 P C 0.752 178.014 177.300 -0.065 0.000 1.223 232 P CA -0.041 62.821 63.100 -0.397 0.000 0.785 232 P CB 1.116 32.733 31.700 -0.138 0.000 0.923 233 E N 1.622 121.820 120.200 -0.003 0.000 2.070 233 E HA -0.216 4.134 4.350 0.001 0.000 0.197 233 E C 1.560 178.225 176.600 0.109 0.000 1.004 233 E CA 1.513 57.977 56.400 0.108 0.000 0.805 233 E CB -0.267 29.455 29.700 0.038 0.000 0.744 233 E HN 0.603 nan 8.360 nan 0.000 0.451 234 E N 0.074 120.310 120.200 0.060 0.000 2.515 234 E HA -0.126 4.225 4.350 0.001 0.000 0.201 234 E C 0.809 177.440 176.600 0.052 0.000 1.071 234 E CA 0.574 57.005 56.400 0.052 0.000 0.880 234 E CB -0.535 29.199 29.700 0.056 0.000 0.828 234 E HN 0.328 nan 8.360 nan 0.000 0.540 235 N N 0.322 119.051 118.700 0.047 0.000 2.205 235 N HA 0.189 4.930 4.740 0.001 0.000 0.201 235 N C 0.059 175.547 175.510 -0.037 0.000 1.128 235 N CA -0.230 52.832 53.050 0.020 0.000 0.867 235 N CB 0.823 39.316 38.487 0.011 0.000 0.996 235 N HN 0.145 nan 8.380 nan 0.000 0.503 236 I N 2.052 122.588 120.570 -0.057 0.000 2.474 236 I HA 0.060 4.230 4.170 0.001 0.000 0.287 236 I C -0.498 175.426 176.117 -0.323 0.000 1.048 236 I CA -0.598 60.501 61.300 -0.334 0.000 1.383 236 I CB 0.787 38.520 38.000 -0.444 0.000 1.412 236 I HN -0.165 nan 8.210 nan 0.000 0.531 237 L N 10.848 131.809 121.223 -0.436 0.000 2.500 237 L HA 0.192 4.532 4.340 0.001 0.000 0.272 237 L C -1.471 175.229 176.870 -0.283 0.000 1.149 237 L CA -1.368 53.299 54.840 -0.288 0.000 0.897 237 L CB 0.016 41.911 42.059 -0.273 0.000 1.178 237 L HN 0.475 nan 8.230 nan 0.000 0.473 238 P HA -0.050 nan 4.420 nan 0.000 0.226 238 P C 0.421 177.523 177.300 -0.330 0.000 1.161 238 P CA 1.001 63.877 63.100 -0.374 0.000 0.804 238 P CB 0.198 31.578 31.700 -0.533 0.000 0.829 239 H N -1.048 118.042 119.070 0.033 0.000 2.550 239 H HA 0.476 5.032 4.556 0.001 0.000 0.304 239 H C -0.201 175.193 175.328 0.110 0.000 1.086 239 H CA -0.477 55.619 56.048 0.079 0.000 1.089 239 H CB 0.215 30.037 29.762 0.100 0.000 1.528 239 H HN -0.107 nan 8.280 nan 0.000 0.539 240 V N 1.303 121.239 119.914 0.036 0.000 3.098 240 V HA 0.357 4.478 4.120 0.001 0.000 0.294 240 V C -1.773 174.232 176.094 -0.149 0.000 1.351 240 V CA -0.862 61.362 62.300 -0.128 0.000 0.999 240 V CB 2.349 33.796 31.823 -0.626 0.000 1.104 240 V HN 0.514 nan 8.190 nan 0.000 0.438 241 K N 3.968 124.287 120.400 -0.137 0.000 2.556 241 K HA 0.918 5.239 4.320 0.001 0.000 0.274 241 K C 0.185 176.703 176.600 -0.136 0.000 0.966 241 K CA -0.104 56.111 56.287 -0.121 0.000 0.865 241 K CB 1.921 34.367 32.500 -0.091 0.000 1.444 241 K HN 1.997 nan 8.250 nan 0.000 0.433 242 G N 0.683 109.404 108.800 -0.131 0.000 2.512 242 G HA2 -0.284 3.677 3.960 0.001 0.000 0.254 242 G HA3 -0.284 3.677 3.960 0.001 0.000 0.254 242 G C 0.123 174.851 174.900 -0.287 0.000 1.199 242 G CA 0.089 45.086 45.100 -0.172 0.000 0.941 242 G HN 0.418 nan 8.290 nan 0.000 0.569 243 L N 0.915 121.926 121.223 -0.354 0.000 2.109 243 L HA 0.196 4.537 4.340 0.001 0.000 0.207 243 L C 3.006 179.575 176.870 -0.502 0.000 1.086 243 L CA 2.446 56.917 54.840 -0.614 0.000 0.760 243 L CB -1.091 40.521 42.059 -0.746 0.000 0.910 243 L HN 0.661 nan 8.230 nan 0.000 0.437 244 R N -0.558 119.777 120.500 -0.275 0.000 2.140 244 R HA -0.235 4.106 4.340 0.001 0.000 0.250 244 R C 2.120 178.300 176.300 -0.200 0.000 1.150 244 R CA 1.696 57.722 56.100 -0.123 0.000 0.966 244 R CB -0.689 29.573 30.300 -0.063 0.000 0.869 244 R HN 0.498 nan 8.270 nan 0.000 0.445 245 G N 0.601 109.087 108.800 -0.524 0.000 2.552 245 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 245 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 245 G C -1.060 173.430 174.900 -0.683 0.000 1.240 245 G CA 0.862 45.494 45.100 -0.780 0.000 0.796 245 G HN 0.336 nan 8.290 nan 0.000 0.568 246 P HA -0.065 nan 4.420 nan 0.000 0.215 246 P C 1.710 179.049 177.300 0.066 0.000 1.157 246 P CA 1.012 63.689 63.100 -0.704 0.000 0.868 246 P CB -0.195 31.115 31.700 -0.650 0.000 0.788 247 F N -0.595 119.263 119.950 -0.153 0.000 2.134 247 F HA -0.182 4.346 4.527 0.001 0.000 0.299 247 F C 2.290 178.126 175.800 0.061 0.000 1.097 247 F CA 1.008 58.996 58.000 -0.019 0.000 1.264 247 F CB -1.020 37.968 39.000 -0.021 0.000 1.001 247 F HN -0.090 nan 8.300 nan 0.000 0.479 248 T N -0.569 114.171 114.554 0.310 0.000 2.737 248 T HA -0.237 4.113 4.350 0.001 0.000 0.269 248 T C 1.910 176.767 174.700 0.262 0.000 1.040 248 T CA 1.363 63.649 62.100 0.310 0.000 1.142 248 T CB -0.706 68.464 68.868 0.503 0.000 0.861 248 T HN 0.369 nan 8.240 nan 0.000 0.456 249 C N 0.770 120.235 119.300 0.275 0.000 2.508 249 C HA 0.128 4.589 4.460 0.001 0.000 0.280 249 C C 2.713 177.749 174.990 0.076 0.000 1.262 249 C CA 0.122 59.250 59.018 0.182 0.000 1.706 249 C CB -1.372 26.494 27.740 0.211 0.000 2.078 249 C HN 0.506 nan 8.230 nan 0.000 0.480 250 L N 1.450 122.731 121.223 0.097 0.000 2.043 250 L HA -0.206 4.135 4.340 0.001 0.000 0.212 250 L C 2.372 179.287 176.870 0.075 0.000 1.075 250 L CA 2.192 57.077 54.840 0.074 0.000 0.752 250 L CB -0.892 41.223 42.059 0.093 0.000 0.891 250 L HN 0.505 nan 8.230 nan 0.000 0.432 251 N N -0.724 118.023 118.700 0.079 0.000 2.289 251 N HA -0.209 4.532 4.740 0.001 0.000 0.184 251 N C 1.966 177.545 175.510 0.114 0.000 1.016 251 N CA 1.288 54.381 53.050 0.071 0.000 0.872 251 N CB 0.042 38.562 38.487 0.055 0.000 0.973 251 N HN 0.176 nan 8.380 nan 0.000 0.433 252 S N -0.977 114.813 115.700 0.150 0.000 2.377 252 S HA 0.083 4.554 4.470 0.001 0.000 0.223 252 S C 1.947 176.734 174.600 0.311 0.000 1.030 252 S CA 0.913 59.260 58.200 0.244 0.000 