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 3dc2_1_A DATA FIRST_RESID 4 DATA SEQUENCE LPVVLIADKL APSTVAALGD QVEVRWVDGP DRDKLLAAVP EADALLVRSA DATA SEQUENCE TTVDAEVLAA APKLKIVARA GVGLDNVDVD AATARGVLVV NAPTSNIHSA DATA SEQUENCE AEHALALLLA ASRQIPAADA SLREHTWKRS SFSGTEIFGK TVGVVGLGRI DATA SEQUENCE GQLVAQRIAA FGAYVVAYDP YVSPARAAQL GIELLSLDDL LARADFISVH DATA SEQUENCE LPKTPETAGL IDKEALAKTK PGVIIVNAAR GGLVDEAALA DAITGGHVRA DATA SEQUENCE AGLDVFATEP CTDSPLFELA QVVVTPHLGA STAEAQDRAG TDVAESVRLA DATA SEQUENCE LAGEFVPDAV NVGGGVVNEE VAPWLDLVRK LGVLAGVLSD ELPVSLSVQV DATA SEQUENCE RGELAAEEVE VLRLSALRGL FSAVIEDAVT FVNAPALAAE RGVTAEICKA DATA SEQUENCE SESPNHRSVV DVRAVGADGS VVTVSGTLYG PQLSQKIVQI NGRHFDLRAQ DATA SEQUENCE GINLIIHYVD RPGALGKIGT LLGTAGVNIQ AAQLSEDAEG PGATILLRLD DATA SEQUENCE QDVPDDVRTA IAAAVDAYKL EVVDLS 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 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.860 176.870 -0.017 0.000 1.165 4 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 4 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 5 P HA 0.186 nan 4.420 nan 0.000 0.265 5 P C -0.970 176.307 177.300 -0.038 0.000 1.187 5 P CA -0.093 62.989 63.100 -0.029 0.000 0.766 5 P CB 0.519 32.200 31.700 -0.032 0.000 0.820 6 V N 3.966 123.853 119.914 -0.044 0.000 2.398 6 V HA 0.233 4.354 4.120 0.002 0.000 0.286 6 V C 0.073 176.119 176.094 -0.081 0.000 1.026 6 V CA -0.490 61.776 62.300 -0.057 0.000 0.868 6 V CB 1.944 33.739 31.823 -0.047 0.000 0.982 6 V HN 0.209 nan 8.190 nan 0.000 0.443 7 V N 6.446 126.292 119.914 -0.115 0.000 2.326 7 V HA 0.360 4.482 4.120 0.002 0.000 0.281 7 V C -0.093 175.871 176.094 -0.216 0.000 1.015 7 V CA -0.428 61.779 62.300 -0.154 0.000 0.823 7 V CB 1.591 33.310 31.823 -0.174 0.000 1.009 7 V HN 0.650 nan 8.190 nan 0.000 0.436 8 L N 6.496 127.610 121.223 -0.182 0.000 2.283 8 L HA 0.518 4.860 4.340 0.002 0.000 0.287 8 L C -0.430 176.287 176.870 -0.255 0.000 1.073 8 L CA -0.227 54.493 54.840 -0.201 0.000 0.822 8 L CB 0.919 42.909 42.059 -0.115 0.000 1.186 8 L HN 0.552 nan 8.230 nan 0.000 0.436 9 I N 5.102 125.414 120.570 -0.430 0.000 2.301 9 I HA 0.173 4.344 4.170 0.002 0.000 0.292 9 I C 0.860 176.862 176.117 -0.192 0.000 1.046 9 I CA -0.005 61.042 61.300 -0.422 0.000 1.282 9 I CB 1.614 39.093 38.000 -0.868 0.000 1.409 9 I HN 0.690 nan 8.210 nan 0.000 0.484 10 A N 4.460 127.237 122.820 -0.073 0.000 2.430 10 A HA 0.277 4.598 4.320 0.002 0.000 0.243 10 A C 0.162 177.773 177.584 0.046 0.000 1.254 10 A CA 0.032 52.071 52.037 0.003 0.000 0.914 10 A CB -0.038 18.954 19.000 -0.013 0.000 0.998 10 A HN 0.590 nan 8.150 nan 0.000 0.515 11 D N -0.824 119.614 120.400 0.063 0.000 2.531 11 D HA 0.354 4.996 4.640 0.002 0.000 0.244 11 D C -0.776 175.607 176.300 0.138 0.000 1.090 11 D CA -0.590 53.457 54.000 0.079 0.000 0.989 11 D CB 1.116 41.940 40.800 0.039 0.000 1.433 11 D HN -0.220 nan 8.370 nan 0.000 0.492 12 K N 0.695 121.157 120.400 0.104 0.000 1.948 12 K HA 0.194 4.516 4.320 0.002 0.000 0.231 12 K C -0.698 175.973 176.600 0.117 0.000 1.136 12 K CA 0.410 56.759 56.287 0.104 0.000 1.185 12 K CB -0.736 31.795 32.500 0.051 0.000 1.090 12 K HN 0.202 nan 8.250 nan 0.000 0.302 13 L N 1.721 123.069 121.223 0.209 0.000 2.404 13 L HA 0.444 4.785 4.340 0.002 0.000 0.272 13 L C -0.330 176.715 176.870 0.291 0.000 0.980 13 L CA -0.832 54.130 54.840 0.203 0.000 0.836 13 L CB 1.743 43.906 42.059 0.174 0.000 1.238 13 L HN 0.447 nan 8.230 nan 0.000 0.408 14 A N 5.833 128.750 122.820 0.162 0.000 2.462 14 A HA 0.377 4.698 4.320 0.002 0.000 0.243 14 A C -1.652 176.067 177.584 0.225 0.000 1.076 14 A CA -0.929 51.183 52.037 0.124 0.000 0.773 14 A CB -0.057 18.972 19.000 0.049 0.000 1.010 14 A HN 0.616 nan 8.150 nan 0.000 0.493 15 P HA -0.224 nan 4.420 nan 0.000 0.216 15 P C 1.748 179.149 177.300 0.170 0.000 1.153 15 P CA 2.156 65.460 63.100 0.341 0.000 0.858 15 P CB -0.173 31.663 31.700 0.226 0.000 0.789 16 S N -0.729 115.026 115.700 0.093 0.000 2.353 16 S HA -0.184 4.287 4.470 0.002 0.000 0.222 16 S C 1.974 176.611 174.600 0.062 0.000 1.035 16 S CA 2.201 60.437 58.200 0.059 0.000 1.025 16 S CB -2.278 60.942 63.200 0.032 0.000 0.902 16 S HN 0.103 nan 8.310 nan 0.000 0.440 17 T N 1.728 116.324 114.554 0.069 0.000 2.969 17 T HA -0.021 4.330 4.350 0.002 0.000 0.271 17 T C 1.333 176.067 174.700 0.057 0.000 1.127 17 T CA 1.416 63.552 62.100 0.060 0.000 1.102 17 T CB -0.524 68.383 68.868 0.066 0.000 0.855 17 T HN 0.771 nan 8.240 nan 0.000 0.536 18 V N -2.646 117.313 119.914 0.075 0.000 3.199 18 V HA 0.717 4.839 4.120 0.002 0.000 0.331 18 V C 1.799 177.915 176.094 0.036 0.000 1.446 18 V CA -0.030 62.296 62.300 0.044 0.000 1.120 18 V CB -0.438 31.402 31.823 0.028 0.000 1.051 18 V HN 0.191 nan 8.190 nan 0.000 0.495 19 A N 1.084 123.932 122.820 0.047 0.000 2.194 19 A HA 0.030 4.351 4.320 0.002 0.000 0.220 19 A C 2.319 179.913 177.584 0.017 0.000 1.162 19 A CA 2.137 54.196 52.037 0.036 0.000 0.674 19 A CB -0.484 18.538 19.000 0.035 0.000 0.789 19 A HN 1.284 nan 8.150 nan 0.000 0.470 20 A N -0.258 122.568 122.820 0.009 0.000 2.019 20 A HA 0.121 4.443 4.320 0.002 0.000 0.219 20 A C 1.042 178.621 177.584 -0.008 0.000 1.164 20 A CA 0.563 52.599 52.037 -0.000 0.000 0.644 20 A CB -0.578 18.419 19.000 -0.005 0.000 0.805 20 A HN 0.509 nan 8.150 nan 0.000 0.449 21 L N 1.262 122.477 121.223 -0.013 0.000 2.515 21 L HA 0.327 4.668 4.340 0.002 0.000 0.281 21 L C 1.429 178.292 176.870 -0.011 0.000 1.131 21 L CA -0.359 54.468 54.840 -0.022 0.000 0.905 21 L CB -0.692 41.344 42.059 -0.039 0.000 1.246 21 L HN 0.294 nan 8.230 nan 0.000 0.463 22 G N 2.412 111.207 108.800 -0.009 0.000 2.492 22 G HA2 -0.148 3.813 3.960 0.002 0.000 0.308 22 G HA3 -0.148 3.813 3.960 0.002 0.000 0.308 22 G C 0.580 175.479 174.900 -0.001 0.000 1.323 22 G CA 0.082 45.180 45.100 -0.003 0.000 1.132 22 G HN 0.860 nan 8.290 nan 0.000 0.630 23 D N -1.153 119.248 120.400 0.002 0.000 2.434 23 D HA 0.066 4.708 4.640 0.002 0.000 0.232 23 D C 1.135 177.435 176.300 -0.000 0.000 1.166 23 D CA -0.041 53.962 54.000 0.004 0.000 0.830 23 D CB 0.681 41.486 40.800 0.009 0.000 0.960 23 D HN 0.157 nan 8.370 nan 0.000 0.497 24 Q N 0.271 120.067 119.800 -0.005 0.000 2.360 24 Q HA 0.143 4.485 4.340 0.002 0.000 0.202 24 Q C 0.312 176.304 176.000 -0.013 0.000 0.915 24 Q CA -0.028 55.770 55.803 -0.008 0.000 0.943 24 Q CB 0.768 29.501 28.738 -0.010 0.000 1.064 24 Q HN 0.452 nan 8.270 nan 0.000 0.511 25 V N -3.310 116.594 119.914 -0.016 0.000 2.876 25 V HA 0.564 4.685 4.120 0.002 0.000 0.312 25 V C -0.771 175.309 176.094 -0.023 0.000 1.085 25 V CA -1.160 61.124 62.300 -0.026 0.000 0.945 25 V CB 2.371 34.170 31.823 -0.041 0.000 1.017 25 V HN 0.012 nan 8.190 nan 0.000 0.428 26 E N 2.346 122.529 120.200 -0.028 0.000 2.081 26 E HA 0.551 4.902 4.350 0.002 0.000 0.281 26 E C -1.284 175.284 176.600 -0.053 0.000 0.986 26 E CA -0.554 55.834 56.400 -0.021 0.000 0.796 26 E CB 1.765 31.458 29.700 -0.011 0.000 1.085 26 E HN 0.758 nan 8.360 nan 0.000 0.398 27 V N 5.982 125.860 119.914 -0.060 0.000 2.394 27 V HA 0.459 4.580 4.120 0.002 0.000 0.282 27 V C 0.158 176.151 176.094 -0.168 0.000 1.031 27 V CA -0.647 61.543 62.300 -0.183 0.000 0.881 27 V CB 0.866 32.556 31.823 -0.222 0.000 0.982 27 V HN 0.651 nan 8.190 nan 0.000 0.451 28 R N 3.291 123.639 120.500 -0.255 0.000 2.888 28 R HA 0.660 5.002 4.340 0.002 0.000 0.266 28 R C -1.457 174.708 176.300 -0.225 0.000 1.020 28 R CA -0.882 55.182 56.100 -0.061 0.000 0.963 28 R CB 2.144 32.465 30.300 0.035 0.000 1.197 28 R HN 0.567 nan 8.270 nan 0.000 0.481 29 W N 0.670 121.966 121.300 -0.006 0.000 2.647 29 W HA 0.654 5.316 4.660 0.002 0.000 0.353 29 W C -0.659 175.856 176.519 -0.006 0.000 1.080 29 W CA -0.853 56.488 57.345 -0.006 0.000 1.208 29 W CB 2.327 31.783 29.460 -0.006 0.000 1.396 29 W HN 0.276 nan 8.180 nan 0.000 0.573 30 V N 1.529 121.552 119.914 0.182 0.000 3.147 30 V HA 0.156 4.277 4.120 0.002 0.000 0.306 30 V C -1.128 175.030 176.094 0.106 0.000 1.209 30 V CA -0.554 61.814 62.300 0.114 0.000 1.023 30 V CB 2.199 34.052 31.823 0.049 0.000 1.059 30 V HN 0.458 nan 8.190 nan 0.000 0.435 31 D N 3.322 123.767 120.400 0.076 0.000 2.455 31 D HA 0.319 4.960 4.640 0.002 0.000 0.234 31 D C 1.264 177.588 176.300 0.041 0.000 1.224 31 D CA 0.940 54.975 54.000 0.059 0.000 0.999 31 D CB 0.852 41.678 40.800 0.042 0.000 1.072 31 D HN 0.722 nan 8.370 nan 0.000 0.514 32 G N 4.105 112.929 108.800 0.041 0.000 2.529 32 G HA2 -0.221 3.740 3.960 0.002 0.000 0.219 32 G HA3 -0.221 3.740 3.960 0.002 0.000 0.219 32 G C -0.658 174.252 174.900 0.017 0.000 1.177 32 G CA 0.259 45.373 45.100 0.023 0.000 0.773 32 G HN 0.496 nan 8.290 nan 0.000 0.573 33 P HA 0.046 nan 4.420 nan 0.000 0.236 33 P C -0.164 177.143 177.300 0.012 0.000 1.172 33 P CA 0.585 63.692 63.100 0.013 0.000 0.759 33 P CB 0.192 31.900 31.700 0.013 0.000 0.843 34 D N 0.601 121.010 120.400 0.015 0.000 2.467 34 D HA 0.075 4.716 4.640 0.002 0.000 0.220 34 D C 1.140 177.446 176.300 0.011 0.000 1.103 34 D CA -0.447 53.561 54.000 0.013 0.000 0.886 34 D CB 0.767 41.576 40.800 0.016 0.000 1.025 34 D HN -0.257 nan 8.370 nan 0.000 0.514 35 R N 2.527 123.031 120.500 0.008 0.000 2.097 35 R HA -0.151 4.191 4.340 0.002 0.000 0.236 35 R C 1.159 177.462 176.300 0.006 0.000 1.135 35 R CA 1.134 57.238 56.100 0.006 0.000 0.934 35 R CB -0.547 29.756 30.300 0.005 0.000 0.846 35 R HN 0.543 nan 8.270 nan 0.000 0.431 36 D N 0.717 121.121 120.400 0.007 0.000 2.133 36 D HA -0.160 4.481 4.640 0.002 0.000 0.195 36 D C 1.884 178.189 176.300 0.008 0.000 0.997 36 D CA 1.339 55.343 54.000 0.007 0.000 0.840 36 D CB -0.025 40.779 40.800 0.007 0.000 0.947 36 D HN 0.288 nan 8.370 nan 0.000 0.452 37 K N -0.107 120.300 120.400 0.011 0.000 2.007 37 K HA -0.085 4.237 4.320 0.002 0.000 0.206 37 K C 2.097 178.705 176.600 0.013 0.000 1.047 37 K CA 0.196 56.491 56.287 0.014 0.000 0.937 37 K CB -0.315 32.196 32.500 0.019 0.000 0.718 37 K HN -0.023 nan 8.250 nan 0.000 0.438 38 L N 1.519 122.748 121.223 0.011 0.000 1.991 38 L HA -0.261 4.080 4.340 0.002 0.000 0.221 38 L C 1.921 178.792 176.870 0.001 0.000 1.079 38 L CA 1.772 56.616 54.840 0.006 0.000 0.778 38 L CB -0.652 41.409 42.059 0.005 0.000 0.893 38 L HN 0.121 nan 8.230 nan 0.000 0.437 39 L N -0.282 120.942 121.223 0.002 0.000 2.081 39 L HA -0.184 4.157 4.340 0.002 0.000 0.212 39 L C 2.720 179.590 176.870 -0.000 0.000 1.080 39 L CA 2.054 56.894 54.840 -0.000 0.000 0.754 39 L CB -2.181 39.878 42.059 0.001 0.000 0.893 39 L HN 0.493 nan 8.230 nan 0.000 0.433 40 A N -0.939 121.883 122.820 0.003 0.000 1.929 40 A HA -0.007 4.315 4.320 0.002 0.000 0.216 40 A C 2.452 180.037 177.584 0.002 0.000 1.176 40 A CA 1.437 53.476 52.037 0.003 0.000 0.628 40 A CB -0.503 18.501 19.000 0.006 0.000 0.816 40 A HN 0.372 nan 8.150 nan 0.000 0.444 41 A N -0.082 122.739 122.820 0.002 0.000 1.970 41 A HA 0.115 4.436 4.320 0.002 0.000 0.216 41 A C 2.233 179.812 177.584 -0.010 0.000 1.170 41 A CA 1.589 53.626 52.037 -0.000 0.000 0.645 41 A CB -0.966 18.036 19.000 0.004 0.000 0.816 41 A HN 1.082 nan 8.150 nan 0.000 0.447 42 V N -2.839 117.068 119.914 -0.012 0.000 2.548 42 V HA -0.033 4.089 4.120 0.002 0.000 0.249 42 V C -0.341 175.742 176.094 -0.018 0.000 1.055 42 V CA 1.482 63.771 62.300 -0.019 0.000 1.065 42 V CB -2.000 29.811 31.823 -0.018 0.000 0.681 42 V HN 0.279 nan 8.190 nan 0.000 0.462 43 P HA -0.220 nan 4.420 nan 0.000 0.218 43 P C 1.319 178.611 177.300 -0.014 0.000 1.152 43 P CA 2.377 65.470 63.100 -0.011 0.000 0.857 43 P CB -0.194 31.502 31.700 -0.007 0.000 0.787 44 E N -1.651 118.539 120.200 -0.016 0.000 2.496 44 E HA 0.396 4.747 4.350 0.002 0.000 0.200 44 E C -0.099 176.485 176.600 -0.026 0.000 1.016 44 E CA -0.521 55.868 56.400 -0.018 0.000 0.962 44 E CB 0.122 29.814 29.700 -0.013 0.000 1.071 44 E HN -0.012 nan 8.360 nan 0.000 0.457 45 A N 1.202 124.003 122.820 -0.031 0.000 2.362 45 A HA 0.175 4.496 4.320 0.002 0.000 0.276 45 A C -0.141 177.419 177.584 -0.041 0.000 1.153 45 A CA -0.461 51.550 52.037 -0.043 0.000 0.813 45 A CB 0.422 19.392 19.000 -0.049 0.000 1.081 45 A HN 0.159 nan 8.150 nan 0.000 0.507 46 D N 1.155 121.528 120.400 -0.046 0.000 2.289 46 D HA 0.350 4.992 4.640 0.002 0.000 0.207 46 D C 0.585 176.855 176.300 -0.050 0.000 0.966 46 D CA 1.679 55.654 54.000 -0.042 0.000 0.868 46 D CB 0.295 41.071 40.800 -0.040 0.000 0.943 46 D HN 0.713 nan 8.370 nan 0.000 0.514 47 A N 0.177 122.959 122.820 -0.063 0.000 2.549 47 A HA 0.647 4.968 4.320 0.002 0.000 0.297 47 A C -1.996 175.538 177.584 -0.084 0.000 1.061 47 A CA -0.647 51.347 52.037 -0.072 0.000 0.690 47 A CB 1.376 20.328 19.000 -0.080 0.000 1.287 47 A HN 0.066 nan 8.150 nan 0.000 0.402 48 L N 2.406 123.582 121.223 -0.079 0.000 2.404 48 L HA 0.622 4.963 4.340 0.002 0.000 0.272 48 L C -1.547 175.272 176.870 -0.084 0.000 0.980 48 L CA -0.237 54.553 54.840 -0.083 0.000 0.836 48 L CB 1.321 43.344 42.059 -0.060 0.000 1.238 48 L HN 0.642 nan 8.230 nan 0.000 0.408 49 L N 6.026 127.185 121.223 -0.107 0.000 2.295 49 L HA 0.720 5.061 4.340 0.002 0.000 0.285 49 L C -0.593 176.236 176.870 -0.069 0.000 1.035 49 L CA -0.700 54.085 54.840 -0.091 0.000 0.806 49 L CB 1.694 43.684 42.059 -0.116 0.000 1.214 49 L HN 0.408 nan 8.230 nan 0.000 0.426 50 V N 3.675 123.563 119.914 -0.043 0.000 3.130 50 V HA 0.470 4.591 4.120 0.002 0.000 0.310 50 V C 0.305 176.391 176.094 -0.013 0.000 1.158 50 V CA -0.509 61.776 62.300 -0.025 0.000 1.029 50 V CB 2.964 34.774 31.823 -0.022 0.000 1.057 50 V HN 0.773 nan 8.190 nan 0.000 0.436 51 R N 0.527 121.026 120.500 -0.003 0.000 2.006 51 R HA 0.231 4.572 4.340 0.002 0.000 0.181 51 R C 1.219 177.515 176.300 -0.007 0.000 1.617 51 R CA 1.185 57.284 56.100 -0.002 0.000 1.276 51 R CB 0.565 30.870 30.300 0.008 0.000 1.107 51 R HN 0.850 nan 8.270 nan 0.000 0.474 52 S N -1.943 113.753 115.700 -0.005 0.000 2.551 52 S HA 0.258 4.729 4.470 0.002 0.000 0.276 52 S C 1.146 175.743 174.600 -0.005 0.000 1.051 52 S CA 0.006 58.200 58.200 -0.009 0.000 1.377 52 S CB 0.917 64.105 63.200 -0.019 0.000 1.208 52 S HN 0.321 nan 8.310 nan 0.000 0.656 53 A N 2.216 125.036 122.820 0.000 0.000 1.929 53 A HA 0.280 4.601 4.320 0.002 0.000 0.216 53 A C 1.266 178.853 177.584 0.005 0.000 1.176 53 A CA 1.226 53.265 52.037 0.004 0.000 0.628 53 A CB -0.909 18.097 19.000 0.009 0.000 0.816 53 A HN 0.461 nan 8.150 nan 0.000 0.444 54 T N 1.644 116.201 114.554 0.005 0.000 2.884 54 T HA 0.400 4.751 4.350 0.002 0.000 0.298 54 T C 0.302 175.002 174.700 -0.000 0.000 0.998 54 T CA 0.526 62.628 62.100 0.003 0.000 1.124 54 T CB 0.832 69.701 68.868 0.001 0.000 0.931 54 T HN 0.476 nan 8.240 nan 0.000 0.531 55 T N 0.187 114.741 114.554 0.000 0.000 2.743 55 T HA 0.438 4.790 4.350 0.002 0.000 0.292 55 T C -0.064 174.634 174.700 -0.003 0.000 0.972 55 T CA -0.854 61.245 62.100 -0.001 0.000 0.967 55 T CB 0.949 69.818 68.868 0.002 0.000 0.926 55 T HN 0.429 nan 8.240 nan 0.000 0.459 56 V N 3.909 123.820 119.914 -0.005 0.000 2.339 56 V HA 0.398 4.519 4.120 0.002 0.000 0.261 56 V C -0.692 175.399 176.094 -0.006 0.000 1.058 56 V CA -0.297 61.998 62.300 -0.008 0.000 0.897 56 V CB 0.186 32.001 31.823 -0.013 0.000 1.052 56 V HN 0.985 nan 8.190 nan 0.000 0.480 57 D N 4.267 124.664 120.400 -0.004 0.000 2.442 57 D HA 0.667 5.308 4.640 0.002 0.000 0.254 57 D C 1.012 177.310 176.300 -0.003 0.000 1.069 57 D CA 0.267 54.266 54.000 -0.002 0.000 1.017 57 D CB 2.419 43.218 40.800 -0.001 0.000 1.172 57 D HN 0.545 nan 8.370 nan 0.000 0.561 58 A N 0.632 123.451 122.820 -0.001 0.000 1.859 58 A HA -0.230 4.092 4.320 0.002 0.000 0.217 58 A C 1.837 179.419 177.584 -0.002 0.000 1.198 58 A CA 2.213 54.250 52.037 -0.001 0.000 0.629 58 A CB -0.760 18.240 19.000 0.000 0.000 0.830 58 A HN 0.771 nan 8.150 nan 0.000 0.446 59 E N -0.344 119.856 120.200 -0.001 0.000 2.049 59 E HA -0.194 4.158 4.350 0.002 0.000 0.198 59 E C 1.959 178.557 176.600 -0.003 0.000 1.007 59 E CA 1.897 58.296 56.400 -0.002 0.000 0.809 59 E CB -0.250 29.449 29.700 -0.001 0.000 0.749 59 E HN 0.322 nan 8.360 nan 0.000 0.450 60 V N 1.393 121.304 119.914 -0.004 0.000 2.231 60 V HA -0.316 3.805 4.120 0.002 0.000 0.248 60 V C 2.560 178.649 176.094 -0.009 0.000 1.054 60 V CA 2.045 64.341 62.300 -0.007 0.000 1.015 60 V CB -0.587 31.232 31.823 -0.008 0.000 0.638 60 V HN 0.366 nan 8.190 nan 0.000 0.444 61 L N -0.044 121.174 121.223 -0.009 0.000 2.127 61 L HA -0.192 4.149 4.340 0.002 0.000 0.211 61 L C 2.595 179.460 176.870 -0.008 0.000 1.089 61 L CA 1.566 56.400 54.840 -0.010 0.000 0.757 61 L CB -0.740 41.314 42.059 -0.009 0.000 0.899 61 L HN 0.397 nan 8.230 nan 0.000 0.434 62 A N -0.271 122.545 122.820 -0.006 0.000 1.970 62 A HA 0.051 4.372 4.320 0.002 0.000 0.216 62 A C 2.469 180.050 177.584 -0.005 0.000 1.170 62 A CA 1.139 53.173 52.037 -0.005 0.000 0.645 62 A CB -0.452 18.546 19.000 -0.003 0.000 0.816 62 A HN 0.351 nan 8.150 nan 0.000 0.447 63 A N -0.597 122.219 122.820 -0.006 0.000 2.121 63 A HA 0.420 4.742 4.320 0.002 0.000 0.218 63 A C 1.396 178.975 177.584 -0.008 0.000 1.154 63 A CA 1.164 53.198 52.037 -0.006 0.000 0.679 63 A CB -0.475 18.521 19.000 -0.005 0.000 0.795 63 A HN 1.067 nan 8.150 nan 0.000 0.458 64 A N 0.239 123.053 122.820 -0.010 0.000 2.937 64 A HA 0.598 4.920 4.320 0.002 0.000 0.338 64 A C -1.800 175.776 177.584 -0.013 0.000 1.273 64 A CA -1.187 50.842 52.037 -0.014 0.000 0.937 64 A CB 0.337 19.326 19.000 -0.018 0.000 1.133 64 A HN 0.181 nan 8.150 nan 0.000 0.491 65 P HA 0.056 nan 4.420 nan 0.000 0.241 65 P C 0.794 178.087 177.300 -0.012 0.000 1.191 65 P CA 0.829 63.923 63.100 -0.010 0.000 0.771 65 P CB 0.256 31.952 31.700 -0.007 0.000 0.929 66 K N -0.807 119.584 120.400 -0.015 0.000 2.358 66 K HA 0.196 4.518 4.320 0.002 0.000 0.197 66 K C 0.581 177.169 176.600 -0.021 0.000 1.025 66 K CA -0.210 56.067 56.287 -0.016 0.000 1.104 66 K CB -0.079 32.411 32.500 -0.017 0.000 0.855 66 K HN 0.089 nan 8.250 nan 0.000 0.531 67 L N 1.347 122.557 121.223 -0.022 0.000 2.456 67 L HA -0.017 4.324 4.340 0.002 0.000 0.272 67 L C 0.649 177.503 176.870 -0.028 0.000 1.189 67 L CA 0.699 55.522 54.840 -0.028 0.000 0.846 67 L CB 0.706 42.749 42.059 -0.027 0.000 1.111 67 L HN 0.200 nan 8.230 nan 0.000 0.475 68 K N 4.306 124.685 120.400 -0.035 0.000 2.462 68 K HA 0.371 4.693 4.320 0.002 0.000 0.201 68 K C -0.567 176.007 176.600 -0.044 0.000 1.268 68 K CA 0.215 56.480 56.287 -0.036 0.000 0.933 68 K CB 1.008 33.487 32.500 -0.035 0.000 1.162 68 K HN 0.441 nan 8.250 nan 0.000 0.527 69 I N 1.175 121.715 