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 1re5_1_B DATA FIRST_RESID 3 DATA SEQUENCE NQLFDAYFTA PAMREIFSDR GRLQGMLDFE AALARAEASA GLVPHSAVAA DATA SEQUENCE IEAACQAERY DTGALANAIA TAGNSAIPLV KALGKVIATG VPEAERYVHL DATA SEQUENCE GATSQDAMDT GLVLQLRDAL DLIEADLGKL ADTLSQQALK HADTPLVGRT DATA SEQUENCE WLQHATPVTL GMKLAGVLGA LTRHRQRLQE LRPRLLVLQF GGASGSLAAL DATA SEQUENCE GSKAMPVAEA LAEQLKLTLP EQPWHTQRDR LVEFASVLGL VAGSLGKFGR DATA SEQUENCE DISLLMQTEA GEVFEPSAPX XXXXXXMPHK RNPVGAAVLI GAATRVPGLL DATA SEQUENCE STLFAAMPQE HERSLGLWHA EWETLPDICC LVSGALRQAQ VIAEGMEVDA DATA SEQUENCE ARMRRNLDLT QGLVLAEAVS IVLAQRLGRD RAHHLLEQCC QRAVAEQRHL DATA SEQUENCE RAVLGDEPQV SAELSGEELD RLLDPAHYLG QARVWVARAV SEHQRFTA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.541 175.510 0.052 0.000 1.280 3 N CA 0.000 53.077 53.050 0.046 0.000 0.885 3 N CB 0.000 38.533 38.487 0.077 0.000 1.341 4 Q N 0.410 120.220 119.800 0.017 0.000 2.140 4 Q HA 0.355 4.695 4.340 -0.000 0.000 0.227 4 Q C 0.529 176.511 176.000 -0.029 0.000 0.798 4 Q CA -0.302 55.514 55.803 0.022 0.000 0.987 4 Q CB 0.464 29.214 28.738 0.020 0.000 1.161 4 Q HN 0.392 nan 8.270 nan 0.000 0.480 5 L N 0.253 121.404 121.223 -0.120 0.000 1.971 5 L HA -0.132 4.207 4.340 -0.000 0.000 0.215 5 L C 1.436 178.125 176.870 -0.301 0.000 1.072 5 L CA 1.914 56.573 54.840 -0.302 0.000 0.758 5 L CB -0.208 41.508 42.059 -0.572 0.000 0.889 5 L HN 0.302 nan 8.230 nan 0.000 0.433 6 F N -1.301 118.628 119.950 -0.035 0.000 2.797 6 F HA -0.054 4.473 4.527 -0.000 0.000 0.302 6 F C 1.789 177.521 175.800 -0.113 0.000 1.130 6 F CA -0.165 57.742 58.000 -0.154 0.000 1.387 6 F CB -0.050 38.848 39.000 -0.170 0.000 1.107 6 F HN 0.109 nan 8.300 nan 0.000 0.577 7 D N 0.748 121.240 120.400 0.154 0.000 2.178 7 D HA -0.127 4.512 4.640 -0.000 0.000 0.202 7 D C 2.286 178.667 176.300 0.136 0.000 0.974 7 D CA 1.155 55.252 54.000 0.162 0.000 0.841 7 D CB 0.110 40.985 40.800 0.125 0.000 0.953 7 D HN 0.181 nan 8.370 nan 0.000 0.478 8 A N -0.669 122.209 122.820 0.097 0.000 1.929 8 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 8 A C 2.050 179.726 177.584 0.154 0.000 1.176 8 A CA 0.995 53.091 52.037 0.099 0.000 0.628 8 A CB -0.879 18.154 19.000 0.055 0.000 0.816 8 A HN 0.417 nan 8.150 nan 0.000 0.444 9 Y N -0.905 119.361 120.300 -0.057 0.000 2.286 9 Y HA 0.036 4.585 4.550 -0.000 0.000 0.293 9 Y C 1.572 177.488 175.900 0.028 0.000 1.124 9 Y CA 0.672 58.709 58.100 -0.105 0.000 1.178 9 Y CB -0.329 37.950 38.460 -0.301 0.000 1.010 9 Y HN 0.339 nan 8.280 nan 0.000 0.536 10 F N -1.068 118.930 119.950 0.080 0.000 2.714 10 F HA 0.138 4.664 4.527 -0.000 0.000 0.294 10 F C 0.523 176.319 175.800 -0.006 0.000 1.120 10 F CA 0.064 58.025 58.000 -0.065 0.000 1.398 10 F CB 0.355 39.326 39.000 -0.048 0.000 1.120 10 F HN -0.220 nan 8.300 nan 0.000 0.589 11 T N 0.254 114.943 114.554 0.225 0.000 2.908 11 T HA 0.626 4.976 4.350 -0.000 0.000 0.290 11 T C -0.484 174.297 174.700 0.134 0.000 1.034 11 T CA -0.658 61.538 62.100 0.159 0.000 1.010 11 T CB 1.971 70.933 68.868 0.156 0.000 1.068 11 T HN 0.013 nan 8.240 nan 0.000 0.481 12 A N 3.873 126.765 122.820 0.119 0.000 2.309 12 A HA 0.543 4.863 4.320 -0.000 0.000 0.290 12 A C -0.971 176.675 177.584 0.104 0.000 1.206 12 A CA -1.547 50.553 52.037 0.106 0.000 0.850 12 A CB 0.110 19.169 19.000 0.098 0.000 1.118 12 A HN 0.592 nan 8.150 nan 0.000 0.523 13 P HA -0.343 nan 4.420 nan 0.000 0.219 13 P C 1.495 178.840 177.300 0.076 0.000 1.158 13 P CA 2.605 65.752 63.100 0.079 0.000 0.895 13 P CB 0.115 31.853 31.700 0.064 0.000 0.792 14 A N -0.875 121.988 122.820 0.071 0.000 1.933 14 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 14 A C 2.400 180.028 177.584 0.073 0.000 1.175 14 A CA 2.464 54.538 52.037 0.061 0.000 0.628 14 A CB -1.344 17.691 19.000 0.058 0.000 0.814 14 A HN 0.173 nan 8.150 nan 0.000 0.444 15 M N -0.784 118.882 119.600 0.110 0.000 2.132 15 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 15 M C 2.051 178.474 176.300 0.205 0.000 1.065 15 M CA 1.899 57.302 55.300 0.171 0.000 1.122 15 M CB -0.310 32.412 32.600 0.203 0.000 1.365 15 M HN 0.364 nan 8.290 nan 0.000 0.411 16 R N -0.055 120.545 120.500 0.166 0.000 2.096 16 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 16 R C 1.990 178.362 176.300 0.119 0.000 1.127 16 R CA 1.878 58.078 56.100 0.166 0.000 0.968 16 R CB -0.474 29.902 30.300 0.127 0.000 0.861 16 R HN 0.434 nan 8.270 nan 0.000 0.440 17 E N 0.390 120.632 120.200 0.071 0.000 2.077 17 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 17 E C 1.771 178.358 176.600 -0.022 0.000 0.989 17 E CA 1.805 58.222 56.400 0.029 0.000 0.800 17 E CB -0.238 29.473 29.700 0.019 0.000 0.746 17 E HN 0.478 nan 8.360 nan 0.000 0.452 18 I N -0.601 119.921 120.570 -0.080 0.000 2.226 18 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 18 I C 0.457 176.321 176.117 -0.423 0.000 1.100 18 I CA 0.720 61.846 61.300 -0.290 0.000 1.374 18 I CB -0.101 37.633 38.000 -0.443 0.000 1.057 18 I HN 0.010 nan 8.210 nan 0.000 0.413 19 F N 1.697 121.674 119.950 0.046 0.000 2.508 19 F HA 0.213 4.740 4.527 -0.000 0.000 0.329 19 F C 0.729 176.552 175.800 0.039 0.000 1.198 19 F CA -0.508 57.518 58.000 0.043 0.000 1.268 19 F CB -0.147 38.886 39.000 0.055 0.000 1.584 19 F HN -0.067 nan 8.300 nan 0.000 0.570 20 S N -2.037 113.734 115.700 0.118 0.000 2.704 20 S HA 0.398 4.868 4.470 -0.000 0.000 0.296 20 S C 0.685 175.320 174.600 0.060 0.000 1.138 20 S CA -0.914 57.340 58.200 0.089 0.000 0.875 20 S CB 1.762 64.997 63.200 0.058 0.000 1.151 20 S HN 0.160 nan 8.310 nan 0.000 0.500 21 D N 0.616 121.045 120.400 0.048 0.000 2.123 21 D HA -0.121 4.519 4.640 -0.000 0.000 0.196 21 D C 1.906 178.216 176.300 0.017 0.000 0.992 21 D CA 1.001 55.018 54.000 0.029 0.000 0.833 21 D CB -0.241 40.576 40.800 0.028 0.000 0.954 21 D HN 0.501 nan 8.370 nan 0.000 0.455 22 R N 0.816 121.329 120.500 0.022 0.000 2.083 22 R HA -0.128 4.212 4.340 -0.000 0.000 0.237 22 R C 2.281 178.581 176.300 -0.000 0.000 1.137 22 R CA 1.760 57.871 56.100 0.019 0.000 0.951 22 R CB -0.670 29.643 30.300 0.020 0.000 0.851 22 R HN 0.202 nan 8.270 nan 0.000 0.434 23 G N 0.463 109.252 108.800 -0.017 0.000 2.408 23 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 23 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 23 G C 1.595 176.462 174.900 -0.056 0.000 1.150 23 G CA 0.672 45.738 45.100 -0.057 0.000 0.776 23 G HN 0.350 nan 8.290 nan 0.000 0.542 24 R N -0.628 119.854 120.500 -0.030 0.000 2.070 24 R HA -0.013 4.327 4.340 -0.000 0.000 0.233 24 R C 2.414 178.684 176.300 -0.049 0.000 1.137 24 R CA 1.060 57.141 56.100 -0.031 0.000 0.945 24 R CB -0.421 29.869 30.300 -0.017 0.000 0.845 24 R HN 0.253 nan 8.270 nan 0.000 0.430 25 L N 1.176 122.373 121.223 -0.043 0.000 1.989 25 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 25 L C 2.544 179.393 176.870 -0.035 0.000 1.071 25 L CA 1.838 56.644 54.840 -0.056 0.000 0.749 25 L CB -1.135 40.903 42.059 -0.034 0.000 0.890 25 L HN 0.280 nan 8.230 nan 0.000 0.431 26 Q N -0.507 119.287 119.800 -0.010 0.000 2.197 26 Q HA -0.143 4.197 4.340 -0.000 0.000 0.207 26 Q C 2.129 178.132 176.000 0.004 0.000 0.984 26 Q CA 1.819 57.626 55.803 0.006 0.000 0.869 26 Q CB -0.750 27.991 28.738 0.004 0.000 0.906 26 Q HN 0.499 nan 8.270 nan 0.000 0.426 27 G N -0.145 108.648 108.800 -0.012 0.000 2.421 27 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 27 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 27 G C 1.342 176.264 174.900 0.037 0.000 1.171 27 G CA 1.066 46.166 45.100 0.000 0.000 0.775 27 G HN 0.386 nan 8.290 nan 0.000 0.543 28 M N -0.148 119.461 119.600 0.014 0.000 2.200 28 M HA 0.150 4.630 4.480 -0.000 0.000 0.265 28 M C 2.576 178.951 176.300 0.124 0.000 1.066 28 M CA 0.804 56.138 55.300 0.056 0.000 1.127 28 M CB -0.354 32.233 32.600 -0.023 0.000 1.379 28 M HN 0.121 nan 8.290 nan 0.000 0.420 29 L N 0.101 121.352 121.223 0.046 0.000 2.046 29 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 29 L C 1.823 178.732 176.870 0.065 0.000 1.077 29 L CA 1.121 55.988 54.840 0.045 0.000 0.747 29 L CB -0.832 41.244 42.059 0.028 0.000 0.896 29 L HN 0.257 nan 8.230 nan 0.000 0.432 30 D N -0.377 120.063 120.400 0.067 0.000 2.182 30 D HA -0.226 4.414 4.640 -0.000 0.000 0.201 30 D C 1.808 178.147 176.300 0.065 0.000 0.986 30 D CA 1.107 