0.970 252 S CB -0.543 62.801 63.200 0.240 0.000 0.830 252 S HN 0.485 nan 8.310 nan 0.000 0.473 253 A N 1.951 124.881 122.820 0.184 0.000 1.898 253 A HA -0.018 4.302 4.320 0.001 0.000 0.216 253 A C 2.204 179.852 177.584 0.107 0.000 1.181 253 A CA 1.335 53.461 52.037 0.149 0.000 0.620 253 A CB -0.674 18.354 19.000 0.045 0.000 0.819 253 A HN 0.621 nan 8.150 nan 0.000 0.442 254 R N -1.996 118.558 120.500 0.091 0.000 2.117 254 R HA -0.220 4.121 4.340 0.001 0.000 0.243 254 R C 2.118 178.438 176.300 0.033 0.000 1.143 254 R CA 1.882 58.006 56.100 0.040 0.000 0.968 254 R CB -0.599 29.713 30.300 0.020 0.000 0.863 254 R HN 0.757 nan 8.270 nan 0.000 0.444 255 Y N 0.591 120.892 120.300 0.003 0.000 2.200 255 Y HA -0.105 4.445 4.550 0.001 0.000 0.290 255 Y C 2.280 178.192 175.900 0.019 0.000 1.137 255 Y CA 1.637 59.750 58.100 0.022 0.000 1.163 255 Y CB -0.436 38.058 38.460 0.057 0.000 0.988 255 Y HN 0.027 nan 8.280 nan 0.000 0.518 256 G N 0.352 109.064 108.800 -0.147 0.000 2.394 256 G HA2 -0.205 3.756 3.960 0.001 0.000 0.215 256 G HA3 -0.205 3.756 3.960 0.001 0.000 0.215 256 G C 1.642 176.421 174.900 -0.202 0.000 1.165 256 G CA 1.087 45.931 45.100 -0.427 0.000 0.784 256 G HN 0.481 nan 8.290 nan 0.000 0.535 257 I N 1.707 122.211 120.570 -0.110 0.000 2.194 257 I HA -0.241 3.929 4.170 0.001 0.000 0.246 257 I C 3.268 179.316 176.117 -0.114 0.000 1.093 257 I CA 1.073 62.322 61.300 -0.084 0.000 1.355 257 I CB -0.180 37.785 38.000 -0.059 0.000 1.046 257 I HN 0.231 nan 8.210 nan 0.000 0.413 258 A N -0.019 122.700 122.820 -0.168 0.000 1.908 258 A HA -0.240 4.081 4.320 0.001 0.000 0.218 258 A C 2.014 179.429 177.584 -0.282 0.000 1.181 258 A CA 1.650 53.540 52.037 -0.245 0.000 0.627 258 A CB -1.061 17.751 19.000 -0.315 0.000 0.818 258 A HN 0.555 nan 8.150 nan 0.000 0.445 259 W N -0.430 120.645 121.300 -0.375 0.000 2.407 259 W HA 0.113 4.773 4.660 0.001 0.000 0.305 259 W C 2.590 178.987 176.519 -0.202 0.000 1.196 259 W CA 1.127 58.290 57.345 -0.304 0.000 1.311 259 W CB -0.691 28.539 29.460 -0.384 0.000 1.135 259 W HN 0.361 nan 8.180 nan 0.000 0.514 260 G N 0.388 109.223 108.800 0.058 0.000 2.491 260 G HA2 -0.312 3.649 3.960 0.001 0.000 0.218 260 G HA3 -0.312 3.649 3.960 0.001 0.000 0.218 260 G C 1.661 176.553 174.900 -0.013 0.000 1.180 260 G CA 1.839 46.950 45.100 0.019 0.000 0.774 260 G HN 0.313 nan 8.290 nan 0.000 0.562 261 A N 0.386 123.176 122.820 -0.051 0.000 1.948 261 A HA -0.002 4.319 4.320 0.001 0.000 0.220 261 A C 2.448 179.981 177.584 -0.086 0.000 1.177 261 A CA 1.516 53.512 52.037 -0.069 0.000 0.636 261 A CB -0.392 18.556 19.000 -0.087 0.000 0.815 261 A HN 0.392 nan 8.150 nan 0.000 0.449 262 L N -1.117 120.050 121.223 -0.092 0.000 2.156 262 L HA -0.074 4.267 4.340 0.001 0.000 0.208 262 L C 2.805 179.640 176.870 -0.057 0.000 1.095 262 L CA 0.799 55.581 54.840 -0.098 0.000 0.770 262 L CB -0.783 41.189 42.059 -0.145 0.000 0.914 262 L HN 0.508 nan 8.230 nan 0.000 0.439 263 G N -0.045 108.742 108.800 -0.021 0.000 2.459 263 G HA2 -0.293 3.668 3.960 0.001 0.000 0.217 263 G HA3 -0.293 3.668 3.960 0.001 0.000 0.217 263 G C 1.791 176.627 174.900 -0.107 0.000 1.183 263 G CA 0.863 45.951 45.100 -0.019 0.000 0.776 263 G HN 0.450 nan 8.290 nan 0.000 0.552 264 A N 1.201 123.937 122.820 -0.141 0.000 1.917 264 A HA 0.129 4.450 4.320 0.001 0.000 0.219 264 A C 2.833 180.180 177.584 -0.395 0.000 1.182 264 A CA 2.656 54.476 52.037 -0.361 0.000 0.633 264 A CB -0.889 17.985 19.000 -0.209 0.000 0.819 264 A HN 0.898 nan 8.150 nan 0.000 0.448 265 A N -0.459 122.238 122.820 -0.205 0.000 1.877 265 A HA -0.163 4.157 4.320 0.001 0.000 0.216 265 A C 1.892 179.426 177.584 -0.084 0.000 1.186 265 A CA 1.672 53.624 52.037 -0.142 0.000 0.620 265 A CB -0.600 18.334 19.000 -0.110 0.000 0.822 265 A HN 0.637 nan 8.150 nan 0.000 0.443 266 E N -0.031 120.124 120.200 -0.075 0.000 2.049 266 E HA -0.187 4.164 4.350 0.001 0.000 0.198 266 E C 2.350 178.746 176.600 -0.339 0.000 1.007 266 E CA 1.577 57.904 56.400 -0.122 0.000 0.809 266 E CB -0.247 29.353 29.700 -0.168 0.000 0.749 266 E HN 0.575 nan 8.360 nan 0.000 0.450 267 S N 0.358 115.889 115.700 -0.281 0.000 2.378 267 S HA -0.265 4.206 4.470 0.001 0.000 0.229 267 S C 2.216 176.756 174.600 -0.100 0.000 1.052 267 S CA 1.436 59.521 58.200 -0.191 0.000 1.084 267 S CB -0.566 62.505 63.200 -0.215 0.000 0.950 267 S HN 0.419 nan 8.310 nan 0.000 0.440 268 C N 0.134 119.353 119.300 -0.134 0.000 2.413 268 C HA -0.121 4.340 4.460 0.001 0.000 0.276 268 C C 2.255 177.303 174.990 0.096 0.000 1.236 268 C CA 0.426 59.427 59.018 -0.027 0.000 1.735 268 C CB -1.580 26.124 27.740 -0.060 0.000 2.031 268 C HN 0.840 nan 8.230 nan 0.000 0.474 269 W N 1.565 122.812 121.300 -0.088 0.000 2.311 269 W HA -0.163 4.498 4.660 0.001 0.000 0.326 269 W C 2.520 179.124 176.519 0.141 0.000 1.239 269 W CA 1.936 59.287 57.345 0.009 0.000 1.258 269 W CB -1.468 27.997 29.460 0.008 0.000 1.165 269 W HN 0.533 nan 8.180 nan 0.000 0.466 270 H N -0.635 118.403 119.070 -0.052 0.000 2.321 270 H HA -0.237 4.320 4.556 0.001 0.000 0.295 270 H C 2.314 177.616 175.328 -0.043 0.000 1.102 270 H CA 1.896 57.852 56.048 -0.154 0.000 1.266 270 H CB -0.414 29.286 29.762 -0.103 0.000 1.363 270 H HN 0.182 nan 8.280 nan 0.000 0.492 271 I N 0.667 121.314 120.570 0.129 0.000 2.202 271 I HA -0.248 3.922 4.170 0.001 0.000 0.242 271 I C 2.812 178.976 176.117 0.078 0.000 1.091 271 I CA 0.854 62.203 61.300 0.082 0.000 1.368 271 I CB -0.237 37.787 38.000 0.040 0.000 1.058 271 I HN 0.292 nan 8.210 nan 0.000 0.410 272 A N 0.482 123.345 122.820 0.072 0.000 1.908 272 A