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 2qt8_1_A DATA FIRST_RESID 0 DATA SEQUENCE HXSLAVEAVK DFLLKLQDDI CEALEAEDGQ ATFVEDKWTR EGGGGGRTRV DATA SEQUENCE XVDGAVIEKG GVNFSHVYGK GLPXSSTERH PDIAGCNFEA XGVSLVIHPK DATA SEQUENCE NPHVPTSHAN VRLFVAEREG KEPVWWFGGG FDLTPYYAVE EDCRDFHQVA DATA SEQUENCE QDLCKPFGAD VYARFKGWCD EYFFIPYRNE ARGIGGLFFD DLNEWPFEKC DATA SEQUENCE FEFVQAVGKG YXDAYIPIVN RRKNTPYTEQ QVEFQEFRRG RYAEFNLVID DATA SEQUENCE RGTKFGLQSG GRTESILISL PPRARWGYNW QPEPGTPEAR LTEYFLTKRQ DATA SEQUENCE WV 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.266 175.328 -0.104 0.000 0.993 0 H CA 0.000 56.012 56.048 -0.059 0.000 1.023 0 H CB 0.000 nan 29.762 nan 0.000 1.292 3 L N 2.175 123.330 121.223 -0.114 0.000 2.131 3 L HA 0.153 4.494 4.340 0.001 0.000 0.206 3 L C 2.751 179.549 176.870 -0.119 0.000 1.087 3 L CA 1.427 56.213 54.840 -0.089 0.000 0.767 3 L CB -0.576 41.442 42.059 -0.067 0.000 0.917 3 L HN 0.444 nan 8.230 nan 0.000 0.441 4 A N -0.037 122.649 122.820 -0.223 0.000 1.902 4 A HA -0.150 4.171 4.320 0.001 0.000 0.217 4 A C 2.335 179.773 177.584 -0.244 0.000 1.181 4 A CA 1.775 53.628 52.037 -0.307 0.000 0.623 4 A CB -0.809 17.715 19.000 -0.793 0.000 0.818 4 A HN 0.188 nan 8.150 nan 0.000 0.443 5 V N 0.188 119.952 119.914 -0.250 0.000 2.427 5 V HA -0.189 3.932 4.120 0.001 0.000 0.248 5 V C 2.544 178.565 176.094 -0.122 0.000 1.051 5 V CA 2.020 64.207 62.300 -0.187 0.000 1.048 5 V CB -0.680 31.028 31.823 -0.193 0.000 0.666 5 V HN 0.490 nan 8.190 nan 0.000 0.456 6 E N 0.443 120.594 120.200 -0.081 0.000 2.110 6 E HA -0.168 4.183 4.350 0.001 0.000 0.193 6 E C 2.374 178.976 176.600 0.003 0.000 0.988 6 E CA 1.501 57.883 56.400 -0.029 0.000 0.804 6 E CB -0.549 29.144 29.700 -0.011 0.000 0.745 6 E HN 0.571 nan 8.360 nan 0.000 0.458 7 A N 0.881 123.705 122.820 0.006 0.000 1.902 7 A HA -0.143 4.178 4.320 0.001 0.000 0.217 7 A C 2.618 180.286 177.584 0.140 0.000 1.181 7 A CA 1.532 53.631 52.037 0.103 0.000 0.623 7 A CB -0.660 18.433 19.000 0.154 0.000 0.818 7 A HN 0.144 nan 8.150 nan 0.000 0.443 8 V N 0.167 120.012 119.914 -0.115 0.000 2.343 8 V HA -0.267 3.854 4.120 0.001 0.000 0.247 8 V C 2.515 178.734 176.094 0.208 0.000 1.051 8 V CA 2.346 64.619 62.300 -0.045 0.000 1.036 8 V CB -0.665 31.063 31.823 -0.157 0.000 0.654 8 V HN 0.636 nan 8.190 nan 0.000 0.451 9 K N -0.121 120.320 120.400 0.068 0.000 2.032 9 K HA -0.250 4.071 4.320 0.001 0.000 0.209 9 K C 1.937 178.554 176.600 0.027 0.000 1.048 9 K CA 2.058 58.378 56.287 0.055 0.000 0.927 9 K CB -0.270 32.215 32.500 -0.025 0.000 0.712 9 K HN 0.431 nan 8.250 nan 0.000 0.441 10 D N 0.030 120.465 120.400 0.059 0.000 2.117 10 D HA -0.177 4.464 4.640 0.001 0.000 0.197 10 D C 1.638 177.998 176.300 0.100 0.000 0.987 10 D CA 0.903 54.930 54.000 0.045 0.000 0.829 10 D CB -0.292 40.555 40.800 0.077 0.000 0.961 10 D HN 0.228 nan 8.370 nan 0.000 0.460 11 F N 1.482 121.506 119.950 0.122 0.000 2.095 11 F HA -0.147 4.381 4.527 0.001 0.000 0.298 11 F C 2.050 177.911 175.800 0.101 0.000 1.104 11 F CA 1.200 59.294 58.000 0.156 0.000 1.232 11 F CB -0.595 38.614 39.000 0.348 0.000 0.987 11 F HN -0.111 nan 8.300 nan 0.000 0.475 12 L N -0.038 120.991 121.223 -0.323 0.000 2.046 12 L HA -0.239 4.101 4.340 0.001 0.000 0.208 12 L C 2.595 179.271 176.870 -0.323 0.000 1.077 12 L CA 1.336 55.942 54.840 -0.389 0.000 0.747 12 L CB -0.833 41.290 42.059 0.107 0.000 0.896 12 L HN 0.256 nan 8.230 nan 0.000 0.432 13 L N -0.219 120.788 121.223 -0.359 0.000 2.046 13 L HA -0.243 4.098 4.340 0.001 0.000 0.208 13 L C 2.699 179.407 176.870 -0.270 0.000 1.077 13 L CA 1.433 56.014 54.840 -0.432 0.000 0.747 13 L CB -0.498 41.281 42.059 -0.466 0.000 0.896 13 L HN 0.245 nan 8.230 nan 0.000 0.432 14 K N 0.315 120.592 120.400 -0.206 0.000 2.097 14 K HA -0.218 4.103 4.320 0.001 0.000 0.205 14 K C 2.169 178.672 176.600 -0.161 0.000 1.050 14 K CA 1.136 57.342 56.287 -0.136 0.000 0.938 14 K CB -0.072 32.398 32.500 -0.049 0.000 0.718 14 K HN 0.059 nan 8.250 nan 0.000 0.442 15 L N 1.836 122.888 121.223 -0.285 0.000 2.012 15 L HA -0.223 4.118 4.340 0.001 0.000 0.210 15 L C 2.499 179.261 176.870 -0.180 0.000 1.073 15 L CA 1.850 56.527 54.840 -0.272 0.000 0.748 15 L CB -0.656 41.084 42.059 -0.532 0.000 0.891 15 L HN 0.343 nan 8.230 nan 0.000 0.431 16 Q N -0.861 118.823 119.800 -0.194 0.000 2.061 16 Q HA -0.254 4.086 4.340 0.001 0.000 0.204 16 Q C 1.795 177.694 176.000 -0.169 0.000 0.984 16 Q CA 2.161 57.866 55.803 -0.163 0.000 0.846 16 Q CB -0.120 28.535 28.738 -0.138 0.000 0.902 16 Q HN 0.565 nan 8.270 nan 0.000 0.421 17 D N 0.629 120.940 120.400 -0.149 0.000 2.104 17 D HA -0.164 4.477 4.640 0.001 0.000 0.194 17 D C 1.542 177.792 176.300 -0.084 0.000 0.994 17 D CA 1.440 55.372 54.000 -0.114 0.000 0.830 17 D CB -0.346 40.399 40.800 -0.092 0.000 0.959 17 D HN 0.336 nan 8.370 nan 0.000 0.452 18 D N 0.043 120.402 120.400 -0.069 0.000 2.117 18 D HA -0.048 4.592 4.640 0.001 0.000 0.198 18 D C 2.327 178.618 176.300 -0.015 0.000 0.982 18 D CA 0.333 54.314 54.000 -0.031 0.000 0.828 18 D CB -0.194 40.595 40.800 -0.017 0.000 0.967 18 D HN 0.273 nan 8.370 nan 0.000 0.464 19 I N 0.373 120.927 120.570 -0.026 0.000 2.252 19 I HA -0.253 3.918 4.170 0.001 0.000 0.245 19 I C 2.376 178.490 176.117 -0.005 0.000 1.102 19 I CA 0.568 61.882 61.300 0.024 0.000 1.385 19 I CB -0.134 37.891 38.000 0.042 0.000 1.064 19 I HN 0.059 nan 8.210 nan 0.000 0.414 20 C N 0.479 119.686 119.300 -0.155 0.000 2.429 20 C HA -0.178 4.282 4.460 0.001 0.000 0.277 20 C C 2.794 177.833 174.990 0.081 0.000 1.262 20 C CA 1.140 60.004 59.018 -0.258 0.000 1.733 20 C CB -0.988 26.437 27.740 -0.526 0.000 2.010 20 C HN 0.537 nan 8.230 nan 0.000 0.483 21 E N 0.996 121.218 120.200 0.037 0.000 2.077 21 E HA -0.185 4.166 4.350 0.001 0.000 0.193 21 E C 2.187 178.836 176.600 0.081 0.000 0.989 21 E CA 1.374 57.815 56.400 0.067 0.000 0.800 21 E CB -0.179 29.538 29.700 0.028 0.000 0.746 21 E HN 0.585 nan 8.360 nan 0.000 0.452 22 A N 0.932 123.793 122.820 0.068 0.000 1.898 22 A HA -0.124 4.197 4.320 0.001 0.000 0.216 22 A C 2.201 179.840 177.584 0.090 0.000 1.181 22 A CA 1.116 53.188 52.037 0.059 0.000 0.620 22 A CB -0.600 18.422 19.000 0.037 0.000 0.819 22 A HN 0.314 nan 8.150 nan 0.000 0.442 23 L N -0.887 120.437 121.223 0.168 0.000 2.093 23 L HA -0.169 4.171 4.340 0.001 0.000 0.208 23 L C 2.557 179.534 176.870 0.178 0.000 1.085 23 L CA 1.422 56.393 54.840 0.219 0.000 0.755 23 L CB -0.556 41.742 42.059 0.398 0.000 0.904 23 L HN 0.457 nan 8.230 nan 0.000 0.435 24 E N 0.233 120.564 120.200 0.219 0.000 2.077 24 E HA -0.226 4.124 4.350 0.001 0.000 0.193 24 E C 2.310 178.951 176.600 0.068 0.000 0.989 24 E CA 1.175 57.655 56.400 0.132 0.000 0.800 24 E CB -0.143 29.658 29.700 0.169 0.000 0.746 24 E HN 0.498 nan 8.360 nan 0.000 0.452 25 A N 1.350 124.208 122.820 0.064 0.000 1.933 25 A HA -0.197 4.124 4.320 0.001 0.000 0.218 25 A C 1.945 179.540 177.584 0.018 0.000 1.175 25 A CA 1.195 53.252 52.037 0.033 0.000 0.628 25 A CB -0.218 18.797 19.000 0.026 0.000 0.814 25 A HN 0.072 nan 8.150 nan 0.000 0.444 26 E N 0.021 120.232 120.200 0.019 0.000 2.107 26 E HA -0.149 4.202 4.350 0.001 0.000 0.191 26 E C 1.595 178.195 176.600 -0.000 0.000 0.982 26 E CA 1.081 57.480 56.400 -0.002 0.000 0.809 26 E CB -0.347 29.343 29.700 -0.016 0.000 0.756 26 E HN 0.723 nan 8.360 nan 0.000 0.459 27 D N -0.396 120.009 120.400 0.007 0.000 2.085 27 D HA -0.120 4.521 4.640 0.001 0.000 0.199 27 D C 1.376 177.674 176.300 -0.004 0.000 0.981 27 D CA 1.895 55.893 54.000 -0.004 0.000 0.834 27 D CB 0.272 41.058 40.800 -0.023 0.000 0.992 27 D HN 0.267 nan 8.370 nan 0.000 0.457 28 G N 1.110 109.910 108.800 0.000 0.000 2.212 28 G HA2 -0.367 3.594 3.960 0.001 0.000 0.266 28 G HA3 -0.367 3.594 3.960 0.001 0.000 0.266 28 G C 0.917 175.816 174.900 -0.002 0.000 0.978 28 G CA 1.132 46.233 45.100 0.002 0.000 0.632 28 G HN 0.534 nan 8.290 nan 0.000 0.537 29 Q N -0.427 119.367 119.800 -0.010 0.000 2.606 29 Q HA 0.671 5.011 4.340 0.001 0.000 0.215 29 Q C 1.521 177.508 176.000 -0.022 0.000 0.908 29 Q CA 0.917 56.712 55.803 -0.013 0.000 0.908 29 Q CB 0.393 29.124 28.738 -0.013 0.000 1.120 29 Q HN 1.015 nan 8.270 nan 0.000 0.628 30 A N 0.736 123.530 122.820 -0.043 0.000 2.269 30 A HA 0.614 4.935 4.320 0.001 0.000 0.319 30 A C -0.265 177.271 177.584 -0.079 0.000 1.110 30 A CA 0.017 52.014 52.037 -0.068 0.000 0.847 30 A CB 1.030 19.968 19.000 -0.104 0.000 1.161 30 A HN 0.417 nan 8.150 nan 0.000 0.497 31 T N -1.822 112.687 114.554 -0.075 0.000 2.916 31 T HA 0.665 5.016 4.350 0.001 0.000 0.292 31 T C -0.538 174.120 174.700 -0.070 0.000 1.055 31 T CA -0.518 61.561 62.100 -0.035 0.000 1.009 31 T CB 0.697 69.588 68.868 0.039 0.000 1.118 31 T HN 0.266 nan 8.240 nan 0.000 0.497 32 F N 1.695 121.666 119.950 0.035 0.000 2.529 32 F HA 0.402 4.930 4.527 0.001 0.000 0.365 32 F C 0.916 176.740 175.800 0.040 0.000 1.102 32 F CA -0.261 57.764 58.000 0.042 0.000 1.271 32 F CB 0.823 39.850 39.000 0.044 0.000 1.120 32 F HN 0.560 nan 8.300 nan 0.000 0.579 33 V N 1.070 121.114 119.914 0.216 0.000 2.435 33 V HA 0.504 4.625 4.120 0.001 0.000 0.290 33 V C -0.479 175.717 176.094 0.170 0.000 1.030 33 V CA -0.908 61.482 62.300 0.151 0.000 0.881 33 V CB 1.544 33.425 31.823 0.096 0.000 0.983 33 V HN 0.815 nan 8.190 nan 0.000 0.445 34 E N 2.729 123.008 120.200 0.132 0.000 2.197 34 E HA 0.375 4.725 4.350 0.001 0.000 0.281 34 E C -1.378 175.297 176.600 0.125 0.000 0.995 34 E CA -0.547 55.928 56.400 0.124 0.000 0.808 34 E CB 1.430 31.181 29.700 0.086 0.000 1.093 34 E HN 0.907 nan 8.360 nan 0.000 0.394 35 D N 4.344 124.842 120.400 0.162 0.000 2.454 35 D HA 0.147 4.788 4.640 0.001 0.000 0.247 35 D C -1.257 175.199 176.300 0.260 0.000 1.129 35 D CA -0.626 53.491 54.000 0.195 0.000 0.877 35 D CB 0.574 41.497 40.800 0.205 0.000 1.082 35 D HN 0.352 nan 8.370 nan 0.000 0.537 36 K N 3.235 123.741 120.400 0.177 0.000 2.172 36 K HA 0.600 4.921 4.320 0.001 0.000 0.276 36 K C -0.194 176.517 176.600 0.186 0.000 1.013 36 K CA -0.924 55.423 56.287 0.100 0.000 0.913 