120.570 -0.050 0.000 2.586 69 I HA 0.291 4.462 4.170 0.002 0.000 0.288 69 I C -0.828 175.255 176.117 -0.057 0.000 1.147 69 I CA -0.977 60.288 61.300 -0.059 0.000 1.047 69 I CB 1.922 39.881 38.000 -0.069 0.000 1.244 69 I HN -0.324 nan 8.210 nan 0.000 0.429 70 V N 4.774 124.657 119.914 -0.052 0.000 2.370 70 V HA 0.693 4.815 4.120 0.002 0.000 0.279 70 V C 0.540 176.603 176.094 -0.051 0.000 1.029 70 V CA -0.256 62.015 62.300 -0.048 0.000 0.870 70 V CB 1.569 33.369 31.823 -0.037 0.000 0.984 70 V HN 0.893 nan 8.190 nan 0.000 0.451 71 A N 6.040 128.827 122.820 -0.054 0.000 2.318 71 A HA 0.752 5.073 4.320 0.002 0.000 0.324 71 A C -0.204 177.355 177.584 -0.042 0.000 1.170 71 A CA -0.735 51.270 52.037 -0.053 0.000 0.810 71 A CB 1.025 19.988 19.000 -0.061 0.000 1.198 71 A HN 0.611 nan 8.150 nan 0.000 0.484 72 R N 2.562 123.042 120.500 -0.033 0.000 2.215 72 R HA 0.448 4.789 4.340 0.002 0.000 0.336 72 R C -0.064 176.224 176.300 -0.020 0.000 0.996 72 R CA -0.175 55.911 56.100 -0.023 0.000 0.847 72 R CB 1.013 31.303 30.300 -0.017 0.000 1.127 72 R HN 0.823 nan 8.270 nan 0.000 0.465 73 A N 3.155 125.965 122.820 -0.017 0.000 2.899 73 A HA 0.462 4.784 4.320 0.002 0.000 0.287 73 A C 0.422 178.002 177.584 -0.006 0.000 1.715 73 A CA 0.671 52.702 52.037 -0.010 0.000 1.393 73 A CB -0.409 18.589 19.000 -0.004 0.000 1.070 73 A HN 0.845 nan 8.150 nan 0.000 0.587 74 G N -0.568 108.228 108.800 -0.005 0.000 2.315 74 G HA2 0.332 4.294 3.960 0.002 0.000 0.294 74 G HA3 0.332 4.294 3.960 0.002 0.000 0.294 74 G C 0.006 174.906 174.900 0.001 0.000 1.300 74 G CA 0.006 45.104 45.100 -0.004 0.000 0.843 74 G HN 0.475 nan 8.290 nan 0.000 0.527 75 V N 0.464 120.381 119.914 0.005 0.000 2.795 75 V HA 0.342 4.463 4.120 0.002 0.000 0.243 75 V C 2.006 178.107 176.094 0.013 0.000 1.069 75 V CA 1.623 63.930 62.300 0.012 0.000 1.089 75 V CB -0.138 31.697 31.823 0.020 0.000 0.756 75 V HN 1.089 nan 8.190 nan 0.000 0.471 76 G N -0.648 108.158 108.800 0.010 0.000 2.572 76 G HA2 0.424 4.385 3.960 0.002 0.000 0.261 76 G HA3 0.424 4.385 3.960 0.002 0.000 0.261 76 G C 0.080 174.984 174.900 0.008 0.000 1.197 76 G CA -0.244 44.864 45.100 0.013 0.000 0.870 76 G HN 0.272 nan 8.290 nan 0.000 0.548 77 L N -0.199 121.031 121.223 0.012 0.000 3.086 77 L HA 0.183 4.524 4.340 0.002 0.000 0.274 77 L C 1.340 178.215 176.870 0.009 0.000 1.184 77 L CA -0.099 54.746 54.840 0.008 0.000 1.002 77 L CB 0.535 42.601 42.059 0.011 0.000 1.383 77 L HN 0.474 nan 8.230 nan 0.000 0.582 78 D N 1.618 122.025 120.400 0.012 0.000 2.221 78 D HA -0.168 4.474 4.640 0.002 0.000 0.204 78 D C 1.226 177.532 176.300 0.009 0.000 0.982 78 D CA 1.267 55.275 54.000 0.013 0.000 0.857 78 D CB -0.057 40.755 40.800 0.019 0.000 0.934 78 D HN 0.509 nan 8.370 nan 0.000 0.475 79 N N 0.619 119.322 118.700 0.004 0.000 2.370 79 N HA -0.034 4.708 4.740 0.002 0.000 0.198 79 N C -0.230 175.280 175.510 -0.000 0.000 1.156 79 N CA 0.084 53.135 53.050 0.002 0.000 0.839 79 N CB 0.430 38.916 38.487 -0.001 0.000 0.989 79 N HN -0.047 nan 8.380 nan 0.000 0.468 80 V N 0.492 120.407 119.914 0.001 0.000 2.638 80 V HA 0.194 4.315 4.120 0.002 0.000 0.306 80 V C -0.930 175.165 176.094 0.002 0.000 1.052 80 V CA -1.078 61.221 62.300 -0.001 0.000 0.885 80 V CB 1.998 33.818 31.823 -0.005 0.000 0.999 80 V HN -0.005 nan 8.190 nan 0.000 0.424 81 D N 3.484 123.884 120.400 0.001 0.000 2.500 81 D HA 0.291 4.932 4.640 0.002 0.000 0.219 81 D C 0.910 177.211 176.300 0.002 0.000 1.137 81 D CA -0.126 53.875 54.000 0.002 0.000 0.946 81 D CB 1.322 42.123 40.800 0.002 0.000 1.022 81 D HN 0.215 nan 8.370 nan 0.000 0.518 82 V N 3.213 123.129 119.914 0.004 0.000 2.220 82 V HA -0.271 3.851 4.120 0.002 0.000 0.246 82 V C 1.865 177.962 176.094 0.006 0.000 1.049 82 V CA 1.733 64.036 62.300 0.005 0.000 1.003 82 V CB -0.543 31.287 31.823 0.010 0.000 0.634 82 V HN 0.448 nan 8.190 nan 0.000 0.444 83 D N 0.371 120.776 120.400 0.009 0.000 2.200 83 D HA -0.251 4.390 4.640 0.002 0.000 0.192 83 D C 2.127 178.430 176.300 0.006 0.000 1.008 83 D CA 2.014 56.019 54.000 0.009 0.000 0.872 83 D CB -0.424 40.381 40.800 0.008 0.000 0.923 83 D HN 0.498 nan 8.370 nan 0.000 0.447 84 A N 0.603 123.425 122.820 0.003 0.000 1.873 84 A HA 0.015 4.336 4.320 0.002 0.000 0.215 84 A C 2.337 179.921 177.584 -0.001 0.000 1.186 84 A CA 2.354 54.392 52.037 0.001 0.000 0.616 84 A CB -0.847 18.153 19.000 0.000 0.000 0.823 84 A HN 0.249 nan 8.150 nan 0.000 0.442 85 A N -0.972 121.847 122.820 -0.002 0.000 1.908 85 A HA -0.110 4.211 4.320 0.002 0.000 0.218 85 A C 2.290 179.872 177.584 -0.003 0.000 1.181 85 A CA 2.369 54.403 52.037 -0.006 0.000 0.627 85 A CB -1.394 17.599 19.000 -0.010 0.000 0.818 85 A HN 0.430 nan 8.150 nan 0.000 0.445 86 T N 0.292 114.847 114.554 0.001 0.000 2.699 86 T HA -0.105 4.247 4.350 0.002 0.000 0.268 86 T C 2.055 176.760 174.700 0.007 0.000 1.036 86 T CA 1.771 63.875 62.100 0.006 0.000 1.147 86 T CB -0.388 68.489 68.868 0.014 0.000 0.862 86 T HN 0.614 nan 8.240 nan 0.000 0.446 87 A N 0.842 123.666 122.820 0.005 0.000 2.167 87 A HA 0.079 4.400 4.320 0.002 0.000 0.214 87 A C 2.106 179.692 177.584 0.003 0.000 1.151 87 A CA 0.614 52.654 52.037 0.005 0.000 0.735 87 A CB -0.171 18.832 19.000 0.004 0.000 0.802 87 A HN 0.341 nan 8.150 nan 0.000 0.467 88 R N -1.195 119.305 120.500 0.000 0.000 2.427 88 R HA 0.211 4.552 4.340 0.002 0.000 0.262 88 R C 1.054 177.352 176.300 -0.003 0.000 0.943 88 R CA 0.485 56.584 56.100 -0.002 0.000 1.081 88 R CB 0.078 30.375 30.300 -0.004 0.000 1.166 88 R HN 0.593 nan 8.270 nan 0.000 0.534 89 G N 1.455 110.254 108.800 -0.001 0.000 2.153 89 G HA2 -0.265 3.697 3.960 0.002 0.000 0.252 89 G HA3 -0.265 3.697 3.960 0.002 0.000 0.252 89 G C -0.001 174.893 174.900 -0.010 0.000 0.994 89 G CA 0.491 45.590 45.100 -0.002 0.000 0.698 89 G HN 0.303 nan 8.290 nan 0.000 0.521 90 V N 0.779 120.685 119.914 -0.013 0.000 2.350 90 V HA 0.738 4.859 4.120 0.002 0.000 0.276 90 V C 0.641 176.718 176.094 -0.028 0.000 1.028 90 V CA -1.152 61.135 62.300 -0.022 0.000 0.860 90 V CB 1.196 33.005 31.823 -0.022 0.000 0.990 90 V HN 0.719 nan 8.190 nan 0.000 0.453 91 L N 8.014 129.213 121.223 -0.040 0.000 2.562 91 L HA 0.287 4.629 4.340 0.002 0.000 0.271 91 L C -0.020 176.814 176.870 -0.060 0.000 1.167 91 L CA 0.959 55.764 54.840 -0.058 0.000 0.917 91 L CB 0.725 42.737 42.059 -0.077 0.000 1.187 91 L HN 0.598 nan 8.230 nan 0.000 0.482 92 V N 6.100 125.982 119.914 -0.053 0.000 2.539 92 V HA 0.578 4.700 4.120 0.002 0.000 0.292 92 V C 0.104 176.158 176.094 -0.067 0.000 1.045 92 V CA -0.537 61.734 62.300 -0.049 0.000 0.945 92 V CB 1.573 33.381 31.823 -0.026 0.000 0.993 92 V HN 0.591 nan 8.190 nan 0.000 0.464 93 V N 3.801 123.676 119.914 -0.065 0.000 3.078 93 V HA 0.712 4.833 4.120 0.002 0.000 0.311 93 V C -0.843 175.224 176.094 -0.045 0.000 1.138 93 V CA -0.460 61.795 62.300 -0.075 0.000 1.007 93 V CB 2.532 34.292 31.823 -0.104 0.000 1.045 93 V HN 1.149 nan 8.190 nan 0.000 0.432 94 N N 2.454 121.134 118.700 -0.034 0.000 3.439 94 N HA 0.695 5.437 4.740 0.002 0.000 0.343 94 N C -0.861 174.638 175.510 -0.018 0.000 1.597 94 N CA -0.077 52.962 53.050 -0.020 0.000 0.733 94 N CB 1.791 40.276 38.487 -0.005 0.000 1.973 94 N HN 0.781 nan 8.380 nan 0.000 0.646 95 A N 0.294 123.110 122.820 -0.007 0.000 2.938 95 A HA 0.465 4.787 4.320 0.002 0.000 0.344 95 A C -1.914 175.674 177.584 0.008 0.000 1.142 95 A CA -1.228 50.808 52.037 -0.002 0.000 0.841 95 A CB 0.394 19.394 19.000 -0.001 0.000 1.083 95 A HN 0.610 nan 8.150 nan 0.000 0.479 96 P HA -0.083 nan 4.420 nan 0.000 0.223 96 P C 0.977 178.283 177.300 0.011 0.000 1.151 96 P CA 1.639 64.746 63.100 0.013 0.000 0.787 96 P CB 0.109 31.819 31.700 0.017 0.000 0.788 97 T N -4.305 110.258 114.554 0.015 0.000 3.182 97 T HA 0.166 4.517 4.350 0.002 0.000 0.277 97 T C 1.380 176.105 174.700 0.042 0.000 1.013 97 T CA 0.280 62.391 62.100 0.018 0.000 0.900 97 T CB -0.764 68.113 68.868 0.015 0.000 1.098 97 T HN 0.072 nan 8.240 nan 0.000 0.543 98 S N 2.046 117.768 115.700 0.037 0.000 2.496 98 S HA -0.053 4.419 4.470 0.002 0.000 0.224 98 S C 1.673 176.309 174.600 0.059 0.000 0.996 98 S CA 0.550 58.778 58.200 0.047 0.000 0.927 98 S CB -0.469 62.748 63.200 0.028 0.000 0.774 98 S HN 0.661 nan 8.310 nan 0.000 0.524 99 N N 1.997 120.726 118.700 0.048 0.000 2.184 99 N HA 0.092 4.834 4.740 0.002 0.000 0.206 99 N C 1.521 177.061 175.510 0.049 0.000 1.151 99 N CA 0.413 53.494 53.050 0.051 0.000 0.878 99 N CB -0.694 37.815 38.487 0.037 0.000 1.014 99 N HN 0.662 nan 8.380 nan 0.000 0.512 100 I N -0.854 119.729 120.570 0.022 0.000 2.163 100 I HA -0.274 3.898 4.170 0.002 0.000 0.243 100 I C 1.885 177.938 176.117 -0.108 0.000 1.085 100 I CA 1.341 62.597 61.300 -0.073 0.000 1.347 100 I CB -0.760 37.142 38.000 -0.164 0.000 1.044 100 I HN -0.019 nan 8.210 nan 0.000 0.408 101 H N 1.109 120.186 119.070 0.011 0.000 2.293 101 H HA -0.089 4.468 4.556 0.002 0.000 0.300 101 H C 2.713 178.060 175.328 0.032 0.000 1.082 101 H CA 1.879 57.937 56.048 0.016 0.000 1.308 101 H CB -0.270 29.500 29.762 0.014 0.000 1.375 101 H HN 0.406 nan 8.280 nan 0.000 0.495 102 S N 0.265 116.058 115.700 0.155 0.000 2.383 102 S HA -0.139 4.332 4.470 0.002 0.000 0.229 102 S C 2.372 177.035 174.600 0.105 0.000 1.030 102 S CA 0.960 59.224 58.200 0.107 0.000 1.002 102 S CB -0.171 63.072 63.200 0.072 0.000 0.829 102 S HN 0.528 nan 8.310 nan 0.000 0.467 103 A N 1.049 123.921 122.820 0.086 0.000 1.898 103 A HA 0.293 4.615 4.320 0.002 0.000 0.214 103 A C 2.325 179.979 177.584 0.117 0.000 1.183 103 A CA 1.422 53.522 52.037 0.105 0.000 0.622 103 A CB -1.003 18.045 19.000 0.081 0.000 0.824 103 A HN 0.504 nan 8.150 nan 0.000 0.444 104 A N 0.113 122.962 122.820 0.049 0.000 1.902 104 A HA -0.185 4.136 4.320 0.002 0.000 0.217 104 A C 1.896 179.517 177.584 0.062 0.000 1.181 104 A CA 1.709 53.758 52.037 0.020 0.000 0.623 104 A CB -0.557 18.405 19.000 -0.063 0.000 0.818 104 A HN 0.630 nan 8.150 nan 0.000 0.443 105 E N -1.477 118.776 120.200 0.088 0.000 2.077 105 E HA -0.243 4.108 4.350 0.002 0.000 0.193 105 E C 1.995 178.664 176.600 0.115 0.000 0.989 105 E CA 1.403 57.861 56.400 0.097 0.000 0.800 105 E CB -0.298 29.470 29.700 0.112 0.000 0.746 105 E HN 0.820 nan 8.360 nan 0.000 0.452 106 H N 0.493 119.591 119.070 0.046 0.000 2.352 106 H HA -0.092 4.466 4.556 0.002 0.000 0.299 106 H C 1.913 177.262 175.328 0.036 0.000 1.097 106 H CA 1.753 57.827 56.048 0.044 0.000 1.311 106 H CB -0.208 29.585 29.762 0.052 0.000 1.377 106 H HN 0.188 nan 8.280 nan 0.000 0.504 107 A N 0.761 123.633 122.820 0.088 0.000 1.873 107 A HA -0.179 4.142 4.320 0.002 0.000 0.218 107 A C 2.371 179.932 177.584 -0.037 0.000 1.193 107 A CA 1.701 53.761 52.037 0.038 0.000 0.629 107 A CB -0.889 18.205 19.000 0.157 0.000 0.826 107 A HN 0.403 nan 8.150 nan 0.000 0.447 108 L N -0.669 120.535 121.223 -0.032 0.000 2.012 108 L HA -0.233 4.109 4.340 0.002 0.000 0.210 108 L C 3.082 179.889 176.870 -0.104 0.000 1.073 108 L CA 2.234 57.020 54.840 -0.090 0.000 0.748 108 L CB -1.810 40.211 42.059 -0.063 0.000 0.891 108 L HN 0.490 nan 8.230 nan 0.000 0.431 109 A N -0.383 122.379 122.820 -0.098 0.000 1.859 109 A HA -0.239 4.082 4.320 0.002 0.000 0.217 109 A C 2.218 179.708 177.584 -0.158 0.000 1.198 109 A CA 1.737 53.700 52.037 -0.123 0.000 0.629 109 A CB -0.808 18.100 19.000 -0.153 0.000 0.830 109 A HN 0.319 nan 8.150 nan 0.000 0.446 110 L N -0.741 120.335 121.223 -0.244 0.000 2.043 110 L HA -0.183 4.158 4.340 0.002 0.000 0.212 110 L C 2.518 179.340 176.870 -0.079 0.000 1.075 110 L CA 1.930 56.666 54.840 -0.173 0.000 0.752 110 L CB -1.005 40.940 42.059 -0.190 0.000 0.891 110 L HN 0.546 nan 8.230 nan 0.000 0.432 111 L N -1.515 119.661 121.223 -0.078 0.000 2.017 111 L HA -0.239 4.102 4.340 0.002 0.000 0.208 111 L C 2.364 179.215 176.870 -0.032 0.000 1.073 111 L CA 1.390 56.206 54.840 -0.040 0.000 0.745 111 L CB -0.083 41.912 42.059 -0.106 0.000 0.894 111 L HN 0.196 nan 8.230 nan 0.000 0.432 112 L N -0.570 120.607 121.223 -0.077 0.000 2.044 112 L HA -0.100 4.242 4.340 0.002 0.000 0.205 112 L C 2.804 179.670 176.870 -0.008 0.000 1.075 112 L CA 1.055 55.868 54.840 -0.044 0.000 0.747 112 L CB -0.819 41.214 42.059 -0.044 0.000 0.903 112 L HN 0.295 nan 8.230 nan 0.000 0.435 113 A N -0.002 122.804 122.820 -0.024 0.000 1.986 113 A HA -0.219 4.103 4.320 0.002 0.000 0.220 113 A C 2.394 179.981 177.584 0.005 0.000 1.171 113 A CA 2.036 54.063 52.037 -0.017 0.000 0.640 113 A CB -0.634 18.346 19.000 -0.033 0.000 0.811 113 A HN 0.436 nan 8.150 nan 0.000 0.451 114 A N -1.215 121.616 122.820 0.019 0.000 2.044 114 A HA 0.186 4.507 4.320 0.002 0.000 0.213 114 A C 2.188 179.808 177.584 0.060 0.000 1.169 114 A CA 1.290 53.350 52.037 0.039 0.000 0.724 114 A CB -0.306 18.717 19.000 0.038 0.000 0.840 114 A HN 0.435 nan 8.150 nan 0.000 0.463 115 S N -0.179 115.572 115.700 0.086 0.000 2.489 115 S HA 0.049 4.520 4.470 0.002 0.000 0.228 115 S C 1.467 176.119 174.600 0.088 0.000 0.995 115 S CA 0.420 58.693 58.200 0.121 0.000 0.934 115 S CB 0.041 63.373 63.200 0.220 0.000 0.771 115 S HN 0.437 nan 8.310 nan 0.000 0.522 116 R N 0.641 121.175 120.500 0.057 0.000 2.535 116 R HA 0.251 4.593 4.340 0.002 0.000 0.323 116 R C -0.254 176.049 176.300 0.005 0.000 0.979 116 R CA -0.030 56.088 56.100 0.030 0.000 1.120 116 R CB -0.351 29.951 30.300 0.004 0.000 1.306 116 R HN 0.439 nan 8.270 nan 0.000 0.540 117 Q N 0.626 120.449 119.800 0.039 0.000 2.457 117 Q HA -0.200 4.142 4.340 0.002 0.000 0.283 117 Q C 0.990 176.963 176.000 -0.045 0.000 1.234 117 Q CA 0.570 56.411 55.803 0.063 0.000 0.877 117 Q CB -1.511 27.360 28.738 0.221 0.000 1.250 117 Q HN 0.278 nan 8.270 nan 0.000 0.481 118 I N 0.652 121.184 120.570 -0.064 0.000 2.091 118 I HA -0.201 3.971 4.170 0.002 0.000 0.239 118 I C -0.303 175.760 176.117 -0.090 0.000 1.061 118 I CA 1.988 63.224 61.300 -0.105 0.000 1.317 118 I CB -2.014 35.948 38.000 -0.063 0.000 1.031 118 I HN 0.307 nan 8.210 nan 0.000 0.401 119 P HA -0.099 nan 4.420 nan 0.000 0.218 119 P C 1.506 178.800 177.300 -0.009 0.000 1.149 119 P CA 1.771 64.860 63.100 -0.018 0.000 0.817 119 P CB 0.018 31.724 31.700 0.010 0.000 0.785 120 A N 0.763 123.599 122.820 0.027 0.000 1.873 120 A HA -0.021 4.300 4.320 0.002 0.000 0.215 120 A C 2.508 180.130 177.584 0.063 0.000 1.186 120 A CA 2.092 54.191 52.037 0.105 0.000 0.616 120 A CB -1.543 17.598 19.000 0.235 0.000 0.823 120 A HN 0.216 nan 8.150 nan 0.000 0.442 121 A N 0.130 122.812 122.820 -0.230 0.000 1.841 121 A HA -0.281 4.040 4.320 0.002 0.000 0.216 121 A C 1.987 179.429 177.584 -0.236 0.000 1.199 121 A CA 2.140 53.832 52.037 -0.574 0.000 0.621 121 A CB -0.906 17.558 19.000 -0.893 0.000 0.835 121 A HN 0.543 nan 8.150 nan 0.000 0.445 122 D N 0.095 120.390 120.400 -0.175 0.000 2.149 122 D HA -0.180 4.461 4.640 0.002 0.000 0.194 122 D C 2.065 178.327 176.300 -0.064 0.000 1.001 122 D CA 1.867 55.808 54.000 -0.100 0.000 0.849 122 D CB -0.278 40.480 40.800 -0.070 0.000 0.939 122 D HN 0.348 nan 8.370 nan 0.000 0.449 123 A N 0.356 123.152 122.820 -0.041 0.000 1.972 123 A HA -0.169 4.153 4.320 0.002 0.000 0.219 123 A C 2.434 180.004 177.584 -0.023 0.000 1.169 123 A CA 2.559 54.581 52.037 -0.025 0.000 0.635 123 A CB -0.775 18.226 19.000 0.002 0.000 0.810 123 A HN 0.447 nan 8.150 nan 0.000 0.446 124 S N 0.152 115.856 115.700 0.008 0.000 2.368 124 S HA -0.088 4.384 4.470 0.002 0.000 0.224 124 S C 1.821 176.418 174.600 -0.005 0.000 1.029 124 S CA 1.445 59.667 58.200 0.036 0.000 0.988 124 S CB -0.725 62.561 63.200 0.143 0.000 0.838 124 S HN 0.465 nan 8.310 nan 0.000 0.462 125 L N 0.523 121.729 121.223 -0.028 0.000 2.291 125 L HA 0.100 4.442 4.340 0.002 0.000 0.214 125 L C 2.956 179.778 176.870 -0.079 0.000 1.120 125 L CA 0.560 55.403 54.840 0.005 0.000 0.799 125 L CB -0.458 41.616 42.059 0.025 0.000 0.925 125 L HN 0.248 nan 8.230 nan 0.000 0.446 126 R N 0.576 120.996 120.500 -0.132 0.000 2.148 126 R HA -0.087 4.254 4.340 0.002 0.000 0.223 126 R C 1.621 177.637 176.300 -0.473 0.000 1.088 126 R CA 0.912 56.874 56.100 -0.230 0.000 0.985 126 R CB -0.122 30.104 30.300 -0.124 0.000 0.880 126 R HN 0.525 nan 8.270 nan 0.000 0.451 127 E N -0.690 119.300 120.200 -0.349 0.000 2.385 127 E HA -0.009 4.343 4.350 0.002 0.000 0.194 127 E C -0.487 175.916 176.600 -0.327 0.000 1.013 127 E CA 0.069 56.270 56.400 -0.332 0.000 0.866 127 E CB 0.270 29.913 29.700 -0.094 0.000 0.832 127 E HN 0.331 nan 8.360 nan 0.000 0.500 128 H N -0.319 118.794 119.070 0.071 0.000 3.074 128 H HA -0.096 4.461 4.556 0.002 0.000 0.267 128 H C -0.669 174.726 175.328 0.112 0.000 1.288 128 H CA 1.030 57.130 56.048 0.088 0.000 1.136 128 H CB -2.359 27.442 29.762 0.066 0.000 1.272 128 H HN 0.276 nan 8.280 nan 0.000 0.379 129 T N -3.218 111.456 114.554 0.201 0.000 2.861 129 T HA 0.316 4.667 4.350 0.002 0.000 0.287 129 T C -0.065 174.786 174.700 0.252 0.000 1.003 129 T CA -0.783 61.442 62.100 0.207 0.000 0.977 129 T CB 2.405 71.356 68.868 0.137 0.000 0.996 129 T HN 0.380 nan 8.240 nan 0.000 0.448 130 W N 3.917 125.268 121.300 0.085 0.000 1.864 130 W HA 0.339 5.000 4.660 0.002 0.000 0.425 130 W C -0.342 176.238 176.519 0.101 0.000 0.791 130 W CA -0.784 56.614 57.345 0.087 0.000 1.650 130 W CB 0.217 29.717 29.460 0.067 0.000 1.791 130 W HN 0.763 nan 8.180 nan 0.000 0.266 131 K N 2.508 122.895 120.400 -0.023 0.000 2.994 131 K HA 0.029 4.350 4.320 0.002 0.000 0.231 131 K C 1.812 178.408 176.600 -0.007 0.000 1.174 131 K CA -0.177 56.108 56.287 -0.004 0.000 1.221 131 K CB 0.077 32.587 32.500 0.017 0.000 1.166 131 K HN 0.300 nan 8.250 nan 0.000 0.453 132 R N 0.353 120.693 120.500 -0.267 0.000 2.105 132 R HA -0.149 4.193 4.340 0.002 0.000 0.239 132 R C 1.334 177.658 176.300 0.041 0.000 1.135 132 R CA 2.224 58.216 56.100 -0.181 0.000 0.967 132 R CB -0.028 30.009 30.300 -0.439 0.000 0.861 132 R HN 0.286 nan 8.270 nan 0.000 0.442 133 S N -0.573 115.138 115.700 0.018 0.000 2.474 133 S HA -0.017 4.454 4.470 0.002 0.000 0.235 133 S C 1.710 176.289 174.600 -0.035 0.000 0.997 133 S CA 1.122 59.336 58.200 0.022 0.000 0.949 133 S CB 0.253 63.474 63.200 0.034 0.000 0.766 133 S HN 0.250 nan 8.310 nan 0.000 0.517 134 S N 0.657 116.276 115.700 -0.134 0.000 2.478 134 S HA 0.339 4.811 4.470 0.002 0.000 0.222 134 S C 0.223 174.594 174.600 -0.381 0.000 1.008 134 S CA -0.100 57.917 58.200 -0.306 0.000 0.928 134 S CB -0.187 62.723 63.200 -0.483 0.000 0.781 134 S HN 0.482 nan 8.310 nan 0.000 0.518 135 F N 1.782 121.698 119.950 -0.056 0.000 2.380 135 F HA 0.545 5.073 