HA -0.267 4.053 4.320 0.001 0.000 0.218 272 A C 2.449 180.105 177.584 0.120 0.000 1.181 272 A CA 1.846 53.931 52.037 0.081 0.000 0.627 272 A CB -0.669 18.383 19.000 0.086 0.000 0.818 272 A HN 0.359 nan 8.150 nan 0.000 0.445 273 R N -1.118 119.431 120.500 0.082 0.000 2.075 273 R HA -0.180 4.161 4.340 0.001 0.000 0.232 273 R C 2.325 178.605 176.300 -0.032 0.000 1.126 273 R CA 1.834 57.925 56.100 -0.014 0.000 0.963 273 R CB -0.189 30.005 30.300 -0.177 0.000 0.858 273 R HN 0.524 nan 8.270 nan 0.000 0.435 274 Q N -0.549 119.253 119.800 0.003 0.000 2.187 274 Q HA -0.153 4.188 4.340 0.001 0.000 0.199 274 Q C 1.572 177.593 176.000 0.036 0.000 0.957 274 Q CA 1.402 57.205 55.803 -0.001 0.000 0.857 274 Q CB -0.367 28.381 28.738 0.016 0.000 0.929 274 Q HN 0.494 nan 8.270 nan 0.000 0.453 275 Y N -0.107 120.172 120.300 -0.036 0.000 2.200 275 Y HA -0.159 4.392 4.550 0.001 0.000 0.290 275 Y C 1.848 177.726 175.900 -0.037 0.000 1.137 275 Y CA 1.799 59.880 58.100 -0.033 0.000 1.163 275 Y CB -0.043 38.392 38.460 -0.041 0.000 0.988 275 Y HN 0.085 nan 8.280 nan 0.000 0.518 276 V N -2.377 117.584 119.914 0.079 0.000 2.871 276 V HA -0.122 3.999 4.120 0.001 0.000 0.256 276 V C 1.929 177.961 176.094 -0.103 0.000 1.082 276 V CA 1.103 63.384 62.300 -0.032 0.000 1.105 276 V CB -0.781 31.081 31.823 0.065 0.000 0.713 276 V HN 0.330 nan 8.190 nan 0.000 0.473 277 L N 0.999 122.166 121.223 -0.094 0.000 2.217 277 L HA 0.034 4.375 4.340 0.001 0.000 0.211 277 L C 2.077 178.877 176.870 -0.118 0.000 1.107 277 L CA 1.728 56.507 54.840 -0.101 0.000 0.783 277 L CB -1.075 40.925 42.059 -0.098 0.000 0.919 277 L HN 0.373 nan 8.230 nan 0.000 0.442 278 D N -1.637 118.669 120.400 -0.157 0.000 2.277 278 D HA 0.017 4.658 4.640 0.001 0.000 0.209 278 D C 0.884 177.058 176.300 -0.211 0.000 0.970 278 D CA 0.312 54.215 54.000 -0.162 0.000 0.874 278 D CB 0.267 40.981 40.800 -0.144 0.000 0.982 278 D HN -0.030 nan 8.370 nan 0.000 0.504 279 R N 1.186 121.487 120.500 -0.332 0.000 2.441 279 R HA 0.392 4.732 4.340 0.001 0.000 0.284 279 R C -0.302 175.869 176.300 -0.216 0.000 1.070 279 R CA -0.243 55.658 56.100 -0.331 0.000 1.047 279 R CB 0.519 30.484 30.300 -0.558 0.000 1.016 279 R HN -0.195 nan 8.270 nan 0.000 0.477 280 K N 1.390 121.685 120.400 -0.175 0.000 2.207 280 K HA 0.423 4.744 4.320 0.001 0.000 0.255 280 K C -0.950 175.536 176.600 -0.190 0.000 0.941 280 K CA -0.563 55.638 56.287 -0.143 0.000 0.825 280 K CB 1.951 34.389 32.500 -0.103 0.000 1.119 280 K HN 0.386 nan 8.250 nan 0.000 0.430 281 Q N 2.247 121.910 119.800 -0.227 0.000 2.271 281 Q HA 0.371 4.712 4.340 0.001 0.000 0.268 281 Q C -1.185 174.558 176.000 -0.428 0.000 1.021 281 Q CA -0.538 54.983 55.803 -0.470 0.000 0.802 281 Q CB 0.729 29.087 28.738 -0.634 0.000 1.282 281 Q HN 0.526 nan 8.270 nan 0.000 0.431 282 F N 1.770 121.715 119.950 -0.009 0.000 3.080 282 F HA -0.205 4.323 4.527 0.001 0.000 0.292 282 F C 0.973 176.766 175.800 -0.011 0.000 0.891 282 F CA 1.217 59.212 58.000 -0.008 0.000 1.086 282 F CB -2.127 36.870 39.000 -0.006 0.000 1.095 282 F HN 0.916 nan 8.300 nan 0.000 0.633 283 G N 0.412 109.253 108.800 0.068 0.000 2.221 283 G HA2 -0.260 3.701 3.960 0.001 0.000 0.265 283 G HA3 -0.260 3.701 3.960 0.001 0.000 0.265 283 G C 0.213 175.130 174.900 0.028 0.000 1.041 283 G CA 0.379 45.501 45.100 0.037 0.000 0.807 283 G HN 1.115 nan 8.290 nan 0.000 0.502 284 R N -1.624 118.885 120.500 0.015 0.000 2.668 284 R HA 0.672 5.013 4.340 0.001 0.000 0.272 284 R C -3.342 172.938 176.300 -0.032 0.000 1.019 284 R CA -2.186 53.917 56.100 0.005 0.000 0.894 284 R CB 1.453 31.777 30.300 0.040 0.000 1.228 284 R HN 0.011 nan 8.270 nan 0.000 0.460 285 P HA 0.016 nan 4.420 nan 0.000 0.269 285 P C 0.464 177.729 177.300 -0.057 0.000 1.215 285 P CA -0.526 62.534 63.100 -0.068 0.000 0.780 285 P CB 0.485 32.146 31.700 -0.065 0.000 0.898 286 L N 1.985 123.160 121.223 -0.080 0.000 2.191 286 L HA -0.127 4.214 4.340 0.001 0.000 0.212 286 L C 2.334 179.194 176.870 -0.016 0.000 1.103 286 L CA 1.761 56.574 54.840 -0.045 0.000 0.769 286 L CB -1.963 40.070 42.059 -0.044 0.000 0.908 286 L HN 0.421 nan 8.230 nan 0.000 0.438 287 A N -0.685 122.116 122.820 -0.031 0.000 2.125 287 A HA -0.098 4.223 4.320 0.001 0.000 0.219 287 A C 2.443 180.018 177.584 -0.016 0.000 1.156 287 A CA 1.397 53.418 52.037 -0.026 0.000 0.671 287 A CB -0.620 18.349 19.000 -0.053 0.000 0.794 287 A HN 0.368 nan 8.150 nan 0.000 0.459 288 A N -0.054 122.761 122.820 -0.010 0.000 2.066 288 A HA -0.006 4.315 4.320 0.001 0.000 0.218 288 A C 0.917 178.511 177.584 0.017 0.000 1.157 288 A CA 0.209 52.248 52.037 0.003 0.000 0.670 288 A CB -0.313 18.692 19.000 0.010 0.000 0.804 288 A HN 0.527 nan 8.150 nan 0.000 0.453 289 N N 0.397 119.112 118.700 0.025 0.000 2.518 289 N HA 0.107 4.847 4.740 0.001 0.000 0.266 289 N C 0.679 176.204 175.510 0.025 0.000 1.196 289 N CA 0.034 53.105 53.050 0.036 0.000 0.947 289 N CB 0.712 39.229 38.487 0.050 0.000 1.098 289 N HN 0.440 nan 8.380 nan 0.000 0.450 290 Q N 1.068 120.882 119.800 0.024 0.000 2.172 290 Q HA -0.002 4.339 4.340 0.001 0.000 0.200 290 Q C 1.718 177.728 176.000 0.017 0.000 0.964 290 Q CA 0.946 56.759 55.803 0.016 0.000 0.855 290 Q CB 0.074 28.820 28.738 0.013 0.000 0.918 290 Q HN 0.548 nan 8.270 nan 0.000 0.444 291 L N 0.313 121.549 121.223 0.021 0.000 2.083 291 L HA -0.189 4.152 4.340 0.001 0.000 0.209 291 L C 2.179 179.061 176.870 0.020 0.000 1.083 291 L CA 0.572 55.424 54.840 0.019 0.000 0.752 291 L CB -0.300 41.774 42.059 0.024 0.000 0.899 291 L HN 0.277 nan 8.230 nan 0.000 0.433 292 I N -0.291 120.294 