36 K CB 1.586 34.098 32.500 0.021 0.000 1.055 36 K HN 0.355 nan 8.250 nan 0.000 0.461 37 W N 0.420 121.755 121.300 0.059 0.000 3.083 37 W HA 0.478 5.139 4.660 0.001 0.000 0.333 37 W C -1.317 175.228 176.519 0.043 0.000 1.217 37 W CA -0.997 56.374 57.345 0.044 0.000 1.170 37 W CB 0.867 30.352 29.460 0.040 0.000 1.437 37 W HN 0.716 nan 8.180 nan 0.000 0.557 38 T N -0.283 114.465 114.554 0.323 0.000 2.901 38 T HA 0.750 5.101 4.350 0.001 0.000 0.293 38 T C -1.261 173.626 174.700 0.311 0.000 1.084 38 T CA -0.881 61.327 62.100 0.179 0.000 1.008 38 T CB 3.113 72.017 68.868 0.059 0.000 1.170 38 T HN 0.642 nan 8.240 nan 0.000 0.509 39 R N -0.189 120.441 120.500 0.217 0.000 2.750 39 R HA 0.609 4.949 4.340 0.001 0.000 0.281 39 R C -0.220 176.127 176.300 0.078 0.000 0.972 39 R CA -0.048 56.161 56.100 0.181 0.000 0.912 39 R CB 1.249 31.691 30.300 0.235 0.000 1.187 39 R HN 0.972 nan 8.270 nan 0.000 0.464 40 E N 1.437 121.670 120.200 0.055 0.000 2.491 40 E HA 0.238 4.589 4.350 0.001 0.000 0.250 40 E C 1.021 177.620 176.600 -0.001 0.000 1.061 40 E CA 0.303 56.714 56.400 0.019 0.000 0.942 40 E CB -0.618 nan 29.700 nan 0.000 0.957 40 E HN 1.016 nan 8.360 nan 0.000 0.480 41 G N 1.828 110.607 108.800 -0.036 0.000 2.296 41 G HA2 -0.083 3.878 3.960 0.001 0.000 0.282 41 G HA3 -0.083 3.878 3.960 0.001 0.000 0.282 41 G C 0.934 175.790 174.900 -0.073 0.000 1.014 41 G CA 0.909 45.964 45.100 -0.076 0.000 0.812 41 G HN 1.792 nan 8.290 nan 0.000 0.508 42 G N -1.554 107.227 108.800 -0.032 0.000 3.979 42 G HA2 0.620 4.581 3.960 0.001 0.000 0.287 42 G HA3 0.620 4.581 3.960 0.001 0.000 0.287 42 G C 1.210 176.146 174.900 0.061 0.000 1.011 42 G CA 1.417 46.530 45.100 0.022 0.000 0.818 42 G HN 1.899 nan 8.290 nan 0.000 0.470 43 G N -0.360 108.441 108.800 0.002 0.000 2.509 43 G HA2 0.363 4.324 3.960 0.001 0.000 0.256 43 G HA3 0.363 4.324 3.960 0.001 0.000 0.256 43 G C 0.571 175.419 174.900 -0.087 0.000 1.152 43 G CA 0.506 45.598 45.100 -0.012 0.000 0.951 43 G HN 1.955 nan 8.290 nan 0.000 0.559 44 G N -2.458 106.205 108.800 -0.228 0.000 2.360 44 G HA2 0.794 4.755 3.960 0.001 0.000 0.276 44 G HA3 0.794 4.755 3.960 0.001 0.000 0.276 44 G C 0.006 174.211 174.900 -1.158 0.000 1.256 44 G CA 1.088 45.777 45.100 -0.685 0.000 0.890 44 G HN 2.669 nan 8.290 nan 0.000 0.486 45 G N -1.244 106.547 108.800 -1.682 0.000 2.559 45 G HA2 0.633 4.594 3.960 0.001 0.000 0.291 45 G HA3 0.633 4.594 3.960 0.001 0.000 0.291 45 G C -1.806 172.695 174.900 -0.666 0.000 1.424 45 G CA -0.778 43.697 45.100 -1.041 0.000 0.786 45 G HN 0.602 nan 8.290 nan 0.000 0.485 46 R N 0.520 120.991 120.500 -0.048 0.000 2.468 46 R HA 0.503 4.844 4.340 0.001 0.000 0.302 46 R C -1.113 175.314 176.300 0.212 0.000 1.041 46 R CA -0.623 55.523 56.100 0.077 0.000 0.899 46 R CB 1.870 32.205 30.300 0.060 0.000 1.167 46 R HN 0.418 nan 8.270 nan 0.000 0.483 47 T N 3.618 118.354 114.554 0.304 0.000 2.767 47 T HA 0.379 4.730 4.350 0.001 0.000 0.284 47 T C 0.066 174.890 174.700 0.207 0.000 0.973 47 T CA -0.522 61.751 62.100 0.289 0.000 0.996 47 T CB 1.055 70.131 68.868 0.347 0.000 0.927 47 T HN 0.261 nan 8.240 nan 0.000 0.456 48 R N 2.062 122.664 120.500 0.170 0.000 2.437 48 R HA 0.725 5.066 4.340 0.001 0.000 0.310 48 R C -0.405 176.121 176.300 0.377 0.000 0.955 48 R CA -0.759 55.465 56.100 0.207 0.000 0.851 48 R CB 1.701 32.018 30.300 0.028 0.000 1.161 48 R HN 0.538 nan 8.270 nan 0.000 0.446 52 D N 2.841 123.219 120.400 -0.037 0.000 2.699 52 D HA -0.134 4.506 4.640 0.001 0.000 0.239 52 D C 0.415 176.695 176.300 -0.032 0.000 1.136 52 D CA 1.571 55.554 54.000 -0.028 0.000 0.668 52 D CB -0.835 39.953 40.800 -0.020 0.000 1.060 52 D HN 1.205 nan 8.370 nan 0.000 0.429 53 G N -0.769 108.005 108.800 -0.044 0.000 2.588 53 G HA2 0.491 4.452 3.960 0.001 0.000 0.281 53 G HA3 0.491 4.452 3.960 0.001 0.000 0.281 53 G C 1.253 176.142 174.900 -0.017 0.000 1.236 53 G CA 0.058 45.132 45.100 -0.043 0.000 0.969 53 G HN 0.235 nan 8.290 nan 0.000 0.504 54 A N -1.307 121.507 122.820 -0.010 0.000 2.015 54 A HA 0.163 4.484 4.320 0.001 0.000 0.219 54 A C 1.983 179.577 177.584 0.017 0.000 1.163 54 A CA 2.037 54.079 52.037 0.008 0.000 0.646 54 A CB -0.129 18.875 19.000 0.007 0.000 0.806 54 A HN 0.511 nan 8.150 nan 0.000 0.448 55 V N -1.272 118.644 119.914 0.003 0.000 3.058 55 V HA 0.258 4.378 4.120 0.001 0.000 0.233 55 V C 0.540 176.637 176.094 0.005 0.000 1.255 55 V CA 0.121 62.425 62.300 0.006 0.000 1.267 55 V CB 0.051 31.875 31.823 0.002 0.000 1.049 55 V HN 0.349 nan 8.190 nan 0.000 0.486 56 I N 1.587 122.154 120.570 -0.006 0.000 2.297 56 I HA 0.207 4.378 4.170 0.001 0.000 0.291 56 I C 1.368 177.475 176.117 -0.017 0.000 1.033 56 I CA 0.257 61.557 61.300 0.001 0.000 1.253 56 I CB 1.478 39.465 38.000 -0.021 0.000 1.396 56 I HN 0.282 nan 8.210 nan 0.000 0.476 57 E N 5.967 126.169 120.200 0.003 0.000 2.072 57 E HA -0.051 4.299 4.350 0.001 0.000 0.190 57 E C 0.559 177.161 176.600 0.004 0.000 0.982 57 E CA 0.979 57.375 56.400 -0.007 0.000 0.803 57 E CB 0.511 30.198 29.700 -0.022 0.000 0.755 57 E HN 0.482 nan 8.360 nan 0.000 0.453 58 K N -0.580 119.849 120.400 0.048 0.000 2.588 58 K HA 0.431 4.752 4.320 0.001 0.000 0.250 58 K C -1.563 175.103 176.600 0.110 0.000 0.972 58 K CA -0.337 55.995 56.287 0.076 0.000 0.821 58 K CB 1.848 34.412 32.500 0.107 0.000 1.249 58 K HN 0.133 nan 8.250 nan 0.000 0.442 59 G N 1.371 110.223 108.800 0.086 0.000 2.701 59 G HA2 0.668 4.628 3.960 0.001 0.000 0.300 59 G HA3 0.668 4.628 3.960 0.001 0.000 0.300 59 G C -1.151 173.905 174.900 0.259 0.000 1.410 59 G CA -0.895 44.296 45.100 0.152 0.000 1.014 59 G HN 0.587 nan 8.290 nan 0.000 0.509 60 G N -0.486 108.465 108.800 0.250 0.000 2.590 60 G HA2 0.586 4.546 3.960 0.001 0.000 0.310 60 G HA3 0.586 4.546 3.960 0.001 0.000 0.310 60 G C -1.260 173.747 174.900 0.179 0.000 1.347 60 G CA -0.556 44.694 45.100 0.251 0.000 0.963 60 G HN 0.935 nan 8.290 nan 0.000 0.494 61 V N 2.945 122.927 119.914 0.114 0.000 2.380 61 V HA 0.378 4.499 4.120 0.001 0.000 0.286 61 V C -0.946 175.159 176.094 0.019 0.000 1.015 61 V CA -1.216 61.070 62.300 -0.023 0.000 0.834 61 V CB 1.198 32.884 31.823 -0.228 0.000 1.009 61 V HN 0.645 nan 8.190 nan 0.000 0.428 62 N N 3.411 122.152 118.700 0.070 0.000 2.399 62 N HA 0.609 5.350 4.740 0.001 0.000 0.295 62 N C -1.045 174.556 175.510 0.152 0.000 1.048 62 N CA -0.382 52.752 53.050 0.138 0.000 0.886 62 N CB 2.193 40.779 38.487 0.165 0.000 1.185 62 N HN 0.636 nan 8.380 nan 0.000 0.487 63 F N 0.822 120.788 119.950 0.027 0.000 2.458 63 F HA 0.627 5.155 4.527 0.001 0.000 0.336 63 F C -0.405 175.409 175.800 0.022 0.000 1.114 63 F CA -0.293 57.703 58.000 -0.007 0.000 0.987 63 F CB 1.113 40.075 39.000 -0.062 0.000 1.130 63 F HN 0.240 nan 8.300 nan 0.000 0.458 64 S N 4.480 119.675 115.700 -0.842 0.000 2.548 64 S HA 0.362 4.833 4.470 0.001 0.000 0.286 64 S C -1.749 172.344 174.600 -0.845 0.000 1.098 64 S CA -0.572 57.262 58.200 -0.611 0.000 0.930 64 S CB 1.288 64.439 63.200 -0.082 0.000 1.070 64 S HN 0.810 nan 8.310 nan 0.000 0.480 65 H N 1.553 120.266 119.070 -0.594 0.000 3.078 65 H HA 0.578 5.135 4.556 0.001 0.000 0.319 65 H C -1.721 173.491 175.328 -0.193 0.000 0.995 65 H CA -0.465 55.359 56.048 -0.373 0.000 1.417 65 H CB 0.616 30.271 29.762 -0.178 0.000 1.598 65 H HN 0.348 nan 8.280 nan 0.000 0.515 66 V N 5.841 125.726 119.914 -0.049 0.000 2.483 66 V HA 0.282 4.403 4.120 0.001 0.000 0.295 66 V C -0.833 175.065 176.094 -0.327 0.000 1.035 66 V CA -0.464 61.804 62.300 -0.053 0.000 0.896 66 V CB 1.376 33.287 31.823 0.146 0.000 0.986 66 V HN 0.599 nan 8.190 nan 0.000 0.447 67 Y N 1.509 121.594 120.300 -0.359 0.000 2.509 67 Y HA 0.839 5.390 4.550 0.001 0.000 0.341 67 Y C 0.607 176.089 175.900 -0.697 0.000 1.038 67 Y CA -0.502 57.251 58.100 -0.578 0.000 1.089 67 Y CB 2.547 40.764 38.460 -0.405 0.000 1.241 67 Y HN 0.765 nan 8.280 nan 0.000 0.468 68 G N 1.575 109.843 108.800 -0.885 0.000 2.742 68 G HA2 0.458 4.419 3.960 0.001 0.000 0.296 68 G HA3 0.458 4.419 3.960 0.001 0.000 0.296 68 G C -1.935 172.866 174.900 -0.165 0.000 1.436 68 G CA -1.183 43.657 45.100 -0.434 0.000 0.928 68 G HN 0.411 nan 8.290 nan 0.000 0.520 69 K N 1.133 121.547 120.400 0.024 0.000 2.268 69 K HA 0.564 4.884 4.320 0.001 0.000 0.276 69 K C 0.508 177.206 176.600 0.163 0.000 1.080 69 K CA 0.404 56.738 56.287 0.078 0.000 0.910 69 K CB 1.246 33.770 32.500 0.040 0.000 1.163 69 K HN 1.467 nan 8.250 nan 0.000 0.465 70 G N 2.340 111.277 108.800 0.228 0.000 2.722 70 G HA2 -0.235 3.726 3.960 0.001 0.000 0.686 70 G HA3 -0.235 3.726 3.960 0.001 0.000 0.686 70 G C -0.496 174.619 174.900 0.359 0.000 1.282 70 G CA -1.042 44.203 45.100 0.242 0.000 0.817 70 G HN 0.447 nan 8.290 nan 0.000 0.605 71 L N 2.320 123.691 121.223 0.247 0.000 2.453 71 L HA 0.400 4.740 4.340 0.001 0.000 0.261 71 L C -0.964 176.010 176.870 0.174 0.000 1.179 71 L CA -1.658 53.263 54.840 0.135 0.000 0.813 71 L CB 0.359 42.433 42.059 0.025 0.000 1.110 71 L HN 0.505 nan 8.230 nan 0.000 0.466 75 S N 2.679 118.464 115.700 0.142 0.000 2.481 75 S HA 0.005 4.476 4.470 0.001 0.000 0.231 75 S C 2.006 176.622 174.600 0.027 0.000 0.996 75 S CA 1.498 59.699 58.200 0.000 0.000 0.942 75 S CB -0.482 62.693 63.200 -0.042 0.000 0.768 75 S HN 0.902 nan 8.310 nan 0.000 0.520 76 T N 1.379 115.960 114.554 0.045 0.000 2.995 76 T HA -0.041 4.309 4.350 0.001 0.000 0.269 76 T C 1.643 176.344 174.700 0.001 0.000 1.091 76 T CA 0.826 62.951 62.100 0.041 0.000 1.128 76 T CB -0.197 68.701 68.868 0.050 0.000 0.891 76 T HN 0.558 nan 8.240 nan 0.000 0.492 77 E N 1.675 121.860 120.200 -0.025 0.000 2.112 77 E HA -0.088 4.263 4.350 0.001 0.000 0.190 77 E C 2.317 178.843 176.600 -0.124 0.000 0.979 77 E CA 0.587 56.953 56.400 -0.056 0.000 0.814 77 E CB -0.306 29.367 29.700 -0.045 0.000 0.762 77 E HN 0.521 nan 8.360 nan 0.000 0.460 78 R N 0.116 120.499 120.500 -0.196 0.000 2.100 78 R HA -0.010 4.331 4.340 0.001 0.000 0.220 78 R C 0.463 176.384 176.300 -0.631 0.000 1.091 78 R CA 0.812 56.656 56.100 -0.427 0.000 0.986 78 R CB 0.277 30.270 30.300 -0.512 