4.527 0.002 0.000 0.325 135 F C 0.785 176.567 175.800 -0.030 0.000 1.136 135 F CA -0.283 57.688 58.000 -0.048 0.000 1.171 135 F CB 0.916 39.875 39.000 -0.069 0.000 1.230 135 F HN -0.137 nan 8.300 nan 0.000 0.554 136 S N 0.583 116.389 115.700 0.177 0.000 2.599 136 S HA 0.564 5.036 4.470 0.002 0.000 0.269 136 S C -0.408 174.250 174.600 0.097 0.000 1.135 136 S CA -0.598 57.663 58.200 0.101 0.000 1.027 136 S CB 0.425 63.655 63.200 0.051 0.000 1.129 136 S HN 0.996 nan 8.310 nan 0.000 0.458 137 G N 1.793 110.646 108.800 0.088 0.000 2.552 137 G HA2 0.667 4.628 3.960 0.002 0.000 0.318 137 G HA3 0.667 4.628 3.960 0.002 0.000 0.318 137 G C -0.830 174.120 174.900 0.083 0.000 1.240 137 G CA -0.465 44.684 45.100 0.083 0.000 1.002 137 G HN 0.595 nan 8.290 nan 0.000 0.493 138 T N 0.259 114.878 114.554 0.107 0.000 2.792 138 T HA 0.389 4.740 4.350 0.002 0.000 0.280 138 T C -0.221 174.602 174.700 0.205 0.000 0.990 138 T CA -0.327 61.854 62.100 0.135 0.000 0.960 138 T CB 1.807 70.737 68.868 0.103 0.000 0.939 138 T HN 0.579 nan 8.240 nan 0.000 0.439 139 E N 2.505 122.822 120.200 0.194 0.000 2.349 139 E HA 0.376 4.728 4.350 0.002 0.000 0.262 139 E C 0.261 177.023 176.600 0.270 0.000 1.088 139 E CA -0.400 56.120 56.400 0.201 0.000 0.899 139 E CB 0.671 30.474 29.700 0.173 0.000 1.044 139 E HN 0.580 nan 8.360 nan 0.000 0.420 140 I N 2.177 122.877 120.570 0.216 0.000 3.300 140 I HA 0.057 4.228 4.170 0.002 0.000 0.279 140 I C 0.724 176.956 176.117 0.193 0.000 1.172 140 I CA -0.360 61.010 61.300 0.117 0.000 1.431 140 I CB 0.184 38.105 38.000 -0.132 0.000 1.240 140 I HN 0.544 nan 8.210 nan 0.000 0.453 141 F N 2.919 122.932 119.950 0.105 0.000 2.604 141 F HA 0.090 4.618 4.527 0.002 0.000 0.390 141 F C 1.383 177.252 175.800 0.115 0.000 1.053 141 F CA 1.185 59.241 58.000 0.094 0.000 1.256 141 F CB 0.302 39.347 39.000 0.075 0.000 0.996 141 F HN 0.332 nan 8.300 nan 0.000 0.564 142 G N 3.316 111.793 108.800 -0.539 0.000 2.184 142 G HA2 -0.288 3.674 3.960 0.002 0.000 0.264 142 G HA3 -0.288 3.674 3.960 0.002 0.000 0.264 142 G C 0.416 175.388 174.900 0.120 0.000 0.975 142 G CA 0.342 45.303 45.100 -0.230 0.000 0.642 142 G HN 0.606 nan 8.290 nan 0.000 0.536 143 K N 0.723 121.209 120.400 0.143 0.000 2.090 143 K HA 0.580 4.901 4.320 0.002 0.000 0.250 143 K C 0.398 177.143 176.600 0.243 0.000 1.004 143 K CA -0.162 56.258 56.287 0.221 0.000 0.919 143 K CB 0.565 33.290 32.500 0.374 0.000 1.045 143 K HN 0.109 nan 8.250 nan 0.000 0.471 144 T N 0.931 115.613 114.554 0.212 0.000 2.806 144 T HA 0.339 4.691 4.350 0.002 0.000 0.290 144 T C -0.242 174.585 174.700 0.212 0.000 0.966 144 T CA -0.589 61.625 62.100 0.189 0.000 1.060 144 T CB 0.860 69.783 68.868 0.093 0.000 0.927 144 T HN 0.105 nan 8.240 nan 0.000 0.485 145 V N 2.687 122.700 119.914 0.165 0.000 2.417 145 V HA 0.684 4.805 4.120 0.002 0.000 0.291 145 V C 0.675 176.840 176.094 0.118 0.000 1.024 145 V CA -0.927 61.464 62.300 0.151 0.000 0.861 145 V CB 1.777 33.635 31.823 0.058 0.000 0.985 145 V HN 1.018 nan 8.190 nan 0.000 0.436 146 G N 3.396 112.269 108.800 0.121 0.000 2.335 146 G HA2 0.556 4.518 3.960 0.002 0.000 0.314 146 G HA3 0.556 4.518 3.960 0.002 0.000 0.314 146 G C -0.838 174.130 174.900 0.114 0.000 1.129 146 G CA -0.335 44.827 45.100 0.103 0.000 0.912 146 G HN 0.545 nan 8.290 nan 0.000 0.443 147 V N 3.455 123.444 119.914 0.124 0.000 2.347 147 V HA 0.239 4.360 4.120 0.002 0.000 0.280 147 V C 0.026 176.225 176.094 0.174 0.000 1.021 147 V CA -0.686 61.710 62.300 0.160 0.000 0.847 147 V CB 1.530 33.431 31.823 0.131 0.000 0.990 147 V HN 0.495 nan 8.190 nan 0.000 0.444 148 V N 4.522 124.545 119.914 0.182 0.000 2.334 148 V HA 0.777 4.899 4.120 0.002 0.000 0.267 148 V C 0.715 176.923 176.094 0.190 0.000 1.040 148 V CA 0.349 62.777 62.300 0.214 0.000 0.866 148 V CB 0.563 32.489 31.823 0.171 0.000 1.019 148 V HN 1.252 nan 8.190 nan 0.000 0.468 149 G N 4.862 113.749 108.800 0.145 0.000 3.383 149 G HA2 -0.136 3.825 3.960 0.002 0.000 0.685 149 G HA3 -0.136 3.825 3.960 0.002 0.000 0.685 149 G C -0.586 174.367 174.900 0.089 0.000 1.104 149 G CA -0.719 44.441 45.100 0.100 0.000 0.957 149 G HN 0.659 nan 8.290 nan 0.000 0.461 150 L N 2.792 124.034 121.223 0.032 0.000 3.073 150 L HA 0.383 4.724 4.340 0.002 0.000 0.242 150 L C 1.564 178.421 176.870 -0.021 0.000 1.317 150 L CA 0.288 55.130 54.840 0.003 0.000 1.081 150 L CB -0.280 41.781 42.059 0.002 0.000 1.456 150 L HN 0.772 nan 8.230 nan 0.000 0.525 151 G N -0.588 108.197 108.800 -0.025 0.000 2.485 151 G HA2 0.084 4.046 3.960 0.002 0.000 0.260 151 G HA3 0.084 4.046 3.960 0.002 0.000 0.260 151 G C 0.947 175.797 174.900 -0.082 0.000 1.459 151 G CA -0.309 44.760 45.100 -0.051 0.000 1.060 151 G HN 0.150 nan 8.290 nan 0.000 0.546 152 R N -0.900 119.547 120.500 -0.089 0.000 2.082 152 R HA -0.043 4.299 4.340 0.002 0.000 0.234 152 R C 2.617 178.824 176.300 -0.155 0.000 1.136 152 R CA 1.107 57.141 56.100 -0.110 0.000 0.935 152 R CB -1.129 29.111 30.300 -0.100 0.000 0.842 152 R HN 0.593 nan 8.270 nan 0.000 0.430 153 I N -0.202 120.270 120.570 -0.163 0.000 2.127 153 I HA -0.227 3.944 4.170 0.002 0.000 0.241 153 I C 2.495 178.364 176.117 -0.413 0.000 1.075 153 I CA 1.751 62.910 61.300 -0.235 0.000 1.334 153 I CB -0.886 37.028 38.000 -0.143 0.000 1.040 153 I HN 0.284 nan 8.210 nan 0.000 0.405 154 G N 0.132 108.631 108.800 -0.502 0.000 2.469 154 G HA2 -0.278 3.683 3.960 0.002 0.000 0.220 154 G HA3 -0.278 3.683 3.960 0.002 0.000 0.220 154 G C 1.558 176.316 174.900 -0.236 0.000 1.136 154 G CA 0.742 45.547 45.100 -0.492 0.000 0.759 154 G HN 0.483 nan 8.290 nan 0.000 0.562 155 Q N -0.278 119.425 119.800 -0.162 0.000 2.172 155 Q HA 0.134 4.475 4.340 0.002 0.000 0.200 155 Q C 2.643 178.580 176.000 -0.105 0.000 0.964 155 Q CA 0.489 56.231 55.803 -0.102 0.000 0.855 155 Q CB -0.208 28.486 28.738 -0.074 0.000 0.918 155 Q HN 0.445 nan 8.270 nan 0.000 0.444 156 L N 0.090 121.228 121.223 -0.143 0.000 1.970 156 L HA -0.213 4.128 4.340 0.002 0.000 0.212 156 L C 2.403 179.213 176.870 -0.101 0.000 1.071 156 L CA 1.055 55.819 54.840 -0.128 0.000 0.751 156 L CB -0.778 41.169 42.059 -0.187 0.000 0.889 156 L HN 0.089 nan 8.230 nan 0.000 0.432 157 V N 0.304 120.127 119.914 -0.151 0.000 2.324 157 V HA -0.361 3.760 4.120 0.002 0.000 0.250 157 V C 2.784 178.833 176.094 -0.074 0.000 1.060 157 V CA 1.985 64.218 62.300 -0.112 0.000 1.042 157 V CB -1.092 30.639 31.823 -0.154 0.000 0.650 157 V HN 0.529 nan 8.190 nan 0.000 0.450 158 A N -0.926 121.848 122.820 -0.077 0.000 1.902 158 A HA -0.313 4.008 4.320 0.002 0.000 0.217 158 A C 2.180 179.751 177.584 -0.021 0.000 1.181 158 A CA 2.111 54.125 52.037 -0.038 0.000 0.623 158 A CB -0.524 18.460 19.000 -0.027 0.000 0.818 158 A HN 0.624 nan 8.150 nan 0.000 0.443 159 Q N -0.820 118.968 119.800 -0.020 0.000 2.096 159 Q HA -0.201 4.140 4.340 0.002 0.000 0.204 159 Q C 2.366 178.386 176.000 0.033 0.000 0.982 159 Q CA 1.909 57.714 55.803 0.003 0.000 0.850 159 Q CB -0.134 28.607 28.738 0.004 0.000 0.901 159 Q HN 0.627 nan 8.270 nan 0.000 0.422 160 R N 0.054 120.577 120.500 0.040 0.000 2.061 160 R HA -0.108 4.234 4.340 0.002 0.000 0.230 160 R C 2.116 178.524 176.300 0.180 0.000 1.140 160 R CA 1.154 57.322 56.100 0.113 0.000 0.940 160 R CB -0.523 29.840 30.300 0.104 0.000 0.839 160 R HN 0.148 nan 8.270 nan 0.000 0.429 161 I N 0.834 121.417 120.570 0.021 0.000 2.399 161 I HA -0.258 3.913 4.170 0.002 0.000 0.254 161 I C 1.938 178.095 176.117 0.067 0.000 1.146 161 I CA 1.313 62.566 61.300 -0.078 0.000 1.412 161 I CB -0.355 37.531 38.000 -0.191 0.000 1.076 161 I HN 0.246 nan 8.210 nan 0.000 0.432 162 A N -0.049 122.802 122.820 0.052 0.000 1.969 162 A HA -0.039 4.283 4.320 0.002 0.000 0.218 162 A C 2.444 180.056 177.584 0.048 0.000 1.169 162 A CA 1.421 53.467 52.037 0.015 0.000 0.635 162 A CB -1.012 17.981 19.000 -0.012 0.000 0.810 162 A HN 0.446 nan 8.150 nan 0.000 0.445 163 A N -1.229 121.656 122.820 0.108 0.000 2.121 163 A HA 0.087 4.408 4.320 0.002 0.000 0.218 163 A C 1.525 179.140 177.584 0.052 0.000 1.154 163 A CA 0.692 52.763 52.037 0.057 0.000 0.679 163 A CB -0.813 18.197 19.000 0.017 0.000 0.795 163 A HN 0.515 nan 8.150 nan 0.000 0.458 164 F N -0.008 119.925 119.950 -0.027 0.000 2.795 164 F HA 0.260 4.788 4.527 0.002 0.000 0.303 164 F C 1.770 177.599 175.800 0.049 0.000 1.186 164 F CA 0.548 58.555 58.000 0.012 0.000 1.415 164 F CB -0.206 38.777 39.000 -0.028 0.000 1.106 164 F HN 0.350 nan 8.300 nan 0.000 0.558 165 G N 1.035 109.898 108.800 0.105 0.000 2.221 165 G HA2 -0.154 3.808 3.960 0.002 0.000 0.265 165 G HA3 -0.154 3.808 3.960 0.002 0.000 0.265 165 G C 0.113 174.831 174.900 -0.304 0.000 1.041 165 G CA -0.015 45.012 45.100 -0.123 0.000 0.807 165 G HN 0.657 nan 8.290 nan 0.000 0.502 166 A N -0.682 122.042 122.820 -0.159 0.000 2.295 166 A HA 0.804 5.125 4.320 0.002 0.000 0.318 166 A C -0.146 177.311 177.584 -0.212 0.000 1.134 166 A CA -0.713 51.238 52.037 -0.144 0.000 0.827 166 A CB 0.744 19.700 19.000 -0.074 0.000 1.136 166 A HN 0.577 nan 8.150 nan 0.000 0.493 167 Y N 0.552 120.818 120.300 -0.057 0.000 2.316 167 Y HA 0.414 4.965 4.550 0.002 0.000 0.331 167 Y C 0.364 176.259 175.900 -0.008 0.000 1.083 167 Y CA -0.067 58.014 58.100 -0.032 0.000 1.206 167 Y CB 1.105 39.549 38.460 -0.027 0.000 1.195 167 Y HN 0.325 nan 8.280 nan 0.000 0.497 168 V N 4.937 124.931 119.914 0.134 0.000 2.483 168 V HA 0.657 4.778 4.120 0.002 0.000 0.295 168 V C -0.296 175.858 176.094 0.100 0.000 1.035 168 V CA -0.839 61.518 62.300 0.094 0.000 0.896 168 V CB 1.456 33.307 31.823 0.047 0.000 0.986 168 V HN 0.615 nan 8.190 nan 0.000 0.447 169 V N 1.386 121.354 119.914 0.090 0.000 3.007 169 V HA 1.088 5.210 4.120 0.002 0.000 0.311 169 V C -0.393 175.754 176.094 0.088 0.000 1.120 169 V CA -0.671 61.678 62.300 0.082 0.000 0.980 169 V CB 1.785 33.653 31.823 0.076 0.000 1.033 169 V HN 1.289 nan 8.190 nan 0.000 0.429 170 A N 2.460 125.336 122.820 0.094 0.000 2.556 170 A HA 0.849 5.170 4.320 0.002 0.000 0.294 170 A C -1.768 175.915 177.584 0.164 0.000 1.091 170 A CA -0.697 51.409 52.037 0.115 0.000 0.704 170 A CB 1.880 20.927 19.000 0.079 0.000 1.300 170 A HN 1.869 nan 8.150 nan 0.000 0.406 171 Y N 1.360 121.691 120.300 0.052 0.000 2.341 171 Y HA 0.642 5.194 4.550 0.002 0.000 0.338 171 Y C -1.016 174.926 175.900 0.069 0.000 0.965 171 Y CA -0.382 57.749 58.100 0.051 0.000 1.108 171 Y CB 1.530 40.017 38.460 0.045 0.000 1.180 171 Y HN 0.622 nan 8.280 nan 0.000 0.458 172 D N 8.452 128.549 120.400 -0.505 0.000 2.349 172 D HA 0.144 4.785 4.640 0.002 0.000 0.224 172 D C -2.501 173.619 176.300 -0.299 0.000 1.323 172 D CA -1.190 52.541 54.000 -0.450 0.000 0.917 172 D CB 1.539 42.258 40.800 -0.135 0.000 1.524 172 D HN 0.343 nan 8.370 nan 0.000 0.505 173 P HA -0.013 nan 4.420 nan 0.000 0.236 173 P C 0.263 177.333 177.300 -0.384 0.000 1.172 173 P CA 0.644 63.561 63.100 -0.304 0.000 0.759 173 P CB -0.226 31.286 31.700 -0.313 0.000 0.843 174 Y N -1.229 119.040 120.300 -0.052 0.000 2.734 174 Y HA 0.287 4.838 4.550 0.002 0.000 0.278 174 Y C 0.351 176.331 175.900 0.133 0.000 1.108 174 Y CA -0.426 57.733 58.100 0.098 0.000 1.211 174 Y CB 0.757 39.331 38.460 0.190 0.000 1.182 174 Y HN -0.316 nan 8.280 nan 0.000 0.547 175 V N 0.513 120.500 119.914 0.121 0.000 2.709 175 V HA 0.351 4.473 4.120 0.002 0.000 0.308 175 V C -0.068 176.050 176.094 0.039 0.000 1.062 175 V CA -1.263 61.087 62.300 0.084 0.000 0.901 175 V CB 2.121 33.967 31.823 0.038 0.000 1.003 175 V HN 0.310 nan 8.190 nan 0.000 0.425 176 S N 4.663 120.391 115.700 0.047 0.000 2.576 176 S HA 0.321 4.792 4.470 0.002 0.000 0.276 176 S C -1.748 172.858 174.600 0.010 0.000 1.339 176 S CA -0.799 57.414 58.200 0.023 0.000 1.039 176 S CB 1.274 64.494 63.200 0.032 0.000 0.902 176 S HN 0.537 nan 8.310 nan 0.000 0.516 177 P HA -0.085 nan 4.420 nan 0.000 0.216 177 P C 1.582 178.886 177.300 0.007 0.000 1.153 177 P CA 1.957 65.058 63.100 0.002 0.000 0.858 177 P CB -0.210 31.489 31.700 -0.002 0.000 0.789 178 A N -0.119 122.705 122.820 0.007 0.000 1.902 178 A HA -0.221 4.100 4.320 0.002 0.000 0.217 178 A C 2.401 179.990 177.584 0.009 0.000 1.181 178 A CA 1.987 54.029 52.037 0.008 0.000 0.623 178 A CB -1.108 17.896 19.000 0.008 0.000 0.818 178 A HN 0.015 nan 8.150 nan 0.000 0.443 179 R N 0.348 120.855 120.500 0.011 0.000 2.120 179 R HA -0.011 4.331 4.340 0.002 0.000 0.234 179 R C 2.008 178.313 176.300 0.008 0.000 1.123 179 R CA 1.924 58.029 56.100 0.009 0.000 0.975 179 R CB -0.831 29.476 30.300 0.012 0.000 0.866 179 R HN 0.378 nan 8.270 nan 0.000 0.446 180 A N 0.183 123.009 122.820 0.010 0.000 1.898 180 A HA 0.058 4.380 4.320 0.002 0.000 0.216 180 A C 2.372 179.964 177.584 0.013 0.000 1.181 180 A CA 1.539 53.583 52.037 0.011 0.000 0.620 180 A CB -1.003 18.006 19.000 0.015 0.000 0.819 180 A HN 0.473 nan 8.150 nan 0.000 0.442 181 A N -0.851 121.976 122.820 0.013 0.000 1.969 181 A HA -0.170 4.152 4.320 0.002 0.000 0.218 181 A C 2.086 179.677 177.584 0.011 0.000 1.169 181 A CA 1.574 53.619 52.037 0.014 0.000 0.635 181 A CB -0.505 18.502 19.000 0.013 0.000 0.810 181 A HN 0.634 nan 8.150 nan 0.000 0.445 182 Q N -0.567 119.238 119.800 0.009 0.000 2.170 182 Q HA -0.009 4.332 4.340 0.002 0.000 0.203 182 Q C 1.640 177.643 176.000 0.005 0.000 0.976 182 Q CA 1.080 56.887 55.803 0.006 0.000 0.858 182 Q CB -0.221 28.520 28.738 0.005 0.000 0.907 182 Q HN 0.657 nan 8.270 nan 0.000 0.433 183 L N -0.785 120.441 121.223 0.005 0.000 2.599 183 L HA 0.095 4.436 4.340 0.002 0.000 0.230 183 L C 0.961 177.835 176.870 0.006 0.000 1.141 183 L CA 0.343 55.184 54.840 0.002 0.000 0.877 183 L CB -0.210 41.849 42.059 -0.001 0.000 1.009 183 L HN 0.398 nan 8.230 nan 0.000 0.447 184 G N 1.471 110.278 108.800 0.011 0.000 2.221 184 G HA2 -0.287 3.674 3.960 0.002 0.000 0.265 184 G HA3 -0.287 3.674 3.960 0.002 0.000 0.265 184 G C -0.084 174.830 174.900 0.024 0.000 1.041 184 G CA 0.072 45.181 45.100 0.016 0.000 0.807 184 G HN 0.335 nan 8.290 nan 0.000 0.502 185 I N -0.369 120.216 120.570 0.026 0.000 2.530 185 I HA 0.412 4.583 4.170 0.002 0.000 0.297 185 I C 0.339 176.480 176.117 0.040 0.000 1.011 185 I CA -0.895 60.426 61.300 0.036 0.000 1.107 185 I CB 2.001 40.019 38.000 0.029 0.000 1.285 185 I HN 0.182 nan 8.210 nan 0.000 0.436 186 E N 6.299 126.529 120.200 0.051 0.000 2.167 186 E HA 0.341 4.692 4.350 0.002 0.000 0.284 186 E C -1.144 175.487 176.600 0.051 0.000 1.016 186 E CA -0.588 55.840 56.400 0.047 0.000 0.817 186 E CB 0.947 30.676 29.700 0.049 0.000 1.080 186 E HN 0.509 nan 8.360 nan 0.000 0.397 187 L N 6.401 127.651 121.223 0.045 0.000 2.313 187 L HA 0.278 4.619 4.340 0.002 0.000 0.282 187 L C -0.291 176.622 176.870 0.071 0.000 1.092 187 L CA -0.132 54.741 54.840 0.055 0.000 0.831 187 L CB 0.315 42.395 42.059 0.034 0.000 1.159 187 L HN 0.505 nan 8.230 nan 0.000 0.442 188 L N 2.370 123.659 121.223 0.109 0.000 2.341 188 L HA 0.446 4.787 4.340 0.002 0.000 0.267 188 L C 0.381 177.362 176.870 0.184 0.000 1.009 188 L CA -0.787 54.119 54.840 0.110 0.000 0.819 188 L CB 2.279 44.388 42.059 0.083 0.000 1.323 188 L HN 0.612 nan 8.230 nan 0.000 0.425 189 S N 0.677 116.451 115.700 0.123 0.000 2.563 189 S HA -0.007 4.464 4.470 0.002 0.000 0.284 189 S C 0.852 175.428 174.600 -0.040 0.000 1.331 189 S CA -0.489 57.772 58.200 0.101 0.000 1.047 189 S CB 0.731 63.949 63.200 0.029 0.000 0.859 189 S HN 0.609 nan 8.310 nan 0.000 0.514 190 L N 1.082 122.066 121.223 -0.397 0.000 2.187 190 L HA -0.071 4.271 4.340 0.002 0.000 0.213 190 L C 1.661 178.378 176.870 -0.255 0.000 1.100 190 L CA 1.950 56.422 54.840 -0.613 0.000 0.765 190 L CB -0.966 40.395 42.059 -1.163 0.000 0.904 190 L HN 0.758 nan 8.230 nan 0.000 0.437 191 D N -0.042 120.255 120.400 -0.171 0.000 2.104 191 D HA -0.186 4.456 4.640 0.002 0.000 0.194 191 D C 1.777 178.044 176.300 -0.054 0.000 0.994 191 D CA 1.582 55.527 54.000 -0.090 0.000 0.830 191 D CB -0.150 40.614 40.800 -0.061 0.000 0.959 191 D HN 0.418 nan 8.370 nan 0.000 0.452 192 D N -0.140 120.239 120.400 -0.035 0.000 2.144 192 D HA -0.076 4.566 4.640 0.002 0.000 0.200 192 D C 2.166 178.462 176.300 -0.006 0.000 0.978 192 D CA 0.146 54.139 54.000 -0.012 0.000 0.833 192 D CB -0.245 40.558 40.800 0.005 0.000 0.961 192 D HN 0.192 nan 8.370 nan 0.000 0.470 193 L N 0.075 121.296 121.223 -0.004 0.000 1.973 193 L HA -0.178 4.164 4.340 0.002 0.000 0.208 193 L C 2.032 178.900 176.870 -0.003 0.000 1.073 193 L CA 0.989 55.838 54.840 0.015 0.000 0.746 193 L CB -0.331 41.751 42.059 0.038 0.000 0.891 193 L HN -0.054 nan 8.230 nan 0.000 0.433 194 L N 0.502 121.708 121.223 -0.028 0.000 2.058 194 L HA -0.339 4.002 4.340 0.002 0.000 0.226 194 L C 2.766 179.627 176.870 -0.015 0.000 1.089 194 L CA 2.353 57.177 54.840 -0.027 0.000 0.799 194 L CB -1.701 40.331 42.059 -0.044 0.000 0.900 194 L HN 0.496 nan 8.230 nan 0.000 0.442 195 A N -1.860 120.951 122.820 -0.015 0.000 1.969 195 A HA -0.197 4.125 4.320 0.002 0.000 0.218 195 A C 2.532 180.109 177.584 -0.012 0.000 1.169 195 A CA 1.834 53.866 52.037 -0.009 0.000 0.635 195 A CB -0.367 18.626 19.000 -0.012 0.000 0.810 195 A HN 0.432 nan 8.150 nan 0.000 0.445 196 R N -1.474 119.021 120.500 -0.010 0.000 2.279 196 R HA 0.357 4.698 4.340 0.002 0.000 0.195 196 R C 0.718 177.016 176.300 -0.002 0.000 0.905 196 R CA 0.562 56.655 56.100 -0.011 0.000 1.044 196 R CB 0.159 30.454 30.300 -0.008 0.000 1.056 196 R HN 0.421 nan 8.270 nan 0.000 0.535 197 A N 0.828 123.652 122.820 0.007 0.000 2.388 197 A HA 0.107 4.429 4.320 0.002 0.000 0.257 197 A C -0.070 177.509 177.584 -0.009 0.000 1.095 197 A CA -0.289 51.765 52.037 0.029 0.000 0.791 197 A CB 0.427 19.454 19.000 0.045 0.000 1.029 197 A HN 0.246 nan 8.150 nan 0.000 0.489 198 D N 0.566 120.976 120.400 0.018 0.000 2.277 198 D HA 0.107 4.748 4.640 0.002 0.000 0.209 198 D C -0.561 175.529 176.300 -0.349 0.000 0.970 198 D CA 1.272 55.194 54.000 -0.131 0.000 0.874 198 D CB 0.175 40.946 40.800 -0.048 0.000 0.982 198 D HN 0.502 nan 8.370 nan 0.000 0.504 199 F N 0.421 120.359 119.950 -0.020 0.000 2.532 199 F HA 0.480 5.008 4.527 0.002 0.000 0.321 199 F C -0.036 175.752 175.800 -0.019 0.000 1.089 199 F CA -0.872 57.111 58.000 -0.027 0.000 0.926 199 F CB 1.975 40.955 39.000 -0.033 0.000 1.168 199 F HN -0.363 nan 8.300 nan 0.000 0.459 200 I N 1.923 122.575 120.570 0.137 0.000 2.447 200 I HA 0.359 4.530 4.170 0.002 0.000 0.287 200 I C -0.583 175.570 176.117 0.061 0.000 1.023 200 I CA -0.486 60.863 61.300 0.082 0.000 1.083 200 I CB 2.043 40.058 38.000 0.026 0.000 1.245 200 I