120.570 0.026 0.000 2.252 292 I HA -0.259 3.912 4.170 0.001 0.000 0.245 292 I C 2.530 178.663 176.117 0.027 0.000 1.102 292 I CA 1.513 62.831 61.300 0.030 0.000 1.385 292 I CB -1.060 36.961 38.000 0.035 0.000 1.064 292 I HN 0.411 nan 8.210 nan 0.000 0.414 293 Q N 0.257 120.069 119.800 0.021 0.000 2.167 293 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 293 Q C 2.221 178.232 176.000 0.020 0.000 0.970 293 Q CA 1.081 56.896 55.803 0.020 0.000 0.855 293 Q CB -0.076 28.670 28.738 0.014 0.000 0.911 293 Q HN 0.456 nan 8.270 nan 0.000 0.438 294 K N 1.639 122.046 120.400 0.011 0.000 2.026 294 K HA -0.183 4.137 4.320 0.001 0.000 0.208 294 K C 1.765 178.361 176.600 -0.007 0.000 1.048 294 K CA 1.319 57.607 56.287 0.001 0.000 0.929 294 K CB 0.114 32.612 32.500 -0.003 0.000 0.713 294 K HN 0.008 nan 8.250 nan 0.000 0.439 295 K N 0.668 121.067 120.400 -0.002 0.000 2.032 295 K HA -0.132 4.188 4.320 0.001 0.000 0.209 295 K C 2.169 178.762 176.600 -0.011 0.000 1.048 295 K CA 1.649 57.930 56.287 -0.010 0.000 0.927 295 K CB -0.195 32.306 32.500 0.002 0.000 0.712 295 K HN 0.177 nan 8.250 nan 0.000 0.441 296 L N 0.347 121.588 121.223 0.031 0.000 2.141 296 L HA -0.146 4.195 4.340 0.001 0.000 0.209 296 L C 2.547 179.429 176.870 0.020 0.000 1.094 296 L CA 0.876 55.764 54.840 0.080 0.000 0.763 296 L CB -0.530 41.617 42.059 0.146 0.000 0.908 296 L HN 0.233 nan 8.230 nan 0.000 0.437 297 A N -0.286 122.538 122.820 0.007 0.000 1.929 297 A HA -0.177 4.143 4.320 0.001 0.000 0.216 297 A C 1.918 179.453 177.584 -0.082 0.000 1.176 297 A CA 1.499 53.532 52.037 -0.006 0.000 0.628 297 A CB -0.343 18.663 19.000 0.011 0.000 0.816 297 A HN 0.306 nan 8.150 nan 0.000 0.444 298 D N -0.045 120.300 120.400 -0.091 0.000 2.117 298 D HA -0.148 4.493 4.640 0.001 0.000 0.197 298 D C 2.043 178.215 176.300 -0.213 0.000 0.987 298 D CA 1.495 55.422 54.000 -0.121 0.000 0.829 298 D CB -0.349 40.398 40.800 -0.089 0.000 0.961 298 D HN 0.512 nan 8.370 nan 0.000 0.460 299 M N 0.307 119.734 119.600 -0.288 0.000 2.086 299 M HA -0.181 4.299 4.480 0.001 0.000 0.261 299 M C 2.401 178.206 176.300 -0.824 0.000 1.067 299 M CA 1.297 56.296 55.300 -0.501 0.000 1.116 299 M CB -0.375 31.896 32.600 -0.548 0.000 1.348 299 M HN -0.041 nan 8.290 nan 0.000 0.407 300 Q N 0.267 119.529 119.800 -0.897 0.000 2.061 300 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 300 Q C 1.784 177.534 176.000 -0.416 0.000 0.984 300 Q CA 2.441 57.718 55.803 -0.878 0.000 0.846 300 Q CB -0.093 28.538 28.738 -0.180 0.000 0.902 300 Q HN 0.480 nan 8.270 nan 0.000 0.421 301 T N 1.265 115.675 114.554 -0.240 0.000 2.652 301 T HA -0.160 4.191 4.350 0.001 0.000 0.267 301 T C 1.581 176.180 174.700 -0.168 0.000 1.039 301 T CA 1.503 63.518 62.100 -0.142 0.000 1.153 301 T CB -0.224 68.584 68.868 -0.100 0.000 0.863 301 T HN 0.326 nan 8.240 nan 0.000 0.428 302 E N 0.590 120.663 120.200 -0.211 0.000 2.107 302 E HA 0.058 4.408 4.350 0.001 0.000 0.191 302 E C 2.271 178.757 176.600 -0.191 0.000 0.982 302 E CA 0.579 56.872 56.400 -0.178 0.000 0.809 302 E CB -0.331 29.268 29.700 -0.168 0.000 0.756 302 E HN 0.515 nan 8.360 nan 0.000 0.459 303 I N 0.858 121.277 120.570 -0.251 0.000 2.252 303 I HA -0.218 3.953 4.170 0.001 0.000 0.245 303 I C 2.241 178.271 176.117 -0.146 0.000 1.102 303 I CA 1.163 62.340 61.300 -0.205 0.000 1.385 303 I CB -0.258 37.599 38.000 -0.237 0.000 1.064 303 I HN 0.039 nan 8.210 nan 0.000 0.414 304 T N 1.186 115.660 114.554 -0.134 0.000 2.746 304 T HA -0.128 4.222 4.350 0.001 0.000 0.267 304 T C 1.927 176.579 174.700 -0.079 0.000 1.039 304 T CA 1.296 63.358 62.100 -0.064 0.000 1.142 304 T CB -0.287 68.569 68.868 -0.020 0.000 0.866 304 T HN 0.225 nan 8.240 nan 0.000 0.444 305 L N 0.564 121.730 121.223 -0.094 0.000 2.072 305 L HA 0.057 4.398 4.340 0.001 0.000 0.205 305 L C 3.046 179.837 176.870 -0.132 0.000 1.079 305 L CA 1.222 56.004 54.840 -0.096 0.000 0.752 305 L CB -0.936 41.070 42.059 -0.088 0.000 0.906 305 L HN 0.350 nan 8.230 nan 0.000 0.436 306 G N 0.113 108.819 108.800 -0.157 0.000 2.442 306 G HA2 -0.217 3.743 3.960 0.001 0.000 0.219 306 G HA3 -0.217 3.743 3.960 0.001 0.000 0.219 306 G C 1.632 176.369 174.900 -0.272 0.000 1.141 306 G CA 0.570 45.548 45.100 -0.203 0.000 0.763 306 G HN 0.225 nan 8.290 nan 0.000 0.554 307 L N -0.240 120.839 121.223 -0.240 0.000 2.093 307 L HA -0.062 4.278 4.340 0.001 0.000 0.208 307 L C 3.124 179.833 176.870 -0.268 0.000 1.085 307 L CA 0.748 55.407 54.840 -0.302 0.000 0.755 307 L CB -0.268 41.689 42.059 -0.169 0.000 0.904 307 L HN 0.129 nan 8.230 nan 0.000 0.435 308 Q N -0.125 119.578 119.800 -0.162 0.000 2.170 308 Q HA -0.118 4.222 4.340 0.001 0.000 0.203 308 Q C 2.260 178.185 176.000 -0.126 0.000 0.976 308 Q CA 1.587 57.326 55.803 -0.107 0.000 0.858 308 Q CB -0.514 28.185 28.738 -0.065 0.000 0.907 308 Q HN 0.568 nan 8.270 nan 0.000 0.433 309 G N 0.625 109.323 108.800 -0.170 0.000 2.402 309 G HA2 -0.166 3.795 3.960 0.001 0.000 0.216 309 G HA3 -0.166 3.795 3.960 0.001 0.000 0.216 309 G C 1.575 176.350 174.900 -0.208 0.000 1.162 309 G CA 1.372 46.373 45.100 -0.165 0.000 0.777 309 G HN 0.374 nan 8.290 nan 0.000 0.539 310 V N -0.937 118.729 119.914 -0.413 0.000 2.548 310 V HA 0.032 4.153 4.120 0.001 0.000 0.249 310 V C 2.569 178.537 176.094 -0.211 0.000 1.055 310 V CA 1.376 63.329 62.300 -0.579 0.000 1.065 310 V CB -0.633 30.290 31.823 -1.499 0.000 0.681 310 V HN 0.186 nan 8.190 nan 0.000 0.462 311 L N 1.100 122.210 121.223 -0.188 0.000 1.989 311 L HA -0.110 4.230 4.340 0.001 0.000 0.211 311 L C 2.728 179.703 176.870 0.176 0.000 1.071 