55.138 54.000 0.053 0.000 0.847 30 D CB -0.173 40.656 40.800 0.048 0.000 0.942 30 D HN 0.241 nan 8.370 nan 0.000 0.467 31 F N 1.778 121.714 119.950 -0.022 0.000 2.113 31 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 31 F C 2.058 177.839 175.800 -0.030 0.000 1.103 31 F CA 1.177 59.158 58.000 -0.032 0.000 1.248 31 F CB -0.006 38.986 39.000 -0.014 0.000 0.999 31 F HN -0.210 nan 8.300 nan 0.000 0.475 32 E N 1.012 121.174 120.200 -0.062 0.000 2.038 32 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 32 E C 2.460 178.954 176.600 -0.177 0.000 1.000 32 E CA 1.378 57.698 56.400 -0.133 0.000 0.803 32 E CB -1.167 28.567 29.700 0.057 0.000 0.750 32 E HN 0.507 nan 8.360 nan 0.000 0.448 33 A N 1.695 124.457 122.820 -0.096 0.000 1.865 33 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 33 A C 2.475 179.973 177.584 -0.144 0.000 1.191 33 A CA 2.511 54.497 52.037 -0.084 0.000 0.623 33 A CB -0.811 18.167 19.000 -0.037 0.000 0.826 33 A HN 0.286 nan 8.150 nan 0.000 0.444 34 A N -0.636 122.077 122.820 -0.178 0.000 1.978 34 A HA -0.066 4.253 4.320 -0.000 0.000 0.220 34 A C 2.192 179.592 177.584 -0.308 0.000 1.170 34 A CA 1.493 53.407 52.037 -0.206 0.000 0.636 34 A CB -0.543 18.350 19.000 -0.179 0.000 0.810 34 A HN 0.532 nan 8.150 nan 0.000 0.448 35 L N -0.813 120.127 121.223 -0.472 0.000 1.994 35 L HA -0.188 4.151 4.340 -0.000 0.000 0.208 35 L C 2.997 179.698 176.870 -0.282 0.000 1.071 35 L CA 1.625 56.157 54.840 -0.514 0.000 0.745 35 L CB -0.677 40.967 42.059 -0.691 0.000 0.892 35 L HN 0.448 nan 8.230 nan 0.000 0.431 36 A N -0.160 122.536 122.820 -0.208 0.000 1.892 36 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 36 A C 2.355 179.847 177.584 -0.154 0.000 1.188 36 A CA 2.031 53.985 52.037 -0.138 0.000 0.631 36 A CB -0.696 18.247 19.000 -0.095 0.000 0.822 36 A HN 0.436 nan 8.150 nan 0.000 0.447 37 R N -0.738 119.675 120.500 -0.144 0.000 2.083 37 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 37 R C 2.369 178.596 176.300 -0.122 0.000 1.137 37 R CA 1.507 57.536 56.100 -0.118 0.000 0.951 37 R CB -0.374 29.870 30.300 -0.093 0.000 0.851 37 R HN 0.500 nan 8.270 nan 0.000 0.434 38 A N 0.620 123.353 122.820 -0.145 0.000 1.929 38 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 38 A C 1.790 179.309 177.584 -0.109 0.000 1.176 38 A CA 1.308 53.269 52.037 -0.128 0.000 0.628 38 A CB -0.250 18.646 19.000 -0.173 0.000 0.816 38 A HN 0.433 nan 8.150 nan 0.000 0.444 39 E N -0.191 119.936 120.200 -0.122 0.000 2.216 39 E HA 0.004 4.354 4.350 -0.000 0.000 0.192 39 E C 2.235 178.762 176.600 -0.121 0.000 0.988 39 E CA 0.636 56.984 56.400 -0.086 0.000 0.834 39 E CB -0.214 29.451 29.700 -0.058 0.000 0.772 39 E HN 0.611 nan 8.360 nan 0.000 0.479 40 A N 1.716 124.418 122.820 -0.197 0.000 1.902 40 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 40 A C 2.298 179.733 177.584 -0.247 0.000 1.181 40 A CA 1.735 53.564 52.037 -0.347 0.000 0.623 40 A CB -0.523 18.141 19.000 -0.559 0.000 0.818 40 A HN 0.299 nan 8.150 nan 0.000 0.443 41 S N -0.839 114.789 115.700 -0.119 0.000 2.603 41 S HA 0.362 4.832 4.470 -0.000 0.000 0.229 41 S C 1.260 175.853 174.600 -0.012 0.000 0.972 41 S CA 0.767 58.960 58.200 -0.011 0.000 0.935 41 S CB -0.086 63.118 63.200 0.008 0.000 0.769 41 S HN 0.866 nan 8.310 nan 0.000 0.536 42 A N 0.345 123.144 122.820 -0.035 0.000 2.431 42 A HA 0.680 5.000 4.320 -0.000 0.000 0.239 42 A C 1.461 179.037 177.584 -0.013 0.000 1.230 42 A CA 0.148 52.177 52.037 -0.013 0.000 0.928 42 A CB -0.397 18.599 19.000 -0.007 0.000 1.006 42 A HN 1.410 nan 8.150 nan 0.000 0.520 43 G N -0.704 108.075 108.800 -0.036 0.000 2.149 43 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.235 43 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.235 43 G C 0.484 175.365 174.900 -0.032 0.000 1.018 43 G CA 0.361 45.442 45.100 -0.031 0.000 0.728 43 G HN 0.337 nan 8.290 nan 0.000 0.508 44 L N -0.932 120.263 121.223 -0.047 0.000 2.609 44 L HA 0.369 4.709 4.340 -0.000 0.000 0.230 44 L C 0.875 177.730 176.870 -0.024 0.000 1.087 44 L CA 0.919 55.758 54.840 -0.001 0.000 0.874 44 L CB 0.539 42.613 42.059 0.026 0.000 1.114 44 L HN 0.171 nan 8.230 nan 0.000 0.488 45 V N 1.426 121.232 119.914 -0.180 0.000 2.709 45 V HA 0.379 4.499 4.120 -0.000 0.000 0.308 45 V C -2.346 173.454 176.094 -0.489 0.000 1.062 45 V CA -1.371 60.672 62.300 -0.429 0.000 0.901 45 V CB 2.371 33.980 31.823 -0.356 0.000 1.003 45 V HN 0.023 nan 8.190 nan 0.000 0.425 46 P HA 0.158 nan 4.420 nan 0.000 0.271 46 P C 0.595 177.722 177.300 -0.289 0.000 1.226 46 P CA 0.113 63.008 63.100 -0.341 0.000 0.765 46 P CB 0.520 32.044 31.700 -0.292 0.000 0.835 47 H N 1.963 120.949 119.070 -0.140 0.000 2.466 47 H HA -0.129 4.427 4.556 -0.000 0.000 0.297 47 H C 1.942 177.217 175.328 -0.089 0.000 1.113 47 H CA 2.237 58.224 56.048 -0.103 0.000 1.273 47 H CB -0.331 29.388 29.762 -0.072 0.000 1.371 47 H HN 0.535 nan 8.280 nan 0.000 0.528 48 S N 0.246 115.954 115.700 0.013 0.000 2.423 48 S HA 0.008 4.478 4.470 -0.000 0.000 0.231 48 S C 2.380 176.963 174.600 -0.028 0.000 1.014 48 S CA 0.612 58.810 58.200 -0.003 0.000 0.965 48 S CB -0.094 63.103 63.200 -0.004 0.000 0.785 48 S HN 0.429 nan 8.310 nan 0.000 0.495 49 A N 1.497 124.265 122.820 -0.088 0.000 1.970 49 A HA 0.233 4.553 4.320 -0.000 0.000 0.216 49 A C 2.318 179.868 177.584 -0.056 0.000 1.170 49 A CA 1.045 53.038 52.037 -0.072 0.000 0.645 49 A CB -0.904 17.993 19.000 -0.170 0.000 0.816 49 A HN 0.409 nan 8.150 nan 0.000 0.447 50 V N 0.247 120.106 119.914 -0.092 0.000 2.282 50 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 50 V C 3.037 179.116 176.094 -0.024 0.000 1.057 50 V CA 2.125 64.384 62.300 -0.068 0.000 1.032 50 V CB -1.325 30.452 31.823 -0.077 0.000 0.645 50 V HN 0.593 nan 8.190 nan 0.000 0.447 51 A N -0.174 122.641 122.820 -0.008 0.000 1.930 51 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 51 A C 2.425 180.013 177.584 0.006 0.000 1.175 51 A CA 1.992 54.031 52.037 0.002 0.000 0.627 51 A CB -0.742 18.262 19.000 0.007 0.000 0.815 51 A HN 0.580 nan 8.150 nan 0.000 0.443 52 A N 0.056 122.882 122.820 0.009 0.000 1.877 52 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 52 A C 2.129 179.730 177.584 0.028 0.000 1.186 52 A CA 1.526 53.575 52.037 0.020 0.000 0.620 52 A CB -0.600 18.417 19.000 0.028 0.000 0.822 52 A HN 0.492 nan 8.150 nan 0.000 0.443 53 I N -0.403 120.184 120.570 0.027 0.000 2.113 53 I HA -0.278 3.892 4.170 -0.000 0.000 0.238 53 I C 2.521 178.657 176.117 0.033 0.000 1.070 53 I CA 1.745 63.066 61.300 0.036 0.000 1.332 53 I CB -0.600 37.414 38.000 0.023 0.000 1.044 53 I HN 0.422 nan 8.210 nan 0.000 0.402 54 E N 0.944 121.153 120.200 0.014 0.000 2.114 54 E HA -0.283 4.067 4.350 -0.000 0.000 0.199 54 E C 2.238 178.852 176.600 0.025 0.000 1.008 54 E CA 1.460 57.868 56.400 0.013 0.000 0.810 54 E CB -0.281 29.419 29.700 0.001 0.000 0.739 54 E HN 0.559 nan 8.360 nan 0.000 0.456 55 A N 0.901 123.735 122.820 0.022 0.000 2.070 55 A HA -0.011 4.309 4.320 -0.000 0.000 0.220 55 A C 2.183 179.783 177.584 0.028 0.000 1.159 55 A CA 1.471 53.519 52.037 0.019 0.000 0.656 55 A CB -0.200 18.807 19.000 0.011 0.000 0.800 55 A HN 0.275 nan 8.150 nan 0.000 0.453 56 A N -2.088 120.763 122.820 0.053 0.000 2.267 56 A HA 0.223 4.543 4.320 -0.000 0.000 0.213 56 A C 1.061 178.754 177.584 0.181 0.000 1.192 56 A CA 0.377 52.468 52.037 0.090 0.000 0.851 56 A CB -0.521 18.547 19.000 0.114 0.000 0.881 56 A HN 0.441 nan 8.150 nan 0.000 0.494 57 C N 1.704 121.081 119.300 0.128 0.000 2.882 57 C HA 0.559 5.019 4.460 -0.000 0.000 0.492 57 C C 0.947 176.014 174.990 0.128 0.000 1.279 57 C CA 0.564 59.663 59.018 0.134 0.000 1.551 57 C CB -2.001 25.779 27.740 0.068 0.000 2.037 57 C HN 0.661 nan 8.230 nan 0.000 0.625 58 Q N -0.110 119.797 119.800 0.178 0.000 2.309 58 Q HA 0.657 4.997 4.340 -0.000 0.000 0.270 58 Q C 0.694 176.814 176.000 0.201 0.000 1.023 58 Q CA 0.186 56.062 55.803 0.123 0.000 0.758 58 Q CB 1.159 29.929 28.738 0.052 0.000 1.247 58 Q HN 0.638 nan 8.270 nan 0.000 0.455 59 A N 1.160 124.081 122.820 0.169 0.000 1.958 59 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 59 A C 1.678 179.376 177.584 0.189 0.000 1.178 59 A CA 2.301 54.462 52.037 0.207 0.000 0.642 59 A CB -0.144 18.914 19.000 0.098 0.000 0.816 59 A HN 0.893 nan 8.150 nan 0.000 0.453 