HN 0.489 nan 8.210 nan 0.000 0.434 201 S N 5.992 121.729 115.700 0.062 0.000 2.473 201 S HA 0.712 5.183 4.470 0.002 0.000 0.307 201 S C -0.671 173.848 174.600 -0.136 0.000 1.094 201 S CA -0.618 57.574 58.200 -0.014 0.000 1.070 201 S CB 1.463 64.732 63.200 0.115 0.000 1.019 201 S HN 0.482 nan 8.310 nan 0.000 0.480 202 V N 3.758 123.450 119.914 -0.369 0.000 2.630 202 V HA 0.711 4.833 4.120 0.002 0.000 0.305 202 V C -0.756 174.908 176.094 -0.717 0.000 1.046 202 V CA -0.270 61.830 62.300 -0.333 0.000 0.934 202 V CB 1.548 33.276 31.823 -0.159 0.000 1.003 202 V HN 1.038 nan 8.190 nan 0.000 0.451 203 H N 5.071 124.154 119.070 0.021 0.000 3.038 203 H HA 0.403 4.961 4.556 0.002 0.000 0.223 203 H C -0.768 174.566 175.328 0.010 0.000 1.400 203 H CA -0.218 55.835 56.048 0.008 0.000 1.153 203 H CB 0.680 30.444 29.762 0.003 0.000 2.234 203 H HN 0.555 nan 8.280 nan 0.000 0.541 204 L N 2.816 124.077 121.223 0.064 0.000 2.325 204 L HA 0.373 4.714 4.340 0.002 0.000 0.279 204 L C -1.766 175.119 176.870 0.026 0.000 1.054 204 L CA -1.762 53.108 54.840 0.049 0.000 0.804 204 L CB 1.221 43.310 42.059 0.049 0.000 1.200 204 L HN 0.052 nan 8.230 nan 0.000 0.436 205 P HA 0.037 nan 4.420 nan 0.000 0.274 205 P C -1.183 176.119 177.300 0.004 0.000 1.260 205 P CA -0.498 62.606 63.100 0.005 0.000 0.793 205 P CB 0.780 32.474 31.700 -0.010 0.000 1.048 206 K N 0.509 120.912 120.400 0.004 0.000 2.253 206 K HA 0.420 4.742 4.320 0.002 0.000 0.277 206 K C -0.518 176.085 176.600 0.004 0.000 1.053 206 K CA -0.218 56.072 56.287 0.005 0.000 0.892 206 K CB 0.277 32.781 32.500 0.007 0.000 1.102 206 K HN 0.619 nan 8.250 nan 0.000 0.469 207 T N 1.032 115.589 114.554 0.005 0.000 2.932 207 T HA 0.312 4.664 4.350 0.002 0.000 0.318 207 T C -2.181 172.526 174.700 0.011 0.000 1.265 207 T CA -1.640 60.462 62.100 0.004 0.000 1.036 207 T CB 1.639 70.503 68.868 -0.008 0.000 1.209 207 T HN 0.266 nan 8.240 nan 0.000 0.484 208 P HA -0.180 nan 4.420 nan 0.000 0.218 208 P C 1.103 178.417 177.300 0.023 0.000 1.150 208 P CA 1.368 64.477 63.100 0.016 0.000 0.841 208 P CB 0.158 31.866 31.700 0.014 0.000 0.784 209 E N -1.315 118.901 120.200 0.027 0.000 2.233 209 E HA -0.145 4.207 4.350 0.002 0.000 0.199 209 E C 1.911 178.544 176.600 0.054 0.000 1.004 209 E CA 1.817 58.244 56.400 0.045 0.000 0.819 209 E CB -0.513 29.214 29.700 0.045 0.000 0.738 209 E HN 0.254 nan 8.360 nan 0.000 0.478 210 T N -1.288 113.290 114.554 0.040 0.000 3.058 210 T HA 0.341 4.692 4.350 0.002 0.000 0.247 210 T C 0.266 174.984 174.700 0.029 0.000 0.987 210 T CA 0.257 62.383 62.100 0.044 0.000 1.062 210 T CB 0.137 69.026 68.868 0.035 0.000 1.048 210 T HN 0.187 nan 8.240 nan 0.000 0.468 211 A N 0.781 123.612 122.820 0.018 0.000 2.584 211 A HA 0.426 4.748 4.320 0.002 0.000 0.239 211 A C 1.484 179.072 177.584 0.008 0.000 1.043 211 A CA 0.793 52.836 52.037 0.010 0.000 0.756 211 A CB -0.963 18.042 19.000 0.009 0.000 0.963 211 A HN 1.174 nan 8.150 nan 0.000 0.511 212 G N 1.645 110.445 108.800 -0.000 0.000 2.305 212 G HA2 -0.255 3.706 3.960 0.002 0.000 0.287 212 G HA3 -0.255 3.706 3.960 0.002 0.000 0.287 212 G C 0.669 175.568 174.900 -0.002 0.000 1.036 212 G CA 0.474 45.571 45.100 -0.004 0.000 0.887 212 G HN 0.912 nan 8.290 nan 0.000 0.505 213 L N -0.436 120.790 121.223 0.004 0.000 1.956 213 L HA -0.045 4.296 4.340 0.002 0.000 0.216 213 L C 1.749 178.612 176.870 -0.012 0.000 1.073 213 L CA 1.319 56.162 54.840 0.005 0.000 0.762 213 L CB -0.178 41.895 42.059 0.024 0.000 0.889 213 L HN 0.302 nan 8.230 nan 0.000 0.433 214 I N 1.754 122.314 120.570 -0.017 0.000 2.352 214 I HA 0.001 4.173 4.170 0.002 0.000 0.303 214 I C -0.061 176.044 176.117 -0.020 0.000 1.194 214 I CA -0.164 61.122 61.300 -0.024 0.000 1.518 214 I CB -1.738 36.246 38.000 -0.027 0.000 1.489 214 I HN 0.238 nan 8.210 nan 0.000 0.702 215 D N 4.486 124.874 120.400 -0.019 0.000 2.506 215 D HA 0.118 4.759 4.640 0.002 0.000 0.272 215 D C 1.166 177.457 176.300 -0.015 0.000 1.214 215 D CA -0.792 53.198 54.000 -0.016 0.000 1.067 215 D CB 0.913 41.704 40.800 -0.015 0.000 1.117 215 D HN 0.251 nan 8.370 nan 0.000 0.578 216 K N -0.432 119.959 120.400 -0.015 0.000 2.113 216 K HA -0.298 4.024 4.320 0.002 0.000 0.208 216 K C 1.653 178.241 176.600 -0.020 0.000 1.047 216 K CA 1.722 57.999 56.287 -0.016 0.000 0.928 216 K CB -0.044 32.445 32.500 -0.018 0.000 0.716 216 K HN 0.541 nan 8.250 nan 0.000 0.446 217 E N -0.479 119.707 120.200 -0.022 0.000 2.208 217 E HA -0.134 4.217 4.350 0.002 0.000 0.193 217 E C 1.662 178.246 176.600 -0.026 0.000 0.988 217 E CA 0.809 57.194 56.400 -0.026 0.000 0.828 217 E CB -0.005 29.680 29.700 -0.025 0.000 0.763 217 E HN 0.506 nan 8.360 nan 0.000 0.478 218 A N 0.888 123.694 122.820 -0.023 0.000 1.878 218 A HA -0.059 4.262 4.320 0.002 0.000 0.213 218 A C 1.991 179.570 177.584 -0.008 0.000 1.192 218 A CA 0.389 52.410 52.037 -0.026 0.000 0.619 218 A CB -0.352 18.627 19.000 -0.035 0.000 0.837 218 A HN 0.240 nan 8.150 nan 0.000 0.446 219 L N -0.106 121.120 121.223 0.004 0.000 2.189 219 L HA -0.178 4.163 4.340 0.002 0.000 0.214 219 L C 2.692 179.614 176.870 0.086 0.000 1.097 219 L CA 1.880 56.745 54.840 0.042 0.000 0.764 219 L CB -1.525 40.559 42.059 0.042 0.000 0.900 219 L HN 0.460 nan 8.230 nan 0.000 0.436 220 A N -1.278 121.551 122.820 0.016 0.000 2.208 220 A HA -0.080 4.241 4.320 0.002 0.000 0.209 220 A C 2.031 179.603 177.584 -0.019 0.000 1.161 220 A CA 0.549 52.555 52.037 -0.052 0.000 0.782 220 A CB -0.216 18.735 19.000 -0.082 0.000 0.816 220 A HN 0.395 nan 8.150 nan 0.000 0.477 221 K N 0.333 120.747 120.400 0.023 0.000 2.353 221 K HA 0.050 4.371 4.320 0.002 0.000 0.195 221 K C 0.325 176.960 176.600 0.058 0.000 1.031 221 K CA 0.568 56.867 56.287 0.019 0.000 1.079 221 K CB 0.233 32.728 32.500 -0.010 0.000 0.857 221 K HN 0.554 nan 8.250 nan 0.000 0.535 222 T N -0.288 114.337 114.554 0.117 0.000 2.910 222 T HA 0.167 4.518 4.350 0.002 0.000 0.293 222 T C 0.154 174.904 174.700 0.083 0.000 1.015 222 T CA -0.768 61.372 62.100 0.068 0.000 1.094 222 T CB 1.317 70.192 68.868 0.011 0.000 0.968 222 T HN -0.089 nan 8.240 nan 0.000 0.521 223 K N 3.389 123.776 120.400 -0.021 0.000 2.504 223 K HA 0.033 4.355 4.320 0.002 0.000 0.278 223 K C -2.217 174.251 176.600 -0.221 0.000 1.025 223 K CA -0.951 55.299 56.287 -0.061 0.000 1.093 223 K CB 0.059 32.511 32.500 -0.080 0.000 0.873 223 K HN 0.486 nan 8.250 nan 0.000 0.483 224 P HA -0.022 nan 4.420 nan 0.000 0.268 224 P C 0.498 177.656 177.300 -0.237 0.000 1.204 224 P CA 0.438 63.358 63.100 -0.301 0.000 0.768 224 P CB 0.761 32.483 31.700 0.038 0.000 0.842 225 G N 1.187 109.821 108.800 -0.277 0.000 2.195 225 G HA2 -0.232 3.729 3.960 0.002 0.000 0.246 225 G HA3 -0.232 3.729 3.960 0.002 0.000 0.246 225 G C 0.116 174.846 174.900 -0.283 0.000 0.984 225 G CA 0.069 45.036 45.100 -0.220 0.000 0.633 225 G HN 0.664 nan 8.290 nan 0.000 0.525 226 V N -0.351 119.371 119.914 -0.321 0.000 2.814 226 V HA 0.442 4.563 4.120 0.002 0.000 0.307 226 V C 0.944 176.858 176.094 -0.301 0.000 1.089 226 V CA 0.027 62.138 62.300 -0.316 0.000 1.212 226 V CB 0.796 32.475 31.823 -0.240 0.000 0.912 226 V HN 0.375 nan 8.190 nan 0.000 0.497 227 I N 4.661 125.006 120.570 -0.374 0.000 2.406 227 I HA 0.562 4.734 4.170 0.002 0.000 0.290 227 I C -0.243 175.820 176.117 -0.090 0.000 0.999 227 I CA -0.371 60.797 61.300 -0.221 0.000 1.124 227 I CB 1.719 39.584 38.000 -0.224 0.000 1.289 227 I HN 0.567 nan 8.210 nan 0.000 0.441 228 I N 6.372 126.916 120.570 -0.043 0.000 2.569 228 I HA 0.529 4.700 4.170 0.002 0.000 0.296 228 I C -0.897 175.213 176.117 -0.012 0.000 1.028 228 I CA -0.924 60.364 61.300 -0.020 0.000 1.082 228 I CB 2.463 40.438 38.000 -0.041 0.000 1.264 228 I HN 0.148 nan 8.210 nan 0.000 0.429 229 V N 5.324 125.225 119.914 -0.021 0.000 2.569 229 V HA 0.304 4.425 4.120 0.002 0.000 0.301 229 V C -0.648 175.382 176.094 -0.107 0.000 1.044 229 V CA -0.628 61.644 62.300 -0.046 0.000 0.874 229 V CB 2.005 33.816 31.823 -0.021 0.000 1.002 229 V HN 0.794 nan 8.190 nan 0.000 0.424 230 N N 3.738 122.362 118.700 -0.126 0.000 2.518 230 N HA 0.541 5.283 4.740 0.002 0.000 0.254 230 N C 0.321 175.728 175.510 -0.172 0.000 0.979 230 N CA -0.007 52.937 53.050 -0.177 0.000 0.930 230 N CB 1.770 40.155 38.487 -0.170 0.000 1.152 230 N HN 0.736 nan 8.380 nan 0.000 0.505 231 A N 2.742 125.471 122.820 -0.152 0.000 2.390 231 A HA 0.403 4.725 4.320 0.002 0.000 0.232 231 A C 1.345 178.886 177.584 -0.072 0.000 1.233 231 A CA 0.275 52.274 52.037 -0.063 0.000 0.907 231 A CB 0.160 19.196 19.000 0.059 0.000 0.967 231 A HN 0.673 nan 8.150 nan 0.000 0.512 232 A N 0.091 122.836 122.820 -0.125 0.000 1.908 232 A HA 0.445 4.767 4.320 0.002 0.000 0.217 232 A C 0.881 178.411 177.584 -0.089 0.000 1.378 232 A CA 0.519 52.515 52.037 -0.068 0.000 0.613 232 A CB 0.162 19.114 19.000 -0.079 0.000 1.053 232 A HN 0.222 nan 8.150 nan 0.000 0.484 233 R N -1.686 118.749 120.500 -0.109 0.000 2.574 233 R HA 0.465 4.807 4.340 0.002 0.000 0.288 233 R C 0.775 177.005 176.300 -0.116 0.000 1.004 233 R CA 0.103 56.147 56.100 -0.093 0.000 0.895 233 R CB 0.641 30.919 30.300 -0.037 0.000 1.191 233 R HN 0.869 nan 8.270 nan 0.000 0.444 234 G N 2.440 111.167 108.800 -0.121 0.000 2.699 234 G HA2 -0.401 3.561 3.960 0.002 0.000 0.347 234 G HA3 -0.401 3.561 3.960 0.002 0.000 0.347 234 G C 0.564 175.418 174.900 -0.077 0.000 1.225 234 G CA 0.784 45.845 45.100 -0.065 0.000 0.973 234 G HN 0.768 nan 8.290 nan 0.000 0.551 235 G N -0.674 108.101 108.800 -0.042 0.000 4.044 235 G HA2 0.537 4.498 3.960 0.002 0.000 0.297 235 G HA3 0.537 4.498 3.960 0.002 0.000 0.297 235 G C 1.349 176.223 174.900 -0.042 0.000 1.101 235 G CA 0.533 45.610 45.100 -0.038 0.000 0.884 235 G HN 0.570 nan 8.290 nan 0.000 0.538 236 L N -0.378 120.811 121.223 -0.058 0.000 2.129 236 L HA -0.061 4.280 4.340 0.002 0.000 0.212 236 L C 0.640 177.485 176.870 -0.041 0.000 1.087 236 L CA 1.013 55.827 54.840 -0.044 0.000 0.757 236 L CB -0.344 41.682 42.059 -0.055 0.000 0.896 236 L HN 0.073 nan 8.230 nan 0.000 0.434 237 V N 0.107 119.987 119.914 -0.056 0.000 2.448 237 V HA 0.149 4.270 4.120 0.002 0.000 0.295 237 V C -0.047 176.023 176.094 -0.039 0.000 1.025 237 V CA -0.938 61.334 62.300 -0.046 0.000 0.859 237 V CB 1.935 33.724 31.823 -0.057 0.000 0.988 237 V HN 0.070 nan 8.190 nan 0.000 0.431 238 D N 3.883 124.267 120.400 -0.027 0.000 2.412 238 D HA 0.011 4.652 4.640 0.002 0.000 0.257 238 D C 1.101 177.389 176.300 -0.020 0.000 1.217 238 D CA 0.290 54.278 54.000 -0.020 0.000 0.897 238 D CB 1.037 41.828 40.800 -0.016 0.000 1.132 238 D HN 0.675 nan 8.370 nan 0.000 0.493 239 E N 2.671 122.861 120.200 -0.018 0.000 2.085 239 E HA -0.212 4.139 4.350 0.002 0.000 0.194 239 E C 1.884 178.468 176.600 -0.026 0.000 0.994 239 E CA 1.259 57.647 56.400 -0.020 0.000 0.801 239 E CB 0.042 29.736 29.700 -0.009 0.000 0.743 239 E HN 0.608 nan 8.360 nan 0.000 0.453 240 A N 1.397 124.203 122.820 -0.023 0.000 1.930 240 A HA -0.062 4.259 4.320 0.002 0.000 0.217 240 A C 2.361 179.934 177.584 -0.019 0.000 1.175 240 A CA 1.608 53.630 52.037 -0.024 0.000 0.627 240 A CB -0.509 18.479 19.000 -0.020 0.000 0.815 240 A HN 0.286 nan 8.150 nan 0.000 0.443 241 A N -0.723 122.087 122.820 -0.016 0.000 2.014 241 A HA 0.118 4.439 4.320 0.002 0.000 0.218 241 A C 2.125 179.704 177.584 -0.007 0.000 1.163 241 A CA 1.120 53.150 52.037 -0.012 0.000 0.652 241 A CB -0.424 18.569 19.000 -0.012 0.000 0.808 241 A HN 0.480 nan 8.150 nan 0.000 0.449 242 L N -0.619 120.598 121.223 -0.011 0.000 2.027 242 L HA -0.165 4.177 4.340 0.002 0.000 0.206 242 L C 2.927 179.792 176.870 -0.007 0.000 1.074 242 L CA 1.532 56.366 54.840 -0.009 0.000 0.745 242 L CB -0.571 41.478 42.059 -0.017 0.000 0.898 242 L HN 0.436 nan 8.230 nan 0.000 0.433 243 A N -0.416 122.395 122.820 -0.015 0.000 1.940 243 A HA -0.271 4.050 4.320 0.002 0.000 0.219 243 A C 1.808 179.388 177.584 -0.008 0.000 1.176 243 A CA 2.058 54.086 52.037 -0.015 0.000 0.631 243 A CB -0.612 18.371 19.000 -0.027 0.000 0.814 243 A HN 0.457 nan 8.150 nan 0.000 0.446 244 D N -0.272 120.124 120.400 -0.007 0.000 2.144 244 D HA -0.020 4.622 4.640 0.002 0.000 0.199 244 D C 2.123 178.427 176.300 0.007 0.000 0.984 244 D CA 1.504 55.501 54.000 -0.004 0.000 0.834 244 D CB -0.217 40.578 40.800 -0.008 0.000 0.955 244 D HN 0.446 nan 8.370 nan 0.000 0.465 245 A N -0.086 122.745 122.820 0.018 0.000 1.943 245 A HA -0.004 4.317 4.320 0.002 0.000 0.213 245 A C 2.077 179.685 177.584 0.040 0.000 1.181 245 A CA 0.220 52.286 52.037 0.048 0.000 0.653 245 A CB -0.306 18.740 19.000 0.076 0.000 0.833 245 A HN 0.055 nan 8.150 nan 0.000 0.451 246 I N 0.675 121.254 120.570 0.015 0.000 2.091 246 I HA -0.249 3.923 4.170 0.002 0.000 0.239 246 I C 2.625 178.747 176.117 0.008 0.000 1.061 246 I CA 2.347 63.650 61.300 0.005 0.000 1.317 246 I CB -0.927 37.074 38.000 0.002 0.000 1.031 246 I HN 0.324 nan 8.210 nan 0.000 0.401 247 T N -0.049 114.509 114.554 0.007 0.000 2.665 247 T HA -0.183 4.169 4.350 0.002 0.000 0.268 247 T C 1.838 176.542 174.700 0.008 0.000 1.035 247 T CA 1.561 63.663 62.100 0.004 0.000 1.151 247 T CB -1.120 67.748 68.868 0.001 0.000 0.862 247 T HN 0.549 nan 8.240 nan 0.000 0.438 248 G N 0.029 108.838 108.800 0.015 0.000 2.535 248 G HA2 0.221 4.183 3.960 0.002 0.000 0.218 248 G HA3 0.221 4.183 3.960 0.002 0.000 0.218 248 G C 1.324 176.245 174.900 0.035 0.000 1.122 248 G CA 0.796 45.908 45.100 0.020 0.000 0.769 248 G HN 0.902 nan 8.290 nan 0.000 0.549 249 G N -0.697 108.123 108.800 0.034 0.000 2.225 249 G HA2 -0.384 3.578 3.960 0.002 0.000 0.254 249 G HA3 -0.384 3.578 3.960 0.002 0.000 0.254 249 G C 0.952 175.873 174.900 0.035 0.000 0.988 249 G CA 1.198 46.312 45.100 0.023 0.000 0.625 249 G HN 0.679 nan 8.290 nan 0.000 0.527 250 H N 0.751 119.802 119.070 -0.031 0.000 2.387 250 H HA 0.196 4.753 4.556 0.002 0.000 0.299 250 H C 1.663 176.964 175.328 -0.046 0.000 1.099 250 H CA 2.363 58.389 56.048 -0.036 0.000 1.315 250 H CB -0.044 29.698 29.762 -0.034 0.000 1.380 250 H HN 1.043 nan 8.280 nan 0.000 0.513 251 V N -0.154 119.683 119.914 -0.129 0.000 2.483 251 V HA 0.317 4.438 4.120 0.002 0.000 0.295 251 V C 0.969 176.994 176.094 -0.114 0.000 1.035 251 V CA -0.619 61.569 62.300 -0.185 0.000 0.896 251 V CB 1.869 33.619 31.823 -0.122 0.000 0.986 251 V HN 0.321 nan 8.190 nan 0.000 0.447 252 R N 3.550 123.969 120.500 -0.136 0.000 2.119 252 R HA 0.510 4.851 4.340 0.002 0.000 0.222 252 R C 0.628 176.894 176.300 -0.056 0.000 1.088 252 R CA 1.236 57.279 56.100 -0.094 0.000 0.984 252 R CB 0.359 30.587 30.300 -0.120 0.000 0.884 252 R HN 1.023 nan 8.270 nan 0.000 0.447 253 A N -1.043 121.741 122.820 -0.060 0.000 2.567 253 A HA 0.725 5.046 4.320 0.002 0.000 0.291 253 A C -1.853 175.719 177.584 -0.020 0.000 1.048 253 A CA -0.300 51.724 52.037 -0.021 0.000 0.661 253 A CB 1.112 20.111 19.000 -0.001 0.000 1.288 253 A HN 0.161 nan 8.150 nan 0.000 0.424 254 A N -0.838 121.984 122.820 0.004 0.000 2.602 254 A HA 0.963 5.284 4.320 0.002 0.000 0.290 254 A C -0.264 177.331 177.584 0.019 0.000 1.114 254 A CA -0.213 51.826 52.037 0.003 0.000 0.683 254 A CB 1.456 20.454 19.000 -0.003 0.000 1.281 254 A HN 2.510 nan 8.150 nan 0.000 0.416 255 G N 0.414 109.217 108.800 0.005 0.000 2.618 255 G HA2 0.555 4.517 3.960 0.002 0.000 0.280 255 G HA3 0.555 4.517 3.960 0.002 0.000 0.280 255 G C -1.283 173.602 174.900 -0.024 0.000 1.458 255 G CA -0.285 44.819 45.100 0.007 0.000 1.224 255 G HN 0.591 nan 8.290 nan 0.000 0.576 256 L N 1.883 123.102 121.223 -0.006 0.000 2.317 256 L HA 0.399 4.740 4.340 0.002 0.000 0.281 256 L C 0.443 177.240 176.870 -0.121 0.000 1.024 256 L CA -0.684 54.073 54.840 -0.139 0.000 0.810 256 L CB 2.285 44.208 42.059 -0.227 0.000 1.240 256 L HN 0.606 nan 8.230 nan 0.000 0.427 257 D N 1.343 121.623 120.400 -0.199 0.000 2.389 257 D HA 0.100 4.741 4.640 0.002 0.000 0.206 257 D C -0.225 175.853 176.300 -0.369 0.000 1.055 257 D CA 0.324 54.268 54.000 -0.094 0.000 0.856 257 D CB 0.744 41.595 40.800 0.085 0.000 0.957 257 D HN 0.195 nan 8.370 nan 0.000 0.509 258 V N -2.087 117.347 119.914 -0.801 0.000 3.049 258 V HA 0.684 4.806 4.120 0.002 0.000 0.309 258 V C -1.088 174.336 176.094 -1.117 0.000 1.148 258 V CA -1.109 60.710 62.300 -0.802 0.000 0.990 258 V CB 1.715 33.209 31.823 -0.547 0.000 1.039 258 V HN -0.130 nan 8.190 nan 0.000 0.430 259 F N 0.798 120.723 119.950 -0.041 0.000 2.547 259 F HA 0.802 5.331 4.527 0.003 0.000 0.316 259 F C 1.312 177.110 175.800 -0.004 0.000 1.121 259 F CA -0.239 57.759 58.000 -0.005 0.000 0.911 259 F CB 2.147 41.174 39.000 0.045 0.000 1.179 259 F HN 0.781 nan 8.300 nan 0.000 0.443 260 A N 1.264 124.168 122.820 0.139 0.000 1.954 260 A HA -0.177 4.144 4.320 0.002 0.000 0.222 260 A C 1.184 178.824 177.584 0.093 0.000 1.199 260 A CA 2.537 54.620 52.037 0.076 0.000 0.657 260 A CB -0.717 18.315 19.000 0.054 0.000 0.823 260 A HN 0.689 nan 8.150 nan 0.000 0.463 261 T N 0.122 114.754 114.554 0.130 0.000 2.965 261 T HA 0.498 4.850 4.350 0.002 0.000 0.306 261 T C -1.195 173.589 174.700 0.141 0.000 0.991 261 T CA -0.646 61.520 62.100 0.110 0.000 1.001 261 T CB 0.691 69.599 68.868 0.068 0.000 0.984 261 T HN 0.447 nan 8.240 nan 0.000 0.446 262 E N 4.158 124.454 120.200 0.160 0.000 2.207 262 E HA 0.580 4.931 4.350 0.002 0.000 0.270 262 E C -2.329 174.339 176.600 0.113 0.000 0.927 262 E CA -2.182 54.319 56.400 0.168 0.000 0.799 262 E CB 0.750 30.608 29.700 0.263 0.000 1.172 262 E HN 0.479 nan 8.360 nan 0.000 0.404 263 P HA 0.013 nan 4.420 nan 0.000 0.265 263 P C -1.193 176.132 177.300 0.041 0.000 1.193 263 P CA -0.285 62.853 63.100 0.064 0.000 0.765 263 P CB 0.394 32.116 31.700 0.037 0.000 0.823 264 C N 2.340 121.641 119.300 0.002 0.000 2.346 264 C HA 0.477 4.938 4.460 0.002 0.000 0.326 264 C C 1.091 176.090 174.990 0.015 0.000 1.224 264 C CA 0.002 58.996 59.018 -0.039 0.000 1.408 264 C CB 0.363 27.974 27.740 -0.216 0.000 2.089 264 C HN 0.772 nan 8.230 nan 0.000 0.456 265 T N 1.579 116.192 114.554 0.098 0.000 3.010 265 T HA 0.097 4.449 4.350 0.002 0.000 0.252 265 T C 0.885 175.716 174.700 0.218 0.000 0.963 265 T CA 0.466 62.620 62.100 0.089 0.000 0.952 265 T CB 0.098 68.979 68.868 0.021 0.000 1.182 265 T HN 0.832 nan 8.240 nan 0.000 0.495 266 D N 0.681 121.175 120.400 0.157 0.000 2.431 266 D HA 0.261 4.902 4.640 0.002 0.000 0.213 266 D C 0.668 176.962 176.300 -0.010 0.000 1.130 266 D CA -0.145 53.911 54.000 0.095 0.000 0.834 266 D CB -0.276 40.546 40.800 0.037 0.000 0.985 266 D HN 0.117 nan 8.370 nan 0.000 0.504 267 S N 