0.000 0.888 78 R HN 0.173 nan 8.270 nan 0.000 0.444 79 H N -0.116 118.902 119.070 -0.086 0.000 2.336 79 H HA 0.199 4.756 4.556 0.001 0.000 0.230 79 H C -2.059 173.265 175.328 -0.006 0.000 1.426 79 H CA -1.805 54.215 56.048 -0.047 0.000 1.359 79 H CB 1.658 31.402 29.762 -0.031 0.000 1.555 79 H HN 0.256 nan 8.280 nan 0.000 0.512 80 P HA -0.121 nan 4.420 nan 0.000 0.220 80 P C 1.175 178.516 177.300 0.069 0.000 1.152 80 P CA 0.946 64.075 63.100 0.048 0.000 0.812 80 P CB 0.485 32.192 31.700 0.013 0.000 0.792 81 D N 1.488 121.935 120.400 0.079 0.000 2.178 81 D HA -0.150 4.491 4.640 0.001 0.000 0.202 81 D C 1.602 177.964 176.300 0.102 0.000 0.974 81 D CA 0.981 55.030 54.000 0.080 0.000 0.841 81 D CB -1.044 39.803 40.800 0.077 0.000 0.953 81 D HN 0.364 nan 8.370 nan 0.000 0.478 82 I N -3.680 116.972 120.570 0.136 0.000 3.816 82 I HA 0.572 4.743 4.170 0.001 0.000 0.334 82 I C 1.620 177.824 176.117 0.146 0.000 1.551 82 I CA -0.593 60.796 61.300 0.150 0.000 1.153 82 I CB 0.497 38.614 38.000 0.195 0.000 1.197 82 I HN -0.110 nan 8.210 nan 0.000 0.439 83 A N 1.533 124.425 122.820 0.120 0.000 2.015 83 A HA 0.095 4.416 4.320 0.001 0.000 0.219 83 A C 2.105 179.761 177.584 0.120 0.000 1.163 83 A CA 1.491 53.594 52.037 0.112 0.000 0.646 83 A CB -0.789 18.264 19.000 0.087 0.000 0.806 83 A HN 0.600 nan 8.150 nan 0.000 0.448 84 G N -0.914 107.953 108.800 0.112 0.000 3.189 84 G HA2 0.265 4.226 3.960 0.001 0.000 0.225 84 G HA3 0.265 4.226 3.960 0.001 0.000 0.225 84 G C 0.617 175.591 174.900 0.124 0.000 1.159 84 G CA 0.482 45.647 45.100 0.108 0.000 0.763 84 G HN 0.773 nan 8.290 nan 0.000 0.549 85 C N 0.304 119.695 119.300 0.151 0.000 2.605 85 C HA 0.529 4.989 4.460 0.001 0.000 0.404 85 C C 0.247 175.355 174.990 0.197 0.000 1.284 85 C CA -1.901 57.208 59.018 0.152 0.000 2.199 85 C CB 0.351 28.185 27.740 0.156 0.000 2.647 85 C HN 0.215 nan 8.230 nan 0.000 0.604 86 N N 2.211 120.987 118.700 0.127 0.000 2.492 86 N HA 0.504 5.245 4.740 0.001 0.000 0.262 86 N C -0.617 174.957 175.510 0.106 0.000 1.202 86 N CA 0.175 53.281 53.050 0.092 0.000 0.926 86 N CB 0.449 38.953 38.487 0.027 0.000 1.078 86 N HN 0.834 nan 8.380 nan 0.000 0.454 87 F N -1.226 118.683 119.950 -0.068 0.000 2.613 87 F HA 0.643 5.171 4.527 0.001 0.000 0.314 87 F C -0.559 175.082 175.800 -0.265 0.000 1.075 87 F CA -1.031 56.819 58.000 -0.249 0.000 0.945 87 F CB 1.566 40.422 39.000 -0.240 0.000 1.310 87 F HN 0.216 nan 8.300 nan 0.000 0.467 88 E N 1.436 121.421 120.200 -0.359 0.000 2.248 88 E HA 0.745 5.095 4.350 0.001 0.000 0.267 88 E C -1.162 175.329 176.600 -0.182 0.000 0.877 88 E CA -1.267 54.864 56.400 -0.447 0.000 0.759 88 E CB 2.355 31.775 29.700 -0.467 0.000 1.182 88 E HN 0.968 nan 8.360 nan 0.000 0.418 92 V N 0.418 120.339 119.914 0.012 0.000 2.513 92 V HA 0.803 4.923 4.120 0.001 0.000 0.299 92 V C 0.121 176.200 176.094 -0.025 0.000 1.035 92 V CA -0.549 61.760 62.300 0.015 0.000 0.889 92 V CB 1.543 33.359 31.823 -0.011 0.000 0.988 92 V HN 0.937 nan 8.190 nan 0.000 0.440 93 S N 4.842 120.538 115.700 -0.006 0.000 2.547 93 S HA 0.903 5.374 4.470 0.001 0.000 0.281 93 S C -1.258 173.339 174.600 -0.005 0.000 1.118 93 S CA -0.562 57.637 58.200 -0.001 0.000 0.947 93 S CB 1.349 64.603 63.200 0.089 0.000 1.053 93 S HN 0.811 nan 8.310 nan 0.000 0.482 94 L N 2.056 123.243 121.223 -0.060 0.000 2.466 94 L HA 0.975 5.316 4.340 0.001 0.000 0.258 94 L C -1.649 175.226 176.870 0.010 0.000 0.973 94 L CA -0.839 53.973 54.840 -0.047 0.000 0.826 94 L CB 1.736 43.700 42.059 -0.160 0.000 1.372 94 L HN 0.347 nan 8.230 nan 0.000 0.409 95 V N 3.428 123.366 119.914 0.039 0.000 2.686 95 V HA 0.604 4.725 4.120 0.001 0.000 0.306 95 V C -0.801 175.218 176.094 -0.124 0.000 1.065 95 V CA -0.306 61.977 62.300 -0.029 0.000 0.894 95 V CB 2.003 33.844 31.823 0.031 0.000 1.004 95 V HN 0.648 nan 8.190 nan 0.000 0.424 96 I N 4.129 124.569 120.570 -0.217 0.000 2.389 96 I HA 0.466 4.636 4.170 0.001 0.000 0.288 96 I C -0.511 175.455 176.117 -0.251 0.000 0.999 96 I CA -0.486 60.748 61.300 -0.110 0.000 1.129 96 I CB 1.504 39.557 38.000 0.087 0.000 1.288 96 I HN 0.593 nan 8.210 nan 0.000 0.444 97 H N 6.276 125.362 119.070 0.027 0.000 2.691 97 H HA 0.369 4.926 4.556 0.001 0.000 0.281 97 H C -2.390 172.938 175.328 -0.000 0.000 1.121 97 H CA -1.977 54.062 56.048 -0.016 0.000 1.254 97 H CB 1.213 30.936 29.762 -0.066 0.000 1.390 97 H HN 0.210 nan 8.280 nan 0.000 0.491 98 P HA 0.024 nan 4.420 nan 0.000 0.272 98 P C 1.262 178.544 177.300 -0.031 0.000 1.223 98 P CA -0.331 62.804 63.100 0.059 0.000 0.784 98 P CB 1.756 33.501 31.700 0.075 0.000 0.923 99 K N 1.824 122.192 120.400 -0.052 0.000 2.026 99 K HA -0.129 4.192 4.320 0.001 0.000 0.208 99 K C 0.745 177.181 176.600 -0.273 0.000 1.048 99 K CA 1.070 57.294 56.287 -0.105 0.000 0.929 99 K CB -0.204 32.278 32.500 -0.029 0.000 0.713 99 K HN 0.384 nan 8.250 nan 0.000 0.439 100 N N 1.054 119.581 118.700 -0.289 0.000 2.442 100 N HA 0.041 4.782 4.740 0.001 0.000 0.265 100 N C -2.206 173.073 175.510 -0.384 0.000 1.138 100 N CA -1.720 50.994 53.050 -0.559 0.000 0.956 100 N CB 1.491 39.847 38.487 -0.217 0.000 1.067 100 N HN -0.052 nan 8.380 nan 0.000 0.474 101 P HA -0.117 nan 4.420 nan 0.000 0.220 101 P C 0.493 177.763 177.300 -0.050 0.000 1.144 101 P CA 1.266 64.205 63.100 -0.268 0.000 0.800 101 P CB 0.075 31.660 31.700 -0.191 0.000 0.772 102 H N -1.814 117.294 119.070 0.062 0.000 2.547 102 H HA 0.126 4.683 4.556 0.001 0.000 0.266 102 H C 0.271 175.649 175.328 0.084 0.000 0.988 102 H CA 0.342 56.461 56.048 0.118 0.000 1.147 102 H CB 0.055 29.842 29.762 0.042 0.000 1.365 102 H HN 0.025 nan 8.280 nan 0.000 0.589 103 V N 3.627 123.623 119.914 0.138 0.000 2.370 103 V HA 0.192 4.313 4.120 0.001 0.000 0.279 103 V C -2.070 174.130 176.094 0.177 0.000 1.029 103 V CA -1.953 60.409 62.300 0.102 0.000 0.870 103 V CB 1.633 33.484 31.823 0.047 0.000 0.984 103 V HN -0.003 nan 8.190 nan 0.000 0.451 104 P HA 0.129 nan 4.420 nan 0.000 0.269 104 P C 0.268 177.666 177.300 0.163 0.000 1.209 104 P CA 0.086 63.230 63.100 0.074 0.000 0.776 104 P CB 0.309 31.984 31.700 -0.042 0.000 0.876 105 T N 1.629 116.203 114.554 0.033 0.000 2.900 105 T HA 0.364 4.715 4.350 0.001 0.000 0.307 105 T C 0.354 174.927 174.700 -0.212 0.000 1.065 105 T CA 0.271 62.324 62.100 -0.079 0.000 1.105 105 T CB -0.099 68.652 68.868 -0.195 0.000 0.979 105 T HN 0.579 nan 8.240 nan 0.000 0.544 106 S N 1.553 117.059 115.700 -0.322 0.000 2.618 106 S HA 0.584 5.055 4.470 0.001 0.000 0.277 106 S C -1.418 173.088 174.600 -0.156 0.000 1.138 106 S CA -1.018 56.982 58.200 -0.333 0.000 0.844 106 S CB 2.115 64.829 63.200 -0.810 0.000 1.127 106 S HN 0.898 nan 8.310 nan 0.000 0.474 107 H N 0.208 119.187 119.070 -0.152 0.000 2.894 107 H HA 0.744 5.300 4.556 0.001 0.000 0.367 107 H C -1.484 173.753 175.328 -0.151 0.000 1.144 107 H CA -0.527 55.441 56.048 -0.133 0.000 1.180 107 H CB 1.839 31.573 29.762 -0.047 0.000 1.758 107 H HN 1.155 nan 8.280 nan 0.000 0.541 108 A N 3.587 125.829 122.820 -0.965 0.000 2.587 108 A HA 0.510 4.831 4.320 0.001 0.000 0.293 108 A C -1.452 175.699 177.584 -0.721 0.000 1.087 108 A CA -0.764 50.782 52.037 -0.817 0.000 0.692 108 A CB 2.146 20.626 19.000 -0.866 0.000 1.291 108 A HN 0.830 nan 8.150 nan 0.000 0.407 109 N N -0.810 117.640 118.700 -0.418 0.000 2.431 109 N HA 0.583 5.324 4.740 0.001 0.000 0.275 109 N C -1.643 173.776 175.510 -0.152 0.000 1.091 109 N CA -0.404 52.506 53.050 -0.233 0.000 0.922 109 N CB 2.247 40.642 38.487 -0.154 0.000 1.666 109 N HN 1.098 nan 8.380 nan 0.000 0.484 110 V N 0.510 120.396 119.914 -0.047 0.000 2.686 110 V HA 0.825 4.945 4.120 0.001 0.000 0.306 110 V C -0.744 175.416 176.094 0.110 0.000 1.065 110 V CA -0.805 61.539 62.300 0.073 0.000 0.894 110 V CB 1.376 33.337 31.823 0.229 0.000 1.004 110 V HN 0.902 nan 8.190 nan 0.000 0.424 111 R N 3.403 123.993 120.500 0.150 0.000 2.734 111 R HA 0.930 5.271 4.340 0.001 0.000 0.271 111 R C -2.251 174.125 176.300 0.128 0.000 1.021 111 R CA -0.978 55.187 56.100 0.109 0.000 0.893 111 R CB 2.314 32.628 30.300 0.023 0.000 1.244 111 R HN 0.767 nan 8.270 nan 0.000 0.464 112 L N 1.311 122.505 121.223 -0.048 0.000 2.431 112 L HA 0.640 4.981 4.340 0.001 0.000 0.266 112 L C -1.851 174.879 176.870 -0.232 0.000 0.978 112 L CA -0.729 53.922 54.840 -0.315 0.000 0.822 112 L CB 2.187 43.944 42.059 -0.505 0.000 1.310 112 L HN 0.726 nan 8.230 nan 0.000 0.409 113 F N 5.349 124.977 119.950 -0.537 0.000 2.520 113 F HA 0.846 5.374 4.527 0.001 0.000 0.322 113 F C -1.369 174.106 175.800 -0.542 0.000 1.103 113 F CA -0.558 57.083 58.000 -0.599 0.000 0.926 113 F CB 1.825 40.200 39.000 -1.041 0.000 1.154 113 F HN 0.253 nan 8.300 nan 0.000 0.453 114 V N 5.022 124.281 119.914 -1.092 0.000 2.623 114 V HA 0.802 4.922 4.120 0.001 0.000 0.304 114 V C -0.747 174.819 176.094 -0.881 0.000 1.054 114 V CA -0.725 61.141 62.300 -0.724 0.000 0.882 114 V CB 1.416 33.016 31.823 -0.371 0.000 1.002 114 V HN 1.031 nan 8.190 nan 0.000 0.424 115 A N 3.222 125.717 122.820 -0.542 0.000 2.330 115 A HA 0.726 5.047 4.320 0.001 0.000 0.313 115 A C -0.383 177.164 177.584 -0.061 0.000 1.124 115 A CA -0.559 51.328 52.037 -0.249 0.000 0.774 115 A CB 1.049 20.035 19.000 -0.023 0.000 1.198 115 A HN 0.867 nan 8.150 nan 0.000 0.465 116 E N 2.036 122.218 120.200 -0.030 0.000 2.338 116 E HA 0.344 4.695 4.350 0.001 0.000 0.272 116 E C -0.423 176.200 176.600 0.038 0.000 1.029 116 E CA -0.230 56.171 56.400 0.002 0.000 0.872 116 E CB 0.561 30.258 29.700 -0.004 0.000 1.015 116 E HN 0.595 nan 8.360 nan 0.000 0.417 117 R N 3.115 123.641 120.500 0.044 0.000 2.534 117 R HA 0.124 4.465 4.340 0.001 0.000 0.301 117 R C -0.923 175.403 176.300 0.044 0.000 0.961 117 R CA -0.944 55.189 56.100 0.054 0.000 0.871 117 R CB 1.471 31.811 30.300 0.066 0.000 1.170 117 R HN 0.521 nan 8.270 nan 0.000 0.446 118 E N 1.149 121.374 120.200 0.043 0.000 2.383 118 E HA 0.042 4.393 4.350 0.001 0.000 0.257 118 E C 0.765 177.385 176.600 0.034 0.000 1.079 118 E CA 1.305 57.726 56.400 0.035 0.000 0.934 118 E CB 0.115 29.836 29.700 0.035 