60 E N -0.484 119.766 120.200 0.083 0.000 2.171 60 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 60 E C 2.259 178.837 176.600 -0.037 0.000 0.997 60 E CA 2.026 58.441 56.400 0.025 0.000 0.810 60 E CB -0.709 28.992 29.700 0.001 0.000 0.738 60 E HN 0.668 nan 8.360 nan 0.000 0.467 61 R N 0.308 120.724 120.500 -0.139 0.000 2.339 61 R HA 0.049 4.388 4.340 -0.000 0.000 0.199 61 R C 0.070 175.990 176.300 -0.633 0.000 1.018 61 R CA 0.854 56.714 56.100 -0.401 0.000 1.036 61 R CB -1.156 28.817 30.300 -0.544 0.000 0.899 61 R HN 0.233 nan 8.270 nan 0.000 0.473 62 Y N -1.435 118.864 120.300 -0.001 0.000 2.549 62 Y HA 0.455 5.005 4.550 -0.000 0.000 0.339 62 Y C -0.243 175.656 175.900 -0.003 0.000 1.053 62 Y CA -1.944 56.154 58.100 -0.003 0.000 1.105 62 Y CB 1.826 40.282 38.460 -0.005 0.000 1.258 62 Y HN 0.102 nan 8.280 nan 0.000 0.478 63 D N 0.362 120.859 120.400 0.162 0.000 2.443 63 D HA 0.192 4.832 4.640 -0.000 0.000 0.221 63 D C 0.547 176.893 176.300 0.076 0.000 1.097 63 D CA 0.008 54.060 54.000 0.086 0.000 0.865 63 D CB 1.271 42.103 40.800 0.055 0.000 1.034 63 D HN 0.605 nan 8.370 nan 0.000 0.511 64 T N 2.278 116.869 114.554 0.062 0.000 2.635 64 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 64 T C 1.871 176.589 174.700 0.030 0.000 1.040 64 T CA 1.613 63.737 62.100 0.040 0.000 1.156 64 T CB -0.426 68.463 68.868 0.035 0.000 0.863 64 T HN 0.603 nan 8.240 nan 0.000 0.430 65 G N 1.175 109.992 108.800 0.029 0.000 2.513 65 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 65 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 65 G C 1.821 176.734 174.900 0.022 0.000 1.160 65 G CA 1.216 46.330 45.100 0.023 0.000 0.767 65 G HN 0.617 nan 8.290 nan 0.000 0.571 66 A N 0.558 123.394 122.820 0.027 0.000 1.858 66 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 66 A C 2.485 180.081 177.584 0.020 0.000 1.190 66 A CA 1.459 53.512 52.037 0.026 0.000 0.617 66 A CB -0.528 18.492 19.000 0.034 0.000 0.827 66 A HN 0.355 nan 8.150 nan 0.000 0.443 67 L N -0.596 120.639 121.223 0.021 0.000 2.043 67 L HA -0.257 4.082 4.340 -0.000 0.000 0.212 67 L C 3.094 179.960 176.870 -0.005 0.000 1.075 67 L CA 1.159 55.999 54.840 0.001 0.000 0.752 67 L CB -0.596 41.456 42.059 -0.011 0.000 0.891 67 L HN 0.457 nan 8.230 nan 0.000 0.432 68 A N 0.256 123.078 122.820 0.004 0.000 1.908 68 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 68 A C 2.080 179.672 177.584 0.013 0.000 1.181 68 A CA 2.015 54.057 52.037 0.007 0.000 0.627 68 A CB -0.597 18.412 19.000 0.015 0.000 0.818 68 A HN 0.500 nan 8.150 nan 0.000 0.445 69 N N 0.240 118.949 118.700 0.014 0.000 2.244 69 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 69 N C 1.883 177.401 175.510 0.014 0.000 1.016 69 N CA 1.305 54.365 53.050 0.015 0.000 0.866 69 N CB -0.383 38.112 38.487 0.015 0.000 0.980 69 N HN 0.501 nan 8.380 nan 0.000 0.430 70 A N 1.533 124.359 122.820 0.009 0.000 1.898 70 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 70 A C 2.280 179.868 177.584 0.007 0.000 1.181 70 A CA 0.644 52.684 52.037 0.006 0.000 0.620 70 A CB -0.535 18.464 19.000 -0.002 0.000 0.819 70 A HN 0.146 nan 8.150 nan 0.000 0.442 71 I N 0.022 120.594 120.570 0.003 0.000 2.286 71 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 71 I C 2.850 178.992 176.117 0.042 0.000 1.115 71 I CA 0.978 62.284 61.300 0.010 0.000 1.392 71 I CB -0.315 37.681 38.000 -0.006 0.000 1.065 71 I HN 0.351 nan 8.210 nan 0.000 0.418 72 A N -0.031 122.812 122.820 0.038 0.000 2.076 72 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 72 A C 2.252 179.861 177.584 0.041 0.000 1.160 72 A CA 2.366 54.429 52.037 0.044 0.000 0.653 72 A CB -0.706 18.313 19.000 0.031 0.000 0.801 72 A HN 0.439 nan 8.150 nan 0.000 0.455 73 T N -1.662 112.913 114.554 0.035 0.000 3.000 73 T HA 0.362 4.712 4.350 -0.000 0.000 0.248 73 T C 2.106 176.830 174.700 0.039 0.000 1.034 73 T CA 0.596 62.715 62.100 0.032 0.000 1.060 73 T CB 0.127 69.008 68.868 0.022 0.000 0.983 73 T HN 0.492 nan 8.240 nan 0.000 0.482 74 A N 0.917 123.761 122.820 0.040 0.000 1.930 74 A HA 0.477 4.797 4.320 -0.000 0.000 0.215 74 A C 2.182 179.817 177.584 0.085 0.000 1.176 74 A CA 1.532 53.596 52.037 0.045 0.000 0.632 74 A CB -0.799 18.212 19.000 0.019 0.000 0.819 74 A HN 0.762 nan 8.150 nan 0.000 0.445 75 G N -1.093 107.779 108.800 0.119 0.000 2.213 75 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.226 75 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.226 75 G C -0.024 175.048 174.900 0.287 0.000 0.992 75 G CA 0.882 46.114 45.100 0.221 0.000 0.632 75 G HN 1.465 nan 8.290 nan 0.000 0.511 76 N N -1.586 117.183 118.700 0.114 0.000 3.106 76 N HA 0.588 5.328 4.740 -0.000 0.000 0.253 76 N C 0.845 176.243 175.510 -0.186 0.000 1.506 76 N CA 0.506 53.505 53.050 -0.085 0.000 0.876 76 N CB 0.408 38.857 38.487 -0.063 0.000 1.452 76 N HN 0.440 nan 8.380 nan 0.000 0.542 77 S N -1.808 113.675 115.700 -0.362 0.000 2.470 77 S HA 0.247 4.716 4.470 -0.000 0.000 0.222 77 S C 1.765 176.241 174.600 -0.206 0.000 1.024 77 S CA 0.415 58.449 58.200 -0.276 0.000 0.931 77 S CB -0.664 62.320 63.200 -0.360 0.000 0.791 77 S HN 0.769 nan 8.310 nan 0.000 0.513 78 A N 3.433 126.137 122.820 -0.194 0.000 1.865 78 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 78 A C 2.280 179.757 177.584 -0.178 0.000 1.191 78 A CA 1.655 53.595 52.037 -0.161 0.000 0.623 78 A CB -1.113 17.823 19.000 -0.106 0.000 0.826 78 A HN 0.816 nan 8.150 nan 0.000 0.444 79 I N -1.643 118.844 120.570 -0.138 0.000 2.208 79 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 79 I C -0.881 175.169 176.117 -0.111 0.000 1.097 79 I CA 1.778 62.999 61.300 -0.131 0.000 1.363 79 I CB -1.390 36.570 38.000 -0.066 0.000 1.051 79 I HN 0.117 nan 8.210 nan 0.000 0.413 80 P HA -0.079 nan 4.420 nan 0.000 0.221 80 P C 1.891 179.131 177.300 -0.101 0.000 1.150 80 P CA 0.939 63.995 63.100 -0.074 0.000 0.800 80 P CB -0.010 31.655 31.700 -0.057 0.000 0.787 81 L N -0.819 120.314 121.223 -0.149 0.000 2.095 81 L HA -0.057 4.283 4.340 -0.000 0.000 0.204 81 L C 2.102 178.848 176.870 -0.207 0.000 1.080 81 L CA 1.648 56.357 54.840 -0.219 0.000 0.759 81 L CB -1.087 40.823 42.059 -0.248 0.000 0.914 81 L HN -0.225 nan 8.230 nan 0.000 0.439 82 V N 0.183 119.989 119.914 -0.181 0.000 2.343 82 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 82 V C 2.681 178.724 176.094 -0.085 0.000 1.051 82 V CA 2.159 64.367 62.300 -0.154 0.000 1.036 82 V CB -0.686 30.965 31.823 -0.287 0.000 0.654 82 V HN 0.530 nan 8.190 nan 0.000 0.451 83 K N 0.150 120.503 120.400 -0.078 0.000 2.026 83 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 83 K C 2.205 178.809 176.600 0.007 0.000 1.048 83 K CA 1.575 57.844 56.287 -0.030 0.000 0.929 83 K CB -0.347 32.137 32.500 -0.028 0.000 0.713 83 K HN 0.420 nan 8.250 nan 0.000 0.439 84 A N 1.262 124.087 122.820 0.007 0.000 1.933 84 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 84 A C 2.025 179.735 177.584 0.210 0.000 1.175 84 A CA 1.359 53.457 52.037 0.101 0.000 0.628 84 A CB -0.575 18.491 19.000 0.110 0.000 0.814 84 A HN 0.413 nan 8.150 nan 0.000 0.444 85 L N 0.140 121.423 121.223 0.100 0.000 2.027 85 L HA 0.013 4.353 4.340 -0.000 0.000 0.206 85 L C 2.366 179.319 176.870 0.138 0.000 1.074 85 L CA 2.434 57.380 54.840 0.176 0.000 0.745 85 L CB -1.236 40.838 42.059 0.026 0.000 0.898 85 L HN 0.274 nan 8.230 nan 0.000 0.433 86 G N -0.748 108.097 108.800 0.075 0.000 2.446 86 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.217 86 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.217 86 G C 1.683 176.620 174.900 0.062 0.000 1.168 86 G CA 1.453 46.589 45.100 0.060 0.000 0.771 86 G HN 0.562 nan 8.290 nan 0.000 0.551 87 K N 0.114 120.553 120.400 0.065 0.000 2.362 87 K HA 0.294 4.614 4.320 -0.000 0.000 0.200 87 K C 2.408 179.039 176.600 0.052 0.000 1.046 87 K CA 1.403 57.722 56.287 0.053 0.000 0.952 87 K CB -0.545 31.985 32.500 0.050 0.000 0.753 87 K HN 0.299 nan 8.250 nan 0.000 0.466 88 V N 0.531 120.492 119.914 0.077 0.000 2.725 88 V HA 0.003 4.123 4.120 -0.000 0.000 0.247 88 V C 2.251 178.368 176.094 0.039 0.000 1.058 88 V CA 1.003 63.329 62.300 0.044 0.000 1.080 88 V CB -0.110 31.738 31.823 0.041 0.000 0.713 88 V HN 0.536 nan 8.190 nan 0.000 0.465 89 I N 0.592 121.198 120.570 0.061 0.000 2.676 89 I HA -0.110 4.060 4.170 -0.000 