311 L CA 2.655 57.609 54.840 0.190 0.000 0.749 311 L CB -0.932 41.201 42.059 0.124 0.000 0.890 311 L HN 0.431 nan 8.230 nan 0.000 0.431 312 R N -0.655 119.885 120.500 0.066 0.000 2.096 312 R HA -0.182 4.159 4.340 0.001 0.000 0.235 312 R C 2.119 178.473 176.300 0.090 0.000 1.127 312 R CA 1.897 58.035 56.100 0.063 0.000 0.968 312 R CB -1.028 29.282 30.300 0.017 0.000 0.861 312 R HN 0.434 nan 8.270 nan 0.000 0.440 313 L N 0.107 121.392 121.223 0.105 0.000 1.994 313 L HA 0.048 4.389 4.340 0.001 0.000 0.208 313 L C 2.134 179.131 176.870 0.212 0.000 1.071 313 L CA 2.496 57.424 54.840 0.146 0.000 0.745 313 L CB -1.380 40.793 42.059 0.190 0.000 0.892 313 L HN 0.323 nan 8.230 nan 0.000 0.431 314 G N -0.593 108.463 108.800 0.428 0.000 2.476 314 G HA2 -0.275 3.685 3.960 0.001 0.000 0.218 314 G HA3 -0.275 3.685 3.960 0.001 0.000 0.218 314 G C 1.676 176.702 174.900 0.211 0.000 1.164 314 G CA 0.710 46.058 45.100 0.413 0.000 0.768 314 G HN 0.349 nan 8.290 nan 0.000 0.560 315 R N -0.322 120.291 120.500 0.187 0.000 2.115 315 R HA 0.115 4.456 4.340 0.001 0.000 0.230 315 R C 2.640 178.990 176.300 0.083 0.000 1.111 315 R CA 0.865 57.039 56.100 0.124 0.000 0.976 315 R CB -0.488 29.874 30.300 0.104 0.000 0.870 315 R HN 0.426 nan 8.270 nan 0.000 0.445 316 M N 0.342 119.980 119.600 0.063 0.000 2.200 316 M HA -0.106 4.375 4.480 0.001 0.000 0.265 316 M C 2.017 178.320 176.300 0.005 0.000 1.066 316 M CA 1.553 56.871 55.300 0.030 0.000 1.127 316 M CB -0.112 32.499 32.600 0.019 0.000 1.379 316 M HN 0.005 nan 8.290 nan 0.000 0.420 317 K N 0.234 120.612 120.400 -0.038 0.000 2.057 317 K HA -0.136 4.185 4.320 0.001 0.000 0.206 317 K C 1.379 178.037 176.600 0.097 0.000 1.050 317 K CA 1.158 57.370 56.287 -0.125 0.000 0.935 317 K CB -0.188 31.983 32.500 -0.549 0.000 0.715 317 K HN 0.282 nan 8.250 nan 0.000 0.439 318 D N 1.007 121.512 120.400 0.175 0.000 2.263 318 D HA -0.128 4.512 4.640 0.001 0.000 0.208 318 D C 1.137 177.494 176.300 0.096 0.000 0.971 318 D CA 1.156 55.258 54.000 0.170 0.000 0.867 318 D CB 0.063 40.939 40.800 0.128 0.000 0.929 318 D HN 0.356 nan 8.370 nan 0.000 0.492 319 E N -0.586 119.656 120.200 0.070 0.000 2.472 319 E HA 0.224 4.575 4.350 0.001 0.000 0.196 319 E C 1.152 177.777 176.600 0.042 0.000 1.033 319 E CA 0.229 56.658 56.400 0.048 0.000 0.886 319 E CB 0.547 30.270 29.700 0.039 0.000 0.944 319 E HN 0.189 nan 8.360 nan 0.000 0.492 320 G N 1.906 110.733 108.800 0.045 0.000 2.160 320 G HA2 -0.344 3.617 3.960 0.001 0.000 0.251 320 G HA3 -0.344 3.617 3.960 0.001 0.000 0.251 320 G C 1.007 175.919 174.900 0.020 0.000 1.008 320 G CA 0.955 46.076 45.100 0.035 0.000 0.724 320 G HN 0.418 nan 8.290 nan 0.000 0.514 321 T N -3.229 111.333 114.554 0.014 0.000 3.040 321 T HA 0.632 4.983 4.350 0.001 0.000 0.250 321 T C 1.165 175.865 174.700 0.001 0.000 1.058 321 T CA 1.185 63.291 62.100 0.010 0.000 0.988 321 T CB 0.730 69.606 68.868 0.014 0.000 0.993 321 T HN 1.575 nan 8.240 nan 0.000 0.519 322 A N 1.631 124.443 122.820 -0.014 0.000 2.302 322 A HA 0.782 5.103 4.320 0.001 0.000 0.295 322 A C 0.750 178.321 177.584 -0.022 0.000 1.235 322 A CA -0.568 51.454 52.037 -0.026 0.000 0.876 322 A CB -0.341 18.623 19.000 -0.060 0.000 1.133 322 A HN 0.707 nan 8.150 nan 0.000 0.533 323 A N 2.499 125.313 122.820 -0.008 0.000 2.386 323 A HA 0.404 4.724 4.320 0.001 0.000 0.248 323 A C 1.328 178.909 177.584 -0.005 0.000 1.082 323 A CA -0.119 51.918 52.037 -0.000 0.000 0.789 323 A CB 0.199 19.203 19.000 0.007 0.000 1.025 323 A HN 1.138 nan 8.150 nan 0.000 0.490 324 V N 1.359 121.277 119.914 0.006 0.000 2.490 324 V HA -0.188 3.933 4.120 0.001 0.000 0.250 324 V C 2.267 178.363 176.094 0.003 0.000 1.061 324 V CA 2.543 64.847 62.300 0.006 0.000 1.064 324 V CB -0.964 30.876 31.823 0.029 0.000 0.670 324 V HN 0.991 nan 8.190 nan 0.000 0.461 325 E N 0.012 120.216 120.200 0.008 0.000 2.204 325 E HA -0.142 4.209 4.350 0.001 0.000 0.194 325 E C 1.955 178.552 176.600 -0.006 0.000 0.989 325 E CA 1.030 57.435 56.400 0.009 0.000 0.824 325 E CB -0.296 29.411 29.700 0.013 0.000 0.756 325 E HN 0.598 nan 8.360 nan 0.000 0.477 326 I N 0.693 121.256 120.570 -0.012 0.000 2.208 326 I HA -0.316 3.855 4.170 0.001 0.000 0.245 326 I C 1.995 178.090 176.117 -0.037 0.000 1.097 326 I CA 1.405 62.692 61.300 -0.022 0.000 1.363 326 I CB -0.669 37.322 38.000 -0.014 0.000 1.051 326 I HN 0.114 nan 8.210 nan 0.000 0.413 327 T N -0.066 114.472 114.554 -0.028 0.000 2.737 327 T HA -0.189 4.162 4.350 0.001 0.000 0.269 327 T C 2.104 176.712 174.700 -0.154 0.000 1.040 327 T CA 1.815 63.889 62.100 -0.044 0.000 1.142 327 T CB -0.261 68.602 68.868 -0.008 0.000 0.861 327 T HN 0.289 nan 8.240 nan 0.000 0.456 328 S N 0.702 116.322 115.700 -0.135 0.000 2.402 328 S HA 0.043 4.513 4.470 0.001 0.000 0.229 328 S C 1.989 176.466 174.600 -0.206 0.000 1.021 328 S CA 0.652 58.712 58.200 -0.233 0.000 0.974 328 S CB -0.372 62.895 63.200 0.112 0.000 0.800 328 S HN 0.457 nan 8.310 nan 0.000 0.484 329 I N 1.086 121.587 120.570 -0.115 0.000 2.163 329 I HA -0.191 3.980 4.170 0.001 0.000 0.240 329 I C 2.266 178.297 176.117 -0.143 0.000 1.081 329 I CA 0.999 62.238 61.300 -0.101 0.000 1.353 329 I CB -0.320 37.637 38.000 -0.071 0.000 1.054 329 I HN 0.289 nan 8.210 nan 0.000 0.407 330 M N 0.171 119.677 119.600 -0.157 0.000 2.200 330 M HA -0.121 4.360 4.480 0.001 0.000 0.265 330 M C 2.184 178.352 176.300 -0.220 0.000 1.066 330 M CA 1.466 56.654 55.300 -0.188 0.000 1.127 330 M CB -1.195 31.293 32.600 -0.187 0.000 1.379 330 M HN 0.103 nan 8.290 nan 0.000 0.420 331 K N 0.655 120.897 120.400 -0.263 0.000 