0.000 0.978 118 E HN 0.784 nan 8.360 nan 0.000 0.462 119 G N 3.549 112.367 108.800 0.030 0.000 2.168 119 G HA2 -0.325 3.635 3.960 0.001 0.000 0.257 119 G HA3 -0.325 3.635 3.960 0.001 0.000 0.257 119 G C -0.088 174.832 174.900 0.034 0.000 0.997 119 G CA 0.787 45.905 45.100 0.029 0.000 0.708 119 G HN 0.525 nan 8.290 nan 0.000 0.520 120 K N -0.443 119.980 120.400 0.039 0.000 2.509 120 K HA 0.573 4.893 4.320 0.001 0.000 0.266 120 K C -0.149 176.483 176.600 0.053 0.000 0.987 120 K CA -0.968 55.347 56.287 0.048 0.000 0.868 120 K CB 1.173 33.706 32.500 0.054 0.000 1.421 120 K HN 0.048 nan 8.250 nan 0.000 0.444 121 E N 2.594 122.834 120.200 0.066 0.000 2.398 121 E HA 0.087 4.437 4.350 0.001 0.000 0.263 121 E C -2.134 174.527 176.600 0.102 0.000 1.046 121 E CA -1.442 55.008 56.400 0.083 0.000 0.908 121 E CB 0.007 29.772 29.700 0.109 0.000 0.963 121 E HN 0.323 nan 8.360 nan 0.000 0.431 122 P HA -0.017 nan 4.420 nan 0.000 0.269 122 P C -0.100 177.320 177.300 0.200 0.000 1.215 122 P CA -0.103 63.068 63.100 0.119 0.000 0.780 122 P CB 0.642 32.388 31.700 0.077 0.000 0.898 123 V N 4.406 124.412 119.914 0.154 0.000 2.567 123 V HA 0.657 4.778 4.120 0.001 0.000 0.289 123 V C -0.732 175.476 176.094 0.189 0.000 1.049 123 V CA -0.285 62.110 62.300 0.158 0.000 0.969 123 V CB 0.161 32.113 31.823 0.216 0.000 0.995 123 V HN 0.732 nan 8.190 nan 0.000 0.471 124 W N 5.756 127.137 121.300 0.136 0.000 3.248 124 W HA 0.665 5.326 4.660 0.001 0.000 0.311 124 W C -2.246 174.423 176.519 0.250 0.000 1.258 124 W CA -1.439 55.900 57.345 -0.010 0.000 1.191 124 W CB 0.789 30.235 29.460 -0.025 0.000 1.389 124 W HN 0.858 nan 8.180 nan 0.000 0.561 125 W N 0.943 122.448 121.300 0.342 0.000 3.275 125 W HA 0.724 5.385 4.660 0.001 0.000 0.306 125 W C -2.457 174.157 176.519 0.159 0.000 1.259 125 W CA -1.657 55.828 57.345 0.234 0.000 1.194 125 W CB 0.280 29.767 29.460 0.044 0.000 1.375 125 W HN 0.246 nan 8.180 nan 0.000 0.564 126 F N 1.773 122.048 119.950 0.542 0.000 2.450 126 F HA 0.895 5.422 4.527 0.001 0.000 0.328 126 F C 1.022 177.023 175.800 0.335 0.000 1.068 126 F CA -0.009 58.221 58.000 0.382 0.000 1.007 126 F CB 2.092 41.322 39.000 0.382 0.000 1.251 126 F HN 0.707 nan 8.300 nan 0.000 0.492 127 G N -0.693 108.294 108.800 0.312 0.000 2.695 127 G HA2 0.651 4.612 3.960 0.001 0.000 0.290 127 G HA3 0.651 4.612 3.960 0.001 0.000 0.290 127 G C -0.879 173.579 174.900 -0.737 0.000 1.410 127 G CA -0.263 44.660 45.100 -0.294 0.000 0.844 127 G HN 1.103 nan 8.290 nan 0.000 0.478 128 G N -1.792 106.042 108.800 -1.609 0.000 2.334 128 G HA2 0.734 4.695 3.960 0.001 0.000 0.249 128 G HA3 0.734 4.695 3.960 0.001 0.000 0.249 128 G C 0.049 174.125 174.900 -1.372 0.000 1.327 128 G CA 0.984 45.369 45.100 -1.192 0.000 0.979 128 G HN 2.690 nan 8.290 nan 0.000 0.471 129 G N -1.997 106.463 108.800 -0.567 0.000 2.346 129 G HA2 0.663 4.624 3.960 0.001 0.000 0.294 129 G HA3 0.663 4.624 3.960 0.001 0.000 0.294 129 G C -0.969 173.887 174.900 -0.072 0.000 1.294 129 G CA 0.349 45.299 45.100 -0.251 0.000 0.962 129 G HN 2.292 nan 8.290 nan 0.000 0.508 130 F N -0.502 119.494 119.950 0.077 0.000 2.686 130 F HA 0.883 5.410 4.527 0.001 0.000 0.311 130 F C -0.946 175.002 175.800 0.247 0.000 1.128 130 F CA -0.752 57.294 58.000 0.077 0.000 0.946 130 F CB 2.012 41.090 39.000 0.130 0.000 1.336 130 F HN 0.902 nan 8.300 nan 0.000 0.457 131 D N 0.811 121.536 120.400 0.541 0.000 2.623 131 D HA 0.501 5.142 4.640 0.001 0.000 0.241 131 D C -2.210 174.133 176.300 0.072 0.000 1.241 131 D CA -0.462 53.736 54.000 0.329 0.000 0.788 131 D CB 2.740 43.497 40.800 -0.071 0.000 1.413 131 D HN 0.735 nan 8.370 nan 0.000 0.429 132 L N 0.110 121.150 121.223 -0.305 0.000 2.341 132 L HA 0.506 4.847 4.340 0.001 0.000 0.278 132 L C -0.697 175.965 176.870 -0.346 0.000 1.005 132 L CA 0.127 54.638 54.840 -0.549 0.000 0.818 132 L CB 2.080 43.413 42.059 -1.209 0.000 1.259 132 L HN 0.543 nan 8.230 nan 0.000 0.418 133 T N 5.908 120.277 114.554 -0.309 0.000 3.250 133 T HA 0.401 4.752 4.350 0.001 0.000 0.391 133 T C -2.628 171.754 174.700 -0.530 0.000 1.502 133 T CA -0.961 60.942 62.100 -0.328 0.000 1.320 133 T CB 0.620 69.351 68.868 -0.228 0.000 1.102 133 T HN 0.369 nan 8.240 nan 0.000 0.610 134 P HA 0.284 nan 4.420 nan 0.000 0.274 134 P C -0.336 176.544 177.300 -0.701 0.000 1.256 134 P CA -0.362 62.452 63.100 -0.477 0.000 0.795 134 P CB 1.250 32.746 31.700 -0.339 0.000 1.038 135 Y N -1.510 118.730 120.300 -0.100 0.000 2.569 135 Y HA 0.232 4.783 4.550 0.001 0.000 0.278 135 Y C 0.806 176.570 175.900 -0.227 0.000 1.130 135 Y CA 0.668 58.700 58.100 -0.114 0.000 1.280 135 Y CB -0.440 37.955 38.460 -0.108 0.000 1.379 135 Y HN 0.149 nan 8.280 nan 0.000 0.508 136 Y N 1.364 121.772 120.300 0.181 0.000 2.841 136 Y HA 0.632 5.183 4.550 0.001 0.000 0.329 136 Y C 0.316 176.177 175.900 -0.065 0.000 1.062 136 Y CA -1.491 56.653 58.100 0.073 0.000 1.281 136 Y CB 0.058 38.568 38.460 0.084 0.000 1.147 136 Y HN 0.031 nan 8.280 nan 0.000 0.521 137 A N 1.906 124.549 122.820 -0.295 0.000 2.366 137 A HA 0.637 4.957 4.320 0.001 0.000 0.249 137 A C -0.442 176.857 177.584 -0.476 0.000 1.084 137 A CA -0.354 51.283 52.037 -0.666 0.000 0.794 137 A CB 0.452 18.521 19.000 -1.552 0.000 1.034 137 A HN 0.410 nan 8.150 nan 0.000 0.491 138 V N 1.716 121.491 119.914 -0.232 0.000 2.531 138 V HA 0.213 4.334 4.120 0.001 0.000 0.301 138 V C 1.083 177.320 176.094 0.237 0.000 1.034 138 V CA -0.191 62.165 62.300 0.093 0.000 0.865 138 V CB 1.320 33.192 31.823 0.082 0.000 0.995 138 V HN 1.157 nan 8.190 nan 0.000 0.424 139 E N 3.360 123.862 120.200 0.504 0.000 2.065 139 E HA -0.272 4.079 4.350 0.001 0.000 0.201 139 E C 1.870 178.653 176.600 0.306 0.000 1.016 139 E CA 2.488 59.217 56.400 0.548 0.000 0.818 139 E CB 0.027 30.013 29.700 0.476 0.000 0.749 139 E HN 0.809 nan 8.360 nan 0.000 0.453 140 E N -0.564 119.768 120.200 0.220 0.000 2.110 140 E HA -0.216 4.135 4.350 0.001 0.000 0.193 140 E C 1.381 178.048 176.600 0.111 0.000 0.988 140 E CA 1.429 57.925 56.400 0.160 0.000 0.804 140 E CB -0.050 29.724 29.700 0.123 0.000 0.745 140 E HN 0.336 nan 8.360 nan 0.000 0.458 141 D N -0.104 120.338 120.400 0.069 0.000 2.117 141 D HA -0.137 4.504 4.640 0.001 0.000 0.198 141 D C 2.039 178.337 176.300 -0.002 0.000 0.982 141 D CA 0.917 54.936 54.000 0.031 0.000 0.828 141 D CB -0.577 40.216 40.800 -0.012 0.000 0.967 141 D HN 0.279 nan 8.370 nan 0.000 0.464 142 C N 0.592 119.795 119.300 -0.161 0.000 2.432 142 C HA -0.065 4.395 4.460 0.001 0.000 0.277 142 C C 2.627 177.511 174.990 -0.177 0.000 1.249 142 C CA 0.314 59.049 59.018 -0.471 0.000 1.725 142 C CB -0.794 26.118 27.740 -1.380 0.000 2.028 142 C HN 0.345 nan 8.230 nan 0.000 0.477 143 R N 1.045 121.574 120.500 0.048 0.000 2.073 143 R HA -0.150 4.190 4.340 0.001 0.000 0.234 143 R C 1.703 178.153 176.300 0.251 0.000 1.134 143 R CA 2.121 58.396 56.100 0.291 0.000 0.952 143 R CB -0.408 30.081 30.300 0.316 0.000 0.850 143 R HN 0.450 nan 8.270 nan 0.000 0.433 144 D N -0.163 120.346 120.400 0.182 0.000 2.117 144 D HA -0.184 4.457 4.640 0.001 0.000 0.197 144 D C 1.564 177.967 176.300 0.172 0.000 0.987 144 D CA 1.083 55.171 54.000 0.148 0.000 0.829 144 D CB -0.353 40.511 40.800 0.105 0.000 0.961 144 D HN 0.189 nan 8.370 nan 0.000 0.460 145 F N 1.141 121.123 119.950 0.053 0.000 2.095 145 F HA -0.237 4.291 4.527 0.002 0.000 0.298 145 F C 2.490 178.355 175.800 0.109 0.000 1.104 145 F CA 1.676 59.705 58.000 0.050 0.000 1.232 145 F CB -0.103 38.896 39.000 -0.002 0.000 0.987 145 F HN 0.117 nan 8.300 nan 0.000 0.475 146 H N -1.161 118.118 119.070 0.348 0.000 2.462 146 H HA -0.121 4.436 4.556 0.001 0.000 0.292 146 H C 2.081 177.479 175.328 0.116 0.000 1.049 146 H CA 1.444 57.694 56.048 0.338 0.000 1.334 146 H CB -0.139 29.907 29.762 0.474 0.000 1.404 146 H HN 0.313 nan 8.280 nan 0.000 0.544 147 Q N 0.883 120.795 119.800 0.186 0.000 2.079 147 Q HA -0.077 4.263 4.340 0.001 0.000 0.200 147 Q C 2.433 178.439 176.000 0.010 0.000 0.974 147 Q CA 1.038 56.876 55.803 0.057 0.000 0.840 147 Q CB -0.283 28.501 28.738 0.078 0.000 0.898 147 Q HN 0.164 nan 8.270 nan 0.000 0.430 148 V N 0.574 120.498 119.914 0.016 0.000 2.343 148 V HA -0.283 3.838 4.120 0.001 0.000 0.247 148 V C 2.244 178.378 176.094 0.066 0.000 1.051 148 V CA 1.811 64.109 62.300 -0.003 0.000 1.036 148 V CB -1.266 30.503 31.823 -0.091 0.000 0.654 148 V HN 0.498 nan 8.190 nan 0.000 0.451 149 A N -0.821 122.068 122.820 0.115 0.000 1.877 149 A HA -0.317 4.004 4.320 0.001 0.000 0.216 149 A C 2.265 179.948 177.584 0.164 0.000 1.186 149 A CA 2.210 54.388 52.037 0.236 0.000 0.620 149 A CB -0.565 18.596 19.000 0.269 0.000 0.822 149 A HN 0.604 nan 8.150 nan 0.000 0.443 150 Q N -0.594 119.104 119.800 -0.170 0.000 2.050 150 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 150 Q C 1.348 177.318 176.000 -0.051 0.000 0.980 150 Q CA 1.824 57.376 55.803 -0.418 0.000 0.840 150 Q CB -0.181 28.081 28.738 -0.795 0.000 0.898 150 Q HN 0.586 nan 8.270 nan 0.000 0.424 151 D N 0.606 120.995 120.400 -0.019 0.000 2.144 151 D HA -0.168 4.473 4.640 0.001 0.000 0.199 151 D C 1.966 178.323 176.300 0.096 0.000 0.984 151 D CA 1.326 55.344 54.000 0.030 0.000 0.834 151 D CB -0.242 40.568 40.800 0.018 0.000 0.955 151 D HN 0.406 nan 8.370 nan 0.000 0.465 152 L N -1.164 120.143 121.223 0.140 0.000 2.201 152 L HA 0.010 4.351 4.340 0.001 0.000 0.212 152 L C 1.972 179.060 176.870 0.363 0.000 1.105 152 L CA 1.176 56.139 54.840 0.205 0.000 0.775 152 L CB -0.907 41.256 42.059 0.173 0.000 0.913 152 L HN -0.068 nan 8.230 nan 0.000 0.440 153 C N -0.143 119.382 119.300 0.375 0.000 2.464 153 C HA 0.044 4.505 4.460 0.001 0.000 0.278 153 C C 2.645 177.868 174.990 0.389 0.000 1.375 153 C CA 0.293 59.613 59.018 0.504 0.000 1.761 153 C CB -0.781 27.231 27.740 0.452 0.000 1.944 153 C HN 0.573 nan 8.230 nan 0.000 0.509 154 K N 1.315 121.847 120.400 0.220 0.000 2.044 154 K HA -0.173 4.148 4.320 0.001 0.000 0.210 154 K C -0.593 176.013 176.600 0.010 0.000 1.049 154 K CA 1.766 58.113 56.287 0.099 0.000 0.927 154 K CB -1.185 31.343 