0.000 0.259 89 I C 2.560 178.702 176.117 0.042 0.000 1.194 89 I CA 1.056 62.389 61.300 0.054 0.000 1.473 89 I CB -0.432 37.609 38.000 0.069 0.000 1.096 89 I HN 0.273 nan 8.210 nan 0.000 0.443 90 A N 0.694 123.537 122.820 0.039 0.000 1.898 90 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 90 A C 2.374 179.971 177.584 0.022 0.000 1.181 90 A CA 2.202 54.257 52.037 0.030 0.000 0.620 90 A CB -1.004 18.012 19.000 0.026 0.000 0.819 90 A HN 0.323 nan 8.150 nan 0.000 0.442 91 T N -0.360 114.205 114.554 0.017 0.000 2.685 91 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 91 T C 1.751 176.457 174.700 0.009 0.000 1.034 91 T CA 1.828 63.934 62.100 0.009 0.000 1.149 91 T CB -0.452 68.417 68.868 0.000 0.000 0.860 91 T HN 0.607 nan 8.240 nan 0.000 0.449 92 G N 0.104 108.912 108.800 0.012 0.000 2.664 92 G HA2 0.156 4.116 3.960 -0.000 0.000 0.216 92 G HA3 0.156 4.116 3.960 -0.000 0.000 0.216 92 G C 0.340 175.251 174.900 0.019 0.000 1.243 92 G CA -0.019 45.089 45.100 0.012 0.000 0.859 92 G HN 0.403 nan 8.290 nan 0.000 0.574 93 V N 2.842 122.772 119.914 0.027 0.000 2.192 93 V HA 0.228 4.347 4.120 -0.000 0.000 0.264 93 V C -1.513 174.608 176.094 0.045 0.000 1.155 93 V CA -0.989 61.332 62.300 0.035 0.000 1.005 93 V CB 1.226 33.072 31.823 0.038 0.000 1.201 93 V HN 0.131 nan 8.190 nan 0.000 0.468 94 P HA -0.237 nan 4.420 nan 0.000 0.218 94 P C 1.486 178.813 177.300 0.046 0.000 1.154 94 P CA 1.393 64.514 63.100 0.036 0.000 0.872 94 P CB 0.241 31.956 31.700 0.026 0.000 0.790 95 E N -0.724 119.513 120.200 0.060 0.000 2.502 95 E HA 0.057 4.407 4.350 -0.000 0.000 0.194 95 E C 1.385 178.083 176.600 0.164 0.000 1.062 95 E CA 0.738 57.189 56.400 0.085 0.000 0.867 95 E CB -0.745 29.008 29.700 0.088 0.000 0.888 95 E HN 0.188 nan 8.360 nan 0.000 0.510 96 A N 1.259 124.171 122.820 0.152 0.000 2.095 96 A HA -0.022 4.298 4.320 -0.000 0.000 0.212 96 A C 2.047 179.758 177.584 0.211 0.000 1.162 96 A CA 0.636 52.814 52.037 0.236 0.000 0.753 96 A CB -0.295 18.782 19.000 0.129 0.000 0.840 96 A HN 0.279 nan 8.150 nan 0.000 0.468 97 E N 1.063 121.322 120.200 0.100 0.000 2.130 97 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 97 E C 1.993 178.594 176.600 0.001 0.000 0.998 97 E CA 1.568 58.000 56.400 0.053 0.000 0.806 97 E CB -0.152 29.565 29.700 0.028 0.000 0.738 97 E HN 0.730 nan 8.360 nan 0.000 0.459 98 R N -0.779 119.660 120.500 -0.103 0.000 2.339 98 R HA -0.108 4.232 4.340 -0.000 0.000 0.199 98 R C 0.786 176.853 176.300 -0.389 0.000 1.018 98 R CA 0.993 56.933 56.100 -0.267 0.000 1.036 98 R CB -0.211 29.855 30.300 -0.391 0.000 0.899 98 R HN 0.301 nan 8.270 nan 0.000 0.473 99 Y N 0.080 120.389 120.300 0.015 0.000 2.458 99 Y HA 0.189 4.739 4.550 -0.000 0.000 0.254 99 Y C 1.075 176.984 175.900 0.015 0.000 1.120 99 Y CA -0.438 57.666 58.100 0.006 0.000 1.282 99 Y CB 0.717 39.169 38.460 -0.014 0.000 1.109 99 Y HN -0.112 nan 8.280 nan 0.000 0.526 100 V N 1.965 121.966 119.914 0.146 0.000 2.655 100 V HA -0.019 4.101 4.120 -0.000 0.000 0.300 100 V C 0.973 177.178 176.094 0.185 0.000 1.044 100 V CA 0.275 62.653 62.300 0.131 0.000 1.095 100 V CB 0.061 31.949 31.823 0.108 0.000 0.952 100 V HN 0.731 nan 8.190 nan 0.000 0.485 101 H N 2.879 121.977 119.070 0.046 0.000 2.862 101 H HA -0.181 4.375 4.556 -0.000 0.000 0.290 101 H C -0.238 175.148 175.328 0.096 0.000 1.211 101 H CA 0.604 56.703 56.048 0.086 0.000 1.140 101 H CB -0.504 29.313 29.762 0.092 0.000 1.341 101 H HN 0.585 nan 8.280 nan 0.000 0.392 102 L N 1.099 122.351 121.223 0.049 0.000 2.500 102 L HA 0.290 4.630 4.340 -0.000 0.000 0.272 102 L C 1.487 178.374 176.870 0.028 0.000 1.149 102 L CA 1.830 56.696 54.840 0.042 0.000 0.897 102 L CB 0.214 42.320 42.059 0.077 0.000 1.178 102 L HN 0.476 nan 8.230 nan 0.000 0.473 103 G N 3.071 111.876 108.800 0.008 0.000 2.184 103 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.264 103 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.264 103 G C 0.289 175.165 174.900 -0.040 0.000 0.975 103 G CA 0.244 45.342 45.100 -0.003 0.000 0.642 103 G HN 1.211 nan 8.290 nan 0.000 0.536 104 A N -0.768 121.992 122.820 -0.101 0.000 2.320 104 A HA 0.902 5.222 4.320 -0.000 0.000 0.334 104 A C 0.262 177.744 177.584 -0.169 0.000 1.147 104 A CA 0.743 52.719 52.037 -0.102 0.000 0.820 104 A CB 1.569 20.557 19.000 -0.021 0.000 1.218 104 A HN 1.085 nan 8.150 nan 0.000 0.482 105 T N -0.353 114.200 114.554 -0.002 0.000 2.944 105 T HA 0.386 4.736 4.350 -0.000 0.000 0.284 105 T C 1.507 176.319 174.700 0.187 0.000 1.010 105 T CA 0.228 62.379 62.100 0.085 0.000 1.025 105 T CB 1.016 69.839 68.868 -0.076 0.000 1.079 105 T HN 0.572 nan 8.240 nan 0.000 0.516 106 S N 1.131 116.928 115.700 0.162 0.000 2.359 106 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 106 S C 1.948 176.577 174.600 0.047 0.000 1.039 106 S CA 1.815 60.086 58.200 0.117 0.000 1.042 106 S CB -0.466 62.786 63.200 0.087 0.000 0.915 106 S HN 0.806 nan 8.310 nan 0.000 0.439 107 Q N 0.485 120.258 119.800 -0.046 0.000 2.234 107 Q HA -0.190 4.149 4.340 -0.000 0.000 0.206 107 Q C 1.210 177.112 176.000 -0.163 0.000 0.980 107 Q CA 1.422 57.148 55.803 -0.128 0.000 0.869 107 Q CB -0.102 28.286 28.738 -0.583 0.000 0.912 107 Q HN 0.463 nan 8.270 nan 0.000 0.436 108 D N -0.022 120.291 120.400 -0.145 0.000 2.097 108 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 108 D C 1.679 177.558 176.300 -0.701 0.000 0.989 108 D CA 1.398 55.262 54.000 -0.226 0.000 0.827 108 D CB -0.221 40.591 40.800 0.020 0.000 0.966 108 D HN 0.390 nan 8.370 nan 0.000 0.456 109 A N 0.798 123.235 122.820 -0.638 0.000 1.873 109 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 109 A C 2.316 179.663 177.584 -0.396 0.000 1.186 109 A CA 1.313 52.892 52.037 -0.763 0.000 0.616 109 A CB -0.525 18.426 19.000 -0.082 0.000 0.823 109 A HN 0.119 nan 8.150 nan 0.000 0.442 110 M N -0.642 118.831 119.600 -0.213 0.000 2.067 110 M HA -0.160 4.319 4.480 -0.000 0.000 0.260 110 M C 1.719 177.965 176.300 -0.090 0.000 1.069 110 M CA 1.848 57.064 55.300 -0.139 0.000 1.117 110 M CB -0.659 31.900 32.600 -0.068 0.000 1.334 110 M HN 0.286 nan 8.290 nan 0.000 0.407 111 D N -0.070 120.282 120.400 -0.080 0.000 2.117 111 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 111 D C 1.988 178.275 176.300 -0.021 0.000 0.987 111 D CA 1.540 55.513 54.000 -0.045 0.000 0.829 111 D CB -0.417 40.217 40.800 -0.276 0.000 0.961 111 D HN 0.301 nan 8.370 nan 0.000 0.460 112 T N -0.292 114.177 114.554 -0.142 0.000 2.821 112 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 112 T C 1.939 176.629 174.700 -0.016 0.000 1.046 112 T CA 1.363 63.424 62.100 -0.064 0.000 1.139 112 T CB -0.554 68.201 68.868 -0.190 0.000 0.871 112 T HN 0.246 nan 8.240 nan 0.000 0.454 113 G N 1.403 110.161 108.800 -0.070 0.000 2.418 113 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 113 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 113 G C 1.498 176.400 174.900 0.004 0.000 1.158 113 G CA 0.378 45.467 45.100 -0.019 0.000 0.771 113 G HN 0.431 nan 8.290 nan 0.000 0.545 114 L N 0.631 121.869 121.223 0.025 0.000 2.017 114 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 114 L C 2.969 179.892 176.870 0.089 0.000 1.073 114 L CA 1.351 56.243 54.840 0.087 0.000 0.745 114 L CB -0.395 41.745 42.059 0.136 0.000 0.894 114 L HN 0.151 nan 8.230 nan 0.000 0.432 115 V N 0.592 120.566 119.914 0.100 0.000 2.324 115 V HA -0.355 3.765 4.120 -0.000 0.000 0.250 115 V C 2.588 178.692 176.094 0.017 0.000 1.060 115 V CA 1.935 64.278 62.300 0.072 0.000 1.042 115 V CB -0.496 31.404 31.823 0.129 0.000 0.650 115 V HN 0.429 nan 8.190 nan 0.000 0.450 116 L N -0.652 120.583 121.223 0.021 0.000 2.046 116 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 116 L C 2.719 179.563 176.870 -0.043 0.000 1.077 116 L CA 1.768 56.606 54.840 -0.004 0.000 0.747 116 L CB -0.631 41.433 42.059 0.008 0.000 0.896 116 L HN 0.401 nan 8.230 nan 0.000 0.432 117 Q N -0.181 119.583 119.800 -0.060 0.000 2.079 117 Q HA -0.173 4.167 4.340 -0.000 0.000 0.200 117 Q C 2.374 178.305 176.000 -0.114 0.000 0.974 117 Q CA 1.180 56.885 55.803 -0.164 0.000 0.840 117 Q CB -0.141 28.451 28.738 -0.243 0.000 0.898 117 Q HN 0.519 nan 8.270 nan 0.000 0.430 118 L N 0.469 121.688 121.223 -0.007 0.000 2.083 118 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 118 L