2.002 331 K HA -0.125 4.196 4.320 0.001 0.000 0.209 331 K C 2.181 178.644 176.600 -0.229 0.000 1.048 331 K CA 1.364 57.482 56.287 -0.282 0.000 0.930 331 K CB -0.378 31.863 32.500 -0.433 0.000 0.714 331 K HN 0.257 nan 8.250 nan 0.000 0.438 332 R N 0.651 121.005 120.500 -0.245 0.000 2.083 332 R HA -0.181 4.160 4.340 0.001 0.000 0.237 332 R C 2.140 178.378 176.300 -0.103 0.000 1.137 332 R CA 2.164 58.193 56.100 -0.118 0.000 0.951 332 R CB -0.321 29.942 30.300 -0.062 0.000 0.851 332 R HN 0.228 nan 8.270 nan 0.000 0.434 333 N N -0.321 118.306 118.700 -0.122 0.000 2.084 333 N HA -0.115 4.626 4.740 0.001 0.000 0.190 333 N C 1.610 177.042 175.510 -0.130 0.000 1.030 333 N CA 2.047 55.027 53.050 -0.117 0.000 0.849 333 N CB -0.076 38.337 38.487 -0.123 0.000 1.012 333 N HN 0.053 nan 8.380 nan 0.000 0.423 334 S N -0.664 114.941 115.700 -0.158 0.000 2.353 334 S HA -0.154 4.316 4.470 0.001 0.000 0.222 334 S C 2.234 176.759 174.600 -0.125 0.000 1.035 334 S CA 1.237 59.338 58.200 -0.164 0.000 1.025 334 S CB -0.620 62.458 63.200 -0.203 0.000 0.902 334 S HN 0.541 nan 8.310 nan 0.000 0.440 335 C N 1.237 120.472 119.300 -0.108 0.000 2.442 335 C HA 0.006 4.467 4.460 0.001 0.000 0.279 335 C C 3.021 177.971 174.990 -0.066 0.000 1.237 335 C CA 0.556 59.529 59.018 -0.076 0.000 1.722 335 C CB -1.790 25.916 27.740 -0.056 0.000 2.056 335 C HN 0.726 nan 8.230 nan 0.000 0.469 336 G N 0.745 109.507 108.800 -0.064 0.000 2.513 336 G HA2 -0.254 3.706 3.960 0.001 0.000 0.219 336 G HA3 -0.254 3.706 3.960 0.001 0.000 0.219 336 G C 1.666 176.526 174.900 -0.066 0.000 1.160 336 G CA 1.039 46.105 45.100 -0.057 0.000 0.767 336 G HN 0.499 nan 8.290 nan 0.000 0.571 337 K N 0.764 121.114 120.400 -0.083 0.000 2.167 337 K HA 0.194 4.515 4.320 0.001 0.000 0.203 337 K C 2.858 179.400 176.600 -0.095 0.000 1.052 337 K CA 0.936 57.167 56.287 -0.093 0.000 0.956 337 K CB -0.570 31.864 32.500 -0.110 0.000 0.735 337 K HN 0.283 nan 8.250 nan 0.000 0.451 338 A N 1.731 124.495 122.820 -0.094 0.000 1.902 338 A HA -0.159 4.161 4.320 0.001 0.000 0.217 338 A C 2.199 179.741 177.584 -0.069 0.000 1.181 338 A CA 1.206 53.190 52.037 -0.089 0.000 0.623 338 A CB -0.561 18.386 19.000 -0.088 0.000 0.818 338 A HN 0.202 nan 8.150 nan 0.000 0.443 339 L N 0.417 121.606 121.223 -0.055 0.000 2.012 339 L HA -0.194 4.146 4.340 0.001 0.000 0.210 339 L C 1.705 178.548 176.870 -0.044 0.000 1.073 339 L CA 2.616 57.431 54.840 -0.040 0.000 0.748 339 L CB -0.842 41.198 42.059 -0.032 0.000 0.891 339 L HN 0.385 nan 8.230 nan 0.000 0.431 340 D N -0.307 120.061 120.400 -0.052 0.000 2.104 340 D HA -0.229 4.412 4.640 0.001 0.000 0.194 340 D C 2.359 178.624 176.300 -0.058 0.000 0.994 340 D CA 2.006 55.974 54.000 -0.053 0.000 0.830 340 D CB -0.192 40.572 40.800 -0.059 0.000 0.959 340 D HN 0.450 nan 8.370 nan 0.000 0.452 341 I N 1.097 121.624 120.570 -0.071 0.000 2.252 341 I HA -0.222 3.948 4.170 0.001 0.000 0.245 341 I C 2.485 178.568 176.117 -0.056 0.000 1.102 341 I CA 0.905 62.161 61.300 -0.074 0.000 1.385 341 I CB -0.121 37.821 38.000 -0.096 0.000 1.064 341 I HN -0.082 nan 8.210 nan 0.000 0.414 342 A N 0.754 123.541 122.820 -0.055 0.000 1.933 342 A HA -0.200 4.121 4.320 0.001 0.000 0.218 342 A C 2.366 179.921 177.584 -0.047 0.000 1.175 342 A CA 1.431 53.440 52.037 -0.046 0.000 0.628 342 A CB -0.523 18.459 19.000 -0.030 0.000 0.814 342 A HN 0.319 nan 8.150 nan 0.000 0.444 343 R N -1.354 119.121 120.500 -0.042 0.000 2.092 343 R HA -0.050 4.290 4.340 0.001 0.000 0.231 343 R C 1.948 178.221 176.300 -0.045 0.000 1.119 343 R CA 1.167 57.244 56.100 -0.039 0.000 0.970 343 R CB -0.447 29.835 30.300 -0.030 0.000 0.864 343 R HN 0.410 nan 8.270 nan 0.000 0.440 344 L N 0.590 121.787 121.223 -0.045 0.000 2.056 344 L HA -0.059 4.282 4.340 0.001 0.000 0.207 344 L C 2.311 179.153 176.870 -0.047 0.000 1.078 344 L CA 1.769 56.584 54.840 -0.041 0.000 0.749 344 L CB -0.803 41.231 42.059 -0.041 0.000 0.901 344 L HN 0.126 nan 8.230 nan 0.000 0.433 345 A N -0.779 122.009 122.820 -0.053 0.000 1.873 345 A HA -0.240 4.080 4.320 0.001 0.000 0.215 345 A C 2.417 179.910 177.584 -0.151 0.000 1.186 345 A CA 1.646 53.636 52.037 -0.077 0.000 0.616 345 A CB -0.534 18.433 19.000 -0.054 0.000 0.823 345 A HN 0.363 nan 8.150 nan 0.000 0.442 346 R N 0.681 121.097 120.500 -0.140 0.000 2.117 346 R HA -0.151 4.190 4.340 0.001 0.000 0.243 346 R C 0.895 177.104 176.300 -0.152 0.000 1.143 346 R CA 2.136 58.131 56.100 -0.174 0.000 0.968 346 R CB -0.691 29.547 30.300 -0.103 0.000 0.863 346 R HN 0.488 nan 8.270 nan 0.000 0.444 347 D N -0.715 119.627 120.400 -0.096 0.000 2.347 347 D HA -0.054 4.586 4.640 0.001 0.000 0.215 347 D C 1.413 177.675 176.300 -0.064 0.000 0.976 347 D CA 0.864 54.827 54.000 -0.062 0.000 0.884 347 D CB 0.032 40.811 40.800 -0.034 0.000 0.915 347 D HN 0.347 nan 8.370 nan 0.000 0.526 348 M N -0.270 119.271 119.600 -0.098 0.000 2.510 348 M HA 0.110 4.591 4.480 0.001 0.000 0.256 348 M C 0.300 176.500 176.300 -0.166 0.000 1.132 348 M CA 0.330 55.587 55.300 -0.073 0.000 1.105 348 M CB 0.612 33.186 32.600 -0.043 0.000 1.375 348 M HN -0.179 nan 8.290 nan 0.000 0.477 349 L N 0.208 121.205 121.223 -0.376 0.000 2.292 349 L HA 0.466 4.806 4.340 0.001 0.000 0.284 349 L C 0.675 177.403 176.870 -0.236 0.000 1.065 349 L CA -0.860 53.566 54.840 -0.690 0.000 0.806 349 L CB 0.705 42.210 42.059 -0.924 0.000 1.175 349 L HN 0.063 nan 8.230 nan 0.000 0.431 350 G N 0.903 109.694 108.800 -0.016 0.000 2.568 350 G HA2 0.663 4.624 3.960 0.001 0.000 0.293 350 G HA3 0.663 4.624 3.960 0.001 0.000 0.293 350 G C -0.008 175.074 174.900 