32.500 0.046 0.000 0.713 154 K HN 0.384 nan 8.250 nan 0.000 0.443 155 P HA -0.117 nan 4.420 nan 0.000 0.228 155 P C 0.483 177.436 177.300 -0.578 0.000 1.151 155 P CA 1.120 64.001 63.100 -0.366 0.000 0.770 155 P CB 0.066 31.433 31.700 -0.555 0.000 0.786 156 F N -1.328 118.527 119.950 -0.159 0.000 2.731 156 F HA 0.447 4.975 4.527 0.001 0.000 0.298 156 F C 1.353 176.942 175.800 -0.351 0.000 1.106 156 F CA 0.470 58.234 58.000 -0.392 0.000 1.329 156 F CB 0.337 39.051 39.000 -0.476 0.000 1.100 156 F HN -0.147 nan 8.300 nan 0.000 0.592 157 G N -0.731 108.061 108.800 -0.013 0.000 2.368 157 G HA2 0.374 4.335 3.960 0.001 0.000 0.303 157 G HA3 0.374 4.335 3.960 0.001 0.000 0.303 157 G C 0.120 175.046 174.900 0.044 0.000 1.590 157 G CA -0.453 44.655 45.100 0.012 0.000 0.938 157 G HN 0.072 nan 8.290 nan 0.000 0.675 158 A N 0.204 123.042 122.820 0.031 0.000 2.015 158 A HA 0.132 4.453 4.320 0.001 0.000 0.219 158 A C 1.755 179.373 177.584 0.057 0.000 1.163 158 A CA 2.397 54.459 52.037 0.042 0.000 0.646 158 A CB -0.174 18.842 19.000 0.027 0.000 0.806 158 A HN 1.007 nan 8.150 nan 0.000 0.448 159 D N -1.039 119.382 120.400 0.034 0.000 2.395 159 D HA 0.100 4.741 4.640 0.001 0.000 0.213 159 D C 1.281 177.546 176.300 -0.057 0.000 1.110 159 D CA 0.395 54.399 54.000 0.007 0.000 0.835 159 D CB -0.450 40.340 40.800 -0.017 0.000 0.965 159 D HN 0.169 nan 8.370 nan 0.000 0.505 160 V N 0.527 120.414 119.914 -0.045 0.000 2.307 160 V HA -0.256 3.864 4.120 0.001 0.000 0.245 160 V C 2.276 178.283 176.094 -0.145 0.000 1.045 160 V CA 1.576 63.742 62.300 -0.222 0.000 1.024 160 V CB -0.946 30.847 31.823 -0.049 0.000 0.651 160 V HN 0.212 nan 8.190 nan 0.000 0.449 161 Y N 1.595 121.907 120.300 0.019 0.000 2.128 161 Y HA -0.243 4.308 4.550 0.001 0.000 0.284 161 Y C 2.395 178.374 175.900 0.132 0.000 1.154 161 Y CA 1.630 59.812 58.100 0.136 0.000 1.149 161 Y CB -0.749 37.813 38.460 0.169 0.000 0.976 161 Y HN 0.136 nan 8.280 nan 0.000 0.505 162 A N 0.706 123.512 122.820 -0.024 0.000 1.883 162 A HA -0.241 4.080 4.320 0.001 0.000 0.217 162 A C 2.330 179.856 177.584 -0.097 0.000 1.186 162 A CA 2.119 54.096 52.037 -0.101 0.000 0.624 162 A CB -0.721 18.288 19.000 0.015 0.000 0.822 162 A HN 0.573 nan 8.150 nan 0.000 0.444 163 R N -1.705 118.726 120.500 -0.115 0.000 2.070 163 R HA -0.085 4.256 4.340 0.001 0.000 0.233 163 R C 1.786 178.226 176.300 0.234 0.000 1.137 163 R CA 1.714 57.775 56.100 -0.065 0.000 0.945 163 R CB -0.405 29.721 30.300 -0.291 0.000 0.845 163 R HN 0.544 nan 8.270 nan 0.000 0.430 164 F N 1.106 121.176 119.950 0.201 0.000 2.512 164 F HA 0.046 4.574 4.527 0.001 0.000 0.296 164 F C 2.219 178.168 175.800 0.249 0.000 1.110 164 F CA 0.371 58.570 58.000 0.333 0.000 1.446 164 F CB -0.503 38.698 39.000 0.335 0.000 1.092 164 F HN -0.096 nan 8.300 nan 0.000 0.554 165 K N 1.044 121.547 120.400 0.173 0.000 2.025 165 K HA -0.078 4.243 4.320 0.001 0.000 0.207 165 K C 2.330 179.046 176.600 0.193 0.000 1.049 165 K CA 1.410 57.739 56.287 0.070 0.000 0.933 165 K CB -0.851 31.386 32.500 -0.440 0.000 0.714 165 K HN 0.324 nan 8.250 nan 0.000 0.438 166 G N 0.713 109.598 108.800 0.142 0.000 2.440 166 G HA2 -0.272 3.688 3.960 0.001 0.000 0.218 166 G HA3 -0.272 3.688 3.960 0.001 0.000 0.218 166 G C 1.381 176.445 174.900 0.273 0.000 1.154 166 G CA 0.598 45.788 45.100 0.151 0.000 0.767 166 G HN 0.411 nan 8.290 nan 0.000 0.552 167 W N 0.684 122.092 121.300 0.180 0.000 2.358 167 W HA -0.107 4.554 4.660 0.001 0.000 0.303 167 W C 2.585 179.203 176.519 0.166 0.000 1.208 167 W CA 0.553 58.022 57.345 0.206 0.000 1.274 167 W CB -1.075 28.609 29.460 0.374 0.000 1.138 167 W HN 0.267 nan 8.180 nan 0.000 0.515 168 C N 1.010 120.610 119.300 0.500 0.000 2.413 168 C HA -0.225 4.236 4.460 0.001 0.000 0.276 168 C C 2.429 177.644 174.990 0.374 0.000 1.236 168 C CA 1.990 61.272 59.018 0.441 0.000 1.735 168 C CB -1.330 26.698 27.740 0.480 0.000 2.031 168 C HN 0.221 nan 8.230 nan 0.000 0.474 169 D N 0.211 120.792 120.400 0.302 0.000 2.144 169 D HA -0.111 4.530 4.640 0.001 0.000 0.199 169 D C 2.150 178.527 176.300 0.129 0.000 0.984 169 D CA 1.363 55.491 54.000 0.214 0.000 0.834 169 D CB -0.488 40.396 40.800 0.140 0.000 0.955 169 D HN 0.685 nan 8.370 nan 0.000 0.465 170 E N -0.699 119.573 120.200 0.120 0.000 2.072 170 E HA -0.161 4.190 4.350 0.001 0.000 0.190 170 E C 1.886 178.532 176.600 0.077 0.000 0.982 170 E CA 0.515 56.946 56.400 0.052 0.000 0.803 170 E CB -0.105 29.639 29.700 0.074 0.000 0.755 170 E HN 0.324 nan 8.360 nan 0.000 0.453 171 Y N 0.205 120.437 120.300 -0.115 0.000 2.153 171 Y HA -0.087 4.463 4.550 0.001 0.000 0.289 171 Y C 0.625 176.336 175.900 -0.315 0.000 1.127 171 Y CA 0.994 58.840 58.100 -0.423 0.000 1.131 171 Y CB 0.140 37.821 38.460 -1.299 0.000 0.995 171 Y HN -0.133 nan 8.280 nan 0.000 0.505 172 F N 1.246 121.182 119.950 -0.024 0.000 2.640 172 F HA 0.211 4.739 4.527 0.001 0.000 0.354 172 F C -0.784 174.949 175.800 -0.110 0.000 1.213 172 F CA -0.259 57.544 58.000 -0.328 0.000 1.314 172 F CB -0.628 38.189 39.000 -0.306 0.000 1.679 172 F HN -0.123 nan 8.300 nan 0.000 0.622 173 F N 1.374 121.319 119.950 -0.009 0.000 2.581 173 F HA 0.607 5.134 4.527 0.001 0.000 0.311 173 F C -0.886 174.966 175.800 0.086 0.000 1.113 173 F CA -1.710 56.304 58.000 0.024 0.000 0.935 173 F CB 1.320 40.324 39.000 0.007 0.000 1.232 173 F HN -0.035 nan 8.300 nan 0.000 0.445 174 I N 8.623 128.820 120.570 -0.621 0.000 2.310 174 I HA 0.267 4.438 4.170 0.001 0.000 0.287 174 I C -1.881 173.719 176.117 -0.862 0.000 1.073 174 I CA -1.683 59.264 61.300 -0.589 0.000 1.216 174 I CB 1.036 38.698 38.000 -0.563 0.000 1.415 174 I HN 0.463 nan 8.210 nan 0.000 0.480 175 P HA -0.204 nan 4.420 nan 0.000 0.215 175 P C 1.347 178.566 177.300 -0.135 0.000 1.153 175 P CA 1.510 64.517 63.100 -0.155 0.000 0.853 175 P CB -0.089 31.673 31.700 0.103 0.000 0.788 176 Y N -1.165 119.091 120.300 -0.073 0.000 2.571 176 Y HA 0.094 4.645 4.550 0.001 0.000 0.294 176 Y C 1.698 177.573 175.900 -0.042 0.000 1.141 176 Y CA 0.521 58.598 58.100 -0.038 0.000 1.308 176 Y CB -1.050 37.393 38.460 -0.028 0.000 1.002 176 Y HN -0.171 nan 8.280 nan 0.000 0.551 177 R N 0.393 120.658 120.500 -0.393 0.000 2.437 177 R HA 0.059 4.400 4.340 0.001 0.000 0.257 177 R C 0.089 176.262 176.300 -0.211 0.000 0.927 177 R CA 0.213 56.175 56.100 -0.230 0.000 1.078 177 R CB -0.047 30.082 30.300 -0.285 0.000 1.161 177 R HN 0.233 nan 8.270 nan 0.000 0.529 178 N N 2.529 121.064 118.700 -0.273 0.000 2.705 178 N HA -0.236 4.505 4.740 0.001 0.000 0.255 178 N C -1.274 174.118 175.510 -0.196 0.000 1.008 178 N CA 0.996 53.959 53.050 -0.145 0.000 0.742 178 N CB -0.633 37.892 38.487 0.064 0.000 0.906 178 N HN 0.488 nan 8.380 nan 0.000 0.541 179 E N -0.732 119.089 120.200 -0.632 0.000 2.291 179 E HA 0.611 4.962 4.350 0.001 0.000 0.276 179 E C -0.691 175.702 176.600 -0.345 0.000 0.896 179 E CA -0.496 55.731 56.400 -0.289 0.000 0.774 179 E CB 1.093 30.687 29.700 -0.178 0.000 1.227 179 E HN 0.392 nan 8.360 nan 0.000 0.413 180 A N 3.468 126.346 122.820 0.096 0.000 2.425 180 A HA 0.141 4.462 4.320 0.001 0.000 0.242 180 A C 1.014 178.614 177.584 0.027 0.000 1.077 180 A CA 0.104 52.263 52.037 0.204 0.000 0.781 180 A CB 0.644 19.805 19.000 0.269 0.000 1.020 180 A HN 0.905 nan 8.150 nan 0.000 0.494 181 R N 0.881 121.362 120.500 -0.031 0.000 2.090 181 R HA 0.090 4.431 4.340 0.001 0.000 0.228 181 R C 0.945 177.207 176.300 -0.063 0.000 1.110 181 R CA 1.472 57.500 56.100 -0.119 0.000 0.973 181 R CB -0.022 30.060 30.300 -0.363 0.000 0.869 181 R HN 0.916 nan 8.270 nan 0.000 0.440 182 G N -0.683 108.100 108.800 -0.029 0.000 2.753 182 G HA2 0.272 4.232 3.960 0.001 0.000 0.303 182 G HA3 0.272 4.232 3.960 0.001 0.000 0.303 182 G C -0.273 174.666 174.900 0.065 0.000 1.242 182 G CA -0.182 44.893 45.100 -0.042 0.000 0.810 182 G HN 0.149 nan 8.290 nan 0.000 0.515 183 I N -1.164 119.433 120.570 0.045 0.000 3.793 183 I HA 0.582 4.753 4.170 0.001 0.000 0.315 183 I C 1.096 177.446 176.117 0.388 0.000 1.275 183 I CA 0.159 61.587 61.300 0.214 0.000 1.214 183 I CB -0.004 38.029 38.000 0.054 0.000 1.018 183 I HN 1.521 nan 8.210 nan 0.000 0.439 184 G N -0.039 108.920 108.800 0.265 0.000 2.482 184 G HA2 0.359 4.320 3.960 0.001 0.000 0.214 184 G HA3 0.359 4.320 3.960 0.001 0.000 0.214 184 G C 0.073 175.164 174.900 0.319 0.000 1.271 184 G CA -0.346 44.980 45.100 0.377 0.000 0.944 184 G HN 1.430 nan 8.290 nan 0.000 0.568 185 G N -2.047 106.947 108.800 0.324 0.000 2.384 185 G HA2 0.498 4.459 3.960 0.001 0.000 0.113 185 G HA3 0.498 4.459 3.960 0.001 0.000 0.113 185 G C -1.157 173.837 174.900 0.156 0.000 1.224 185 G CA 0.020 45.243 45.100 0.205 0.000 1.126 185 G HN 1.530 nan 8.290 nan 0.000 0.461 186 L N 0.138 121.342 121.223 -0.032 0.000 2.362 186 L HA 0.856 5.197 4.340 0.001 0.000 0.271 186 L C -1.229 175.764 176.870 0.206 0.000 1.002 186 L CA -0.807 54.090 54.840 0.095 0.000 0.818 186 L CB 2.325 44.335 42.059 -0.082 0.000 1.298 186 L HN 0.581 nan 8.230 nan 0.000 0.420 187 F N 3.748 123.755 119.950 0.095 0.000 2.588 187 F HA 0.696 5.224 4.527 0.001 0.000 0.314 187 F C -1.392 174.105 175.800 -0.504 0.000 1.134 187 F CA -0.727 57.130 58.000 -0.239 0.000 0.961 187 F CB 1.627 40.477 39.000 -0.251 0.000 1.239 187 F HN 0.307 nan 8.300 nan 0.000 0.448 188 F N 2.879 121.968 119.950 -1.435 0.000 2.654 188 F HA 0.795 5.323 4.527 0.001 0.000 0.308 188 F C -1.880 173.053 175.800 -1.445 0.000 1.108 188 F CA -0.811 56.239 58.000 -1.584 0.000 0.957 188 F CB 1.570 39.599 39.000 -1.618 0.000 1.309 188 F HN 0.389 nan 8.300 nan 0.000 0.446 189 D N -0.160 119.656 120.400 -0.973 0.000 2.615 189 D HA 0.261 4.901 4.640 0.001 0.000 0.267 189 D C -1.035 175.233 176.300 -0.052 0.000 1.236 189 D CA 0.004 53.727 54.000 -0.462 0.000 0.839 189 D CB 1.956 42.468 40.800 -0.480 0.000 1.380 189 D HN 0.734 nan 8.370 nan 0.000 0.433 190 D N 0.325 120.647 120.400 -0.131 0.000 2.751 190 D HA -0.224 4.417 4.640 0.001 0.000 0.233 190 D C 0.091 176.402 176.300 0.020 0.000 1.149 190 D CA 0.317 54.132 54.000 -0.308 0.000 0.682 