C 2.709 179.513 176.870 -0.110 0.000 1.083 118 L CA 1.062 55.882 54.840 -0.033 0.000 0.752 118 L CB -0.492 41.447 42.059 -0.199 0.000 0.899 118 L HN 0.239 nan 8.230 nan 0.000 0.433 119 R N 0.391 120.836 120.500 -0.092 0.000 2.081 119 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 119 R C 1.710 177.992 176.300 -0.029 0.000 1.131 119 R CA 1.899 57.958 56.100 -0.067 0.000 0.960 119 R CB -0.149 30.123 30.300 -0.046 0.000 0.856 119 R HN 0.311 nan 8.270 nan 0.000 0.436 120 D N 0.332 120.708 120.400 -0.040 0.000 2.144 120 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 120 D C 1.713 178.019 176.300 0.010 0.000 0.984 120 D CA 1.451 55.434 54.000 -0.029 0.000 0.834 120 D CB -0.195 40.562 40.800 -0.072 0.000 0.955 120 D HN 0.364 nan 8.370 nan 0.000 0.465 121 A N 0.830 123.670 122.820 0.033 0.000 1.873 121 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 121 A C 2.282 179.985 177.584 0.197 0.000 1.186 121 A CA 0.747 52.883 52.037 0.165 0.000 0.616 121 A CB -0.875 18.340 19.000 0.358 0.000 0.823 121 A HN 0.250 nan 8.150 nan 0.000 0.442 122 L N -0.393 120.928 121.223 0.163 0.000 2.043 122 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 122 L C 1.984 178.934 176.870 0.135 0.000 1.075 122 L CA 2.175 57.125 54.840 0.185 0.000 0.752 122 L CB -0.553 41.544 42.059 0.062 0.000 0.891 122 L HN 0.376 nan 8.230 nan 0.000 0.432 123 D N -0.306 120.145 120.400 0.085 0.000 2.149 123 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 123 D C 2.322 178.671 176.300 0.080 0.000 0.990 123 D CA 1.090 55.133 54.000 0.070 0.000 0.839 123 D CB -0.114 40.712 40.800 0.043 0.000 0.948 123 D HN 0.337 nan 8.370 nan 0.000 0.460 124 L N 0.295 121.571 121.223 0.089 0.000 2.005 124 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 124 L C 2.543 179.471 176.870 0.098 0.000 1.072 124 L CA 0.740 55.633 54.840 0.088 0.000 0.744 124 L CB -0.334 41.781 42.059 0.095 0.000 0.895 124 L HN 0.022 nan 8.230 nan 0.000 0.433 125 I N -0.168 120.474 120.570 0.121 0.000 2.264 125 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 125 I C 2.419 178.596 176.117 0.101 0.000 1.111 125 I CA 1.387 62.754 61.300 0.112 0.000 1.382 125 I CB -0.255 37.827 38.000 0.136 0.000 1.060 125 I HN 0.337 nan 8.210 nan 0.000 0.418 126 E N 0.733 121.000 120.200 0.111 0.000 2.107 126 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 126 E C 2.354 179.013 176.600 0.098 0.000 0.982 126 E CA 1.090 57.556 56.400 0.110 0.000 0.809 126 E CB -0.103 29.669 29.700 0.121 0.000 0.756 126 E HN 0.519 nan 8.360 nan 0.000 0.459 127 A N 2.053 124.924 122.820 0.086 0.000 1.841 127 A HA -0.217 4.103 4.320 -0.000 0.000 0.214 127 A C 1.778 179.405 177.584 0.072 0.000 1.195 127 A CA 1.747 53.830 52.037 0.076 0.000 0.611 127 A CB -0.466 18.574 19.000 0.066 0.000 0.835 127 A HN 0.066 nan 8.150 nan 0.000 0.443 128 D N 0.092 120.533 120.400 0.069 0.000 2.104 128 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 128 D C 1.962 178.293 176.300 0.051 0.000 0.994 128 D CA 1.085 55.120 54.000 0.060 0.000 0.830 128 D CB -0.426 40.411 40.800 0.062 0.000 0.959 128 D HN 0.420 nan 8.370 nan 0.000 0.452 129 L N 0.502 121.757 121.223 0.053 0.000 2.012 129 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 129 L C 2.578 179.471 176.870 0.039 0.000 1.073 129 L CA 1.575 56.436 54.840 0.035 0.000 0.748 129 L CB -0.766 41.315 42.059 0.037 0.000 0.891 129 L HN 0.118 nan 8.230 nan 0.000 0.431 130 G N -0.367 108.479 108.800 0.075 0.000 2.440 130 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 130 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 130 G C 1.668 176.629 174.900 0.102 0.000 1.154 130 G CA 0.935 46.103 45.100 0.115 0.000 0.767 130 G HN 0.300 nan 8.290 nan 0.000 0.552 131 K N -0.259 120.185 120.400 0.072 0.000 2.026 131 K HA -0.036 4.284 4.320 -0.000 0.000 0.208 131 K C 2.431 179.049 176.600 0.031 0.000 1.048 131 K CA 1.258 57.580 56.287 0.058 0.000 0.929 131 K CB -0.294 32.237 32.500 0.053 0.000 0.713 131 K HN 0.240 nan 8.250 nan 0.000 0.439 132 L N 1.100 122.330 121.223 0.012 0.000 2.083 132 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 132 L C 2.197 179.014 176.870 -0.087 0.000 1.083 132 L CA 2.078 56.900 54.840 -0.031 0.000 0.752 132 L CB -0.683 41.354 42.059 -0.036 0.000 0.899 132 L HN 0.251 nan 8.230 nan 0.000 0.433 133 A N -0.931 121.838 122.820 -0.084 0.000 1.933 133 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 133 A C 2.012 179.404 177.584 -0.320 0.000 1.175 133 A CA 1.772 53.684 52.037 -0.207 0.000 0.628 133 A CB -0.776 18.164 19.000 -0.100 0.000 0.814 133 A HN 0.521 nan 8.150 nan 0.000 0.444 134 D N -0.678 119.678 120.400 -0.074 0.000 2.078 134 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 134 D C 2.334 178.607 176.300 -0.045 0.000 0.990 134 D CA 2.348 56.356 54.000 0.012 0.000 0.827 134 D CB -0.699 40.168 40.800 0.111 0.000 0.975 134 D HN 0.536 nan 8.370 nan 0.000 0.451 135 T N -0.390 114.146 114.554 -0.030 0.000 2.867 135 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 135 T C 1.993 176.663 174.700 -0.050 0.000 1.057 135 T CA 0.609 62.699 62.100 -0.018 0.000 1.136 135 T CB -0.280 68.593 68.868 0.007 0.000 0.874 135 T HN -0.053 nan 8.240 nan 0.000 0.466 136 L N 1.513 122.668 121.223 -0.113 0.000 2.141 136 L HA 0.136 4.476 4.340 -0.000 0.000 0.209 136 L C 2.935 179.724 176.870 -0.135 0.000 1.094 136 L CA 1.725 56.477 54.840 -0.146 0.000 0.763 136 L CB -1.206 40.711 42.059 -0.237 0.000 0.908 136 L HN 0.438 nan 8.230 nan 0.000 0.437 137 S N -1.234 114.352 115.700 -0.190 0.000 2.368 137 S HA -0.237 4.232 4.470 -0.000 0.000 0.225 137 S C 1.908 176.479 174.600 -0.048 0.000 1.030 137 S CA 1.509 59.610 58.200 -0.166 0.000 0.999 137 S CB -0.061 62.984 63.200 -0.258 0.000 0.844 137 S HN 0.602 nan 8.310 nan 0.000 0.459 138 Q N 0.020 119.807 119.800 -0.021 0.000 2.046 138 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 138 Q C 2.582 178.598 176.000 0.027 0.000 0.975 138 Q CA 1.270 57.079 55.803 0.010 0.000 0.836 138 Q CB -0.308 28.442 28.738 0.020 0.000 0.896 138 Q HN 0.534 nan 8.270 nan 0.000 0.428 139 Q N 0.455 120.283 119.800 0.048 0.000 2.112 139 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 139 Q C 2.157 178.244 176.000 0.144 0.000 0.987 139 Q CA 1.612 57.493 55.803 0.130 0.000 0.858 139 Q CB -0.487 28.320 28.738 0.114 0.000 0.905 139 Q HN 0.404 nan 8.270 nan 0.000 0.420 140 A N 0.979 123.834 122.820 0.059 0.000 1.865 140 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 140 A C 2.303 179.922 177.584 0.059 0.000 1.191 140 A CA 1.368 53.437 52.037 0.053 0.000 0.623 140 A CB -0.829 18.174 19.000 0.004 0.000 0.826 140 A HN 0.310 nan 8.150 nan 0.000 0.444 141 L N -0.750 120.492 121.223 0.032 0.000 2.017 141 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 141 L C 2.663 179.526 176.870 -0.011 0.000 1.073 141 L CA 1.982 56.831 54.840 0.015 0.000 0.745 141 L CB -0.440 41.624 42.059 0.009 0.000 0.894 141 L HN 0.504 nan 8.230 nan 0.000 0.432 142 K N -0.189 120.189 120.400 -0.036 0.000 2.113 142 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 142 K C 0.879 177.297 176.600 -0.304 0.000 1.047 142 K CA 1.735 57.918 56.287 -0.173 0.000 0.928 142 K CB -0.044 32.325 32.500 -0.217 0.000 0.716 142 K HN 0.440 nan 8.250 nan 0.000 0.446 143 H N -1.254 117.824 119.070 0.012 0.000 2.469 143 H HA 0.316 4.872 4.556 -0.000 0.000 0.286 143 H C 0.846 176.179 175.328 0.008 0.000 1.106 143 H CA 0.208 56.263 56.048 0.012 0.000 1.055 143 H CB 0.997 30.771 29.762 0.019 0.000 1.618 143 H HN 0.288 nan 8.280 nan 0.000 0.559 144 A N 0.728 123.587 122.820 0.066 0.000 2.076 144 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 144 A C 0.941 178.542 177.584 0.028 0.000 1.160 144 A CA 1.925 53.988 52.037 0.043 0.000 0.653 144 A CB -0.073 18.937 19.000 0.016 0.000 0.801 144 A HN 0.547 nan 8.150 nan 0.000 0.455 145 D N -2.318 118.096 120.400 0.023 0.000 2.620 145 D HA 0.130 4.770 4.640 -0.000 0.000 0.260 145 D C 0.324 176.634 176.300 0.017 0.000 1.367 145 D CA 0.323 54.326 54.000 0.005 0.000 0.805 145 D CB -0.995 39.791 40.800 -0.022 0.000 1.096 145 D HN 0.143 nan 8.370 nan 0.000 0.488 146 T N 0.797 115.387 114.554 0.059 0.000 2.729 146 T HA 0.380 4.730 4.350 -0.000 0.000 0.296 146 T C -2.558 172.167 174.700 0.042 0.000 0.928 146 T CA -1.642 60.498 62.100 