1.253 116.830 115.700 -0.205 0.000 2.558 267 S HA 0.077 4.549 4.470 0.002 0.000 0.287 267 S C -1.471 172.932 174.600 -0.328 0.000 1.321 267 S CA -0.708 57.236 58.200 -0.426 0.000 1.048 267 S CB 1.027 63.714 63.200 -0.855 0.000 0.844 267 S HN -0.083 nan 8.310 nan 0.000 0.512 268 P HA 0.037 nan 4.420 nan 0.000 0.229 268 P C 1.232 178.457 177.300 -0.124 0.000 1.160 268 P CA 0.159 63.193 63.100 -0.111 0.000 0.777 268 P CB 0.093 31.750 31.700 -0.072 0.000 0.814 269 L N -1.565 119.515 121.223 -0.239 0.000 2.187 269 L HA -0.122 4.220 4.340 0.002 0.000 0.213 269 L C 1.731 178.560 176.870 -0.068 0.000 1.100 269 L CA 1.666 56.395 54.840 -0.185 0.000 0.765 269 L CB -1.577 40.344 42.059 -0.229 0.000 0.904 269 L HN -0.052 nan 8.230 nan 0.000 0.437 270 F N -0.758 119.199 119.950 0.011 0.000 2.661 270 F HA -0.016 4.513 4.527 0.002 0.000 0.298 270 F C 2.187 177.990 175.800 0.005 0.000 1.137 270 F CA 0.186 58.187 58.000 0.001 0.000 1.454 270 F CB -0.598 38.382 39.000 -0.032 0.000 1.103 270 F HN 0.133 nan 8.300 nan 0.000 0.577 271 E N 0.236 120.516 120.200 0.132 0.000 2.318 271 E HA 0.130 4.481 4.350 0.002 0.000 0.193 271 E C 0.736 177.372 176.600 0.059 0.000 0.998 271 E CA 0.264 56.711 56.400 0.079 0.000 0.859 271 E CB -0.032 29.694 29.700 0.044 0.000 0.812 271 E HN 0.282 nan 8.360 nan 0.000 0.492 272 L N 0.260 121.518 121.223 0.058 0.000 2.350 272 L HA 0.280 4.621 4.340 0.002 0.000 0.275 272 L C 1.340 178.248 176.870 0.063 0.000 1.099 272 L CA -0.314 54.553 54.840 0.045 0.000 0.808 272 L CB 1.258 43.335 42.059 0.030 0.000 1.149 272 L HN -0.080 nan 8.230 nan 0.000 0.442 273 A N 1.341 124.190 122.820 0.049 0.000 1.887 273 A HA -0.040 4.282 4.320 0.002 0.000 0.212 273 A C 1.694 179.315 177.584 0.062 0.000 1.198 273 A CA 0.497 52.568 52.037 0.058 0.000 0.628 273 A CB -0.159 18.867 19.000 0.043 0.000 0.847 273 A HN 0.743 nan 8.150 nan 0.000 0.449 274 Q N 0.030 119.857 119.800 0.045 0.000 2.547 274 Q HA 0.081 4.422 4.340 0.002 0.000 0.217 274 Q C -0.600 175.427 176.000 0.044 0.000 0.978 274 Q CA 0.357 56.185 55.803 0.042 0.000 0.962 274 Q CB -0.350 28.401 28.738 0.021 0.000 0.990 274 Q HN 0.306 nan 8.270 nan 0.000 0.538 275 V N 0.867 120.818 119.914 0.062 0.000 2.376 275 V HA 0.246 4.367 4.120 0.002 0.000 0.287 275 V C -0.186 175.970 176.094 0.105 0.000 1.015 275 V CA -0.716 61.628 62.300 0.073 0.000 0.834 275 V CB 2.005 33.876 31.823 0.080 0.000 1.001 275 V HN -0.204 nan 8.190 nan 0.000 0.428 276 V N 6.479 126.445 119.914 0.088 0.000 2.498 276 V HA 0.563 4.685 4.120 0.002 0.000 0.279 276 V C 0.038 176.220 176.094 0.147 0.000 1.048 276 V CA -0.295 62.063 62.300 0.098 0.000 0.967 276 V CB 1.548 33.402 31.823 0.053 0.000 0.988 276 V HN 0.724 nan 8.190 nan 0.000 0.473 277 V N 1.701 121.735 119.914 0.201 0.000 2.876 277 V HA 1.019 5.141 4.120 0.002 0.000 0.312 277 V C -0.394 175.857 176.094 0.262 0.000 1.085 277 V CA -0.430 62.068 62.300 0.329 0.000 0.945 277 V CB 2.066 34.243 31.823 0.589 0.000 1.017 277 V HN 0.963 nan 8.190 nan 0.000 0.428 278 T N 0.084 114.839 114.554 0.335 0.000 2.956 278 T HA 0.638 4.990 4.350 0.002 0.000 0.312 278 T C -3.173 171.731 174.700 0.340 0.000 1.151 278 T CA -1.714 60.548 62.100 0.270 0.000 1.024 278 T CB 2.231 71.282 68.868 0.305 0.000 1.140 278 T HN 0.699 nan 8.240 nan 0.000 0.473 279 P HA 0.155 nan 4.420 nan 0.000 0.241 279 P C 0.010 177.491 177.300 0.301 0.000 1.760 279 P CA 0.386 63.644 63.100 0.263 0.000 1.081 279 P CB -1.320 30.448 31.700 0.112 0.000 1.975 280 H N 1.064 120.253 119.070 0.198 0.000 2.740 280 H HA -0.131 4.426 4.556 0.002 0.000 0.327 280 H C -0.029 175.291 175.328 -0.013 0.000 1.077 280 H CA -0.395 55.703 56.048 0.083 0.000 1.088 280 H CB -0.756 29.066 29.762 0.099 0.000 1.619 280 H HN 0.326 nan 8.280 nan 0.000 0.386 281 L N 1.409 122.655 121.223 0.037 0.000 2.638 281 L HA 0.146 4.487 4.340 0.002 0.000 0.232 281 L C 2.673 179.337 176.870 -0.345 0.000 1.099 281 L CA 0.700 55.430 54.840 -0.183 0.000 0.883 281 L CB -0.026 41.871 42.059 -0.269 0.000 1.136 281 L HN 0.682 nan 8.230 nan 0.000 0.492 282 G N 1.038 109.651 108.800 -0.311 0.000 2.656 282 G HA2 -0.380 3.581 3.960 0.002 0.000 0.223 282 G HA3 -0.380 3.581 3.960 0.002 0.000 0.223 282 G C 1.315 176.175 174.900 -0.066 0.000 1.130 282 G CA 1.243 46.241 45.100 -0.170 0.000 0.758 282 G HN 0.484 nan 8.290 nan 0.000 0.608 283 A N -0.368 122.433 122.820 -0.031 0.000 2.430 283 A HA 0.559 4.881 4.320 0.002 0.000 0.243 283 A C 1.198 178.762 177.584 -0.033 0.000 1.254 283 A CA 0.386 52.414 52.037 -0.015 0.000 0.914 283 A CB 0.424 19.424 19.000 -0.001 0.000 0.998 283 A HN 0.163 nan 8.150 nan 0.000 0.515 284 S N 1.379 117.044 115.700 -0.058 0.000 3.065 284 S HA 0.396 4.868 4.470 0.002 0.000 0.311 284 S C -0.216 174.370 174.600 -0.023 0.000 1.204 284 S CA 0.185 58.359 58.200 -0.042 0.000 1.040 284 S CB -0.225 62.946 63.200 -0.048 0.000 1.436 284 S HN 0.328 nan 8.310 nan 0.000 0.532 285 T N 1.356 115.906 114.554 -0.008 0.000 3.105 285 T HA 0.459 4.810 4.350 0.002 0.000 0.321 285 T C 0.965 175.669 174.700 0.007 0.000 1.135 285 T CA -0.364 61.740 62.100 0.006 0.000 1.053 285 T CB 1.394 70.272 68.868 0.018 0.000 1.133 285 T HN 0.369 nan 8.240 nan 0.000 0.463 286 A N 2.737 125.562 122.820 0.008 0.000 1.972 286 A HA -0.034 4.287 4.320 0.002 0.000 0.219 286 A C 1.821 179.410 177.584 0.008 0.000 1.169 286 A CA 1.782 53.823 52.037 0.007 0.000 0.635 286 A CB -0.400 18.603 19.000 0.006 0.000 0.810 286 A HN 0.811 nan 8.150 nan 0.000 0.446 287 E N 0.179 120.385 120.200 0.010 0.000 2.077 287 E HA -0.024 4.328 4.350 0.002 0.000 0.193 287 E C 2.181 178.788 176.600 0.013 0.000 0.989 287 E CA 1.361 57.765 56.400 0.008 0.000 0.800 287 E CB -0.499 29.203 29.700 0.004 0.000 0.746 287 E HN 0.574 nan 8.360 nan 0.000 0.452 288 A N 0.607 123.439 122.820 0.020 0.000 2.015 288 A HA -0.168 4.154 4.320 0.002 0.000 0.219 288 A C 1.905 179.499 177.584 0.017 0.000 1.163 288 A CA 1.080 53.132 52.037 0.025 0.000 0.646 288 A CB -0.173 18.843 19.000 0.027 0.000 0.806 288 A HN 0.068 nan 8.150 nan 0.000 0.448 289 Q N -0.185 119.622 119.800 0.011 0.000 2.163 289 Q HA -0.071 4.270 4.340 0.002 0.000 0.198 289 Q C 1.209 177.217 176.000 0.014 0.000 0.954 289 Q CA 1.423 57.232 55.803 0.010 0.000 0.851 289 Q CB -0.473 28.270 28.738 0.008 0.000 0.928 289 Q HN 0.647 nan 8.270 nan 0.000 0.459 290 D N 0.460 120.869 120.400 0.014 0.000 2.144 290 D HA -0.110 4.532 4.640 0.002 0.000 0.200 290 D C 1.945 178.253 176.300 0.013 0.000 0.978 290 D CA 0.858 54.867 54.000 0.015 0.000 0.833 290 D CB 0.002 40.809 40.800 0.013 0.000 0.961 290 D HN 0.050 nan 8.370 nan 0.000 0.470 291 R N 0.470 120.977 120.500 0.012 0.000 2.073 291 R HA -0.086 4.255 4.340 0.002 0.000 0.234 291 R C 2.092 178.399 176.300 0.012 0.000 1.134 291 R CA 1.467 57.575 56.100 0.013 0.000 0.952 291 R CB -0.330 29.982 30.300 0.020 0.000 0.850 291 R HN 0.123 nan 8.270 nan 0.000 0.433 292 A N -0.172 122.656 122.820 0.013 0.000 1.927 292 A HA -0.169 4.152 4.320 0.002 0.000 0.220 292 A C 2.297 179.883 177.584 0.004 0.000 1.185 292 A CA 2.077 54.119 52.037 0.008 0.000 0.639 292 A CB -1.453 17.551 19.000 0.006 0.000 0.820 292 A HN 0.595 nan 8.150 nan 0.000 0.451 293 G N -0.934 107.871 108.800 0.009 0.000 2.424 293 G HA2 -0.150 3.812 3.960 0.002 0.000 0.214 293 G HA3 -0.150 3.812 3.960 0.002 0.000 0.214 293 G C 1.824 176.726 174.900 0.004 0.000 1.202 293 G CA 2.303 47.409 45.100 0.010 0.000 0.793 293 G HN 0.782 nan 8.290 nan 0.000 0.534 294 T N -0.337 114.221 114.554 0.008 0.000 2.699 294 T HA -0.192 4.160 4.350 0.002 0.000 0.268 294 T C 1.835 176.532 174.700 -0.004 0.000 1.036 294 T CA 2.107 64.209 62.100 0.004 0.000 1.147 294 T CB -0.488 68.383 68.868 0.006 0.000 0.862 294 T HN 0.169 nan 8.240 nan 0.000 0.446 295 D N 0.871 121.268 120.400 -0.004 0.000 2.078 295 D HA -0.050 4.591 4.640 0.002 0.000 0.193 295 D C 2.380 178.666 176.300 -0.022 0.000 0.990 295 D CA 1.118 55.112 54.000 -0.010 0.000 0.827 295 D CB -0.904 39.894 40.800 -0.004 0.000 0.975 295 D HN 0.291 nan 8.370 nan 0.000 0.451 296 V N 1.233 121.133 119.914 -0.023 0.000 2.453 296 V HA -0.283 3.839 4.120 0.002 0.000 0.252 296 V C 2.360 178.429 176.094 -0.043 0.000 1.068 296 V CA 1.878 64.157 62.300 -0.035 0.000 1.070 296 V CB -0.623 31.181 31.823 -0.032 0.000 0.664 296 V HN 0.203 nan 8.190 nan 0.000 0.461 297 A N -0.316 122.484 122.820 -0.034 0.000 1.858 297 A HA -0.274 4.048 4.320 0.002 0.000 0.216 297 A C 2.157 179.718 177.584 -0.039 0.000 1.190 297 A CA 2.086 54.101 52.037 -0.037 0.000 0.617 297 A CB -0.639 18.348 19.000 -0.022 0.000 0.827 297 A HN 0.568 nan 8.150 nan 0.000 0.443 298 E N 0.515 120.696 120.200 -0.032 0.000 2.097 298 E HA -0.144 4.208 4.350 0.002 0.000 0.196 298 E C 2.186 178.757 176.600 -0.050 0.000 1.000 298 E CA 1.872 58.252 56.400 -0.033 0.000 0.804 298 E CB -0.419 29.266 29.700 -0.024 0.000 0.740 298 E HN 0.513 nan 8.360 nan 0.000 0.454 299 S N -0.746 114.917 115.700 -0.063 0.000 2.368 299 S HA -0.131 4.341 4.470 0.002 0.000 0.225 299 S C 2.054 176.600 174.600 -0.090 0.000 1.030 299 S CA 1.146 59.291 58.200 -0.092 0.000 0.999 299 S CB -0.344 62.794 63.200 -0.104 0.000 0.844 299 S HN 0.168 nan 8.310 nan 0.000 0.459 300 V N 1.842 121.712 119.914 -0.075 0.000 2.407 300 V HA -0.167 3.954 4.120 0.002 0.000 0.248 300 V C 2.523 178.580 176.094 -0.062 0.000 1.055 300 V CA 1.703 63.960 62.300 -0.072 0.000 1.049 300 V CB -0.600 31.180 31.823 -0.071 0.000 0.662 300 V HN 0.378 nan 8.190 nan 0.000 0.455 301 R N -0.068 120.400 120.500 -0.053 0.000 2.082 301 R HA -0.141 4.201 4.340 0.002 0.000 0.228 301 R C 2.397 178.673 176.300 -0.040 0.000 1.140 301 R CA 1.930 58.006 56.100 -0.041 0.000 0.920 301 R CB -0.475 29.806 30.300 -0.031 0.000 0.828 301 R HN 0.419 nan 8.270 nan 0.000 0.430 302 L N 0.612 121.809 121.223 -0.043 0.000 2.030 302 L HA -0.308 4.034 4.340 0.002 0.000 0.222 302 L C 2.757 179.598 176.870 -0.049 0.000 1.082 302 L CA 1.851 56.665 54.840 -0.043 0.000 0.785 302 L CB -0.823 41.197 42.059 -0.065 0.000 0.895 302 L HN 0.411 nan 8.230 nan 0.000 0.439 303 A N -0.474 122.304 122.820 -0.071 0.000 1.978 303 A HA -0.142 4.179 4.320 0.002 0.000 0.220 303 A C 2.240 179.796 177.584 -0.047 0.000 1.170 303 A CA 1.583 53.578 52.037 -0.070 0.000 0.636 303 A CB -0.576 18.371 19.000 -0.088 0.000 0.810 303 A HN 0.432 nan 8.150 nan 0.000 0.448 304 L N -1.486 119.712 121.223 -0.043 0.000 2.446 304 L HA 0.033 4.375 4.340 0.002 0.000 0.219 304 L C 2.563 179.420 176.870 -0.023 0.000 1.116 304 L CA 0.728 55.547 54.840 -0.033 0.000 0.844 304 L CB -0.274 41.763 42.059 -0.037 0.000 0.970 304 L HN 0.430 nan 8.230 nan 0.000 0.457 305 A N -0.246 122.563 122.820 -0.019 0.000 2.238 305 A HA 0.254 4.575 4.320 0.002 0.000 0.208 305 A C 1.676 179.258 177.584 -0.003 0.000 1.177 305 A CA 0.623 52.654 52.037 -0.009 0.000 0.804 305 A CB -0.490 18.506 19.000 -0.006 0.000 0.823 305 A HN 0.464 nan 8.150 nan 0.000 0.482 306 G N -0.195 108.601 108.800 -0.006 0.000 2.283 306 G HA2 -0.265 3.696 3.960 0.002 0.000 0.280 306 G HA3 -0.265 3.696 3.960 0.002 0.000 0.280 306 G C -0.033 174.880 174.900 0.021 0.000 1.029 306 G CA 0.679 45.781 45.100 0.003 0.000 0.840 306 G HN 0.664 nan 8.290 nan 0.000 0.505 307 E N -1.417 118.796 120.200 0.021 0.000 2.280 307 E HA 0.536 4.888 4.350 0.002 0.000 0.261 307 E C 0.368 177.023 176.600 0.091 0.000 1.088 307 E CA -1.119 55.315 56.400 0.056 0.000 0.915 307 E CB 0.688 30.413 29.700 0.043 0.000 1.141 307 E HN 0.143 nan 8.360 nan 0.000 0.433 308 F N 1.307 121.237 119.950 -0.033 0.000 2.595 308 F HA 0.032 4.560 4.527 0.003 0.000 0.359 308 F C -0.300 175.455 175.800 -0.074 0.000 1.147 308 F CA -0.084 57.888 58.000 -0.048 0.000 1.341 308 F CB 0.482 39.470 39.000 -0.020 0.000 1.104 308 F HN 0.002 nan 8.300 nan 0.000 0.603 309 V N 8.754 128.151 119.914 -0.862 0.000 2.320 309 V HA 0.192 4.313 4.120 0.002 0.000 0.268 309 V C -1.692 173.696 176.094 -1.177 0.000 1.021 309 V CA -0.956 60.875 62.300 -0.782 0.000 0.813 309 V CB 1.021 32.572 31.823 -0.453 0.000 1.054 309 V HN 0.692 nan 8.190 nan 0.000 0.444 310 P HA -0.046 nan 4.420 nan 0.000 0.226 310 P C 0.564 177.748 177.300 -0.194 0.000 1.153 310 P CA 0.943 63.676 63.100 -0.611 0.000 0.777 310 P CB 0.549 32.171 31.700 -0.130 0.000 0.794 311 D N -0.315 119.932 120.400 -0.255 0.000 2.349 311 D HA 0.143 4.784 4.640 0.002 0.000 0.215 311 D C 0.890 177.109 176.300 -0.134 0.000 1.016 311 D CA 0.054 54.009 54.000 -0.075 0.000 0.870 311 D CB -0.569 40.188 40.800 -0.072 0.000 0.917 311 D HN 0.068 nan 8.370 nan 0.000 0.524 312 A N 0.382 122.937 122.820 -0.443 0.000 2.616 312 A HA -0.043 4.278 4.320 0.002 0.000 0.234 312 A C 1.498 178.989 177.584 -0.155 0.000 1.024 312 A CA 0.264 52.024 52.037 -0.463 0.000 0.758 312 A CB 0.474 18.955 19.000 -0.865 0.000 0.939 312 A HN 0.078 nan 8.150 nan 0.000 0.510 313 V N 2.428 122.317 119.914 -0.043 0.000 3.125 313 V HA 0.054 4.175 4.120 0.002 0.000 0.249 313 V C 1.012 177.172 176.094 0.109 0.000 1.113 313 V CA 1.607 63.958 62.300 0.085 0.000 1.106 313 V CB -0.890 30.958 31.823 0.041 0.000 0.768 313 V HN 1.084 nan 8.190 nan 0.000 0.468 314 N N -1.036 117.685 118.700 0.036 0.000 3.513 314 N HA 0.377 5.118 4.740 0.002 0.000 0.351 314 N C -1.100 174.426 175.510 0.027 0.000 1.624 314 N CA -0.522 52.562 53.050 0.057 0.000 0.712 314 N CB 1.731 40.239 38.487 0.034 0.000 2.106 314 N HN -0.159 nan 8.380 nan 0.000 0.649 315 V N -1.356 118.581 119.914 0.037 0.000 2.715 315 V HA 0.927 5.049 4.120 0.002 0.000 0.310 315 V C 0.148 176.249 176.094 0.013 0.000 1.054 315 V CA 0.041 62.360 62.300 0.032 0.000 0.928 315 V CB 0.986 32.848 31.823 0.064 0.000 1.007 315 V HN 1.134 nan 8.190 nan 0.000 0.437 316 G N 1.586 110.389 108.800 0.004 0.000 2.473 316 G HA2 0.649 4.610 3.960 0.002 0.000 0.298 316 G HA3 0.649 4.610 3.960 0.002 0.000 0.298 316 G C -0.370 174.528 174.900 -0.004 0.000 1.575 316 G CA 0.550 45.649 45.100 -0.001 0.000 0.846 316 G HN 1.655 nan 8.290 nan 0.000 0.585 317 G N -0.721 108.079 108.800 -0.000 0.000 2.829 317 G HA2 0.354 4.316 3.960 0.002 0.000 0.628 317 G HA3 0.354 4.316 3.960 0.002 0.000 0.628 317 G C 1.200 176.106 174.900 0.011 0.000 1.412 317 G CA 0.530 45.630 45.100 0.001 0.000 0.864 317 G HN 2.198 nan 8.290 nan 0.000 0.544 318 G N -0.862 107.945 108.800 0.012 0.000 2.780 318 G HA2 0.261 4.222 3.960 0.002 0.000 0.205 318 G HA3 0.261 4.222 3.960 0.002 0.000 0.205 318 G C 1.792 176.706 174.900 0.025 0.000 1.158 318 G CA 1.935 47.045 45.100 0.018 0.000 0.812 318 G HN 2.166 nan 8.290 nan 0.000 0.521 319 V N -2.635 117.296 119.914 0.028 0.000 3.284 319 V HA 0.185 4.306 4.120 0.002 0.000 0.273 319 V C 0.712 176.836 176.094 0.050 0.000 1.178 319 V CA 0.489 62.815 62.300 0.044 0.000 1.177 319 V CB -0.743 31.110 31.823 0.050 0.000 0.793 319 V HN 0.123 nan 8.190 nan 0.000 0.536 320 V N 0.983 120.923 119.914 0.043 0.000 2.737 320 V HA 0.433 4.555 4.120 0.002 0.000 0.298 320 V C -0.588 175.533 176.094 0.044 0.000 1.163 320 V CA -0.762 61.567 62.300 0.050 0.000 0.925 320 V CB 1.793 33.655 31.823 0.065 0.000 1.037 320 V HN 0.541 nan 8.190 nan 0.000 0.433 321 N N 3.988 122.713 118.700 0.041 0.000 2.407 321 N HA 0.001 4.743 4.740 0.002 0.000 0.250 321 N C 1.192 176.737 175.510 0.057 0.000 1.236 321 N CA 1.181 54.255 53.050 0.041 0.000 0.879 321 N CB 1.112 39.618 38.487 0.031 0.000 1.088 321 N HN 0.878 nan 8.380 nan 0.000 0.450 322 E N 2.122 122.354 120.200 0.053 0.000 2.171 322 E HA -0.254 4.098 4.350 0.002 0.000 0.197 322 E C 0.401 177.056 176.600 0.091 0.000 0.997 322 E CA 1.189 57.626 56.400 0.062 0.000 0.810 322 E CB 0.215 29.944 29.700 0.048 0.000 0.738 322 E HN 0.613 nan 8.360 nan 0.000 0.467 323 E N -0.110 120.146 120.200 0.093 0.000 2.112 323 E HA -0.083 4.269 4.350 0.002 0.000 0.190 323 E C 2.186 178.906 176.600 0.199 0.000 0.979 323 E CA 0.716 57.194 56.400 0.131 0.000 0.814 323 E CB 0.223 29.973 29.700 0.084 0.000 0.762 323 E HN 0.220 nan 8.360 nan 0.000 0.460 324 V N 1.392 121.385 119.914 0.133 0.000 2.951 324 V HA -0.070 4.051 4.120 0.002 0.000 0.255 324 V C 2.366 178.606 176.094 0.243 0.000 1.088 324 V CA 1.088 63.475 62.300 0.144 0.000 1.109 324 V CB -0.524 31.324 31.823 0.042 0.000 0.724 324 V HN 0.163 nan 8.190 nan 0.000 0.471 325 A N 1.338 124.263 122.820 0.176 0.000 1.884 325 A HA -0.179 4.142 4.320 0.002 0.000 0.219 325 A C 0.493 178.161 177.584 0.140 0.000 1.197 325 A CA 2.363 54.482 52.037 0.137 0.000 0.637 325 A CB -1.981 17.072 19.000 0.089 0.000 0.827 325 A HN 0.555 nan 8.150 nan 0.000 0.450 326 P HA -0.084 nan 4.420 nan 0.000 0.230 326 P C 0.426 177.682 177.300 -0.073 0.000 1.158 326 P CA 0.722 63.815 63.100 -0.012 0.000 0.769 326 P CB -0.160 31.480 31.700 -0.099 0.000 0.807 327 W N -1.530 119.774 121.300 0.007 0.000 2.905 327 W HA 0.077 4.738 4.660 0.002 0.000 0.251 327 W C 1.591 178.116 176.519 0.011 0.000 1.305 327 W CA -0.066 57.282 57.345 0.005 0.000 1.465 327 W CB -0.779 28.686 29.460 0.008 0.000 1.122 327 W HN -0.116 nan 8.180 nan 0.000 0.659 328 L N 0.349 121.688 121.223 0.194 0.000 1.976 328 L HA -0.234 4.107 4.340 0.002 0.000 0.209 328 L C 2.158 179.080 176.870 0.088 0.000 1.071 328 L CA 2.085 57.007 54.840 0.135 0.000 0.746 328 L CB -1.588 40.538 42.059 0.111 0.000 0.890 328 L HN -0.072 nan 8.230 nan 0.000 0.432 329 D N -0.787 119.641 120.400 0.046 0.000 2.133 329 D HA -0.221 4.421 4.640 0.002 0.000 0.195 329 D C 2.198 178.504 176.300 0.010 0.000 0.997 329 D CA 1.275 55.286 54.000 0.018 0.000 0.840 329 D CB -0.040 40.752 40.800 -0.012 0.000 0.947 329 D HN 0.184 nan 8.370 nan 0.000 0.452 330 L N -0.242 120.974 121.223 -0.011 0.000 2.027 330 L HA -0.058 4.283 4.340 0.002 0.000 0.206 330 L C 2.250 179.145 176.870 0.041 0.000 1.074 330 L CA 1.311 56.135 54.840 -0.027 0.000 0.745 330 L CB -0.612 41.376 42.059 -0.119 0.000 0.898 330 L HN -0.033 nan 8.230 nan 0.000 0.433 331 V N 0.379 120.355 119.914 0.103 0.000 2.407 331 V HA -0.276 3.846 4.120 0.002 0.000 0.248 331 V C 2.827 178.963 176.094 0.070 0.000 1.055 331 V CA 2.008 64.375 62.300 0.111 0.000 1.049 331 V CB -0.865 31.044 31.823 0.143 0.000 0.662 331 V HN 0.572 nan 8.190 nan 0.000 0.455 332 R N 0.366 120.902 120.500 0.061 0.000 2.096 332 R HA -0.270 4.071 4.340 0.002 0.000 0.240 332 R C 2.362 178.682 176.300 0.033 0.000 1.139 332 R CA 2.131 58.258 56.100 0.046 0.000 0.952 332 R CB -0.205 30.120 30.300 0.041 0.000 0.854 332 R HN 0.361 nan 8.270 nan 0.000 0.436 333 K N 0.320 120.735 120.400 0.025 0.000 2.063 333 K HA -0.112 4.209 4.320 0.002 