190 D CB -1.162 39.421 40.800 -0.362 0.000 1.068 190 D HN 0.145 nan 8.370 nan 0.000 0.429 191 L N 1.763 123.119 121.223 0.222 0.000 2.363 191 L HA 0.228 4.569 4.340 0.001 0.000 0.286 191 L C 0.774 177.794 176.870 0.250 0.000 1.106 191 L CA 0.203 55.152 54.840 0.181 0.000 0.859 191 L CB 0.233 42.438 42.059 0.243 0.000 1.223 191 L HN 0.125 nan 8.230 nan 0.000 0.446 192 N N 1.577 120.275 118.700 -0.003 0.000 2.162 192 N HA -0.043 4.698 4.740 0.001 0.000 0.232 192 N C 0.529 175.959 175.510 -0.135 0.000 1.361 192 N CA 0.277 53.218 53.050 -0.181 0.000 0.786 192 N CB -0.364 37.698 38.487 -0.709 0.000 1.290 192 N HN 0.675 nan 8.380 nan 0.000 0.505 193 E N -0.762 119.336 120.200 -0.171 0.000 2.216 193 E HA -0.026 4.325 4.350 0.001 0.000 0.192 193 E C -0.376 176.251 176.600 0.044 0.000 0.988 193 E CA 0.188 56.498 56.400 -0.149 0.000 0.834 193 E CB -0.052 29.473 29.700 -0.291 0.000 0.772 193 E HN 0.175 nan 8.360 nan 0.000 0.479 194 W N 2.094 123.493 121.300 0.165 0.000 2.332 194 W HA 0.395 5.055 4.660 0.001 0.000 0.351 194 W C -2.213 174.495 176.519 0.316 0.000 1.195 194 W CA -3.197 54.263 57.345 0.191 0.000 1.334 194 W CB -0.791 28.764 29.460 0.157 0.000 1.206 194 W HN -0.151 nan 8.180 nan 0.000 0.637 195 P HA -0.106 nan 4.420 nan 0.000 0.268 195 P C 0.938 178.574 177.300 0.561 0.000 1.208 195 P CA 0.095 63.490 63.100 0.492 0.000 0.777 195 P CB 0.458 32.354 31.700 0.327 0.000 0.875 196 F N 2.288 122.462 119.950 0.372 0.000 2.087 196 F HA -0.284 4.243 4.527 0.001 0.000 0.299 196 F C 1.981 177.895 175.800 0.190 0.000 1.100 196 F CA 1.867 59.922 58.000 0.092 0.000 1.226 196 F CB -0.121 38.687 39.000 -0.320 0.000 0.983 196 F HN 0.297 nan 8.300 nan 0.000 0.479 197 E N 0.458 120.872 120.200 0.357 0.000 2.110 197 E HA -0.251 4.099 4.350 0.001 0.000 0.193 197 E C 2.165 178.854 176.600 0.150 0.000 0.988 197 E CA 1.308 57.873 56.400 0.275 0.000 0.804 197 E CB -0.475 29.373 29.700 0.247 0.000 0.745 197 E HN 0.498 nan 8.360 nan 0.000 0.458 198 K N 0.419 120.928 120.400 0.182 0.000 2.057 198 K HA -0.104 4.217 4.320 0.001 0.000 0.206 198 K C 2.264 178.993 176.600 0.216 0.000 1.050 198 K CA 1.447 57.842 56.287 0.180 0.000 0.935 198 K CB -0.125 32.450 32.500 0.125 0.000 0.715 198 K HN 0.084 nan 8.250 nan 0.000 0.439 199 C N 0.592 120.047 119.300 0.258 0.000 2.413 199 C HA -0.127 4.334 4.460 0.001 0.000 0.276 199 C C 2.427 177.139 174.990 -0.463 0.000 1.248 199 C CA 0.438 59.504 59.018 0.079 0.000 1.742 199 C CB -1.146 26.704 27.740 0.183 0.000 2.017 199 C HN 0.563 nan 8.230 nan 0.000 0.481 200 F N 2.204 121.698 119.950 -0.759 0.000 2.113 200 F HA -0.070 4.458 4.527 0.001 0.000 0.297 200 F C 2.369 177.886 175.800 -0.472 0.000 1.103 200 F CA 1.638 59.166 58.000 -0.787 0.000 1.248 200 F CB -0.799 37.885 39.000 -0.527 0.000 0.999 200 F HN 0.204 nan 8.300 nan 0.000 0.475 201 E N -0.186 119.835 120.200 -0.298 0.000 2.085 201 E HA -0.263 4.087 4.350 0.001 0.000 0.194 201 E C 2.222 178.713 176.600 -0.182 0.000 0.994 201 E CA 1.341 57.603 56.400 -0.230 0.000 0.801 201 E CB -1.067 28.678 29.700 0.076 0.000 0.743 201 E HN 0.481 nan 8.360 nan 0.000 0.453 202 F N 1.708 121.355 119.950 -0.506 0.000 2.102 202 F HA -0.220 4.308 4.527 0.001 0.000 0.298 202 F C 2.354 177.842 175.800 -0.521 0.000 1.105 202 F CA 1.697 59.102 58.000 -0.991 0.000 1.239 202 F CB -0.469 37.956 39.000 -0.959 0.000 0.991 202 F HN -0.069 nan 8.300 nan 0.000 0.474 203 V N -0.927 118.677 119.914 -0.515 0.000 2.490 203 V HA -0.256 3.865 4.120 0.001 0.000 0.250 203 V C 2.011 177.945 176.094 -0.268 0.000 1.061 203 V CA 1.986 64.088 62.300 -0.330 0.000 1.064 203 V CB -1.244 30.547 31.823 -0.054 0.000 0.670 203 V HN 0.521 nan 8.190 nan 0.000 0.461 204 Q N 0.937 120.419 119.800 -0.530 0.000 2.084 204 Q HA -0.076 4.264 4.340 0.001 0.000 0.202 204 Q C 2.535 178.417 176.000 -0.197 0.000 0.978 204 Q CA 1.917 57.375 55.803 -0.574 0.000 0.844 204 Q CB -0.488 27.737 28.738 -0.854 0.000 0.898 204 Q HN 0.777 nan 8.270 nan 0.000 0.426 205 A N 0.390 123.069 122.820 -0.235 0.000 1.902 205 A HA -0.139 4.181 4.320 0.001 0.000 0.217 205 A C 2.336 179.860 177.584 -0.101 0.000 1.181 205 A CA 1.321 53.286 52.037 -0.119 0.000 0.623 205 A CB -0.668 18.301 19.000 -0.051 0.000 0.818 205 A HN 0.211 nan 8.150 nan 0.000 0.443 206 V N -0.077 119.688 119.914 -0.248 0.000 2.343 206 V HA -0.183 3.938 4.120 0.001 0.000 0.247 206 V C 2.818 179.037 176.094 0.209 0.000 1.051 206 V CA 1.965 64.256 62.300 -0.015 0.000 1.036 206 V CB -1.477 30.260 31.823 -0.144 0.000 0.654 206 V HN 0.609 nan 8.190 nan 0.000 0.451 207 G N -0.380 108.527 108.800 0.179 0.000 2.421 207 G HA2 -0.323 3.638 3.960 0.001 0.000 0.216 207 G HA3 -0.323 3.638 3.960 0.001 0.000 0.216 207 G C 1.641 176.641 174.900 0.166 0.000 1.171 207 G CA 1.128 46.365 45.100 0.228 0.000 0.775 207 G HN 0.493 nan 8.290 nan 0.000 0.543 208 K N 0.403 120.879 120.400 0.127 0.000 2.057 208 K HA -0.037 4.284 4.320 0.001 0.000 0.207 208 K C 2.617 179.214 176.600 -0.004 0.000 1.049 208 K CA 1.475 57.798 56.287 0.060 0.000 0.931 208 K CB -0.664 31.860 32.500 0.041 0.000 0.714 208 K HN 0.229 nan 8.250 nan 0.000 0.440 209 G N 0.619 109.427 108.800 0.013 0.000 2.442 209 G HA2 -0.277 3.684 3.960 0.001 0.000 0.219 209 G HA3 -0.277 3.684 3.960 0.001 0.000 0.219 209 G C 0.712 175.335 174.900 -0.462 0.000 1.141 209 G CA 0.827 45.884 45.100 -0.072 0.000 0.763 209 G HN 0.432 nan 8.290 nan 0.000 0.554 213 A N 0.065 122.661 122.820 -0.373 0.000 1.878 213 A HA -0.024 4.296 4.320 0.001 0.000 0.213 213 A C 1.939 179.462 177.584 -0.102 0.000 1.192 213 A CA 1.237 53.047 52.037 -0.379 0.000 0.619 213 A CB -0.453 17.968 19.000 -0.965 0.000 0.837 213 A HN 0.255 nan 8.150 nan 0.000 0.446 214 Y N -0.008 120.071 120.300 -0.369 0.000 2.343 214 Y HA 0.088 4.639 4.550 0.001 0.000 0.294 214 Y C 1.954 177.735 175.900 -0.197 0.000 1.122 214 Y CA 0.343 58.304 58.100 -0.232 0.000 1.173 214 Y CB 0.057 38.212 38.460 -0.509 0.000 1.077 214 Y HN 0.160 nan 8.280 nan 0.000 0.542 215 I N 1.420 121.814 120.570 -0.294 0.000 2.208 215 I HA -0.190 3.981 4.170 0.001 0.000 0.245 215 I C -0.529 175.447 176.117 -0.235 0.000 1.097 215 I CA 1.365 62.497 61.300 -0.280 0.000 1.363 215 I CB -2.531 35.370 38.000 -0.164 0.000 1.051 215 I HN 0.175 nan 8.210 nan 0.000 0.413 216 P HA -0.109 nan 4.420 nan 0.000 0.216 216 P C 2.165 179.389 177.300 -0.126 0.000 1.150 216 P CA 1.379 64.409 63.100 -0.116 0.000 0.837 216 P CB 0.026 31.681 31.700 -0.075 0.000 0.786 217 I N -1.294 119.181 120.570 -0.158 0.000 2.252 217 I HA -0.196 3.975 4.170 0.001 0.000 0.245 217 I C 2.187 178.172 176.117 -0.219 0.000 1.102 217 I CA 1.202 62.412 61.300 -0.150 0.000 1.385 217 I CB -0.739 37.195 38.000 -0.109 0.000 1.064 217 I HN -0.184 nan 8.210 nan 0.000 0.414 218 V N 1.092 120.769 119.914 -0.395 0.000 2.287 218 V HA -0.338 3.783 4.120 0.001 0.000 0.248 218 V C 2.309 178.303 176.094 -0.167 0.000 1.053 218 V CA 2.298 64.398 62.300 -0.333 0.000 1.027 218 V CB -0.963 30.600 31.823 -0.433 0.000 0.646 218 V HN 0.561 nan 8.190 nan 0.000 0.447 219 N N 0.238 118.850 118.700 -0.147 0.000 2.166 219 N HA -0.228 4.513 4.740 0.001 0.000 0.186 219 N C 2.129 177.603 175.510 -0.060 0.000 1.019 219 N CA 1.625 54.624 53.050 -0.085 0.000 0.856 219 N CB -0.061 38.380 38.487 -0.076 0.000 0.993 219 N HN 0.432 nan 8.380 nan 0.000 0.426 220 R N -0.069 120.393 120.500 -0.063 0.000 2.153 220 R HA 0.073 4.413 4.340 0.001 0.000 0.218 220 R C 1.178 177.463 176.300 -0.025 0.000 1.072 220 R CA 0.744 56.822 56.100 -0.037 0.000 0.990 220 R CB 0.242 30.522 30.300 -0.032 0.000 0.889 220 R HN 0.120 nan 8.270 nan 0.000 0.452 221 R N -0.026 120.457 120.500 -0.027 0.000 2.394 221 R HA 0.045 4.386 4.340 0.001 0.000 0.220 221 R C 1.653 177.967 176.300 0.024 0.000 0.887 221 R CA 0.396 56.500 56.100 0.005 0.000 1.034 221 R CB 0.076 30.394 30.300 0.030 0.000 1.179 221 R HN 0.275 nan 8.270 nan 0.000 0.561 222 K N 0.658 121.059 120.400 0.000 0.000 2.211 222 K HA -0.053 4.268 4.320 0.001 0.000 0.204 222 K C 0.694 177.326 176.600 0.053 0.000 1.047 222 K CA 1.366 57.664 56.287 0.018 0.000 0.935 222 K CB -0.030 32.467 32.500 -0.006 0.000 0.728 222 K HN -0.053 nan 8.250 nan 0.000 0.452 223 N N 1.013 119.735 118.700 0.037 0.000 2.230 223 N HA 0.027 4.768 4.740 0.001 0.000 0.202 223 N C -0.564 174.969 175.510 0.040 0.000 1.119 223 N CA 0.192 53.269 53.050 0.044 0.000 0.851 223 N CB 0.667 39.164 38.487 0.016 0.000 0.990 223 N HN 0.150 nan 8.380 nan 0.000 0.497 224 T N 3.795 118.369 114.554 0.033 0.000 2.902 224 T HA 0.081 4.432 4.350 0.001 0.000 0.301 224 T C -2.257 172.470 174.700 0.045 0.000 1.012 224 T CA -0.633 61.440 62.100 -0.045 0.000 1.151 224 T CB 0.897 69.650 68.868 -0.192 0.000 0.946 224 T HN 0.152 nan 8.240 nan 0.000 0.542 225 P HA 0.194 nan 4.420 nan 0.000 0.271 225 P C -1.126 176.250 177.300 0.127 0.000 1.216 225 P CA -0.206 62.901 63.100 0.011 0.000 0.776 225 P CB 0.286 31.954 31.700 -0.053 0.000 0.881 226 Y N -1.270 119.052 120.300 0.037 0.000 2.655 226 Y HA 0.761 5.312 4.550 0.001 0.000 0.336 226 Y C -0.516 175.402 175.900 0.029 0.000 1.154 226 Y CA -1.123 57.027 58.100 0.083 0.000 1.055 226 Y CB 0.813 39.357 38.460 0.139 0.000 1.295 226 Y HN 0.508 nan 8.280 nan 0.000 0.465 227 T N -2.735 111.919 114.554 0.168 0.000 2.930 227 T HA 0.295 4.646 4.350 0.001 0.000 0.290 227 T C 0.528 175.319 174.700 0.151 0.000 1.052 227 T CA -0.306 61.833 62.100 0.064 0.000 1.017 227 T CB 1.946 70.849 68.868 0.057 0.000 1.137 227 T HN 0.980 nan 8.240 nan 0.000 0.511 228 E N 0.020 120.271 120.200 0.084 0.000 2.118 228 E HA -0.251 4.099 4.350 0.001 0.000 0.195 228 E C 1.759 178.437 176.600 0.129 0.000 0.992 228 E CA 1.420 57.880 56.400 0.100 0.000 0.804 228 E CB -0.045 29.689 29.700 0.057 0.000 0.741 228 E HN 0.652 nan 8.360 nan 0.000 0.458 229 Q N 0.250 120.129 119.800 0.131 0.000 2.167 229 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 229 Q C 1.988 178.131 176.000 0.239 0.000 0.970 229 Q CA 1.411 57.315 55.803 0.168 0.000 0.855 229 Q CB 0.007 28.828 28.738 0.139 0.000 0.911 229 Q