0.066 0.000 1.045 146 T CB 1.184 70.139 68.868 0.145 0.000 0.902 146 T HN -0.109 nan 8.240 nan 0.000 0.500 147 P HA 0.389 nan 4.420 nan 0.000 0.280 147 P C -0.587 176.717 177.300 0.006 0.000 1.244 147 P CA -0.615 62.491 63.100 0.011 0.000 0.784 147 P CB 0.964 32.666 31.700 0.005 0.000 0.913 148 L N 1.384 122.604 121.223 -0.006 0.000 2.376 148 L HA 0.665 5.005 4.340 -0.000 0.000 0.258 148 L C -0.405 176.436 176.870 -0.049 0.000 1.013 148 L CA -1.498 53.325 54.840 -0.029 0.000 0.822 148 L CB 1.723 43.761 42.059 -0.036 0.000 1.388 148 L HN 0.077 nan 8.230 nan 0.000 0.413 149 V N 1.284 121.133 119.914 -0.107 0.000 2.811 149 V HA 0.500 4.620 4.120 -0.000 0.000 0.302 149 V C 0.929 176.942 176.094 -0.136 0.000 1.063 149 V CA 0.664 62.862 62.300 -0.169 0.000 1.088 149 V CB 1.293 32.854 31.823 -0.436 0.000 0.982 149 V HN 0.985 nan 8.190 nan 0.000 0.485 150 G N 5.605 114.358 108.800 -0.079 0.000 2.444 150 G HA2 0.509 4.469 3.960 -0.000 0.000 0.268 150 G HA3 0.509 4.469 3.960 -0.000 0.000 0.268 150 G C -0.500 174.386 174.900 -0.023 0.000 1.203 150 G CA -0.622 44.464 45.100 -0.023 0.000 0.835 150 G HN 0.809 nan 8.290 nan 0.000 0.543 151 R N 0.799 121.312 120.500 0.020 0.000 2.451 151 R HA 0.409 4.749 4.340 -0.000 0.000 0.307 151 R C -0.992 175.371 176.300 0.106 0.000 0.965 151 R CA -0.517 55.624 56.100 0.068 0.000 0.865 151 R CB 2.043 32.377 30.300 0.057 0.000 1.174 151 R HN 0.457 nan 8.270 nan 0.000 0.455 152 T N 2.344 116.994 114.554 0.160 0.000 2.786 152 T HA 0.177 4.527 4.350 -0.000 0.000 0.283 152 T C -0.528 174.406 174.700 0.390 0.000 0.992 152 T CA -0.376 61.876 62.100 0.253 0.000 0.954 152 T CB 0.441 69.450 68.868 0.234 0.000 0.934 152 T HN 0.660 nan 8.240 nan 0.000 0.440 153 W N 3.680 124.991 121.300 0.018 0.000 5.271 153 W HA -0.241 4.419 4.660 -0.000 0.000 0.364 153 W C 0.760 177.290 176.519 0.019 0.000 1.342 153 W CA 0.034 57.387 57.345 0.014 0.000 0.899 153 W CB -2.496 26.971 29.460 0.013 0.000 2.450 153 W HN 0.778 nan 8.180 nan 0.000 1.508 154 L N -2.973 118.371 121.223 0.201 0.000 4.696 154 L HA -0.345 3.995 4.340 -0.000 0.000 0.425 154 L C 1.098 178.060 176.870 0.154 0.000 1.115 154 L CA 1.179 56.103 54.840 0.142 0.000 0.996 154 L CB -1.249 40.873 42.059 0.105 0.000 2.077 154 L HN 0.168 nan 8.230 nan 0.000 0.792 155 Q N -0.524 119.383 119.800 0.179 0.000 2.266 155 Q HA 0.437 4.777 4.340 -0.000 0.000 0.261 155 Q C -0.086 176.052 176.000 0.230 0.000 0.985 155 Q CA -0.753 55.142 55.803 0.153 0.000 0.873 155 Q CB 1.310 30.102 28.738 0.090 0.000 1.306 155 Q HN 0.042 nan 8.270 nan 0.000 0.447 156 H N 0.508 119.596 119.070 0.030 0.000 2.928 156 H HA 0.378 4.934 4.556 -0.000 0.000 0.338 156 H C -0.316 175.032 175.328 0.034 0.000 1.047 156 H CA 0.323 56.388 56.048 0.029 0.000 1.435 156 H CB 0.520 30.291 29.762 0.015 0.000 1.428 156 H HN 0.686 nan 8.280 nan 0.000 0.590 157 A N 1.815 124.694 122.820 0.098 0.000 2.524 157 A HA 0.569 4.889 4.320 -0.000 0.000 0.286 157 A C -0.037 177.589 177.584 0.069 0.000 1.203 157 A CA -0.393 51.694 52.037 0.083 0.000 0.736 157 A CB 0.267 19.318 19.000 0.085 0.000 1.322 157 A HN 0.736 nan 8.150 nan 0.000 0.424 158 T N -0.137 114.478 114.554 0.102 0.000 2.906 158 T HA 0.349 4.699 4.350 -0.000 0.000 0.329 158 T C -2.319 172.439 174.700 0.097 0.000 1.091 158 T CA -0.331 61.857 62.100 0.146 0.000 1.127 158 T CB -0.659 68.336 68.868 0.212 0.000 1.035 158 T HN 0.360 nan 8.240 nan 0.000 0.547 159 P HA 0.349 nan 4.420 nan 0.000 0.269 159 P C -0.540 176.780 177.300 0.034 0.000 1.211 159 P CA -0.390 62.748 63.100 0.063 0.000 0.781 159 P CB 0.446 32.204 31.700 0.097 0.000 0.877 160 V N 0.393 120.318 119.914 0.019 0.000 3.202 160 V HA 0.530 4.650 4.120 -0.000 0.000 0.306 160 V C -0.401 175.704 176.094 0.019 0.000 1.283 160 V CA -0.403 61.912 62.300 0.025 0.000 1.065 160 V CB 2.672 34.513 31.823 0.029 0.000 1.079 160 V HN 0.471 nan 8.190 nan 0.000 0.448 161 T N 0.589 115.161 114.554 0.031 0.000 2.887 161 T HA 0.410 4.760 4.350 -0.000 0.000 0.288 161 T C 0.378 175.101 174.700 0.038 0.000 1.021 161 T CA -0.238 61.880 62.100 0.031 0.000 1.000 161 T CB 1.448 70.334 68.868 0.030 0.000 1.034 161 T HN 0.571 nan 8.240 nan 0.000 0.467 162 L N 4.353 125.597 121.223 0.036 0.000 2.046 162 L HA 0.176 4.515 4.340 -0.000 0.000 0.208 162 L C 2.368 179.266 176.870 0.047 0.000 1.077 162 L CA 2.654 57.505 54.840 0.017 0.000 0.747 162 L CB -1.024 41.011 42.059 -0.039 0.000 0.896 162 L HN 0.837 nan 8.230 nan 0.000 0.432 163 G N -0.863 107.989 108.800 0.088 0.000 2.442 163 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 163 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 163 G C 1.641 176.584 174.900 0.071 0.000 1.141 163 G CA 0.988 46.142 45.100 0.089 0.000 0.763 163 G HN 0.439 nan 8.290 nan 0.000 0.554 164 M N 0.106 119.754 119.600 0.080 0.000 2.065 164 M HA -0.081 4.399 4.480 -0.000 0.000 0.259 164 M C 2.649 178.994 176.300 0.074 0.000 1.069 164 M CA 1.746 57.113 55.300 0.113 0.000 1.110 164 M CB -0.201 32.483 32.600 0.141 0.000 1.328 164 M HN 0.171 nan 8.290 nan 0.000 0.405 165 K N 0.245 120.678 120.400 0.054 0.000 2.009 165 K HA -0.175 4.145 4.320 -0.000 0.000 0.210 165 K C 1.861 178.476 176.600 0.026 0.000 1.049 165 K CA 1.540 57.850 56.287 0.039 0.000 0.929 165 K CB -0.511 32.012 32.500 0.039 0.000 0.714 165 K HN 0.393 nan 8.250 nan 0.000 0.440 166 L N 0.601 121.840 121.223 0.026 0.000 2.131 166 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 166 L C 2.569 179.401 176.870 -0.062 0.000 1.092 166 L CA 0.872 55.701 54.840 -0.019 0.000 0.759 166 L CB -0.621 41.436 42.059 -0.004 0.000 0.903 166 L HN 0.250 nan 8.230 nan 0.000 0.435 167 A N 0.390 123.198 122.820 -0.021 0.000 1.972 167 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 167 A C 2.411 179.957 177.584 -0.064 0.000 1.169 167 A CA 1.582 53.601 52.037 -0.029 0.000 0.635 167 A CB -1.023 17.998 19.000 0.035 0.000 0.810 167 A HN 0.436 nan 8.150 nan 0.000 0.446 168 G N -0.520 108.245 108.800 -0.058 0.000 2.408 168 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.217 168 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.217 168 G C 1.463 176.293 174.900 -0.117 0.000 1.150 168 G CA 1.227 46.275 45.100 -0.087 0.000 0.776 168 G HN 0.324 nan 8.290 nan 0.000 0.542 169 V N 0.802 120.638 119.914 -0.130 0.000 2.358 169 V HA -0.110 4.009 4.120 -0.000 0.000 0.246 169 V C 2.641 178.599 176.094 -0.227 0.000 1.047 169 V CA 1.480 63.666 62.300 -0.191 0.000 1.035 169 V CB -0.506 31.130 31.823 -0.313 0.000 0.658 169 V HN 0.350 nan 8.190 nan 0.000 0.452 170 L N 1.764 122.859 121.223 -0.213 0.000 2.012 170 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 170 L C 2.379 179.130 176.870 -0.198 0.000 1.073 170 L CA 2.549 57.258 54.840 -0.217 0.000 0.748 170 L CB -1.439 40.504 42.059 -0.192 0.000 0.891 170 L HN 0.267 nan 8.230 nan 0.000 0.431 171 G N -1.006 107.695 108.800 -0.164 0.000 2.476 171 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 171 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 171 G C 1.605 176.367 174.900 -0.230 0.000 1.164 171 G CA 1.174 46.178 45.100 -0.159 0.000 0.768 171 G HN 0.701 nan 8.290 nan 0.000 0.560 172 A N 0.587 123.244 122.820 -0.271 0.000 1.877 172 A HA 0.068 4.387 4.320 -0.000 0.000 0.216 172 A C 2.471 179.606 177.584 -0.749 0.000 1.186 172 A CA 1.413 53.188 52.037 -0.435 0.000 0.620 172 A CB -0.472 18.334 19.000 -0.323 0.000 0.822 172 A HN 0.358 nan 8.150 nan 0.000 0.443 173 L N -0.681 120.243 121.223 -0.499 0.000 2.079 173 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 173 L C 2.784 179.445 176.870 -0.348 0.000 1.081 173 L CA 1.856 56.459 54.840 -0.393 0.000 0.752 173 L CB -1.090 40.828 42.059 -0.235 0.000 0.896 173 L HN 0.371 nan 8.230 nan 0.000 0.433 174 T N -0.858 113.506 114.554 -0.316 0.000 2.708 174 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 174 T C 2.048 176.534 174.700 -0.357 0.000 1.037 174 T CA 1.172 63.068 62.100 -0.340 0.000 1.146 174 T CB -0.167 68.579 68.868 -0.204 0.000 0.865 174 T HN 0.253 nan 8.240 nan 0.000 0.435 175 R N -0.125 120.204 120.500 -0.285 0.000 2.120 175 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 175 R C 2.257 178.523 176.300 -0.056 0.000 1.123 175 R CA 1.348 57.348 56.100 -0.167 0.000 0.975 175 R CB -0.234 29.979 30.300 -0.145 0.000 0.866 175 R HN 