0.000 0.208 333 K C 1.994 178.609 176.600 0.024 0.000 1.048 333 K CA 1.618 57.916 56.287 0.018 0.000 0.928 333 K CB -0.226 32.278 32.500 0.006 0.000 0.713 333 K HN 0.193 nan 8.250 nan 0.000 0.442 334 L N -0.494 120.748 121.223 0.032 0.000 2.042 334 L HA -0.178 4.164 4.340 0.002 0.000 0.210 334 L C 2.419 179.303 176.870 0.023 0.000 1.076 334 L CA 1.533 56.394 54.840 0.034 0.000 0.749 334 L CB -1.101 40.986 42.059 0.046 0.000 0.893 334 L HN 0.394 nan 8.230 nan 0.000 0.432 335 G N 0.124 108.938 108.800 0.023 0.000 2.480 335 G HA2 -0.238 3.723 3.960 0.002 0.000 0.216 335 G HA3 -0.238 3.723 3.960 0.002 0.000 0.216 335 G C 1.582 176.479 174.900 -0.006 0.000 1.200 335 G CA 1.148 46.254 45.100 0.010 0.000 0.782 335 G HN 0.173 nan 8.290 nan 0.000 0.554 336 V N 0.793 120.708 119.914 0.002 0.000 2.222 336 V HA -0.232 3.890 4.120 0.002 0.000 0.252 336 V C 2.816 178.911 176.094 0.001 0.000 1.060 336 V CA 1.933 64.234 62.300 0.001 0.000 1.027 336 V CB -0.759 31.070 31.823 0.011 0.000 0.644 336 V HN 0.277 nan 8.190 nan 0.000 0.448 337 L N 0.230 121.459 121.223 0.010 0.000 2.042 337 L HA -0.162 4.179 4.340 0.002 0.000 0.210 337 L C 2.502 179.375 176.870 0.004 0.000 1.076 337 L CA 2.391 57.240 54.840 0.016 0.000 0.749 337 L CB -1.265 40.812 42.059 0.030 0.000 0.893 337 L HN 0.334 nan 8.230 nan 0.000 0.432 338 A N -1.141 121.677 122.820 -0.003 0.000 1.930 338 A HA -0.039 4.282 4.320 0.002 0.000 0.217 338 A C 2.380 179.942 177.584 -0.037 0.000 1.175 338 A CA 1.398 53.426 52.037 -0.016 0.000 0.627 338 A CB -1.272 17.719 19.000 -0.016 0.000 0.815 338 A HN 0.466 nan 8.150 nan 0.000 0.443 339 G N -0.461 108.312 108.800 -0.045 0.000 2.446 339 G HA2 -0.147 3.815 3.960 0.002 0.000 0.217 339 G HA3 -0.147 3.815 3.960 0.002 0.000 0.217 339 G C 1.530 176.400 174.900 -0.050 0.000 1.168 339 G CA 1.305 46.364 45.100 -0.069 0.000 0.771 339 G HN 0.303 nan 8.290 nan 0.000 0.551 340 V N 0.932 120.834 119.914 -0.020 0.000 2.307 340 V HA -0.049 4.072 4.120 0.002 0.000 0.245 340 V C 2.727 178.812 176.094 -0.015 0.000 1.045 340 V CA 1.307 63.602 62.300 -0.008 0.000 1.024 340 V CB -0.336 31.494 31.823 0.011 0.000 0.651 340 V HN 0.337 nan 8.190 nan 0.000 0.449 341 L N -0.171 121.044 121.223 -0.015 0.000 2.622 341 L HA 0.019 4.360 4.340 0.002 0.000 0.233 341 L C 0.937 177.783 176.870 -0.041 0.000 1.156 341 L CA 0.179 55.006 54.840 -0.021 0.000 0.866 341 L CB -0.420 41.630 42.059 -0.016 0.000 0.980 341 L HN 0.157 nan 8.230 nan 0.000 0.448 342 S N -0.560 115.110 115.700 -0.050 0.000 2.585 342 S HA 0.092 4.564 4.470 0.002 0.000 0.277 342 S C 0.627 175.191 174.600 -0.061 0.000 1.241 342 S CA -0.761 57.403 58.200 -0.061 0.000 1.041 342 S CB 1.654 64.809 63.200 -0.075 0.000 0.987 342 S HN 0.120 nan 8.310 nan 0.000 0.512 343 D N 1.709 122.075 120.400 -0.058 0.000 2.097 343 D HA -0.051 4.591 4.640 0.002 0.000 0.195 343 D C 1.185 177.448 176.300 -0.061 0.000 0.989 343 D CA 1.276 55.247 54.000 -0.049 0.000 0.827 343 D CB 0.271 41.046 40.800 -0.042 0.000 0.966 343 D HN 0.799 nan 8.370 nan 0.000 0.456 344 E N -0.667 119.488 120.200 -0.076 0.000 2.476 344 E HA 0.211 4.562 4.350 0.002 0.000 0.246 344 E C -0.453 176.064 176.600 -0.138 0.000 0.872 344 E CA -0.838 55.501 56.400 -0.101 0.000 0.867 344 E CB 0.980 30.635 29.700 -0.075 0.000 1.533 344 E HN -0.118 nan 8.360 nan 0.000 0.399 345 L N 2.407 123.530 121.223 -0.167 0.000 2.361 345 L HA 0.307 4.649 4.340 0.002 0.000 0.278 345 L C -2.252 174.556 176.870 -0.103 0.000 1.113 345 L CA -1.375 53.352 54.840 -0.189 0.000 0.849 345 L CB 0.244 42.175 42.059 -0.214 0.000 1.155 345 L HN 0.408 nan 8.230 nan 0.000 0.452 346 P HA -0.057 nan 4.420 nan 0.000 0.266 346 P C 0.676 177.968 177.300 -0.012 0.000 1.195 346 P CA -0.014 63.056 63.100 -0.050 0.000 0.768 346 P CB 0.970 32.639 31.700 -0.052 0.000 0.838 347 V N 1.270 121.184 119.914 -0.001 0.000 3.041 347 V HA -0.009 4.113 4.120 0.002 0.000 0.260 347 V C 0.742 176.856 176.094 0.034 0.000 1.105 347 V CA 1.934 64.247 62.300 0.021 0.000 1.125 347 V CB -0.311 31.518 31.823 0.011 0.000 0.730 347 V HN 0.890 nan 8.190 nan 0.000 0.479 348 S N -1.007 114.707 115.700 0.024 0.000 2.543 348 S HA 0.511 4.983 4.470 0.002 0.000 0.274 348 S C -1.348 173.265 174.600 0.020 0.000 1.149 348 S CA -0.802 57.417 58.200 0.031 0.000 0.866 348 S CB 1.270 64.484 63.200 0.022 0.000 1.111 348 S HN 0.048 nan 8.310 nan 0.000 0.457 349 L N 2.268 123.508 121.223 0.030 0.000 2.295 349 L HA 0.635 4.976 4.340 0.002 0.000 0.285 349 L C 0.118 176.997 176.870 0.015 0.000 1.035 349 L CA -0.647 54.205 54.840 0.019 0.000 0.806 349 L CB 1.899 43.975 42.059 0.029 0.000 1.214 349 L HN 0.824 nan 8.230 nan 0.000 0.426 350 S N 2.522 118.227 115.700 0.008 0.000 2.475 350 S HA 0.332 4.804 4.470 0.002 0.000 0.249 350 S C -0.331 174.272 174.600 0.005 0.000 1.298 350 S CA -0.554 57.649 58.200 0.005 0.000 1.125 350 S CB 0.281 63.481 63.200 0.001 0.000 1.054 350 S HN 0.293 nan 8.310 nan 0.000 0.484 351 V N 5.280 125.198 119.914 0.008 0.000 2.479 351 V HA 0.255 4.376 4.120 0.002 0.000 0.281 351 V C 0.429 176.522 176.094 -0.002 0.000 1.031 351 V CA -0.067 62.238 62.300 0.008 0.000 1.038 351 V CB 0.889 32.720 31.823 0.012 0.000 0.981 351 V HN 0.757 nan 8.190 nan 0.000 0.478 352 Q N 4.320 124.119 119.800 -0.002 0.000 2.333 352 Q HA 0.583 4.925 4.340 0.002 0.000 0.265 352 Q C -1.455 174.530 176.000 -0.025 0.000 0.989 352 Q CA -0.466 55.330 55.803 -0.012 0.000 0.842 352 Q CB 1.979 30.715 28.738 -0.005 0.000 1.262 352 Q HN 0.591 nan 8.270 nan 0.000 0.451 353 V N 5.343 125.228 119.914 -0.048 0.000 2.357 353 V HA 0.533 4.655 4.120 0.002 0.000 0.284 353 V C -0.488 175.554 176.094 -0.086 0.000 1.018 353 V CA -0.507 61.739 62.300 -0.091 0.000 0.841 353 V CB 1.410 33.156 31.823 -0.128 0.000 0.991 353 V HN 0.779 nan 8.190 nan 0.000 0.437 354 R N 2.785 123.237 120.500 -0.079 0.000 2.803 354 R HA 0.875 5.217 4.340 0.002 0.000 0.276 354 R C 0.554 176.821 176.300 -0.055 0.000 0.978 354 R CA 0.096 56.166 56.100 -0.051 0.000 0.939 354 R CB 1.993 32.285 30.300 -0.012 0.000 1.179 354 R HN 1.000 nan 8.270 nan 0.000 0.472 355 G N 1.029 109.806 108.800 -0.038 0.000 2.481 355 G HA2 -0.280 3.681 3.960 0.002 0.000 0.230 355 G HA3 -0.280 3.681 3.960 0.002 0.000 0.230 355 G C 0.565 175.439 174.900 -0.043 0.000 1.210 355 G CA 0.072 45.158 45.100 -0.023 0.000 0.936 355 G HN 0.636 nan 8.290 nan 0.000 0.583 356 E N -0.174 120.009 120.200 -0.028 0.000 2.085 356 E HA -0.121 4.230 4.350 0.002 0.000 0.194 356 E C 2.663 179.215 176.600 -0.081 0.000 0.994 356 E CA 1.399 57.780 56.400 -0.032 0.000 0.801 356 E CB -0.061 29.643 29.700 0.007 0.000 0.743 356 E HN 0.356 nan 8.360 nan 0.000 0.453 357 L N 1.269 122.395 121.223 -0.161 0.000 2.189 357 L HA -0.174 4.168 4.340 0.002 0.000 0.214 357 L C 2.192 178.940 176.870 -0.204 0.000 1.097 357 L CA 1.651 56.325 54.840 -0.277 0.000 0.764 357 L CB -0.512 41.192 42.059 -0.592 0.000 0.900 357 L HN 0.060 nan 8.230 nan 0.000 0.436 358 A N -1.054 121.676 122.820 -0.151 0.000 2.234 358 A HA -0.026 4.295 4.320 0.002 0.000 0.216 358 A C 2.270 179.806 177.584 -0.080 0.000 1.167 358 A CA 1.325 53.297 52.037 -0.108 0.000 0.698 358 A CB -0.839 18.114 19.000 -0.079 0.000 0.779 358 A HN 0.521 nan 8.150 nan 0.000 0.475 359 A N -0.857 121.918 122.820 -0.075 0.000 2.178 359 A HA 0.194 4.515 4.320 0.002 0.000 0.211 359 A C 0.777 178.329 177.584 -0.053 0.000 1.157 359 A CA 0.107 52.112 52.037 -0.052 0.000 0.780 359 A CB 0.030 19.007 19.000 -0.038 0.000 0.828 359 A HN 0.401 nan 8.150 nan 0.000 0.476 360 E N 1.302 121.458 120.200 -0.074 0.000 2.314 360 E HA 0.248 4.600 4.350 0.002 0.000 0.262 360 E C -0.548 176.018 176.600 -0.056 0.000 1.093 360 E CA -0.485 55.877 56.400 -0.063 0.000 0.908 360 E CB 0.344 29.993 29.700 -0.086 0.000 1.091 360 E HN 0.274 nan 8.360 nan 0.000 0.425 361 E N 1.290 121.467 120.200 -0.038 0.000 2.328 361 E HA 0.072 4.423 4.350 0.002 0.000 0.265 361 E C 0.501 177.079 176.600 -0.035 0.000 1.057 361 E CA 0.039 56.419 56.400 -0.033 0.000 0.916 361 E CB 0.426 30.114 29.700 -0.020 0.000 0.993 361 E HN 0.270 nan 8.360 nan 0.000 0.446 362 V N -0.147 119.740 119.914 -0.044 0.000 3.166 362 V HA 0.151 4.272 4.120 0.002 0.000 0.332 362 V C 1.362 177.443 176.094 -0.023 0.000 1.434 362 V CA -0.356 61.916 62.300 -0.046 0.000 1.121 362 V CB 0.444 32.212 31.823 -0.091 0.000 1.062 362 V HN 0.303 nan 8.190 nan 0.000 0.489 363 E N 2.168 122.356 120.200 -0.020 0.000 2.077 363 E HA -0.158 4.193 4.350 0.002 0.000 0.193 363 E C 2.124 178.735 176.600 0.018 0.000 0.989 363 E CA 2.180 58.570 56.400 -0.017 0.000 0.800 363 E CB -0.307 29.365 29.700 -0.046 0.000 0.746 363 E HN 0.697 nan 8.360 nan 0.000 0.452 364 V N -0.369 119.573 119.914 0.047 0.000 2.363 364 V HA -0.337 3.784 4.120 0.002 0.000 0.254 364 V C 2.183 178.327 176.094 0.084 0.000 1.074 364 V CA 2.003 64.361 62.300 0.098 0.000 1.069 364 V CB -1.067 30.826 31.823 0.116 0.000 0.659 364 V HN 0.234 nan 8.190 nan 0.000 0.455 365 L N -0.221 121.037 121.223 0.059 0.000 2.131 365 L HA -0.132 4.209 4.340 0.002 0.000 0.210 365 L C 2.952 179.853 176.870 0.052 0.000 1.092 365 L CA 2.175 57.054 54.840 0.064 0.000 0.759 365 L CB -0.758 41.330 42.059 0.048 0.000 0.903 365 L HN 0.319 nan 8.230 nan 0.000 0.435 366 R N 1.027 121.548 120.500 0.034 0.000 2.083 366 R HA -0.181 4.160 4.340 0.002 0.000 0.237 366 R C 2.318 178.638 176.300 0.034 0.000 1.137 366 R CA 1.530 57.647 56.100 0.029 0.000 0.951 366 R CB -0.285 30.024 30.300 0.015 0.000 0.851 366 R HN 0.317 nan 8.270 nan 0.000 0.434 367 L N 0.109 121.355 121.223 0.040 0.000 2.079 367 L HA -0.163 4.178 4.340 0.002 0.000 0.210 367 L C 2.556 179.442 176.870 0.026 0.000 1.081 367 L CA 1.292 56.140 54.840 0.014 0.000 0.752 367 L CB -0.450 41.635 42.059 0.044 0.000 0.896 367 L HN 0.217 nan 8.230 nan 0.000 0.433 368 S N -0.023 115.712 115.700 0.059 0.000 2.348 368 S HA -0.160 4.311 4.470 0.002 0.000 0.221 368 S C 2.274 176.908 174.600 0.057 0.000 1.033 368 S CA 1.190 59.429 58.200 0.065 0.000 1.010 368 S CB -0.320 62.930 63.200 0.084 0.000 0.891 368 S HN 0.489 nan 8.310 nan 0.000 0.442 369 A N 1.795 124.648 122.820 0.056 0.000 1.869 369 A HA -0.178 4.143 4.320 0.002 0.000 0.218 369 A C 2.133 179.754 177.584 0.062 0.000 1.203 369 A CA 1.800 53.867 52.037 0.051 0.000 0.638 369 A CB -1.120 17.906 19.000 0.044 0.000 0.831 369 A HN 0.471 nan 8.150 nan 0.000 0.450 370 L N -1.260 120.013 121.223 0.083 0.000 2.013 370 L HA -0.220 4.121 4.340 0.002 0.000 0.212 370 L C 2.813 179.794 176.870 0.185 0.000 1.073 370 L CA 1.736 56.677 54.840 0.168 0.000 0.753 370 L CB -0.575 41.566 42.059 0.138 0.000 0.890 370 L HN 0.389 nan 8.230 nan 0.000 0.432 371 R N 0.524 121.076 120.500 0.087 0.000 2.193 371 R HA -0.129 4.212 4.340 0.002 0.000 0.229 371 R C 1.927 178.272 176.300 0.076 0.000 1.110 371 R CA 1.303 57.446 56.100 0.072 0.000 0.988 371 R CB -0.364 29.956 30.300 0.032 0.000 0.871 371 R HN 0.474 nan 8.270 nan 0.000 0.458 372 G N 0.907 109.743 108.800 0.061 0.000 2.518 372 G HA2 -0.209 3.752 3.960 0.002 0.000 0.213 372 G HA3 -0.209 3.752 3.960 0.002 0.000 0.213 372 G C 1.285 176.187 174.900 0.003 0.000 1.226 372 G CA 0.180 45.298 45.100 0.031 0.000 0.822 372 G HN 0.282 nan 8.290 nan 0.000 0.546 373 L N 0.005 121.205 121.223 -0.037 0.000 2.123 373 L HA -0.073 4.269 4.340 0.002 0.000 0.217 373 L C 1.748 178.425 176.870 -0.323 0.000 1.081 373 L CA 1.596 56.321 54.840 -0.191 0.000 0.772 373 L CB -0.578 41.298 42.059 -0.305 0.000 0.890 373 L HN 0.230 nan 8.230 nan 0.000 0.437 374 F N -1.752 118.205 119.950 0.011 0.000 2.647 374 F HA 0.197 4.725 4.527 0.002 0.000 0.300 374 F C 2.079 177.774 175.800 -0.175 0.000 1.106 374 F CA 0.119 58.056 58.000 -0.106 0.000 1.313 374 F CB -0.316 38.628 39.000 -0.093 0.000 1.007 374 F HN -0.129 nan 8.300 nan 0.000 0.536 375 S N 0.680 116.373 115.700 -0.012 0.000 2.392 375 S HA -0.302 4.169 4.470 0.002 0.000 0.232 375 S C 2.447 176.997 174.600 -0.084 0.000 1.041 375 S CA 1.527 59.712 58.200 -0.025 0.000 1.026 375 S CB -0.277 62.917 63.200 -0.010 0.000 0.845 375 S HN 0.494 nan 8.310 nan 0.000 0.465 376 A N 0.531 123.238 122.820 -0.188 0.000 2.015 376 A HA -0.007 4.315 4.320 0.002 0.000 0.219 376 A C 1.813 179.249 177.584 -0.247 0.000 1.163 376 A CA 1.499 53.404 52.037 -0.219 0.000 0.646 376 A CB -0.360 18.474 19.000 -0.277 0.000 0.806 376 A HN 0.694 nan 8.150 nan 0.000 0.448 377 V N -3.133 116.596 119.914 -0.309 0.000 3.006 377 V HA 0.546 4.668 4.120 0.002 0.000 0.357 377 V C -0.147 175.893 176.094 -0.090 0.000 1.377 377 V CA -0.406 61.785 62.300 -0.182 0.000 1.198 377 V CB -0.761 30.941 31.823 -0.202 0.000 1.216 377 V HN 0.269 nan 8.190 nan 0.000 0.520 378 I N 0.752 121.284 120.570 -0.063 0.000 2.465 378 I HA 0.515 4.686 4.170 0.002 0.000 0.291 378 I C 0.194 176.300 176.117 -0.018 0.000 1.014 378 I CA -0.557 60.724 61.300 -0.031 0.000 1.093 378 I CB 2.310 40.304 38.000 -0.010 0.000 1.267 378 I HN 0.185 nan 8.210 nan 0.000 0.431 379 E N 3.579 123.774 120.200 -0.008 0.000 2.392 379 E HA 0.011 4.362 4.350 0.002 0.000 0.256 379 E C 0.129 176.735 176.600 0.009 0.000 1.145 379 E CA -0.313 56.088 56.400 0.002 0.000 0.929 379 E CB 0.946 30.651 29.700 0.008 0.000 0.998 379 E HN 0.466 nan 8.360 nan 0.000 0.442 380 D N 1.136 121.544 120.400 0.012 0.000 2.081 380 D HA -0.197 4.444 4.640 0.002 0.000 0.194 380 D C 1.794 178.107 176.300 0.021 0.000 0.986 380 D CA 1.742 55.751 54.000 0.015 0.000 0.837 380 D CB -0.542 40.267 40.800 0.014 0.000 0.985 380 D HN 0.518 nan 8.370 nan 0.000 0.448 381 A N 1.134 123.967 122.820 0.022 0.000 1.958 381 A HA -0.149 4.172 4.320 0.002 0.000 0.221 381 A C 1.277 178.883 177.584 0.037 0.000 1.178 381 A CA 0.852 52.905 52.037 0.025 0.000 0.642 381 A CB -0.784 18.229 19.000 0.021 0.000 0.816 381 A HN 0.166 nan 8.150 nan 0.000 0.453 382 V N 0.486 120.423 119.914 0.040 0.000 2.540 382 V HA 0.143 4.264 4.120 0.002 0.000 0.297 382 V C 1.224 177.356 176.094 0.063 0.000 1.024 382 V CA 1.094 63.430 62.300 0.059 0.000 1.105 382 V CB 0.654 32.505 31.823 0.048 0.000 0.938 382 V HN 0.474 nan 8.190 nan 0.000 0.482 383 T N 3.571 118.184 114.554 0.098 0.000 3.058 383 T HA 0.217 4.568 4.350 0.002 0.000 0.247 383 T C 0.211 174.997 174.700 0.143 0.000 0.987 383 T CA 0.060 62.222 62.100 0.102 0.000 1.062 383 T CB 0.201 69.132 68.868 0.105 0.000 1.048 383 T HN 0.502 nan 8.240 nan 0.000 0.468 384 F N 4.153 124.123 119.950 0.033 0.000 2.371 384 F HA 0.604 5.133 4.527 0.002 0.000 0.329 384 F C -0.522 175.300 175.800 0.035 0.000 1.107 384 F CA -1.143 56.885 58.000 0.047 0.000 1.137 384 F CB 0.895 39.924 39.000 0.048 0.000 1.214 384 F HN -0.013 nan 8.300 nan 0.000 0.536 385 V N 1.386 120.695 119.914 -1.008 0.000 3.159 385 V HA 0.428 4.550 4.120 0.002 0.000 0.308 385 V C -0.848 174.467 176.094 -1.298 0.000 1.190 385 V CA -1.320 60.402 62.300 -0.963 0.000 1.037 385 V CB 1.381 32.988 31.823 -0.359 0.000 1.060 385 V HN 0.850 nan 8.190 nan 0.000 0.437 386 N N 1.199 119.576 118.700 -0.539 0.000 2.406 386 N HA 0.307 5.049 4.740 0.002 0.000 0.274 386 N C 0.995 176.414 175.510 -0.151 0.000 1.249 386 N CA 0.760 53.707 53.050 -0.172 0.000 0.951 386 N CB 1.448 39.951 38.487 0.027 0.000 1.241 386 N HN 0.992 nan 8.380 nan 0.000 0.485 387 A N 6.667 129.426 122.820 -0.102 0.000 1.855 387 A HA -0.019 4.303 4.320 0.002 0.000 0.215 387 A C -0.425 177.145 177.584 -0.023 0.000 1.191 387 A CA 0.999 52.998 52.037 -0.064 0.000 0.613 387 A CB -1.148 17.838 19.000 -0.022 0.000 0.829 387 A HN 0.518 nan 8.150 nan 0.000 0.442 388 P HA -0.190 nan 4.420 nan 0.000 0.216 388 P C 1.661 178.963 177.300 0.004 0.000 1.154 388 P CA 2.205 65.323 63.100 0.029 0.000 0.865 388 P CB -0.102 31.641 31.700 0.072 0.000 0.789 389 A N -1.052 121.765 122.820 -0.006 0.000 1.898 389 A HA -0.116 4.205 4.320 0.002 0.000 0.214 389 A C 2.113 179.650 177.584 -0.078 0.000 1.183 389 A CA 1.098 53.117 52.037 -0.030 0.000 0.622 389 A CB -1.583 17.404 19.000 -0.022 0.000 0.824 389 A HN 0.141 nan 8.150 nan 0.000 0.444 390 L N 0.169 121.321 121.223 -0.120 0.000 2.013 390 L HA -0.169 4.173 4.340 0.002 0.000 0.212 390 L C 2.642 179.423 176.870 -0.149 0.000 1.073 390 L CA 2.383 57.103 54.840 -0.199 0.000 0.753 390 L CB -0.857 41.058 42.059 -0.240 0.000 0.890 390 L HN 0.361 nan 8.230 nan 0.000 0.432 391 A N -0.470 122.302 122.820 -0.079 0.000 1.865 391 A HA -0.147 4.175 4.320 0.002 0.000 0.217 391 A C 2.445 180.009 177.584 -0.034 0.000 1.191 391 A CA 2.134 54.149 52.037 -0.037 0.000 0.623 391 A CB -1.362 17.630 19.000 -0.012 0.000 0.826 391 A HN 0.607 nan 8.150 nan 0.000 0.444 392 A N -0.960 121.840 122.820 -0.033 0.000 2.019 392 A HA -0.154 4.167 4.320 0.002 0.000 0.219 392 A C 2.021 179.584 177.584 -0.035 0.000 1.164 392 A CA 1.844 53.867 52.037 -0.025 0.000 0.644 392 A CB -0.359 18.630 19.000 -0.018 0.000 0.805 392 A HN 0.719 nan 8.150 nan 0.000 0.449 393 E N -1.146 119.018 120.200 -0.059 0.000 2.132 393 E HA 0.005 4.356 4.350 0.002 0.000 0.193 393 E C 1.915 178.479 176.600 -0.060 0.000 0.951 393 E CA 0.124 56.483 56.400 -0.068 0.000 0.843 393 E CB 0.112 29.752 29.700 -0.099 0.000 0.807 393 E HN 0.464 nan 8.360 nan 0.000 0.467 394 R N -1.030 119.424 120.500 -0.076 0.000 2.344 394 R HA 0.179 4.521 4.340 0.002 0.000 0.209 394 R C 0.854 177.166 176.300 0.020 0.000 0.886 394 R CA 0.697 56.776 56.100 -0.035 0.000 1.040 394 R CB 1.354 31.589 30.300 -0.108 0.000 1.114 394 R HN 0.295 nan 8.270 nan 0.000 0.547 395 G N 1.707 110.508 108.800 0.003 0.000 2.149 395 G HA2 -0.221 3.741 3.960 0.002 0.000 0.235 395 G HA3 -0.221 3.741 3.960 0.002 0.000 0.235 395 G C -0.115 174.819 174.900 0.056 0.000 1.018 395 G CA 0.130 45.244 45.100 0.025 0.000 0.728 395 G HN 0.114 nan 8.290 nan 0.000 0.508 396 V N 0.911 120.877 119.914 0.087 0.000 2.555 396 V HA 0.876 4.998 4.120 0.002 0.000 0.302 396 V C 0.697 176.848 176.094 0.096 0.000 1.038 396 V CA 0.083 62.465 62.300 0.136 0.000 0.887 396 V CB 1.800 33.815 31.823 0.319 0.000 0.991 396 V HN 0.836 nan 8.190 nan 0.000 0.434 397 T N 1.038 115.637 114.554 0.075 0.000 2.927 397 T HA 0.948 5.300 4.350 0.002 0.000 0.286 397 T C -0.439 174.293 174.700 0.054 0.000 1.040 397 T CA -0.519 61.611 62.100 0.050 0.000 1.010 397 T CB 2.217 71.102 68.868 0.028 0.000 1.177 397 T HN 1.264 nan 8.240 nan 0.000 0.546 398 A N 0.848 123.689 122.820 0.036 0.000 2.515 398 A HA 0.807 5.128 4.320 0.002 0.000 0.298 398 A C -0.922 176.671 177.584 0.015 0.000 1.059 398 A CA -1.033 51.023 52.037 0.031 0.000 0.698 398 A CB 1.438 20.461 19.000 