HN 0.376 nan 8.270 nan 0.000 0.438 230 Q N -0.669 119.265 119.800 0.224 0.000 2.172 230 Q HA -0.062 4.279 4.340 0.001 0.000 0.200 230 Q C 2.000 178.170 176.000 0.282 0.000 0.964 230 Q CA 1.133 57.117 55.803 0.302 0.000 0.855 230 Q CB 0.113 28.891 28.738 0.067 0.000 0.918 230 Q HN 0.218 nan 8.270 nan 0.000 0.444 231 V N 1.366 121.385 119.914 0.175 0.000 2.343 231 V HA -0.276 3.845 4.120 0.001 0.000 0.247 231 V C 2.227 178.335 176.094 0.024 0.000 1.051 231 V CA 2.087 64.417 62.300 0.050 0.000 1.036 231 V CB -0.565 31.298 31.823 0.067 0.000 0.654 231 V HN 0.437 nan 8.190 nan 0.000 0.451 232 E N -0.067 120.201 120.200 0.114 0.000 2.058 232 E HA -0.300 4.051 4.350 0.001 0.000 0.194 232 E C 2.145 178.884 176.600 0.232 0.000 0.997 232 E CA 1.892 58.371 56.400 0.131 0.000 0.801 232 E CB -0.279 29.561 29.700 0.233 0.000 0.746 232 E HN 0.542 nan 8.360 nan 0.000 0.450 233 F N 1.877 121.947 119.950 0.200 0.000 2.102 233 F HA -0.215 4.313 4.527 0.002 0.000 0.298 233 F C 2.495 178.323 175.800 0.046 0.000 1.105 233 F CA 2.197 60.340 58.000 0.238 0.000 1.239 233 F CB -0.606 38.556 39.000 0.270 0.000 0.991 233 F HN 0.085 nan 8.300 nan 0.000 0.474 234 Q N 0.314 120.009 119.800 -0.174 0.000 2.112 234 Q HA -0.278 4.062 4.340 0.001 0.000 0.206 234 Q C 2.087 177.748 176.000 -0.564 0.000 0.987 234 Q CA 2.402 57.856 55.803 -0.582 0.000 0.858 234 Q CB -0.307 28.081 28.738 -0.583 0.000 0.905 234 Q HN 0.636 nan 8.270 nan 0.000 0.420 235 E N -0.679 119.257 120.200 -0.440 0.000 2.106 235 E HA -0.146 4.204 4.350 0.001 0.000 0.192 235 E C 1.830 178.016 176.600 -0.688 0.000 0.984 235 E CA 0.916 56.998 56.400 -0.529 0.000 0.806 235 E CB -0.115 29.287 29.700 -0.497 0.000 0.750 235 E HN 0.344 nan 8.360 nan 0.000 0.458 236 F N 1.086 120.609 119.950 -0.712 0.000 2.134 236 F HA -0.138 4.390 4.527 0.002 0.000 0.299 236 F C 2.452 177.742 175.800 -0.851 0.000 1.097 236 F CA 0.993 58.364 58.000 -1.049 0.000 1.264 236 F CB -0.040 37.832 39.000 -1.881 0.000 1.001 236 F HN -0.128 nan 8.300 nan 0.000 0.479 237 R N 0.305 120.499 120.500 -0.509 0.000 2.120 237 R HA -0.076 4.265 4.340 0.001 0.000 0.234 237 R C 2.162 178.377 176.300 -0.143 0.000 1.123 237 R CA 0.994 56.927 56.100 -0.279 0.000 0.975 237 R CB -0.772 29.366 30.300 -0.269 0.000 0.866 237 R HN 0.300 nan 8.270 nan 0.000 0.446 238 R N -0.437 119.917 120.500 -0.244 0.000 2.189 238 R HA -0.034 4.307 4.340 0.001 0.000 0.223 238 R C 2.214 178.351 176.300 -0.272 0.000 1.092 238 R CA 0.952 56.933 56.100 -0.199 0.000 0.989 238 R CB -0.369 29.727 30.300 -0.340 0.000 0.876 238 R HN 0.298 nan 8.270 nan 0.000 0.457 239 G N 1.042 109.496 108.800 -0.577 0.000 2.422 239 G HA2 -0.247 3.714 3.960 0.001 0.000 0.218 239 G HA3 -0.247 3.714 3.960 0.001 0.000 0.218 239 G C 1.401 176.273 174.900 -0.046 0.000 1.146 239 G CA 0.261 44.843 45.100 -0.864 0.000 0.769 239 G HN 0.144 nan 8.290 nan 0.000 0.547 240 R N -0.656 119.850 120.500 0.010 0.000 2.081 240 R HA -0.061 4.280 4.340 0.001 0.000 0.235 240 R C 2.184 178.606 176.300 0.202 0.000 1.131 240 R CA 1.006 57.199 56.100 0.155 0.000 0.960 240 R CB -1.001 29.362 30.300 0.105 0.000 0.856 240 R HN 0.520 nan 8.270 nan 0.000 0.436 241 Y N 1.322 121.662 120.300 0.066 0.000 2.145 241 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 241 Y C 2.401 178.416 175.900 0.192 0.000 1.145 241 Y CA 1.577 59.745 58.100 0.115 0.000 1.148 241 Y CB -0.343 38.171 38.460 0.091 0.000 0.981 241 Y HN 0.106 nan 8.280 nan 0.000 0.507 242 A N 0.028 123.033 122.820 0.308 0.000 1.902 242 A HA -0.230 4.091 4.320 0.001 0.000 0.217 242 A C 2.077 179.825 177.584 0.273 0.000 1.181 242 A CA 1.964 54.179 52.037 0.297 0.000 0.623 242 A CB -0.753 18.471 19.000 0.374 0.000 0.818 242 A HN 0.604 nan 8.150 nan 0.000 0.443 243 E N -1.430 118.977 120.200 0.344 0.000 2.058 243 E HA -0.219 4.131 4.350 0.001 0.000 0.194 243 E C 1.782 178.483 176.600 0.170 0.000 0.997 243 E CA 1.478 58.047 56.400 0.282 0.000 0.801 243 E CB -0.304 29.621 29.700 0.374 0.000 0.746 243 E HN 0.706 nan 8.360 nan 0.000 0.450 244 F N 2.255 122.213 119.950 0.012 0.000 2.102 244 F HA -0.218 4.310 4.527 0.001 0.000 0.298 244 F C 1.887 177.645 175.800 -0.070 0.000 1.105 244 F CA 1.514 59.471 58.000 -0.072 0.000 1.239 244 F CB -0.100 38.804 39.000 -0.161 0.000 0.991 244 F HN -0.061 nan 8.300 nan 0.000 0.474 245 N N 0.590 119.323 118.700 0.055 0.000 2.166 245 N HA -0.139 4.602 4.740 0.001 0.000 0.186 245 N C 1.897 177.380 175.510 -0.045 0.000 1.019 245 N CA 1.656 54.715 53.050 0.016 0.000 0.856 245 N CB -0.500 38.034 38.487 0.078 0.000 0.993 245 N HN 0.370 nan 8.380 nan 0.000 0.426 246 L N -0.450 120.764 121.223 -0.014 0.000 2.249 246 L HA 0.078 4.419 4.340 0.001 0.000 0.207 246 L C 1.806 178.637 176.870 -0.064 0.000 1.090 246 L CA 0.360 55.190 54.840 -0.017 0.000 0.802 246 L CB 0.090 42.162 42.059 0.022 0.000 0.947 246 L HN -0.045 nan 8.230 nan 0.000 0.453 247 V N -0.768 119.092 119.914 -0.089 0.000 2.685 247 V HA -0.007 4.114 4.120 0.001 0.000 0.244 247 V C 1.857 177.841 176.094 -0.183 0.000 1.054 247 V CA 1.174 63.416 62.300 -0.097 0.000 1.076 247 V CB 0.529 32.349 31.823 -0.006 0.000 0.725 247 V HN 0.245 nan 8.190 nan 0.000 0.467 248 I N -0.867 119.472 120.570 -0.384 0.000 3.565 248 I HA 0.157 4.327 4.170 0.001 0.000 0.287 248 I C 0.707 176.447 176.117 -0.628 0.000 1.193 248 I CA 0.110 61.063 61.300 -0.578 0.000 1.402 248 I CB 0.273 37.719 38.000 -0.923 0.000 1.284 248 I HN 0.205 nan 8.210 nan 0.000 0.454 249 D N 1.599 121.560 120.400 -0.731 0.000 2.472 249 D HA -0.031 4.609 4.640 0.001 0.000 0.248 249 D C 1.318 177.596 176.300 -0.038 0.000 1.174 249 D CA 0.500 54.311 54.000 -0.315 0.000 0.883 249 D CB 0.759 41.531 40.800 -0.046 0.000 1.149 249 D HN 0.032 nan 8.370 nan 0.000 0.488 250 R N 2.615 123.189 120.500 0.123 0.000 2.075 250 R HA -0.022 4.319 4.340 0.001 0.000 0.232 250 R C 2.255 178.664 176.300 0.181 0.000 1.126 250 R CA 1.149 57.332 56.100 0.138 0.000 0.963 250 R CB -0.228 30.179 30.300 0.179 0.000 0.858 250 R HN 0.586 nan 8.270 nan 0.000 0.435 251 G N 0.163 109.091 108.800 0.212 0.000 2.418 251 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 251 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 251 G C 1.338 176.370 174.900 0.221 0.000 1.158 251 G CA 1.329 46.572 45.100 0.238 0.000 0.771 251 G HN 0.246 nan 8.290 nan 0.000 0.545 252 T N 0.453 115.100 114.554 0.155 0.000 2.674 252 T HA -0.091 4.260 4.350 0.001 0.000 0.265 252 T C 2.221 176.966 174.700 0.075 0.000 1.039 252 T CA 1.552 63.712 62.100 0.100 0.000 1.150 252 T CB -0.194 68.717 68.868 0.071 0.000 0.864 252 T HN 0.430 nan 8.240 nan 0.000 0.427 253 K N 0.275 120.719 120.400 0.075 0.000 2.009 253 K HA -0.170 4.151 4.320 0.001 0.000 0.210 253 K C 2.152 178.816 176.600 0.106 0.000 1.049 253 K CA 1.561 57.884 56.287 0.061 0.000 0.929 253 K CB -0.427 32.099 32.500 0.043 0.000 0.714 253 K HN 0.290 nan 8.250 nan 0.000 0.440 254 F N 1.432 121.391 119.950 0.014 0.000 2.095 254 F HA -0.068 4.460 4.527 0.001 0.000 0.298 254 F C 2.011 177.827 175.800 0.027 0.000 1.104 254 F CA 2.040 60.052 58.000 0.020 0.000 1.232 254 F CB -0.989 38.026 39.000 0.026 0.000 0.987 254 F HN 0.141 nan 8.300 nan 0.000 0.475 255 G N 0.857 109.566 108.800 -0.152 0.000 2.446 255 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 255 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 255 G C 1.783 176.565 174.900 -0.198 0.000 1.168 255 G CA 1.224 46.179 45.100 -0.241 0.000 0.771 255 G HN 0.459 nan 8.290 nan 0.000 0.551 256 L N -0.328 120.833 121.223 -0.102 0.000 2.156 256 L HA -0.021 4.320 4.340 0.001 0.000 0.208 256 L C 3.042 179.861 176.870 -0.085 0.000 1.095 256 L CA 0.766 55.559 54.840 -0.079 0.000 0.770 256 L CB -0.336 41.699 42.059 -0.040 0.000 0.914 256 L HN 0.272 nan 8.230 nan 0.000 0.439 257 Q N -0.609 119.138 119.800 -0.089 0.000 2.172 257 Q HA -0.059 4.281 4.340 0.001 0.000 0.200 257 Q C 1.665 177.605 176.000 -0.100 0.000 0.964 257 Q CA 1.222 56.986 55.803 -0.064 0.000 0.855 257 Q CB 0.188 28.921 28.738 -0.008 0.000 0.918 257 Q HN 0.364 nan 8.270 nan 0.000 0.444 258 S N -0.981 114.590 115.700 -0.214 0.000 2.572 258 S HA 0.256 4.727 4.470 0.001 0.000 0.228 258 S C 0.720 175.228 174.600 -0.153 0.000 0.963 258 S CA 0.379 58.443 58.200 -0.226 0.000 0.939 258 S CB 1.122 64.005 63.200 -0.529 0.000 0.804 258 S HN 0.566 nan 8.310 nan 0.000 0.480 259 G N 1.558 110.285 108.800 -0.122 0.000 2.137 259 G HA2 -0.165 3.796 3.960 0.001 0.000 0.237 259 G HA3 -0.165 3.796 3.960 0.001 0.000 0.237 259 G C 0.364 175.213 174.900 -0.085 0.000 1.002 259 G CA -0.299 44.754 45.100 -0.078 0.000 0.702 259 G HN 0.788 nan 8.290 nan 0.000 0.515 260 G N -0.845 107.879 108.800 -0.126 0.000 2.667 260 G HA2 0.451 4.411 3.960 0.001 0.000 0.250 260 G HA3 0.451 4.411 3.960 0.001 0.000 0.250 260 G C 0.303 175.105 174.900 -0.163 0.000 1.212 260 G CA -0.115 44.918 45.100 -0.112 0.000 0.874 260 G HN 0.614 nan 8.290 nan 0.000 0.561 261 R N -0.011 120.327 120.500 -0.270 0.000 2.242 261 R HA 0.204 4.545 4.340 0.001 0.000 0.334 261 R C 1.480 177.612 176.300 -0.280 0.000 1.071 261 R CA 0.038 55.882 56.100 -0.427 0.000 0.922 261 R CB 0.023 29.724 30.300 -0.999 0.000 1.023 261 R HN 0.531 nan 8.270 nan 0.000 0.458 262 T N 2.885 117.322 114.554 -0.195 0.000 2.665 262 T HA -0.149 4.202 4.350 0.001 0.000 0.268 262 T C 1.144 175.786 174.700 -0.096 0.000 1.035 262 T CA 1.280 63.310 62.100 -0.116 0.000 1.151 262 T CB 0.015 68.830 68.868 -0.088 0.000 0.862 262 T HN 0.591 nan 8.240 nan 0.000 0.438 263 E N 0.973 121.101 120.200 -0.121 0.000 2.208 263 E HA -0.001 4.350 4.350 0.001 0.000 0.193 263 E C 2.552 179.121 176.600 -0.053 0.000 0.988 263 E CA 0.584 56.941 56.400 -0.072 0.000 0.828 263 E CB -0.241 29.417 29.700 -0.071 0.000 0.763 263 E HN 0.397 nan 8.360 nan 0.000 0.478 264 S N 0.920 116.549 115.700 -0.119 0.000 2.371 264 S HA -0.027 4.444 4.470 0.001 0.000 0.224 264 S C 2.136 176.753 174.600 0.028 0.000 1.029 264 S CA 0.510 58.690 58.200 -0.033 0.000 0.978 264 S CB -0.089 63.060 63.200 -0.085 0.000 0.833 264 S HN 0.185 