0.661 nan 8.270 nan 0.000 0.446 176 H N -0.921 118.073 119.070 -0.126 0.000 2.403 176 H HA 0.033 4.589 4.556 -0.000 0.000 0.298 176 H C 2.096 177.366 175.328 -0.098 0.000 1.059 176 H CA 0.606 56.598 56.048 -0.094 0.000 1.363 176 H CB 0.210 29.920 29.762 -0.087 0.000 1.410 176 H HN 0.097 nan 8.280 nan 0.000 0.528 177 R N 0.802 121.247 120.500 -0.093 0.000 2.096 177 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 177 R C 2.358 178.640 176.300 -0.030 0.000 1.127 177 R CA 1.264 57.271 56.100 -0.154 0.000 0.968 177 R CB -0.179 29.795 30.300 -0.543 0.000 0.861 177 R HN 0.433 nan 8.270 nan 0.000 0.440 178 Q N 0.970 120.705 119.800 -0.110 0.000 2.050 178 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 178 Q C 2.090 178.169 176.000 0.133 0.000 0.980 178 Q CA 1.555 57.443 55.803 0.141 0.000 0.840 178 Q CB 0.099 28.874 28.738 0.062 0.000 0.898 178 Q HN 0.286 nan 8.270 nan 0.000 0.424 179 R N -0.310 120.243 120.500 0.088 0.000 2.073 179 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 179 R C 2.287 178.645 176.300 0.096 0.000 1.134 179 R CA 1.141 57.292 56.100 0.084 0.000 0.952 179 R CB -0.268 30.076 30.300 0.072 0.000 0.850 179 R HN 0.219 nan 8.270 nan 0.000 0.433 180 L N 1.206 122.495 121.223 0.110 0.000 2.131 180 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 180 L C 2.403 179.355 176.870 0.137 0.000 1.092 180 L CA 1.665 56.587 54.840 0.137 0.000 0.759 180 L CB -0.882 41.264 42.059 0.145 0.000 0.903 180 L HN 0.255 nan 8.230 nan 0.000 0.435 181 Q N -0.590 119.303 119.800 0.155 0.000 2.079 181 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 181 Q C 1.960 178.015 176.000 0.093 0.000 0.974 181 Q CA 1.458 57.346 55.803 0.141 0.000 0.840 181 Q CB 0.135 28.995 28.738 0.203 0.000 0.898 181 Q HN 0.564 nan 8.270 nan 0.000 0.430 182 E N 0.216 120.470 120.200 0.091 0.000 2.150 182 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 182 E C 1.872 178.498 176.600 0.043 0.000 0.985 182 E CA 1.139 57.575 56.400 0.060 0.000 0.814 182 E CB -0.069 29.666 29.700 0.059 0.000 0.752 182 E HN 0.388 nan 8.360 nan 0.000 0.466 183 L N -0.974 120.282 121.223 0.055 0.000 2.509 183 L HA 0.224 4.564 4.340 -0.000 0.000 0.222 183 L C 2.095 178.975 176.870 0.016 0.000 1.123 183 L CA 0.810 55.673 54.840 0.038 0.000 0.856 183 L CB -0.272 41.830 42.059 0.072 0.000 0.985 183 L HN -0.175 nan 8.230 nan 0.000 0.456 184 R N 1.467 121.984 120.500 0.029 0.000 2.094 184 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 184 R C -0.367 175.918 176.300 -0.026 0.000 1.137 184 R CA 2.450 58.552 56.100 0.003 0.000 0.943 184 R CB -1.523 28.791 30.300 0.023 0.000 0.850 184 R HN 0.427 nan 8.270 nan 0.000 0.433 185 P HA -0.166 nan 4.420 nan 0.000 0.222 185 P C 0.651 177.919 177.300 -0.054 0.000 1.147 185 P CA 1.347 64.429 63.100 -0.029 0.000 0.790 185 P CB -0.056 31.633 31.700 -0.017 0.000 0.780 186 R N -0.760 119.701 120.500 -0.065 0.000 2.100 186 R HA 0.025 4.365 4.340 -0.000 0.000 0.220 186 R C 2.363 178.560 176.300 -0.171 0.000 1.091 186 R CA 0.442 56.478 56.100 -0.106 0.000 0.986 186 R CB -0.562 29.689 30.300 -0.082 0.000 0.888 186 R HN 0.075 nan 8.270 nan 0.000 0.444 187 L N 0.927 122.061 121.223 -0.148 0.000 2.068 187 L HA 0.061 4.401 4.340 -0.000 0.000 0.204 187 L C 0.599 177.358 176.870 -0.186 0.000 1.076 187 L CA 1.428 56.147 54.840 -0.202 0.000 0.753 187 L CB -0.096 41.849 42.059 -0.190 0.000 0.910 187 L HN 0.053 nan 8.230 nan 0.000 0.439 188 L N 2.293 123.444 121.223 -0.121 0.000 2.436 188 L HA 0.165 4.505 4.340 -0.000 0.000 0.244 188 L C -0.453 176.399 176.870 -0.030 0.000 1.396 188 L CA -0.524 54.276 54.840 -0.068 0.000 1.217 188 L CB -0.920 41.109 42.059 -0.050 0.000 1.420 188 L HN 0.104 nan 8.230 nan 0.000 0.434 189 V N -0.738 119.167 119.914 -0.014 0.000 2.960 189 V HA 0.559 4.678 4.120 -0.000 0.000 0.315 189 V C -0.258 175.969 176.094 0.222 0.000 1.087 189 V CA -1.264 61.074 62.300 0.063 0.000 0.982 189 V CB 2.412 34.227 31.823 -0.013 0.000 1.039 189 V HN 0.257 nan 8.190 nan 0.000 0.437 190 L N 1.805 123.169 121.223 0.235 0.000 2.395 190 L HA 0.618 4.958 4.340 -0.000 0.000 0.269 190 L C -0.010 177.069 176.870 0.347 0.000 1.133 190 L CA 0.156 55.146 54.840 0.250 0.000 0.812 190 L CB 1.220 43.385 42.059 0.176 0.000 1.125 190 L HN 0.971 nan 8.230 nan 0.000 0.452 191 Q N 3.821 123.727 119.800 0.177 0.000 2.462 191 Q HA 0.377 4.717 4.340 -0.000 0.000 0.247 191 Q C -1.951 174.083 176.000 0.056 0.000 1.044 191 Q CA 0.017 55.752 55.803 -0.114 0.000 0.803 191 Q CB 0.433 28.893 28.738 -0.464 0.000 1.190 191 Q HN 0.521 nan 8.270 nan 0.000 0.507 192 F N 2.863 122.751 119.950 -0.103 0.000 2.902 192 F HA 0.662 5.189 4.527 -0.000 0.000 0.368 192 F C 0.270 176.036 175.800 -0.057 0.000 1.202 192 F CA -0.742 57.254 58.000 -0.007 0.000 1.109 192 F CB 1.394 40.447 39.000 0.087 0.000 1.418 192 F HN 0.531 nan 8.300 nan 0.000 0.527 193 G N 1.996 110.667 108.800 -0.215 0.000 3.040 193 G HA2 0.445 4.405 3.960 -0.000 0.000 0.214 193 G HA3 0.445 4.405 3.960 -0.000 0.000 0.214 193 G C 0.569 175.369 174.900 -0.167 0.000 1.093 193 G CA 0.334 45.290 45.100 -0.241 0.000 0.931 193 G HN 1.369 nan 8.290 nan 0.000 0.632 194 G N -0.295 108.424 108.800 -0.135 0.000 2.860 194 G HA2 0.231 4.191 3.960 -0.000 0.000 0.553 194 G HA3 0.231 4.191 3.960 -0.000 0.000 0.553 194 G C 1.257 176.116 174.900 -0.068 0.000 1.439 194 G CA 0.510 45.531 45.100 -0.132 0.000 0.879 194 G HN 1.391 nan 8.290 nan 0.000 0.545 195 A N -0.341 122.433 122.820 -0.076 0.000 1.942 195 A HA -0.165 4.155 4.320 -0.000 0.000 0.227 195 A C 2.503 180.037 177.584 -0.083 0.000 1.445 195 A CA 4.237 56.229 52.037 -0.075 0.000 0.704 195 A CB -0.821 18.151 19.000 -0.047 0.000 0.841 195 A HN 2.646 nan 8.150 nan 0.000 0.495 196 S N -3.820 111.851 115.700 -0.048 0.000 2.846 196 S HA 0.472 4.942 4.470 -0.000 0.000 0.249 196 S C 1.138 175.751 174.600 0.022 0.000 1.028 196 S CA 0.914 59.101 58.200 -0.022 0.000 1.043 196 S CB 0.174 63.355 63.200 -0.031 0.000 0.990 196 S HN 2.306 nan 8.310 nan 0.000 0.564 197 G N 1.804 110.629 108.800 0.042 0.000 2.159 197 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.256 197 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.256 197 G C 0.920 175.777 174.900 -0.072 0.000 0.977 197 G CA 0.671 45.763 45.100 -0.012 0.000 0.652 197 G HN 1.373 nan 8.290 nan 0.000 0.531 198 S N -1.018 114.641 115.700 -0.069 0.000 2.486 198 S HA 0.362 4.832 4.470 -0.000 0.000 0.220 198 S C 1.459 175.998 174.600 -0.101 0.000 1.011 198 S CA 0.973 59.130 58.200 -0.071 0.000 0.921 198 S CB 0.226 63.395 63.200 -0.052 0.000 0.785 198 S HN 1.297 nan 8.310 nan 0.000 0.517 199 L N 0.032 121.165 121.223 -0.149 0.000 4.232 199 L HA -0.269 4.071 4.340 -0.000 0.000 0.415 199 L C 1.635 178.430 176.870 -0.124 0.000 1.168 199 L CA 0.294 55.008 54.840 -0.209 0.000 0.966 199 L CB -2.014 39.895 42.059 -0.250 0.000 2.052 199 L HN 0.447 nan 8.230 nan 0.000 0.887 200 A N -0.767 122.001 122.820 -0.086 0.000 1.940 200 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 200 A C 2.349 179.905 177.584 -0.047 0.000 1.176 200 A CA 2.228 54.232 52.037 -0.055 0.000 0.631 200 A CB -0.461 18.513 19.000 -0.044 0.000 0.814 200 A HN 0.964 nan 8.150 nan 0.000 0.446 201 A N -0.701 122.086 122.820 -0.055 0.000 2.131 201 A HA 0.026 4.346 4.320 -0.000 0.000 0.220 201 A C 1.855 179.426 177.584 -0.023 0.000 1.158 201 A CA 1.381 53.396 52.037 -0.036 0.000 0.665 201 A CB -0.456 18.521 19.000 -0.038 0.000 0.795 201 A HN 0.498 nan 8.150 nan 0.000 0.460 202 L N -1.673 119.533 121.223 -0.030 0.000 2.607 202 L HA 0.266 4.606 4.340 -0.000 0.000 0.228 202 L C 1.715 178.586 176.870 0.002 0.000 1.123 202 L CA 0.158 54.997 54.840 -0.001 0.000 0.890 202 L CB -0.579 41.489 42.059 0.015 0.000 1.103 202 L HN 0.573 nan 8.230 nan 0.000 0.468 203 G N 1.332 110.126 108.800 -0.010 0.000 2.611 203 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.301 203 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.301 203 G C 0.900 175.800 174.900 -0.001 0.000 1.233 203 G CA 0.644 45.740 45.100 -0.005 0.000 0.993 203 G HN 0.429 nan 8.290 nan 0.000 0.553 204 S N 0.025 115.728 115.700 0.005 0.000 2.603 204 S HA 0.185 4.654 4.470 -0.000 0.000 0.220 204 S C 1.519 176.129 174.600 0.016 0.000 0.967 204 S CA 1.448 59.653 58.200 0.008 0.000 0.920 204 S CB 0.276 63.481 