0.038 0.000 1.289 398 A HN 1.113 nan 8.150 nan 0.000 0.404 399 E N 1.429 121.636 120.200 0.010 0.000 2.393 399 E HA 0.750 5.102 4.350 0.002 0.000 0.273 399 E C -1.285 175.314 176.600 -0.002 0.000 0.918 399 E CA -0.859 55.542 56.400 0.001 0.000 0.773 399 E CB 1.593 31.293 29.700 -0.001 0.000 1.275 399 E HN 0.366 nan 8.360 nan 0.000 0.451 400 I N 0.847 121.411 120.570 -0.010 0.000 2.607 400 I HA 0.414 4.585 4.170 0.002 0.000 0.305 400 I C -0.574 175.532 176.117 -0.018 0.000 0.995 400 I CA -0.917 60.373 61.300 -0.015 0.000 1.148 400 I CB 1.470 39.457 38.000 -0.022 0.000 1.323 400 I HN 0.727 nan 8.210 nan 0.000 0.461 401 C N 4.576 123.863 119.300 -0.021 0.000 2.481 401 C HA 0.430 4.891 4.460 0.002 0.000 0.324 401 C C 0.136 175.108 174.990 -0.031 0.000 1.170 401 C CA -1.153 57.851 59.018 -0.023 0.000 1.361 401 C CB 1.611 29.341 27.740 -0.017 0.000 1.977 401 C HN 0.699 nan 8.230 nan 0.000 0.459 402 K N 1.524 121.903 120.400 -0.035 0.000 2.087 402 K HA 0.838 5.159 4.320 0.002 0.000 0.255 402 K C -0.339 176.240 176.600 -0.035 0.000 0.988 402 K CA -0.172 56.089 56.287 -0.044 0.000 0.915 402 K CB 1.539 34.011 32.500 -0.047 0.000 1.043 402 K HN 0.839 nan 8.250 nan 0.000 0.457 403 A N 0.840 123.637 122.820 -0.038 0.000 2.459 403 A HA 0.322 4.644 4.320 0.002 0.000 0.296 403 A C 0.333 177.899 177.584 -0.029 0.000 1.039 403 A CA -0.739 51.282 52.037 -0.027 0.000 0.698 403 A CB 1.428 20.416 19.000 -0.020 0.000 1.261 403 A HN 0.636 nan 8.150 nan 0.000 0.405 404 S N 0.781 116.467 115.700 -0.024 0.000 2.359 404 S HA -0.143 4.328 4.470 0.002 0.000 0.222 404 S C 0.949 175.538 174.600 -0.019 0.000 1.038 404 S CA 1.696 59.883 58.200 -0.023 0.000 1.051 404 S CB -0.233 62.956 63.200 -0.018 0.000 0.944 404 S HN 0.811 nan 8.310 nan 0.000 0.433 405 E N 1.445 121.637 120.200 -0.014 0.000 2.289 405 E HA 0.287 4.638 4.350 0.002 0.000 0.278 405 E C -0.832 175.766 176.600 -0.003 0.000 1.032 405 E CA -0.194 56.200 56.400 -0.009 0.000 0.854 405 E CB 0.716 30.410 29.700 -0.009 0.000 1.046 405 E HN 0.195 nan 8.360 nan 0.000 0.409 406 S N 4.954 120.656 115.700 0.003 0.000 2.449 406 S HA 0.362 4.834 4.470 0.002 0.000 0.310 406 S C -1.672 172.932 174.600 0.007 0.000 1.096 406 S CA -1.638 56.574 58.200 0.020 0.000 1.095 406 S CB 1.336 64.564 63.200 0.045 0.000 1.007 406 S HN 0.477 nan 8.310 nan 0.000 0.474 407 P HA -0.034 nan 4.420 nan 0.000 0.217 407 P C 0.603 177.858 177.300 -0.075 0.000 1.151 407 P CA 1.234 64.314 63.100 -0.034 0.000 0.828 407 P CB 0.185 31.865 31.700 -0.034 0.000 0.788 408 N N -1.579 117.064 118.700 -0.095 0.000 2.905 408 N HA -0.019 4.723 4.740 0.002 0.000 0.237 408 N C 0.705 176.064 175.510 -0.253 0.000 1.017 408 N CA 0.254 53.168 53.050 -0.227 0.000 1.127 408 N CB -0.167 38.100 38.487 -0.367 0.000 1.608 408 N HN -0.033 nan 8.380 nan 0.000 0.522 409 H N 0.690 119.760 119.070 0.001 0.000 2.603 409 H HA 0.227 4.784 4.556 0.002 0.000 0.370 409 H C 0.777 176.132 175.328 0.044 0.000 1.225 409 H CA 0.007 56.077 56.048 0.037 0.000 1.410 409 H CB 1.108 30.932 29.762 0.103 0.000 1.495 409 H HN 0.226 nan 8.280 nan 0.000 0.602 410 R N 0.442 121.054 120.500 0.186 0.000 2.092 410 R HA 0.020 4.362 4.340 0.002 0.000 0.231 410 R C 0.084 176.455 176.300 0.119 0.000 1.119 410 R CA 0.930 57.100 56.100 0.118 0.000 0.970 410 R CB 0.253 30.620 30.300 0.111 0.000 0.864 410 R HN 0.329 nan 8.270 nan 0.000 0.440 411 S N -0.228 115.585 115.700 0.188 0.000 2.538 411 S HA 0.516 4.987 4.470 0.002 0.000 0.288 411 S C -1.373 173.363 174.600 0.226 0.000 1.108 411 S CA -0.763 57.507 58.200 0.118 0.000 0.971 411 S CB 2.811 66.039 63.200 0.047 0.000 1.041 411 S HN -0.007 nan 8.310 nan 0.000 0.483 412 V N 3.086 123.066 119.914 0.110 0.000 2.969 412 V HA 0.681 4.803 4.120 0.002 0.000 0.304 412 V C -1.609 174.527 176.094 0.070 0.000 1.192 412 V CA -0.467 61.935 62.300 0.171 0.000 0.962 412 V CB 2.139 34.056 31.823 0.157 0.000 1.045 412 V HN 0.701 nan 8.190 nan 0.000 0.428 413 V N 5.278 125.278 119.914 0.144 0.000 2.459 413 V HA 0.631 4.753 4.120 0.002 0.000 0.295 413 V C -0.875 175.266 176.094 0.078 0.000 1.029 413 V CA -0.542 61.806 62.300 0.080 0.000 0.874 413 V CB 1.903 33.816 31.823 0.150 0.000 0.985 413 V HN 0.908 nan 8.190 nan 0.000 0.438 414 D N 3.373 123.798 120.400 0.042 0.000 2.375 414 D HA 0.486 5.128 4.640 0.002 0.000 0.247 414 D C -0.758 175.557 176.300 0.025 0.000 1.061 414 D CA -0.225 53.795 54.000 0.033 0.000 0.834 414 D CB 2.596 43.410 40.800 0.023 0.000 1.247 414 D HN 0.224 nan 8.370 nan 0.000 0.489 415 V N 3.124 123.051 119.914 0.022 0.000 2.357 415 V HA 0.318 4.439 4.120 0.002 0.000 0.284 415 V C 0.279 176.376 176.094 0.005 0.000 1.018 415 V CA -0.655 61.655 62.300 0.017 0.000 0.841 415 V CB 1.137 32.973 31.823 0.022 0.000 0.991 415 V HN 0.281 nan 8.190 nan 0.000 0.437 416 R N 3.729 124.230 120.500 0.002 0.000 2.233 416 R HA 0.611 4.953 4.340 0.002 0.000 0.334 416 R C 0.168 176.463 176.300 -0.009 0.000 1.037 416 R CA -0.242 55.854 56.100 -0.006 0.000 0.920 416 R CB 1.342 31.638 30.300 -0.006 0.000 1.137 416 R HN 0.805 nan 8.270 nan 0.000 0.492 417 A N 3.132 125.943 122.820 -0.016 0.000 2.396 417 A HA 0.212 4.534 4.320 0.002 0.000 0.279 417 A C 0.193 177.763 177.584 -0.022 0.000 1.165 417 A CA -0.457 51.567 52.037 -0.022 0.000 0.824 417 A CB 0.502 19.481 19.000 -0.035 0.000 1.100 417 A HN 0.544 nan 8.150 nan 0.000 0.516 418 V N 3.427 123.331 119.914 -0.016 0.000 2.439 418 V HA 0.761 4.882 4.120 0.002 0.000 0.282 418 V C 0.602 176.684 176.094 -0.019 0.000 1.039 418 V CA 0.211 62.501 62.300 -0.016 0.000 0.913 418 V CB 0.943 32.760 31.823 -0.011 0.000 0.983 418 V HN 1.102 nan 8.190 nan 0.000 0.460 419 G N 3.950 112.736 108.800 -0.024 0.000 2.476 419 G HA2 0.503 4.465 3.960 0.002 0.000 0.269 419 G HA3 0.503 4.465 3.960 0.002 0.000 0.269 419 G C 0.979 175.868 174.900 -0.019 0.000 1.195 419 G CA -0.132 44.952 45.100 -0.026 0.000 0.843 419 G HN 1.639 nan 8.290 nan 0.000 0.545 420 A N 1.216 124.026 122.820 -0.017 0.000 1.986 420 A HA -0.150 4.171 4.320 0.002 0.000 0.220 420 A C 1.927 179.504 177.584 -0.012 0.000 1.171 420 A CA 2.221 54.251 52.037 -0.011 0.000 0.640 420 A CB -0.234 18.759 19.000 -0.010 0.000 0.811 420 A HN 0.692 nan 8.150 nan 0.000 0.451 421 D N -2.630 117.760 120.400 -0.016 0.000 2.340 421 D HA 0.268 4.910 4.640 0.002 0.000 0.220 421 D C 1.171 177.462 176.300 -0.015 0.000 1.039 421 D CA 1.104 55.094 54.000 -0.015 0.000 0.866 421 D CB -0.346 40.444 40.800 -0.018 0.000 0.913 421 D HN 0.832 nan 8.370 nan 0.000 0.523 422 G N 0.394 109.185 108.800 -0.016 0.000 2.213 422 G HA2 -0.268 3.694 3.960 0.002 0.000 0.226 422 G HA3 -0.268 3.694 3.960 0.002 0.000 0.226 422 G C 0.421 175.310 174.900 -0.019 0.000 0.992 422 G CA 0.300 45.391 45.100 -0.015 0.000 0.632 422 G HN 0.785 nan 8.290 nan 0.000 0.511 423 S N -0.520 115.166 115.700 -0.023 0.000 2.600 423 S HA 0.687 5.159 4.470 0.002 0.000 0.265 423 S C 0.047 174.630 174.600 -0.029 0.000 1.325 423 S CA 0.242 58.425 58.200 -0.028 0.000 1.002 423 S CB 2.174 65.353 63.200 -0.035 0.000 0.921 423 S HN 1.301 nan 8.310 nan 0.000 0.554 424 V N 1.477 121.373 119.914 -0.031 0.000 2.638 424 V HA 0.515 4.637 4.120 0.002 0.000 0.306 424 V C -0.493 175.580 176.094 -0.036 0.000 1.052 424 V CA -0.875 61.407 62.300 -0.030 0.000 0.885 424 V CB 1.636 33.445 31.823 -0.024 0.000 0.999 424 V HN 0.846 nan 8.190 nan 0.000 0.424 425 V N 3.039 122.931 119.914 -0.036 0.000 2.483 425 V HA 0.632 4.754 4.120 0.002 0.000 0.295 425 V C 0.196 176.273 176.094 -0.027 0.000 1.035 425 V CA -0.127 62.150 62.300 -0.038 0.000 0.896 425 V CB 2.184 33.983 31.823 -0.040 0.000 0.986 425 V HN 1.010 nan 8.190 nan 0.000 0.447 426 T N 3.875 118.413 114.554 -0.027 0.000 2.824 426 T HA 0.687 5.038 4.350 0.002 0.000 0.282 426 T C -0.733 173.958 174.700 -0.016 0.000 0.993 426 T CA -0.445 61.643 62.100 -0.020 0.000 0.967 426 T CB 1.670 70.523 68.868 -0.024 0.000 0.960 426 T HN 0.376 nan 8.240 nan 0.000 0.441 427 V N 2.332 122.244 119.914 -0.003 0.000 2.638 427 V HA 0.658 4.780 4.120 0.002 0.000 0.306 427 V C -0.341 175.760 176.094 0.012 0.000 1.052 427 V CA -0.789 61.515 62.300 0.008 0.000 0.885 427 V CB 2.160 33.997 31.823 0.024 0.000 0.999 427 V HN 0.936 nan 8.190 nan 0.000 0.424 428 S N 1.909 117.610 115.700 0.001 0.000 2.513 428 S HA 0.912 5.384 4.470 0.002 0.000 0.299 428 S C 0.173 174.784 174.600 0.018 0.000 1.087 428 S CA -0.380 57.831 58.200 0.017 0.000 1.012 428 S CB 2.047 65.251 63.200 0.007 0.000 1.044 428 S HN 1.170 nan 8.310 nan 0.000 0.485 429 G N 0.841 109.672 108.800 0.053 0.000 2.658 429 G HA2 0.795 4.757 3.960 0.002 0.000 0.292 429 G HA3 0.795 4.757 3.960 0.002 0.000 0.292 429 G C -1.064 173.871 174.900 0.059 0.000 1.320 429 G CA -0.680 44.433 45.100 0.022 0.000 0.933 429 G HN 0.689 nan 8.290 nan 0.000 0.476 430 T N -1.269 113.245 114.554 -0.067 0.000 2.778 430 T HA 0.703 5.054 4.350 0.002 0.000 0.293 430 T C -0.791 173.655 174.700 -0.423 0.000 1.144 430 T CA -0.716 61.338 62.100 -0.077 0.000 1.010 430 T CB 1.594 70.428 68.868 -0.057 0.000 1.325 430 T HN 0.410 nan 8.240 nan 0.000 0.515 431 L N 1.560 122.430 121.223 -0.588 0.000 2.362 431 L HA 0.798 5.139 4.340 0.002 0.000 0.271 431 L C -1.397 175.365 176.870 -0.180 0.000 1.002 431 L CA -1.149 53.347 54.840 -0.573 0.000 0.818 431 L CB 1.641 43.186 42.059 -0.855 0.000 1.298 431 L HN 0.890 nan 8.230 nan 0.000 0.420 432 Y N 0.395 120.629 120.300 -0.110 0.000 2.624 432 Y HA 0.862 5.414 4.550 0.002 0.000 0.334 432 Y C -0.202 175.687 175.900 -0.018 0.000 1.155 432 Y CA -0.995 57.093 58.100 -0.019 0.000 1.046 432 Y CB 1.248 39.730 38.460 0.037 0.000 1.316 432 Y HN 0.832 nan 8.280 nan 0.000 0.457 433 G N 1.333 110.303 108.800 0.283 0.000 2.612 433 G HA2 -0.029 3.933 3.960 0.002 0.000 0.686 433 G HA3 -0.029 3.933 3.960 0.002 0.000 0.686 433 G C -2.338 172.613 174.900 0.085 0.000 1.274 433 G CA -0.555 44.665 45.100 0.200 0.000 0.849 433 G HN 0.710 nan 8.290 nan 0.000 0.595 434 P HA -0.091 nan 4.420 nan 0.000 0.221 434 P C 1.135 178.443 177.300 0.013 0.000 1.145 434 P CA 1.406 64.528 63.100 0.038 0.000 0.795 434 P CB 0.180 31.901 31.700 0.034 0.000 0.775 435 Q N -0.790 119.009 119.800 -0.002 0.000 2.384 435 Q HA 0.181 4.523 4.340 0.002 0.000 0.207 435 Q C 0.913 176.870 176.000 -0.072 0.000 0.904 435 Q CA -0.209 55.574 55.803 -0.032 0.000 0.933 435 Q CB -0.060 28.656 28.738 -0.036 0.000 1.077 435 Q HN 0.284 nan 8.270 nan 0.000 0.522 436 L N 2.277 123.449 121.223 -0.084 0.000 3.826 436 L HA -0.205 4.136 4.340 0.002 0.000 0.566 436 L C -0.273 176.455 176.870 -0.235 0.000 1.217 436 L CA 0.206 54.949 54.840 -0.162 0.000 0.823 436 L CB -2.190 39.785 42.059 -0.142 0.000 1.381 436 L HN 0.029 nan 8.230 nan 0.000 0.825 437 S N -0.428 115.107 115.700 -0.276 0.000 2.601 437 S HA 0.556 5.027 4.470 0.002 0.000 0.271 437 S C 0.035 174.410 174.600 -0.376 0.000 1.305 437 S CA -1.002 57.028 58.200 -0.284 0.000 1.022 437 S CB 1.550 64.606 63.200 -0.241 0.000 0.940 437 S HN 0.426 nan 8.310 nan 0.000 0.525 438 Q N 1.398 121.027 119.800 -0.284 0.000 2.294 438 Q HA 0.371 4.713 4.340 0.002 0.000 0.257 438 Q C -0.556 175.309 176.000 -0.224 0.000 0.955 438 Q CA -0.061 55.576 55.803 -0.277 0.000 0.936 438 Q CB 0.855 29.474 28.738 -0.198 0.000 1.188 438 Q HN 0.499 nan 8.270 nan 0.000 0.420 439 K N 2.989 123.248 120.400 -0.234 0.000 2.397 439 K HA 0.453 4.775 4.320 0.002 0.000 0.253 439 K C -0.863 175.709 176.600 -0.046 0.000 0.932 439 K CA -0.791 55.423 56.287 -0.121 0.000 0.795 439 K CB 1.966 34.385 32.500 -0.135 0.000 1.159 439 K HN 0.444 nan 8.250 nan 0.000 0.424 440 I N 2.486 123.087 120.570 0.051 0.000 2.416 440 I HA -0.030 4.141 4.170 0.002 0.000 0.288 440 I C 1.157 177.351 176.117 0.128 0.000 1.051 440 I CA -0.075 61.290 61.300 0.107 0.000 1.375 440 I CB 1.082 39.205 38.000 0.205 0.000 1.407 440 I HN 0.524 nan 8.210 nan 0.000 0.516 441 V N 2.518 122.399 119.914 -0.055 0.000 3.398 441 V HA 0.359 4.480 4.120 0.002 0.000 0.298 441 V C -0.176 175.647 176.094 -0.452 0.000 1.496 441 V CA -0.010 62.186 62.300 -0.173 0.000 1.044 441 V CB -0.262 31.513 31.823 -0.080 0.000 0.880 441 V HN 0.872 nan 8.190 nan 0.000 0.443 442 Q N 0.281 119.792 119.800 -0.482 0.000 2.403 442 Q HA 0.662 5.004 4.340 0.002 0.000 0.267 442 Q C -2.224 173.604 176.000 -0.288 0.000 0.991 442 Q CA -0.674 54.810 55.803 -0.532 0.000 0.906 442 Q CB 2.415 31.015 28.738 -0.230 0.000 1.422 442 Q HN 0.365 nan 8.270 nan 0.000 0.400 443 I N 3.735 124.180 120.570 -0.209 0.000 2.476 443 I HA 0.374 4.545 4.170 0.002 0.000 0.281 443 I C -0.629 175.466 176.117 -0.038 0.000 1.040 443 I CA -0.751 60.550 61.300 0.002 0.000 1.094 443 I CB 1.722 39.844 38.000 0.204 0.000 1.219 443 I HN 0.840 nan 8.210 nan 0.000 0.450 444 N N 5.370 124.031 118.700 -0.065 0.000 2.681 444 N HA -0.185 4.556 4.740 0.002 0.000 0.259 444 N C 0.903 176.353 175.510 -0.099 0.000 1.066 444 N CA 1.232 54.242 53.050 -0.067 0.000 0.717 444 N CB -0.470 37.989 38.487 -0.046 0.000 0.885 444 N HN 1.191 nan 8.380 nan 0.000 0.547 445 G N -0.662 108.036 108.800 -0.171 0.000 2.304 445 G HA2 -0.386 3.575 3.960 0.002 0.000 0.252 445 G HA3 -0.386 3.575 3.960 0.002 0.000 0.252 445 G C 0.193 174.850 174.900 -0.406 0.000 1.014 445 G CA 0.747 45.705 45.100 -0.236 0.000 0.619 445 G HN 0.548 nan 8.290 nan 0.000 0.525 446 R N 1.123 121.451 120.500 -0.286 0.000 2.216 446 R HA 0.578 4.919 4.340 0.002 0.000 0.332 446 R C -0.132 175.891 176.300 -0.462 0.000 1.056 446 R CA -0.378 55.602 56.100 -0.200 0.000 0.901 446 R CB 0.324 30.708 30.300 0.140 0.000 1.039 446 R HN 0.614 nan 8.270 nan 0.000 0.456 447 H N 3.100 122.090 119.070 -0.134 0.000 2.548 447 H HA 0.460 5.018 4.556 0.002 0.000 0.331 447 H C -0.156 175.058 175.328 -0.191 0.000 1.093 447 H CA -0.032 55.850 56.048 -0.277 0.000 1.367 447 H CB 0.639 30.354 29.762 -0.080 0.000 1.455 447 H HN 0.574 nan 8.280 nan 0.000 0.519 448 F N -1.536 118.538 119.950 0.207 0.000 3.732 448 F HA 0.349 4.877 4.527 0.002 0.000 0.330 448 F C -1.505 174.390 175.800 0.159 0.000 1.111 448 F CA -1.157 56.936 58.000 0.155 0.000 0.854 448 F CB 1.343 40.405 39.000 0.103 0.000 1.653 448 F HN 0.317 nan 8.300 nan 0.000 0.508 449 D N 1.650 122.376 120.400 0.544 0.000 2.328 449 D HA 0.381 5.022 4.640 0.002 0.000 0.243 449 D C -1.886 174.580 176.300 0.277 0.000 1.324 449 D CA 0.097 54.314 54.000 0.362 0.000 0.966 449 D CB 1.360 42.337 40.800 0.295 0.000 1.324 449 D HN 0.527 nan 8.370 nan 0.000 0.549 450 L N 2.891 124.275 121.223 0.268 0.000 2.333 450 L HA 0.469 4.810 4.340 0.002 0.000 0.280 450 L C 0.811 177.717 176.870 0.059 0.000 1.004 450 L CA -0.837 54.073 54.840 0.116 0.000 0.820 450 L CB 2.185 44.274 42.059 0.049 0.000 1.247 450 L HN 0.147 nan 8.230 nan 0.000 0.416 451 R N 2.007 122.515 120.500 0.013 0.000 2.481 451 R HA -0.006 4.336 4.340 0.002 0.000 0.291 451 R C 0.256 176.545 176.300 -0.019 0.000 0.934 451 R CA 0.016 56.100 56.100 -0.027 0.000 1.116 451 R CB 0.450 30.732 30.300 -0.030 0.000 0.895 451 R HN 0.712 nan 8.270 nan 0.000 0.410 452 A N 5.551 128.349 122.820 -0.037 0.000 3.015 452 A HA 0.143 4.465 4.320 0.002 0.000 0.293 452 A C -0.057 177.508 177.584 -0.031 0.000 1.572 452 A CA -0.216 51.807 52.037 -0.024 0.000 1.274 452 A CB -0.082 18.898 19.000 -0.034 0.000 1.156 452 A HN 0.799 nan 8.150 nan 0.000 0.562 453 Q N 0.671 120.458 119.800 -0.023 0.000 2.648 453 Q HA 0.662 5.003 4.340 0.002 0.000 0.300 453 Q C 0.222 176.213 176.000 -0.015 0.000 0.954 453 Q CA -0.461 55.328 55.803 -0.023 0.000 0.757 453 Q CB 0.660 29.380 28.738 -0.030 0.000 1.482 453 Q HN 1.796 nan 8.270 nan 0.000 0.437 454 G N 0.306 109.098 108.800 -0.013 0.000 2.692 454 G HA2 -0.222 3.739 3.960 0.002 0.000 0.248 454 G HA3 -0.222 3.739 3.960 0.002 0.000 0.248 454 G C -0.729 174.167 174.900 -0.007 0.000 1.340 454 G CA -0.147 44.947 45.100 -0.010 0.000 0.896 454 G HN 0.665 nan 8.290 nan 0.000 0.570 455 I N 2.050 122.616 120.570 -0.007 0.000 2.308 455 I HA 0.232 4.403 4.170 0.002 0.000 0.293 455 I C 0.487 176.599 176.117 -0.007 0.000 1.078 455 I CA -0.119 61.178 61.300 -0.005 0.000 1.292 455 I CB 0.788 38.785 38.000 -0.005 0.000 1.423 455 I HN 0.356 nan 8.210 nan 0.000 0.493 456 N N 6.382 125.080 118.700 -0.005 0.000 2.424 456 N HA 0.344 5.085 4.740 0.002 0.000 0.271 456 N C -0.909 174.598 175.510 -0.004 0.000 0.985 456 N CA -0.688 52.358 53.050 -0.008 0.000 0.921 456 N CB 2.274 40.759 38.487 -0.005 0.000 1.149 456 N HN 0.354 nan 8.380 nan 0.000 0.492 457 L N 4.234 125.451 121.223 -0.009 0.000 2.292 457 L HA 0.562 4.903 4.340 0.002 0.000 0.284 457 L C -0.827 176.045 176.870 0.002 0.000 1.065 457 L CA -0.082 54.756 54.840 -0.004 0.000 0.806 457 L CB 0.505 42.556 42.059 -0.012 0.000 1.175 457 L HN 0.396 nan 8.230 nan 0.000 0.431 458 I N 6.478 127.061 120.570 0.022 0.000 2.436 458 I HA 0.434 4.605 4.170 0.002 0.000 0.289 458 I C -0.660 175.505 176.117 0.080 0.000 1.010 458 I CA -0.429 60.897 61.300 0.044 0.000 1.098 458 I CB 1.611 39.640 38.000 0.049 0.000 1.266 458 I HN 0.548 nan 8.210 nan 0.000 0.434 459 I N 5.031 125.674 120.570 0.121 0.000 2.509 459 I HA 0.308 4.479 4.170 0.002 0.000 0.293 459 I C -0.310 176.014 176.117 0.346 0.000 1.020 459 I CA -0.612 60.803 61.300 0.192 0.000 1.088 459 I CB 1.993 40.068 38.000 0.125 0.000 1.267 459 I HN 0.602 nan 8.210 nan 0.000 0.430 460 H N 7.271 126.467 119.070 0.210 0.000 2.697 460 H HA 0.325 4.882 4.556 0.002 0.000 0.270 460 H C -1.551 173.888 175.328 0.184 0.000 1.188 460 H CA -0.483 55.677 56.048 0.187 0.000 1.322 460 H CB 0.580 30.436 29.762 0.157 0.000 1.405 460 H HN 0.624 nan 8.280 nan 0.000 0.502 461 Y N 1.921 122.080 120.300 -0.234 0.000 2.732 461 Y HA 0.535 5.087 4.550 0.002 0.000 0.327 461 Y C -0.590 175.044 175.900 -0.443 0.000 1.162 461 Y CA -1.454 56.410 58.100 -0.393 0.000 1.238 461 Y CB -0.250 38.074 38.460 -0.225 0.000 1.443 461 Y HN 0.005 nan 8.280 nan 0.000 0.584 462 V N 0.779 120.479 119.914 -0.358 0.000 2.408 462 V HA 0.157 4.278 4.120 0.002 0.000 0.267 462 V C -0.335 175.698 176.094 -0.101 0.000 1.047 462 V CA -0.687 61.462 62.300 -0.252 0.000 0.937 462 V CB 0.468 32.182 31.823 -0.181 0.000 0.999 462 V HN 0.747 nan 8.190 nan 0.000 0.472 463 D N 5.181 125.478 120.400 -0.171 0.000 2.429 463 D HA 0.132 4.774 4.640 0.002 0.000 0.253 463 D C 0.240 176.547 176.300 0.012 0.000 1.294 463 D CA 0.343 54.300 54.000 -0.072 0.000 1.063 463 D CB -0.067 40.670 40.800 -0.105 0.000 1.096 463 D HN 0.615 nan 8.370 nan 0.000 0.516 464 R N 3.174 123.711 120.500 0.062 0.000 2.803 464 R