nan 8.310 nan 0.000 0.466 265 I N 1.299 121.864 120.570 -0.007 0.000 2.179 265 I HA -0.119 4.052 4.170 0.001 0.000 0.242 265 I C 1.337 177.494 176.117 0.067 0.000 1.088 265 I CA 1.209 62.531 61.300 0.037 0.000 1.357 265 I CB -0.199 37.804 38.000 0.005 0.000 1.051 265 I HN 0.194 nan 8.210 nan 0.000 0.409 266 L N 1.178 122.431 121.223 0.051 0.000 2.653 266 L HA 0.107 4.448 4.340 0.001 0.000 0.232 266 L C 2.124 179.058 176.870 0.107 0.000 1.169 266 L CA -0.103 54.784 54.840 0.078 0.000 0.951 266 L CB -0.309 41.781 42.059 0.052 0.000 1.181 266 L HN 0.323 nan 8.230 nan 0.000 0.460 267 I N -2.548 118.089 120.570 0.112 0.000 2.423 267 I HA -0.247 3.924 4.170 0.001 0.000 0.254 267 I C 2.559 178.794 176.117 0.195 0.000 1.151 267 I CA 1.595 62.980 61.300 0.141 0.000 1.421 267 I CB -0.463 37.621 38.000 0.141 0.000 1.079 267 I HN 0.312 nan 8.210 nan 0.000 0.431 268 S N 1.646 117.476 115.700 0.216 0.000 2.442 268 S HA 0.035 4.505 4.470 0.001 0.000 0.236 268 S C 1.000 175.876 174.600 0.459 0.000 1.007 268 S CA 0.210 58.599 58.200 0.316 0.000 0.965 268 S CB -0.990 62.378 63.200 0.281 0.000 0.773 268 S HN 0.488 nan 8.310 nan 0.000 0.504 269 L N 3.124 124.529 121.223 0.304 0.000 2.439 269 L HA 0.327 4.668 4.340 0.001 0.000 0.269 269 L C -2.010 174.933 176.870 0.121 0.000 1.179 269 L CA -2.153 52.833 54.840 0.243 0.000 0.828 269 L CB 0.102 42.251 42.059 0.150 0.000 1.106 269 L HN 0.114 nan 8.230 nan 0.000 0.467 270 P HA 0.114 nan 4.420 nan 0.000 0.272 270 P C -2.227 174.930 177.300 -0.239 0.000 1.230 270 P CA -1.429 61.368 63.100 -0.505 0.000 0.788 270 P CB 0.249 31.643 31.700 -0.509 0.000 0.949 271 P HA -0.055 nan 4.420 nan 0.000 0.217 271 P C 0.169 177.386 177.300 -0.138 0.000 1.150 271 P CA 1.552 64.577 63.100 -0.125 0.000 0.832 271 P CB 0.453 32.090 31.700 -0.105 0.000 0.787 272 R N -0.781 119.596 120.500 -0.206 0.000 2.604 272 R HA 0.744 5.085 4.340 0.001 0.000 0.281 272 R C -1.134 174.973 176.300 -0.321 0.000 1.020 272 R CA -0.677 55.292 56.100 -0.218 0.000 0.899 272 R CB 2.655 32.834 30.300 -0.201 0.000 1.205 272 R HN -0.035 nan 8.270 nan 0.000 0.450 273 A N 2.534 125.139 122.820 -0.359 0.000 2.475 273 A HA 0.749 5.070 4.320 0.001 0.000 0.301 273 A C -0.949 176.221 177.584 -0.690 0.000 1.059 273 A CA -0.845 50.834 52.037 -0.598 0.000 0.710 273 A CB 1.712 20.287 19.000 -0.709 0.000 1.288 273 A HN 0.682 nan 8.150 nan 0.000 0.408 274 R N 0.668 120.578 120.500 -0.983 0.000 2.740 274 R HA 0.565 4.906 4.340 0.001 0.000 0.282 274 R C -1.608 174.113 176.300 -0.967 0.000 0.969 274 R CA -0.524 54.975 56.100 -1.002 0.000 0.918 274 R CB 1.908 31.202 30.300 -1.676 0.000 1.175 274 R HN 0.744 nan 8.270 nan 0.000 0.464 275 W N 0.699 121.855 121.300 -0.240 0.000 2.883 275 W HA 0.517 5.178 4.660 0.001 0.000 0.335 275 W C -0.381 176.278 176.519 0.233 0.000 1.083 275 W CA -0.827 56.547 57.345 0.049 0.000 1.233 275 W CB 2.474 31.964 29.460 0.049 0.000 1.412 275 W HN 0.760 nan 8.180 nan 0.000 0.490 276 G N 1.724 110.889 108.800 0.608 0.000 2.591 276 G HA2 0.400 4.361 3.960 0.001 0.000 0.306 276 G HA3 0.400 4.361 3.960 0.001 0.000 0.306 276 G C -2.091 173.078 174.900 0.448 0.000 1.334 276 G CA -0.763 44.650 45.100 0.522 0.000 0.981 276 G HN 0.343 nan 8.290 nan 0.000 0.491 277 Y N 2.404 122.861 120.300 0.261 0.000 2.650 277 Y HA 0.073 4.624 4.550 0.001 0.000 0.331 277 Y C 1.197 177.210 175.900 0.187 0.000 1.165 277 Y CA 0.460 58.678 58.100 0.196 0.000 1.473 277 Y CB 0.320 38.860 38.460 0.133 0.000 1.224 277 Y HN 0.671 nan 8.280 nan 0.000 0.533 278 N N 3.343 121.758 118.700 -0.474 0.000 2.708 278 N HA -0.317 4.424 4.740 0.001 0.000 0.251 278 N C -0.913 174.544 175.510 -0.090 0.000 1.123 278 N CA 1.082 53.914 53.050 -0.364 0.000 0.739 278 N CB -1.571 36.595 38.487 -0.535 0.000 1.113 278 N HN 0.822 nan 8.380 nan 0.000 0.561 279 W N 1.777 123.018 121.300 -0.100 0.000 2.264 279 W HA 0.223 4.884 4.660 0.002 0.000 0.331 279 W C 0.287 176.730 176.519 -0.127 0.000 1.364 279 W CA 0.418 57.673 57.345 -0.149 0.000 1.253 279 W CB 0.375 29.694 29.460 -0.236 0.000 1.215 279 W HN 0.090 nan 8.180 nan 0.000 0.561 280 Q N 7.050 126.127 119.800 -1.206 0.000 2.418 280 Q HA 0.345 4.686 4.340 0.001 0.000 0.282 280 Q C -2.188 172.982 176.000 -1.383 0.000 1.044 280 Q CA -2.127 52.943 55.803 -1.222 0.000 0.813 280 Q CB 2.398 30.821 28.738 -0.526 0.000 1.428 280 Q HN 0.289 nan 8.270 nan 0.000 0.402 281 P HA 0.030 nan 4.420 nan 0.000 0.272 281 P C -0.698 176.416 177.300 -0.311 0.000 1.230 281 P CA -0.198 62.616 63.100 -0.477 0.000 0.788 281 P CB 0.676 32.259 31.700 -0.195 0.000 0.949 282 E N 2.072 122.158 120.200 -0.190 0.000 2.392 282 E HA 0.132 4.483 4.350 0.001 0.000 0.264 282 E C -1.844 174.696 176.600 -0.100 0.000 1.024 282 E CA -1.493 54.831 56.400 -0.127 0.000 0.903 282 E CB -0.507 29.150 29.700 -0.072 0.000 0.963 282 E HN 0.390 nan 8.360 nan 0.000 0.432 283 P HA 0.030 nan 4.420 nan 0.000 0.271 283 P C 0.573 177.851 177.300 -0.036 0.000 1.218 283 P CA 0.258 63.324 63.100 -0.056 0.000 0.780 283 P CB 0.568 32.239 31.700 -0.048 0.000 0.901 284 G N 1.094 109.880 108.800 -0.023 0.000 2.143 284 G HA2 -0.194 3.767 3.960 0.001 0.000 0.248 284 G HA3 -0.194 3.767 3.960 0.001 0.000 0.248 284 G C 0.254 175.151 174.900 -0.005 0.000 0.991 284 G CA 0.503 45.596 45.100 -0.011 0.000 0.689 284 G HN 0.921 nan 8.290 nan 0.000 0.522 285 T N -3.196 111.351 114.554 -0.012 0.000 2.952 285 T HA 0.712 5.063 4.350 0.001 0.000 0.286 285 T C -1.052 173.657 174.700 0.015 0.000 1.024 285 T CA -1.182 60.915 62.100 -0.005 0.000 1.029 285 T CB 2.635 71.481 68.868 -0.036 0.000 1.094 285 T HN -0.123 nan 8.240 nan 0.000 0.515 286 P HA -0.035 nan 4.420 nan 0.000 0.218 286 P C 1.136 178.436 177.300 -0.000 0.000 1.148 286 P CA 0.927 64.100 63.100 0.121 0.000 0.822 286 P CB 0.076 31.916 31.700 0.234 0.000 0.784 287 E N -0.077 119.996 120.200 -0.211 0.000 2.058 287 E HA -0.153 4.198 4.350 0.001 0.000 0.194 287 E C 2.173 178.614 176.600 -0.265 0.000 0.997 287 E CA 1.662 57.629 56.400 -0.723 0.000 0.801 287 E CB -1.169 27.943 29.700 -0.980 0.000 0.746 287 E HN 0.154 nan 8.360 nan 0.000 0.450 288 A N 0.591 123.343 122.820 -0.113 0.000 1.969 288 A HA -0.165 4.156 4.320 0.001 0.000 0.218 288 A C 2.098 179.731 177.584 0.082 0.000 1.169 288 A CA 1.545 53.575 52.037 -0.013 0.000 0.635 288 A CB -0.424 18.556 19.000 -0.033 0.000 0.810 288 A HN 0.102 nan 8.150 nan 0.000 0.445 289 R N -0.811 119.762 120.500 0.122 0.000 2.189 289 R HA -0.078 4.263 4.340 0.001 0.000 0.223 289 R C 1.896 178.446 176.300 0.416 0.000 1.092 289 R CA 1.085 57.329 56.100 0.239 0.000 0.989 289 R CB -0.385 30.071 30.300 0.259 0.000 0.876 289 R HN 0.462 nan 8.270 nan 0.000 0.457 290 L N 0.426 121.867 121.223 0.363 0.000 1.989 290 L HA -0.206 4.135 4.340 0.001 0.000 0.211 290 L C 2.124 179.191 176.870 0.329 0.000 1.071 290 L CA 2.626 57.700 54.840 0.391 0.000 0.749 290 L CB -0.799 41.424 42.059 0.273 0.000 0.890 290 L HN 0.351 nan 8.230 nan 0.000 0.431 291 T N -4.187 110.508 114.554 0.235 0.000 2.978 291 T HA -0.040 4.310 4.350 0.001 0.000 0.262 291 T C 1.665 176.453 174.700 0.147 0.000 1.063 291 T CA 0.969 63.171 62.100 0.170 0.000 1.140 291 T CB -0.435 68.508 68.868 0.126 0.000 0.886 291 T HN 0.463 nan 8.240 nan 0.000 0.470 292 E N -0.330 119.961 120.200 0.153 0.000 2.107 292 E HA -0.004 4.347 4.350 0.001 0.000 0.191 292 E C 1.579 178.277 176.600 0.164 0.000 0.982 292 E CA 0.997 57.474 56.400 0.127 0.000 0.809 292 E CB -0.030 29.732 29.700 0.102 0.000 0.756 292 E HN 0.655 nan 8.360 nan 0.000 0.459 293 Y N -1.140 119.187 120.300 0.045 0.000 2.817 293 Y HA 0.108 4.658 4.550 0.002 0.000 0.257 293 Y C 1.566 177.460 175.900 -0.010 0.000 1.055 293 Y CA 0.113 58.175 58.100 -0.063 0.000 1.319 293 Y CB -0.315 38.014 38.460 -0.219 0.000 1.481 293 Y HN -0.153 nan 8.280 nan 0.000 0.471 294 F N 0.984 120.960 119.950 0.044 0.000 2.134 294 F HA -0.147 4.380 4.527 0.001 0.000 0.299 294 F C 2.087 177.953 175.800 0.110 0.000 1.097 294 F CA 1.675 59.710 58.000 0.058 0.000 1.264 294 F CB -0.503 38.632 39.000 0.226 0.000 1.001 294 F HN 0.047 nan 8.300 nan 0.000 0.479 295 L N -0.465 120.921 121.223 0.272 0.000 2.478 295 L HA -0.070 4.271 4.340 0.001 0.000 0.223 295 L C 1.899 178.854 176.870 0.141 0.000 1.140 295 L CA 1.465 56.431 54.840 0.210 0.000 0.842 295 L CB -0.877 41.288 42.059 0.175 0.000 0.953 295 L HN 0.282 nan 8.230 nan 0.000 0.452 296 T N -5.301 109.282 114.554 0.048 0.000 3.044 296 T HA 0.035 4.385 4.350 0.001 0.000 0.260 296 T C 1.587 176.212 174.700 -0.124 0.000 1.019 296 T CA -0.291 61.807 62.100 -0.004 0.000 0.921 296 T CB 0.393 69.267 68.868 0.009 0.000 1.053 296 T HN 0.084 nan 8.240 nan 0.000 0.533 297 K N 1.795 122.036 120.400 -0.265 0.000 2.001 297 K HA 0.027 4.348 4.320 0.001 0.000 0.208 297 K C 0.744 177.093 176.600 -0.418 0.000 1.048 297 K CA 0.667 56.651 56.287 -0.505 0.000 0.932 297 K CB -0.105 31.779 32.500 -1.027 0.000 0.715 297 K HN 0.148 nan 8.250 nan 0.000 0.437 298 R N 0.279 120.599 120.500 -0.300 0.000 3.502 298 R HA -0.203 4.138 4.340 0.001 0.000 0.266 298 R C -0.817 175.326 176.300 -0.262 0.000 1.077 298 R CA 0.804 56.807 56.100 -0.162 0.000 0.718 298 R CB -1.305 28.958 30.300 -0.061 0.000 1.120 298 R HN 0.315 nan 8.270 nan 0.000 0.457 299 Q N -1.119 118.343 119.800 -0.564 0.000 2.605 299 Q HA 0.184 4.525 4.340 0.001 0.000 0.228 299 Q C -0.964 174.701 176.000 -0.557 0.000 0.805 299 Q CA -0.291 55.282 55.803 -0.383 0.000 0.894 299 Q CB 0.542 29.128 28.738 -0.252 0.000 1.469 299 Q HN 0.285 nan 8.270 nan 0.000 0.445 300 W N 3.020 124.275 121.300 -0.075 0.000 2.901 300 W HA 0.407 5.068 4.660 0.001 0.000 0.281 300 W C 0.488 177.051 176.519 0.074 0.000 1.167 300 W CA 0.417 57.749 57.345 -0.022 0.000 1.506 300 W CB 1.251 30.632 29.460 -0.132 0.000 0.985 300 W HN 0.458 nan 8.180 nan 0.000 0.590 301 V N 0.000 120.082 119.914 0.280 0.000 2.409 301 V HA 0.000 4.121 4.120 0.001 0.000 0.244 301 V CA 0.000 62.422 62.300 0.204 0.000 1.235 301 V CB 0.000 31.920 31.823 0.162 0.000 1.184 301 V HN 0.000 nan 8.190 nan 0.000 0.556