0.303 0.000 1.347 350 G CA -0.153 45.047 45.100 0.166 0.000 1.039 350 G HN 0.968 nan 8.290 nan 0.000 0.523 351 G N -1.104 107.845 108.800 0.248 0.000 2.829 351 G HA2 -0.204 3.757 3.960 0.001 0.000 0.628 351 G HA3 -0.204 3.757 3.960 0.001 0.000 0.628 351 G C -0.078 174.897 174.900 0.125 0.000 1.412 351 G CA 0.199 45.421 45.100 0.203 0.000 0.864 351 G HN 1.114 nan 8.290 nan 0.000 0.544 352 N N 0.591 119.123 118.700 -0.279 0.000 2.646 352 N HA 0.518 5.259 4.740 0.001 0.000 0.303 352 N C 0.560 175.559 175.510 -0.853 0.000 1.921 352 N CA 0.808 53.587 53.050 -0.451 0.000 0.872 352 N CB -0.008 38.381 38.487 -0.163 0.000 1.327 352 N HN 2.206 nan 8.380 nan 0.000 0.492 357 E N 0.027 120.331 120.200 0.173 0.000 2.331 357 E HA -0.025 4.326 4.350 0.001 0.000 0.199 357 E C 0.564 177.094 176.600 -0.116 0.000 1.008 357 E CA 0.715 57.133 56.400 0.030 0.000 0.843 357 E CB -0.163 29.532 29.700 -0.009 0.000 0.761 357 E HN 0.411 nan 8.360 nan 0.000 0.507 358 F N 0.094 120.019 119.950 -0.042 0.000 2.695 358 F HA 0.230 4.757 4.527 0.001 0.000 0.301 358 F C 1.963 177.696 175.800 -0.112 0.000 1.182 358 F CA -0.003 57.954 58.000 -0.072 0.000 1.412 358 F CB -0.172 38.791 39.000 -0.062 0.000 1.056 358 F HN 0.033 nan 8.300 nan 0.000 0.522 359 G N -0.111 108.686 108.800 -0.005 0.000 2.432 359 G HA2 -0.197 3.763 3.960 0.001 0.000 0.219 359 G HA3 -0.197 3.763 3.960 0.001 0.000 0.219 359 G C 1.831 176.659 174.900 -0.121 0.000 1.135 359 G CA 1.010 46.038 45.100 -0.119 0.000 0.767 359 G HN 0.266 nan 8.290 nan 0.000 0.550 360 V N 1.629 121.509 119.914 -0.058 0.000 2.287 360 V HA -0.214 3.907 4.120 0.001 0.000 0.248 360 V C 3.343 179.391 176.094 -0.077 0.000 1.053 360 V CA 2.106 64.377 62.300 -0.050 0.000 1.027 360 V CB -0.971 30.741 31.823 -0.185 0.000 0.646 360 V HN 0.479 nan 8.190 nan 0.000 0.447 361 A N -0.428 122.338 122.820 -0.090 0.000 1.940 361 A HA -0.288 4.033 4.320 0.001 0.000 0.219 361 A C 2.408 179.916 177.584 -0.127 0.000 1.176 361 A CA 2.256 54.274 52.037 -0.032 0.000 0.631 361 A CB -0.555 18.513 19.000 0.113 0.000 0.814 361 A HN 0.513 nan 8.150 nan 0.000 0.446 362 R N -1.432 118.881 120.500 -0.313 0.000 2.055 362 R HA -0.126 4.215 4.340 0.001 0.000 0.228 362 R C 2.105 178.159 176.300 -0.409 0.000 1.143 362 R CA 1.683 57.375 56.100 -0.680 0.000 0.945 362 R CB -0.462 29.267 30.300 -0.952 0.000 0.841 362 R HN 0.730 nan 8.270 nan 0.000 0.429 363 H N 0.000 118.936 119.070 -0.224 0.000 2.353 363 H HA -0.205 4.352 4.556 0.001 0.000 0.298 363 H C 1.937 177.213 175.328 -0.087 0.000 1.103 363 H CA 1.730 57.700 56.048 -0.130 0.000 1.293 363 H CB -0.043 29.657 29.762 -0.103 0.000 1.372 363 H HN 0.144 nan 8.280 nan 0.000 0.501 364 L N 0.940 122.187 121.223 0.040 0.000 1.994 364 L HA -0.157 4.183 4.340 0.001 0.000 0.208 364 L C 2.340 179.227 176.870 0.027 0.000 1.071 364 L CA 1.555 56.406 54.840 0.019 0.000 0.745 364 L CB -0.699 41.360 42.059 -0.001 0.000 0.892 364 L HN 0.272 nan 8.230 nan 0.000 0.431 365 V N -2.412 117.522 119.914 0.034 0.000 2.515 365 V HA -0.204 3.917 4.120 0.001 0.000 0.250 365 V C 2.129 178.279 176.094 0.093 0.000 1.058 365 V CA 2.020 64.370 62.300 0.085 0.000 1.064 365 V CB -1.576 30.351 31.823 0.173 0.000 0.675 365 V HN 0.556 nan 8.190 nan 0.000 0.461 366 N N 1.054 119.804 118.700 0.082 0.000 2.084 366 N HA -0.083 4.658 4.740 0.001 0.000 0.190 366 N C 1.818 177.358 175.510 0.049 0.000 1.030 366 N CA 1.691 54.788 53.050 0.078 0.000 0.849 366 N CB -0.348 38.174 38.487 0.057 0.000 1.012 366 N HN 0.404 nan 8.380 nan 0.000 0.423 367 L N 1.059 122.307 121.223 0.041 0.000 2.275 367 L HA -0.095 4.246 4.340 0.001 0.000 0.215 367 L C 1.928 178.806 176.870 0.014 0.000 1.119 367 L CA 0.892 55.744 54.840 0.020 0.000 0.790 367 L CB -0.203 41.860 42.059 0.007 0.000 0.919 367 L HN 0.231 nan 8.230 nan 0.000 0.443 368 E N -0.520 119.693 120.200 0.021 0.000 2.072 368 E HA -0.149 4.201 4.350 0.001 0.000 0.190 368 E C 2.281 178.888 176.600 0.012 0.000 0.982 368 E CA 1.039 57.447 56.400 0.014 0.000 0.803 368 E CB -0.007 29.703 29.700 0.017 0.000 0.755 368 E HN 0.248 nan 8.360 nan 0.000 0.453 369 V N 1.083 121.010 119.914 0.021 0.000 2.295 369 V HA -0.232 3.889 4.120 0.001 0.000 0.246 369 V C 2.361 178.484 176.094 0.048 0.000 1.049 369 V CA 1.329 63.640 62.300 0.018 0.000 1.024 369 V CB -0.414 31.422 31.823 0.021 0.000 0.648 369 V HN 0.130 nan 8.190 nan 0.000 0.447 370 V N 0.571 120.505 119.914 0.034 0.000 2.392 370 V HA -0.278 3.842 4.120 0.001 0.000 0.249 370 V C 2.251 178.377 176.094 0.053 0.000 1.059 370 V CA 2.475 64.792 62.300 0.029 0.000 1.051 370 V CB -0.929 30.892 31.823 -0.002 0.000 0.658 370 V HN 0.611 nan 8.190 nan 0.000 0.455 371 N N -0.107 118.610 118.700 0.029 0.000 2.457 371 N HA -0.100 4.641 4.740 0.001 0.000 0.180 371 N C 1.560 177.082 175.510 0.019 0.000 1.050 371 N CA 1.366 54.427 53.050 0.018 0.000 0.906 371 N CB 0.050 38.536 38.487 -0.002 0.000 0.968 371 N HN 0.658 nan 8.380 nan 0.000 0.445 372 T N -3.889 110.680 114.554 0.024 0.000 3.044 372 T HA 0.047 4.398 4.350 0.001 0.000 0.260 372 T C 1.487 176.180 174.700 -0.012 0.000 1.019 372 T CA -0.376 61.718 62.100 -0.010 0.000 0.921 372 T CB -0.521 68.325 68.868 -0.037 0.000 1.053 372 T HN 0.151 nan 8.240 nan 0.000 0.533 373 Y N 2.542 122.797 120.300 -0.075 0.000 2.224 373 Y HA 0.070 4.621 4.550 0.001 0.000 0.289 373 Y C 1.827 177.698 175.900 -0.049 0.000 1.146 373 Y CA 1.430 59.481 58.100 -0.082 0.000 1.182 373 Y CB -0.007 38.428 38.460 -0.042 0.000 0.983 373 Y HN 0.283 nan 8.280 nan 0.000 0.524 374 E N 0.341 120.557 120.200 0.026 0.000 2.403 374 