HA 0.481 4.823 4.340 0.002 0.000 0.276 464 R C -2.223 174.110 176.300 0.053 0.000 0.978 464 R CA -1.953 54.172 56.100 0.042 0.000 0.939 464 R CB 1.289 31.606 30.300 0.029 0.000 1.179 464 R HN 0.232 nan 8.270 nan 0.000 0.472 465 P HA -0.094 nan 4.420 nan 0.000 0.266 465 P C 0.396 177.707 177.300 0.019 0.000 1.180 465 P CA 1.028 64.143 63.100 0.026 0.000 0.765 465 P CB 0.361 32.070 31.700 0.015 0.000 0.806 466 G N 1.662 110.469 108.800 0.012 0.000 2.258 466 G HA2 -0.269 3.693 3.960 0.002 0.000 0.274 466 G HA3 -0.269 3.693 3.960 0.002 0.000 0.274 466 G C 1.053 175.939 174.900 -0.022 0.000 1.021 466 G CA 0.541 45.638 45.100 -0.006 0.000 0.798 466 G HN 0.742 nan 8.290 nan 0.000 0.507 467 A N -0.920 121.895 122.820 -0.010 0.000 1.935 467 A HA 0.379 4.700 4.320 0.002 0.000 0.214 467 A C 2.317 179.799 177.584 -0.171 0.000 1.178 467 A CA 1.872 53.865 52.037 -0.073 0.000 0.640 467 A CB -0.200 18.827 19.000 0.045 0.000 0.825 467 A HN 1.212 nan 8.150 nan 0.000 0.447 468 L N 0.586 121.751 121.223 -0.097 0.000 2.012 468 L HA -0.071 4.270 4.340 0.002 0.000 0.210 468 L C 2.364 179.183 176.870 -0.084 0.000 1.073 468 L CA 2.468 57.251 54.840 -0.095 0.000 0.748 468 L CB -1.261 40.782 42.059 -0.026 0.000 0.891 468 L HN 0.310 nan 8.230 nan 0.000 0.431 469 G N -0.645 108.121 108.800 -0.056 0.000 2.529 469 G HA2 -0.360 3.602 3.960 0.002 0.000 0.219 469 G HA3 -0.360 3.602 3.960 0.002 0.000 0.219 469 G C 1.729 176.589 174.900 -0.067 0.000 1.177 469 G CA 1.207 46.277 45.100 -0.050 0.000 0.773 469 G HN 0.456 nan 8.290 nan 0.000 0.573 470 K N -0.260 120.090 120.400 -0.084 0.000 2.057 470 K HA 0.089 4.411 4.320 0.002 0.000 0.206 470 K C 2.483 179.020 176.600 -0.104 0.000 1.050 470 K CA 0.860 57.095 56.287 -0.087 0.000 0.935 470 K CB -0.193 32.250 32.500 -0.096 0.000 0.715 470 K HN 0.356 nan 8.250 nan 0.000 0.439 471 I N 0.225 120.708 120.570 -0.145 0.000 2.202 471 I HA -0.179 3.992 4.170 0.002 0.000 0.242 471 I C 2.448 178.504 176.117 -0.102 0.000 1.091 471 I CA 1.383 62.592 61.300 -0.152 0.000 1.368 471 I CB -0.491 37.375 38.000 -0.223 0.000 1.058 471 I HN 0.275 nan 8.210 nan 0.000 0.410 472 G N -0.035 108.712 108.800 -0.087 0.000 2.404 472 G HA2 -0.198 3.763 3.960 0.002 0.000 0.215 472 G HA3 -0.198 3.763 3.960 0.002 0.000 0.215 472 G C 1.664 176.533 174.900 -0.050 0.000 1.174 472 G CA 1.284 46.346 45.100 -0.062 0.000 0.780 472 G HN 0.268 nan 8.290 nan 0.000 0.537 473 T N 1.196 115.720 114.554 -0.049 0.000 2.833 473 T HA 0.004 4.356 4.350 0.002 0.000 0.269 473 T C 2.382 177.058 174.700 -0.040 0.000 1.054 473 T CA 0.685 62.761 62.100 -0.040 0.000 1.135 473 T CB -0.114 68.731 68.868 -0.038 0.000 0.869 473 T HN 0.114 nan 8.240 nan 0.000 0.466 474 L N 0.140 121.334 121.223 -0.049 0.000 2.005 474 L HA -0.046 4.295 4.340 0.002 0.000 0.207 474 L C 2.327 179.173 176.870 -0.039 0.000 1.072 474 L CA 0.696 55.509 54.840 -0.045 0.000 0.744 474 L CB -0.483 41.543 42.059 -0.054 0.000 0.895 474 L HN 0.183 nan 8.230 nan 0.000 0.433 475 L N 0.184 121.380 121.223 -0.044 0.000 2.064 475 L HA -0.227 4.115 4.340 0.002 0.000 0.216 475 L C 2.508 179.360 176.870 -0.030 0.000 1.077 475 L CA 2.208 57.026 54.840 -0.037 0.000 0.766 475 L CB -1.766 40.268 42.059 -0.041 0.000 0.890 475 L HN 0.304 nan 8.230 nan 0.000 0.435 476 G N -2.540 106.242 108.800 -0.030 0.000 2.408 476 G HA2 -0.216 3.746 3.960 0.002 0.000 0.217 476 G HA3 -0.216 3.746 3.960 0.002 0.000 0.217 476 G C 1.530 176.417 174.900 -0.021 0.000 1.150 476 G CA 1.116 46.201 45.100 -0.024 0.000 0.776 476 G HN 0.404 nan 8.290 nan 0.000 0.542 477 T N 1.697 116.237 114.554 -0.023 0.000 2.821 477 T HA 0.053 4.405 4.350 0.002 0.000 0.267 477 T C 2.630 177.319 174.700 -0.019 0.000 1.046 477 T CA 1.183 63.271 62.100 -0.020 0.000 1.139 477 T CB -0.253 68.602 68.868 -0.022 0.000 0.871 477 T HN 0.343 nan 8.240 nan 0.000 0.454 478 A N 0.694 123.501 122.820 -0.021 0.000 2.248 478 A HA 0.417 4.739 4.320 0.002 0.000 0.210 478 A C 1.874 179.448 177.584 -0.016 0.000 1.174 478 A CA 0.848 52.874 52.037 -0.018 0.000 0.750 478 A CB -1.144 17.844 19.000 -0.020 0.000 0.780 478 A HN 0.769 nan 8.150 nan 0.000 0.478 479 G N -1.315 107.475 108.800 -0.016 0.000 2.273 479 G HA2 -0.160 3.801 3.960 0.002 0.000 0.280 479 G HA3 -0.160 3.801 3.960 0.002 0.000 0.280 479 G C -0.048 174.844 174.900 -0.014 0.000 1.047 479 G CA 0.327 45.418 45.100 -0.014 0.000 0.869 479 G HN 0.893 nan 8.290 nan 0.000 0.502 480 V N 0.914 120.818 119.914 -0.017 0.000 2.384 480 V HA 0.370 4.492 4.120 0.002 0.000 0.287 480 V C 0.648 176.731 176.094 -0.018 0.000 1.020 480 V CA -1.199 61.091 62.300 -0.016 0.000 0.850 480 V CB 1.689 33.502 31.823 -0.018 0.000 0.987 480 V HN 0.476 nan 8.190 nan 0.000 0.436 481 N N 3.872 122.563 118.700 -0.015 0.000 2.530 481 N HA 0.416 5.157 4.740 0.002 0.000 0.277 481 N C -0.996 174.503 175.510 -0.018 0.000 1.168 481 N CA -0.371 52.670 53.050 -0.016 0.000 0.979 481 N CB 1.130 39.609 38.487 -0.013 0.000 1.141 481 N HN 0.555 nan 8.380 nan 0.000 0.459 482 I N 2.698 123.257 120.570 -0.019 0.000 2.354 482 I HA 0.107 4.278 4.170 0.002 0.000 0.292 482 I C 1.237 177.343 176.117 -0.018 0.000 0.989 482 I CA -0.254 61.033 61.300 -0.022 0.000 1.188 482 I CB 1.864 39.849 38.000 -0.026 0.000 1.342 482 I HN 0.539 nan 8.210 nan 0.000 0.457 483 Q N 4.499 124.288 119.800 -0.018 0.000 2.339 483 Q HA 0.388 4.730 4.340 0.002 0.000 0.205 483 Q C 0.128 176.120 176.000 -0.014 0.000 0.925 483 Q CA 0.219 56.013 55.803 -0.014 0.000 0.898 483 Q CB 0.744 29.475 28.738 -0.013 0.000 1.013 483 Q HN 0.780 nan 8.270 nan 0.000 0.504 484 A N -0.190 122.618 122.820 -0.021 0.000 2.594 484 A HA 0.797 5.118 4.320 0.002 0.000 0.296 484 A C -1.804 175.755 177.584 -0.041 0.000 1.061 484 A CA -0.248 51.775 52.037 -0.024 0.000 0.689 484 A CB 1.368 20.356 19.000 -0.019 0.000 1.280 484 A HN 0.094 nan 8.150 nan 0.000 0.406 485 A N 0.732 123.523 122.820 -0.049 0.000 2.587 485 A HA 0.920 5.242 4.320 0.002 0.000 0.293 485 A C -1.230 176.294 177.584 -0.100 0.000 1.087 485 A CA -0.503 51.492 52.037 -0.070 0.000 0.692 485 A CB 2.036 21.007 19.000 -0.049 0.000 1.291 485 A HN 1.202 nan 8.150 nan 0.000 0.407 486 Q N 0.440 120.152 119.800 -0.146 0.000 2.327 486 Q HA 0.555 4.897 4.340 0.002 0.000 0.265 486 Q C -2.417 173.501 176.000 -0.136 0.000 0.993 486 Q CA -0.495 55.193 55.803 -0.191 0.000 0.885 486 Q CB 1.862 30.321 28.738 -0.465 0.000 1.379 486 Q HN 1.372 nan 8.270 nan 0.000 0.408 487 L N 0.604 121.804 121.223 -0.039 0.000 2.415 487 L HA 0.958 5.300 4.340 0.002 0.000 0.256 487 L C -0.863 176.047 176.870 0.066 0.000 1.010 487 L CA -0.318 54.540 54.840 0.031 0.000 0.826 487 L CB 2.024 44.136 42.059 0.089 0.000 1.405 487 L HN 0.713 nan 8.230 nan 0.000 0.410 488 S N -1.406 114.344 115.700 0.083 0.000 2.873 488 S HA 0.460 4.931 4.470 0.002 0.000 0.303 488 S C -0.789 173.844 174.600 0.054 0.000 1.222 488 S CA -0.436 57.811 58.200 0.079 0.000 0.923 488 S CB 0.376 63.640 63.200 0.107 0.000 1.286 488 S HN 1.174 nan 8.310 nan 0.000 0.571 489 E N 1.122 121.351 120.200 0.048 0.000 2.680 489 E HA -0.145 4.207 4.350 0.002 0.000 0.278 489 E C -1.229 175.392 176.600 0.036 0.000 1.018 489 E CA 0.705 57.125 56.400 0.033 0.000 0.991 489 E CB -0.103 29.619 29.700 0.037 0.000 1.006 489 E HN 0.514 nan 8.360 nan 0.000 0.464 490 D N 0.960 121.376 120.400 0.027 0.000 2.163 490 D HA 0.399 5.041 4.640 0.002 0.000 0.248 490 D C 0.899 177.218 176.300 0.031 0.000 1.035 490 D CA 0.557 54.589 54.000 0.053 0.000 0.872 490 D CB 1.576 42.427 40.800 0.084 0.000 1.183 490 D HN 0.585 nan 8.370 nan 0.000 0.445 491 A N 2.753 125.587 122.820 0.023 0.000 1.855 491 A HA -0.280 4.042 4.320 0.002 0.000 0.290 491 A C 0.917 178.508 177.584 0.011 0.000 3.052 491 A CA 2.215 54.258 52.037 0.009 0.000 0.951 491 A CB -0.607 18.392 19.000 -0.001 0.000 0.770 491 A HN 0.601 nan 8.150 nan 0.000 0.505 492 E N -4.557 115.649 120.200 0.009 0.000 2.454 492 E HA 0.519 4.871 4.350 0.002 0.000 0.279 492 E C -0.028 176.576 176.600 0.006 0.000 1.029 492 E CA 0.765 57.170 56.400 0.007 0.000 0.831 492 E CB 1.169 30.871 29.700 0.004 0.000 1.405 492 E HN 1.889 nan 8.360 nan 0.000 0.463 493 G N 0.888 109.691 108.800 0.004 0.000 2.512 493 G HA2 -0.042 3.919 3.960 0.002 0.000 0.210 493 G HA3 -0.042 3.919 3.960 0.002 0.000 0.210 493 G C -2.263 172.641 174.900 0.006 0.000 1.295 493 G CA -0.355 44.747 45.100 0.003 0.000 0.934 493 G HN 0.658 nan 8.290 nan 0.000 0.554 494 P HA 0.652 nan 4.420 nan 0.000 0.281 494 P C 0.276 177.598 177.300 0.037 0.000 1.264 494 P CA 1.002 64.119 63.100 0.028 0.000 0.824 494 P CB 1.185 32.927 31.700 0.070 0.000 1.092 495 G N -0.824 107.963 108.800 -0.023 0.000 2.784 495 G HA2 0.502 4.463 3.960 0.002 0.000 0.686 495 G HA3 0.502 4.463 3.960 0.002 0.000 0.686 495 G C -1.124 173.621 174.900 -0.258 0.000 1.156 495 G CA -0.268 44.744 45.100 -0.145 0.000 0.757 495 G HN 0.717 nan 8.290 nan 0.000 0.642 496 A N 0.520 123.009 122.820 -0.552 0.000 2.583 496 A HA 1.127 5.449 4.320 0.002 0.000 0.289 496 A C 0.007 177.379 177.584 -0.354 0.000 1.151 496 A CA 0.314 52.109 52.037 -0.403 0.000 0.695 496 A CB 1.829 20.589 19.000 -0.400 0.000 1.290 496 A HN 2.420 nan 8.150 nan 0.000 0.419 497 T N -0.812 113.731 114.554 -0.018 0.000 2.991 497 T HA 0.608 4.960 4.350 0.002 0.000 0.303 497 T C -0.882 173.925 174.700 0.179 0.000 1.015 497 T CA -0.184 62.013 62.100 0.163 0.000 1.007 497 T CB 1.023 69.998 68.868 0.179 0.000 1.034 497 T HN 1.245 nan 8.240 nan 0.000 0.446 498 I N 2.197 122.899 120.570 0.220 0.000 2.785 498 I HA 0.867 5.038 4.170 0.002 0.000 0.302 498 I C -1.892 174.239 176.117 0.023 0.000 1.069 498 I CA -1.619 59.751 61.300 0.117 0.000 1.045 498 I CB 2.106 40.188 38.000 0.138 0.000 1.236 498 I HN 0.861 nan 8.210 nan 0.000 0.429 499 L N 6.813 127.998 121.223 -0.064 0.000 2.505 499 L HA 0.639 4.980 4.340 0.002 0.000 0.266 499 L C -2.000 174.815 176.870 -0.092 0.000 0.954 499 L CA -0.305 54.481 54.840 -0.090 0.000 0.852 499 L CB 1.619 43.567 42.059 -0.185 0.000 1.282 499 L HN 0.518 nan 8.230 nan 0.000 0.403 500 L N 4.152 125.340 121.223 -0.058 0.000 2.410 500 L HA 0.589 4.930 4.340 0.002 0.000 0.270 500 L C -0.260 176.586 176.870 -0.039 0.000 0.983 500 L CA -0.456 54.352 54.840 -0.052 0.000 0.822 500 L CB 1.844 43.876 42.059 -0.045 0.000 1.285 500 L HN 0.457 nan 8.230 nan 0.000 0.409 501 R N 2.863 123.341 120.500 -0.037 0.000 2.267 501 R HA 0.708 5.049 4.340 0.002 0.000 0.319 501 R C -1.132 175.155 176.300 -0.022 0.000 1.067 501 R CA -0.224 55.860 56.100 -0.026 0.000 0.936 501 R CB 0.424 30.711 30.300 -0.022 0.000 1.006 501 R HN 0.634 nan 8.270 nan 0.000 0.452 502 L N 2.604 123.816 121.223 -0.019 0.000 2.286 502 L HA 0.389 4.730 4.340 0.002 0.000 0.265 502 L C 0.626 177.488 176.870 -0.014 0.000 1.012 502 L CA -0.961 53.869 54.840 -0.017 0.000 0.818 502 L CB 1.660 43.708 42.059 -0.018 0.000 1.337 502 L HN 0.664 nan 8.230 nan 0.000 0.438 503 D N -0.964 119.428 120.400 -0.013 0.000 2.339 503 D HA 0.006 4.648 4.640 0.002 0.000 0.217 503 D C 0.149 176.444 176.300 -0.009 0.000 1.050 503 D CA 0.178 54.172 54.000 -0.010 0.000 0.856 503 D CB 0.462 41.256 40.800 -0.010 0.000 0.922 503 D HN 0.664 nan 8.370 nan 0.000 0.518 504 Q N -1.236 118.559 119.800 -0.009 0.000 2.804 504 Q HA 0.213 4.554 4.340 0.002 0.000 0.302 504 Q C -1.720 174.275 176.000 -0.007 0.000 0.885 504 Q CA -0.883 54.915 55.803 -0.007 0.000 0.759 504 Q CB 0.399 29.132 28.738 -0.007 0.000 1.465 504 Q HN -0.189 nan 8.270 nan 0.000 0.432 505 D N 0.269 120.666 120.400 -0.005 0.000 2.400 505 D HA 0.246 4.887 4.640 0.002 0.000 0.238 505 D C -0.688 175.607 176.300 -0.007 0.000 1.157 505 D CA 0.022 54.020 54.000 -0.004 0.000 0.889 505 D CB 1.279 42.078 40.800 -0.001 0.000 1.199 505 D HN 0.349 nan 8.370 nan 0.000 0.436 506 V N 5.679 125.589 119.914 -0.007 0.000 2.385 506 V HA 0.255 4.377 4.120 0.002 0.000 0.269 506 V C -1.718 174.372 176.094 -0.007 0.000 1.043 506 V CA -1.288 61.006 62.300 -0.010 0.000 0.906 506 V CB 0.969 32.784 31.823 -0.012 0.000 0.995 506 V HN 0.555 nan 8.190 nan 0.000 0.467 507 P HA 0.131 nan 4.420 nan 0.000 0.272 507 P C 0.495 177.791 177.300 -0.007 0.000 1.230 507 P CA -0.194 62.902 63.100 -0.007 0.000 0.788 507 P CB 1.159 32.854 31.700 -0.008 0.000 0.949 508 D N 0.560 120.957 120.400 -0.005 0.000 2.087 508 D HA -0.191 4.450 4.640 0.002 0.000 0.192 508 D C 1.468 177.764 176.300 -0.007 0.000 0.993 508 D CA 1.614 55.612 54.000 -0.004 0.000 0.828 508 D CB -0.456 40.342 40.800 -0.002 0.000 0.968 508 D HN 0.516 nan 8.370 nan 0.000 0.448 509 D N 0.273 120.668 120.400 -0.009 0.000 2.158 509 D HA -0.150 4.492 4.640 0.002 0.000 0.197 509 D C 2.214 178.505 176.300 -0.015 0.000 0.995 509 D CA 0.906 54.900 54.000 -0.011 0.000 0.846 509 D CB -0.552 40.240 40.800 -0.012 0.000 0.941 509 D HN 0.194 nan 8.370 nan 0.000 0.456 510 V N 0.955 120.860 119.914 -0.015 0.000 2.283 510 V HA -0.180 3.942 4.120 0.002 0.000 0.243 510 V C 2.870 178.951 176.094 -0.022 0.000 1.039 510 V CA 1.444 63.732 62.300 -0.020 0.000 1.016 510 V CB -0.724 31.087 31.823 -0.020 0.000 0.650 510 V HN 0.111 nan 8.190 nan 0.000 0.449 511 R N -0.041 120.449 120.500 -0.017 0.000 2.113 511 R HA -0.230 4.112 4.340 0.002 0.000 0.244 511 R C 2.367 178.657 176.300 -0.016 0.000 1.142 511 R CA 2.444 58.535 56.100 -0.015 0.000 0.953 511 R CB -0.566 29.730 30.300 -0.006 0.000 0.860 511 R HN 0.610 nan 8.270 nan 0.000 0.438 512 T N 0.326 114.873 114.554 -0.013 0.000 2.674 512 T HA -0.131 4.221 4.350 0.002 0.000 0.265 512 T C 1.870 176.558 174.700 -0.021 0.000 1.039 512 T CA 1.321 63.413 62.100 -0.013 0.000 1.150 512 T CB -0.460 68.401 68.868 -0.010 0.000 0.864 512 T HN 0.454 nan 8.240 nan 0.000 0.427 513 A N 1.841 124.647 122.820 -0.024 0.000 1.927 513 A HA -0.148 4.173 4.320 0.002 0.000 0.220 513 A C 2.309 179.868 177.584 -0.042 0.000 1.185 513 A CA 1.556 53.574 52.037 -0.031 0.000 0.639 513 A CB -0.942 18.041 19.000 -0.030 0.000 0.820 513 A HN 0.503 nan 8.150 nan 0.000 0.451 514 I N -0.552 119.990 120.570 -0.047 0.000 2.286 514 I HA -0.272 3.899 4.170 0.002 0.000 0.248 514 I C 2.946 179.021 176.117 -0.070 0.000 1.115 514 I CA 1.400 62.659 61.300 -0.068 0.000 1.392 514 I CB -1.228 36.729 38.000 -0.072 0.000 1.065 514 I HN 0.411 nan 8.210 nan 0.000 0.418 515 A N 1.179 123.971 122.820 -0.046 0.000 1.873 515 A HA -0.106 4.215 4.320 0.002 0.000 0.215 515 A C 2.631 180.185 177.584 -0.050 0.000 1.186 515 A CA 1.874 53.888 52.037 -0.039 0.000 0.616 515 A CB -0.793 18.198 19.000 -0.015 0.000 0.823 515 A HN 0.411 nan 8.150 nan 0.000 0.442 516 A N -0.179 122.616 122.820 -0.041 0.000 1.908 516 A HA 0.089 4.410 4.320 0.002 0.000 0.218 516 A C 2.469 180.022 177.584 -0.050 0.000 1.181 516 A CA 2.337 54.349 52.037 -0.041 0.000 0.627 516 A CB -0.942 18.039 19.000 -0.031 0.000 0.818 516 A HN 1.087 nan 8.150 nan 0.000 0.445 517 A N -0.508 122.277 122.820 -0.059 0.000 1.929 517 A HA 0.124 4.446 4.320 0.002 0.000 0.216 517 A C 1.961 179.498 177.584 -0.077 0.000 1.176 517 A CA 1.724 53.722 52.037 -0.065 0.000 0.628 517 A CB -0.677 18.280 19.000 -0.071 0.000 0.816 517 A HN 1.082 nan 8.150 nan 0.000 0.444 518 V N -4.249 115.605 119.914 -0.100 0.000 3.621 518 V HA 0.214 4.336 4.120 0.002 0.000 0.285 518 V C 0.000 176.057 176.094 -0.062 0.000 1.346 518 V CA 0.296 62.544 62.300 -0.087 0.000 1.104 518 V CB -0.520 31.174 31.823 -0.216 0.000 0.913 518 V HN 0.373 nan 8.190 nan 0.000 0.432 519 D N 1.473 121.820 120.400 -0.089 0.000 2.737 519 D HA -0.156 4.485 4.640 0.002 0.000 0.238 519 D C 0.633 176.793 176.300 -0.233 0.000 1.157 519 D CA 1.093 55.013 54.000 -0.132 0.000 0.694 519 D CB -0.961 39.756 40.800 -0.138 0.000 1.021 519 D HN 1.036 nan 8.370 nan 0.000 0.420 520 A N -0.043 122.693 122.820 -0.139 0.000 2.561 520 A HA 0.159 4.480 4.320 0.002 0.000 0.234 520 A C 1.090 178.584 177.584 -0.150 0.000 1.055 520 A CA 0.424 52.386 52.037 -0.124 0.000 0.756 520 A CB 0.270 19.269 19.000 -0.003 0.000 0.986 520 A HN 0.453 nan 8.150 nan 0.000 0.505 521 Y N 1.128 121.455 120.300 0.045 0.000 2.262 521 Y HA 0.144 4.696 4.550 0.002 0.000 0.295 521 Y C 1.328 177.287 175.900 0.100 0.000 1.121 521 Y CA 1.224 59.366 58.100 0.070 0.000 1.144 521 Y CB 0.284 38.809 38.460 0.108 0.000 1.043 521 Y HN 0.595 nan 8.280 nan 0.000 0.528 522 K N 0.474 121.050 120.400 0.294 0.000 2.508 522 K HA 0.439 4.761 4.320 0.002 0.000 0.260 522 K C -2.227 174.465 176.600 0.154 0.000 0.949 522 K CA -0.854 55.550 56.287 0.194 0.000 0.834 522 K CB 2.286 34.902 32.500 0.193 0.000 1.365 522 K HN -0.126 nan 8.250 nan 0.000 0.437 523 L N 2.908 124.191 121.223 0.099 0.000 2.596 523 L HA 0.514 4.855 4.340 0.002 0.000 0.265 523 L C -1.647 175.255 176.870 0.053 0.000 0.962 523 L CA -0.131 54.753 54.840 0.073 0.000 0.891 523 L CB 1.414 43.500 42.059 0.046 0.000 1.248 523 L HN 0.781 nan 8.230 nan 0.000 0.410 524 E N 2.352 122.581 120.200 0.049 0.000 2.359 524 E HA 0.840 5.191 4.350 0.002 0.000 0.266 524 E C -1.459 175.158 176.600 0.027 0.000 0.920 524 E CA -0.578 55.844 56.400 0.036 0.000 0.788 524 E CB 2.826 32.548 29.700 0.036 0.000 1.279 524 E HN 0.383 nan 8.360 nan 0.000 0.438 525 V N 1.785 121.713 119.914 0.023 0.000 2.577 525 V HA 0.558 4.679 4.120 0.002 0.000 0.303 525 V C -1.209 174.896 176.094 0.018 0.000 1.042 525 V CA -0.799 61.510 62.300 0.016 0.000 0.872 525 V CB 1.784 33.614 31.823 0.012 0.000 0.998 525 V HN 0.419 nan 8.190 nan 0.000 0.423 526 V N 3.579 123.501 119.914 0.015 0.000 2.638 526 V HA 0.587 4.708 4.120 0.002 0.000 0.306 526 V C -1.126 174.974 176.094 0.010 0.000 1.052 526 V CA -0.432 61.877 62.300 0.016 0.000 0.885 526 V CB 2.164 33.998 31.823 0.019 0.000 0.999 526 V HN 0.958 nan 8.190 nan 0.000 0.424 527 D N 5.267 125.673 120.400 0.010 0.000 2.325 527 D HA 0.243 4.885 4.640 0.002 0.000 0.251 527 D C 0.410 176.713 176.300 0.005 0.000 1.196 527 D CA 0.115 54.119 54.000 0.006 0.000 0.866 527 D CB 1.014 41.818 40.800 0.006 0.000 1.101 527 D HN 0.592 nan 8.370 nan 0.000 0.476 528 L N 2.956 124.179 121.223 0.001 0.000 2.928 528 L HA 0.218 4.559 4.340 0.002 0.000 0.236 528 L C -0.024 176.843 176.870 -0.005 0.000 1.290 528 L CA -0.138 54.702 54.840 -0.000 0.000 1.099 528 L CB -0.540 41.518 42.059 -0.001 0.000 1.437 528 L HN 0.226 nan 8.230 nan 0.000 0.493 529 S N 0.000 115.698 115.700 -0.003 0.000 2.498 529 S HA 0.000 4.471 4.470 0.002 0.000 0.327 529 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 529 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 529 S HN 0.000 nan 8.310 nan 0.000 0.517