E HA 0.309 4.659 4.350 0.001 0.000 0.188 374 E C 0.355 176.891 176.600 -0.106 0.000 1.056 374 E CA 0.297 56.674 56.400 -0.038 0.000 0.892 374 E CB -0.197 29.526 29.700 0.039 0.000 1.049 374 E HN 0.540 nan 8.360 nan 0.000 0.465 375 G N 0.411 109.145 108.800 -0.111 0.000 2.555 375 G HA2 -0.210 3.751 3.960 0.001 0.000 0.686 375 G HA3 -0.210 3.751 3.960 0.001 0.000 0.686 375 G C 0.368 175.229 174.900 -0.065 0.000 1.275 375 G CA -0.305 44.769 45.100 -0.044 0.000 0.871 375 G HN 0.116 nan 8.290 nan 0.000 0.603 376 T N -2.970 111.592 114.554 0.012 0.000 3.134 376 T HA 0.302 4.653 4.350 0.001 0.000 0.260 376 T C 1.257 175.971 174.700 0.024 0.000 1.027 376 T CA 1.257 63.354 62.100 -0.006 0.000 0.913 376 T CB -0.205 68.667 68.868 0.007 0.000 1.046 376 T HN 1.460 nan 8.240 nan 0.000 0.553 377 H N -0.725 118.322 119.070 -0.038 0.000 2.539 377 H HA 0.394 4.950 4.556 0.001 0.000 0.269 377 H C 0.244 175.550 175.328 -0.037 0.000 0.980 377 H CA -0.004 56.024 56.048 -0.035 0.000 1.152 377 H CB -0.057 29.683 29.762 -0.037 0.000 1.407 377 H HN 0.203 nan 8.280 nan 0.000 0.564 378 D N 0.532 120.738 120.400 -0.324 0.000 2.848 378 D HA -0.224 4.417 4.640 0.001 0.000 0.245 378 D C 0.973 177.085 176.300 -0.314 0.000 1.122 378 D CA 0.637 54.500 54.000 -0.229 0.000 0.769 378 D CB -1.494 39.255 40.800 -0.084 0.000 1.025 378 D HN 0.704 nan 8.370 nan 0.000 0.423 379 I N 0.776 120.988 120.570 -0.596 0.000 2.423 379 I HA -0.308 3.863 4.170 0.001 0.000 0.254 379 I C 1.809 177.692 176.117 -0.390 0.000 1.151 379 I CA 1.231 62.223 61.300 -0.513 0.000 1.421 379 I CB -0.029 37.635 38.000 -0.560 0.000 1.079 379 I HN 0.325 nan 8.210 nan 0.000 0.431 380 H N 0.531 119.526 119.070 -0.125 0.000 2.436 380 H HA 0.076 4.632 4.556 0.001 0.000 0.294 380 H C 2.294 177.586 175.328 -0.060 0.000 1.048 380 H CA 1.179 57.177 56.048 -0.083 0.000 1.353 380 H CB -0.163 29.551 29.762 -0.081 0.000 1.414 380 H HN 0.468 nan 8.280 nan 0.000 0.536 381 A N 1.334 124.171 122.820 0.028 0.000 1.933 381 A HA -0.089 4.232 4.320 0.001 0.000 0.218 381 A C 2.611 180.200 177.584 0.008 0.000 1.175 381 A CA 0.896 52.941 52.037 0.012 0.000 0.628 381 A CB -0.727 18.271 19.000 -0.002 0.000 0.814 381 A HN 0.248 nan 8.150 nan 0.000 0.444 382 L N -0.813 120.408 121.223 -0.004 0.000 2.044 382 L HA -0.125 4.215 4.340 0.001 0.000 0.205 382 L C 2.473 179.349 176.870 0.009 0.000 1.075 382 L CA 1.119 55.966 54.840 0.012 0.000 0.747 382 L CB -0.635 41.448 42.059 0.039 0.000 0.903 382 L HN 0.321 nan 8.230 nan 0.000 0.435 383 I N 0.116 120.683 120.570 -0.005 0.000 2.151 383 I HA -0.343 3.828 4.170 0.001 0.000 0.243 383 I C 2.457 178.586 176.117 0.021 0.000 1.080 383 I CA 1.604 62.909 61.300 0.008 0.000 1.339 383 I CB -0.207 37.800 38.000 0.011 0.000 1.039 383 I HN 0.223 nan 8.210 nan 0.000 0.409 384 L N -0.130 121.109 121.223 0.026 0.000 2.109 384 L HA -0.064 4.276 4.340 0.001 0.000 0.207 384 L C 2.641 179.518 176.870 0.012 0.000 1.086 384 L CA 1.323 56.174 54.840 0.019 0.000 0.760 384 L CB -1.000 41.069 42.059 0.017 0.000 0.910 384 L HN 0.293 nan 8.230 nan 0.000 0.437 385 G N -0.101 108.706 108.800 0.012 0.000 2.402 385 G HA2 -0.269 3.691 3.960 0.001 0.000 0.216 385 G HA3 -0.269 3.691 3.960 0.001 0.000 0.216 385 G C 1.723 176.630 174.900 0.011 0.000 1.162 385 G CA 0.634 45.740 45.100 0.010 0.000 0.777 385 G HN 0.271 nan 8.290 nan 0.000 0.539 386 R N 0.658 121.167 120.500 0.015 0.000 2.096 386 R HA 0.056 4.397 4.340 0.001 0.000 0.235 386 R C 2.647 178.957 176.300 0.016 0.000 1.127 386 R CA 1.509 57.619 56.100 0.016 0.000 0.968 386 R CB -0.379 29.933 30.300 0.021 0.000 0.861 386 R HN 0.259 nan 8.270 nan 0.000 0.440 387 A N 0.197 123.027 122.820 0.016 0.000 2.066 387 A HA -0.102 4.219 4.320 0.001 0.000 0.218 387 A C 1.919 179.510 177.584 0.011 0.000 1.157 387 A CA 0.926 52.972 52.037 0.015 0.000 0.670 387 A CB -0.165 18.844 19.000 0.015 0.000 0.804 387 A HN 0.492 nan 8.150 nan 0.000 0.453 388 Q N -1.201 118.604 119.800 0.009 0.000 2.165 388 Q HA -0.071 4.270 4.340 0.001 0.000 0.197 388 Q C 2.169 178.173 176.000 0.006 0.000 0.952 388 Q CA 1.688 57.495 55.803 0.006 0.000 0.848 388 Q CB 0.117 28.857 28.738 0.004 0.000 0.931 388 Q HN 0.818 nan 8.270 nan 0.000 0.470 389 T N -5.235 109.323 114.554 0.007 0.000 2.990 389 T HA 0.300 4.651 4.350 0.001 0.000 0.249 389 T C 1.348 176.053 174.700 0.008 0.000 1.039 389 T CA 0.735 62.839 62.100 0.007 0.000 1.036 389 T CB 0.962 69.834 68.868 0.006 0.000 0.994 389 T HN 0.387 nan 8.240 nan 0.000 0.489 390 G N 1.536 110.342 108.800 0.010 0.000 2.234 390 G HA2 -0.171 3.790 3.960 0.001 0.000 0.235 390 G HA3 -0.171 3.790 3.960 0.001 0.000 0.235 390 G C -0.018 174.889 174.900 0.012 0.000 0.997 390 G CA -0.014 45.093 45.100 0.011 0.000 0.623 390 G HN 0.641 nan 8.290 nan 0.000 0.514 391 I N 1.965 122.542 120.570 0.011 0.000 2.312 391 I HA 0.284 4.454 4.170 0.001 0.000 0.290 391 I C 0.610 176.735 176.117 0.013 0.000 1.008 391 I CA -0.747 60.559 61.300 0.011 0.000 1.226 391 I CB 1.530 39.535 38.000 0.008 0.000 1.371 391 I HN -0.012 nan 8.210 nan 0.000 0.468 392 Q N 4.750 124.558 119.800 0.014 0.000 2.263 392 Q HA 0.173 4.513 4.340 0.001 0.000 0.289 392 Q C 0.130 176.137 176.000 0.011 0.000 1.061 392 Q CA -0.002 55.810 55.803 0.015 0.000 0.927 392 Q CB 1.202 29.949 28.738 0.015 0.000 1.154 392 Q HN 0.796 nan 8.270 nan 0.000 0.378 393 A N 0.000 122.828 122.820 0.014 0.000 2.254 393 A HA 0.000 4.321 4.320 0.001 0.000 0.244 393 A CA 0.000 52.044 52.037 0.011 0.000 0.836 393 A CB 0.000 19.011 19.000 0.018 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486