63.200 0.008 0.000 0.773 204 S HN 0.539 nan 8.310 nan 0.000 0.529 205 K N 1.191 121.603 120.400 0.021 0.000 2.417 205 K HA 0.423 4.743 4.320 -0.000 0.000 0.196 205 K C 1.839 178.469 176.600 0.051 0.000 1.023 205 K CA 0.568 56.874 56.287 0.032 0.000 1.122 205 K CB -0.293 32.227 32.500 0.032 0.000 0.850 205 K HN 0.445 nan 8.250 nan 0.000 0.521 206 A N 1.830 124.675 122.820 0.041 0.000 1.834 206 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 206 A C 2.133 179.774 177.584 0.096 0.000 1.203 206 A CA 1.494 53.563 52.037 0.054 0.000 0.621 206 A CB -0.327 18.673 19.000 -0.000 0.000 0.841 206 A HN 0.104 nan 8.150 nan 0.000 0.446 207 M N -0.653 118.985 119.600 0.064 0.000 2.108 207 M HA -0.089 4.391 4.480 -0.000 0.000 0.261 207 M C -0.251 176.092 176.300 0.071 0.000 1.066 207 M CA 1.684 57.026 55.300 0.070 0.000 1.107 207 M CB -2.490 30.136 32.600 0.044 0.000 1.356 207 M HN 0.172 nan 8.290 nan 0.000 0.406 208 P HA -0.084 nan 4.420 nan 0.000 0.215 208 P C 1.970 179.295 177.300 0.042 0.000 1.153 208 P CA 1.087 64.211 63.100 0.040 0.000 0.853 208 P CB -0.047 31.670 31.700 0.029 0.000 0.788 209 V N -0.029 119.927 119.914 0.070 0.000 2.358 209 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 209 V C 2.429 178.550 176.094 0.044 0.000 1.047 209 V CA 2.128 64.464 62.300 0.060 0.000 1.035 209 V CB -1.717 30.186 31.823 0.133 0.000 0.658 209 V HN 0.091 nan 8.190 nan 0.000 0.452 210 A N -0.017 122.907 122.820 0.173 0.000 1.877 210 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 210 A C 2.187 179.804 177.584 0.055 0.000 1.186 210 A CA 1.956 54.107 52.037 0.190 0.000 0.620 210 A CB -0.472 18.715 19.000 0.311 0.000 0.822 210 A HN 0.628 nan 8.150 nan 0.000 0.443 211 E N -0.218 120.013 120.200 0.052 0.000 2.077 211 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 211 E C 2.345 178.942 176.600 -0.005 0.000 0.989 211 E CA 0.912 57.327 56.400 0.026 0.000 0.800 211 E CB -0.337 29.379 29.700 0.027 0.000 0.746 211 E HN 0.607 nan 8.360 nan 0.000 0.452 212 A N 1.635 124.444 122.820 -0.019 0.000 1.908 212 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 212 A C 2.206 179.745 177.584 -0.075 0.000 1.181 212 A CA 1.135 53.148 52.037 -0.041 0.000 0.627 212 A CB -0.554 18.419 19.000 -0.045 0.000 0.818 212 A HN 0.207 nan 8.150 nan 0.000 0.445 213 L N -0.219 120.930 121.223 -0.123 0.000 2.017 213 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 213 L C 2.696 179.503 176.870 -0.105 0.000 1.073 213 L CA 2.241 56.966 54.840 -0.191 0.000 0.745 213 L CB -1.020 40.808 42.059 -0.384 0.000 0.894 213 L HN 0.356 nan 8.230 nan 0.000 0.432 214 A N -0.799 121.989 122.820 -0.053 0.000 1.883 214 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 214 A C 2.340 179.919 177.584 -0.009 0.000 1.186 214 A CA 1.880 53.914 52.037 -0.004 0.000 0.624 214 A CB -0.852 18.163 19.000 0.025 0.000 0.822 214 A HN 0.618 nan 8.150 nan 0.000 0.444 215 E N -0.816 119.375 120.200 -0.015 0.000 2.085 215 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 215 E C 2.154 178.742 176.600 -0.021 0.000 0.994 215 E CA 1.313 57.705 56.400 -0.014 0.000 0.801 215 E CB -0.136 29.556 29.700 -0.014 0.000 0.743 215 E HN 0.577 nan 8.360 nan 0.000 0.453 216 Q N 0.012 119.790 119.800 -0.037 0.000 2.096 216 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 216 Q C 2.227 178.209 176.000 -0.030 0.000 0.982 216 Q CA 1.121 56.898 55.803 -0.043 0.000 0.850 216 Q CB -0.089 28.604 28.738 -0.074 0.000 0.901 216 Q HN 0.412 nan 8.270 nan 0.000 0.422 217 L N 0.153 121.363 121.223 -0.022 0.000 2.592 217 L HA 0.079 4.419 4.340 -0.000 0.000 0.227 217 L C 0.251 177.124 176.870 0.005 0.000 1.127 217 L CA 0.004 54.844 54.840 -0.000 0.000 0.884 217 L CB 0.071 42.144 42.059 0.024 0.000 1.065 217 L HN 0.128 nan 8.230 nan 0.000 0.457 218 K N 0.747 121.147 120.400 -0.000 0.000 3.071 218 K HA -0.169 4.151 4.320 -0.000 0.000 0.265 218 K C -0.529 176.076 176.600 0.007 0.000 1.060 218 K CA 0.493 56.781 56.287 0.002 0.000 0.767 218 K CB -1.541 30.958 32.500 -0.001 0.000 1.241 218 K HN 0.290 nan 8.250 nan 0.000 0.486 219 L N 0.066 121.298 121.223 0.016 0.000 2.333 219 L HA 0.376 4.716 4.340 -0.000 0.000 0.269 219 L C 0.792 177.679 176.870 0.027 0.000 1.010 219 L CA -0.977 53.878 54.840 0.026 0.000 0.818 219 L CB 2.048 44.138 42.059 0.050 0.000 1.306 219 L HN -0.041 nan 8.230 nan 0.000 0.430 220 T N 1.900 116.469 114.554 0.024 0.000 2.868 220 T HA 0.305 4.655 4.350 -0.000 0.000 0.292 220 T C -0.375 174.355 174.700 0.050 0.000 1.028 220 T CA -0.311 61.804 62.100 0.024 0.000 1.059 220 T CB 1.202 70.073 68.868 0.006 0.000 0.991 220 T HN 0.204 nan 8.240 nan 0.000 0.531 221 L N 5.323 126.577 121.223 0.051 0.000 2.264 221 L HA 0.438 4.778 4.340 -0.000 0.000 0.289 221 L C -1.964 174.948 176.870 0.070 0.000 1.044 221 L CA -1.878 53.009 54.840 0.079 0.000 0.807 221 L CB 0.515 42.617 42.059 0.071 0.000 1.192 221 L HN 0.408 nan 8.230 nan 0.000 0.425 222 P HA 0.097 nan 4.420 nan 0.000 0.274 222 P C 0.053 177.391 177.300 0.065 0.000 1.256 222 P CA -0.296 62.846 63.100 0.070 0.000 0.795 222 P CB 0.560 32.335 31.700 0.125 0.000 1.038 223 E N 0.885 121.108 120.200 0.039 0.000 2.160 223 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 223 E C 0.341 176.968 176.600 0.044 0.000 0.991 223 E CA 1.446 57.866 56.400 0.033 0.000 0.810 223 E CB -0.036 29.675 29.700 0.018 0.000 0.742 223 E HN 0.738 nan 8.360 nan 0.000 0.466 224 Q N -0.972 118.869 119.800 0.067 0.000 2.633 224 Q HA 0.550 4.890 4.340 -0.000 0.000 0.289 224 Q C -3.091 172.970 176.000 0.102 0.000 0.940 224 Q CA -2.188 53.649 55.803 0.057 0.000 0.785 224 Q CB 1.320 30.077 28.738 0.031 0.000 1.467 224 Q HN -0.238 nan 8.270 nan 0.000 0.401 225 P HA 0.024 nan 4.420 nan 0.000 0.271 225 P C -0.720 176.532 177.300 -0.080 0.000 1.233 225 P CA -0.056 62.953 63.100 -0.152 0.000 0.789 225 P CB 0.213 31.668 31.700 -0.407 0.000 0.951 226 W N 1.155 122.285 121.300 -0.284 0.000 1.187 226 W HA 0.256 4.916 4.660 -0.000 0.000 0.297 226 W C 0.061 176.494 176.519 -0.143 0.000 0.842 226 W CA -0.229 57.014 57.345 -0.169 0.000 2.286 226 W CB -1.574 27.833 29.460 -0.088 0.000 1.736 226 W HN 0.401 nan 8.180 nan 0.000 0.507 227 H N 1.594 120.489 119.070 -0.292 0.000 2.422 227 H HA -0.111 4.445 4.556 -0.000 0.000 0.298 227 H C 1.694 176.870 175.328 -0.253 0.000 1.098 227 H CA 2.510 58.327 56.048 -0.385 0.000 1.315 227 H CB -0.370 29.176 29.762 -0.361 0.000 1.382 227 H HN 0.267 nan 8.280 nan 0.000 0.523 228 T N -2.036 112.529 114.554 0.019 0.000 3.145 228 T HA 0.153 4.503 4.350 -0.000 0.000 0.281 228 T C 0.392 175.141 174.700 0.081 0.000 1.003 228 T CA -0.429 61.688 62.100 0.027 0.000 0.901 228 T CB 0.595 69.472 68.868 0.016 0.000 1.112 228 T HN -0.046 nan 8.240 nan 0.000 0.535 229 Q N 1.832 121.720 119.800 0.147 0.000 2.456 229 Q HA 0.392 4.732 4.340 -0.000 0.000 0.252 229 Q C 0.155 176.290 176.000 0.226 0.000 1.042 229 Q CA -0.384 55.510 55.803 0.151 0.000 0.766 229 Q CB 1.401 30.224 28.738 0.143 0.000 1.196 229 Q HN 0.259 nan 8.270 nan 0.000 0.504 230 R N 1.298 121.897 120.500 0.166 0.000 2.359 230 R HA -0.004 4.336 4.340 -0.000 0.000 0.231 230 R C 0.883 177.214 176.300 0.052 0.000 0.913 230 R CA 0.074 56.281 56.100 0.179 0.000 1.075 230 R CB 0.184 30.582 30.300 0.164 0.000 1.087 230 R HN 0.580 nan 8.270 nan 0.000 0.515 231 D N 1.066 121.469 120.400 0.005 0.000 2.190 231 D HA -0.236 4.404 4.640 -0.000 0.000 0.200 231 D C 1.402 177.651 176.300 -0.086 0.000 0.992 231 D CA 0.953 54.925 54.000 -0.047 0.000 0.854 231 D CB -0.090 40.693 40.800 -0.030 0.000 0.936 231 D HN 0.197 nan 8.370 nan 0.000 0.462 232 R N 0.058 120.469 120.500 -0.149 0.000 2.081 232 R HA 0.033 4.372 4.340 -0.000 0.000 0.235 232 R C 2.759 179.002 176.300 -0.095 0.000 1.131 232 R CA 0.910 56.888 56.100 -0.203 0.000 0.960 232 R CB -0.204 29.812 30.300 -0.472 0.000 0.856 232 R HN 0.271 nan 8.270 nan 0.000 0.436 233 L N -0.087 121.113 121.223 -0.038 0.000 2.072 233 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 233 L C 2.314 179.211 176.870 0.045 0.000 1.079 233 L CA 0.798 55.680 54.840 0.070 0.000 0.752 233 L CB -0.407 41.744 42.059 0.153 0.000 0.906 233 L HN 0.029 nan 8.230 nan 0.000 0.436 234 V N 0.224 120.095 119.914 -0.072 0.000 2.427 234 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 234 V C 2.497 178.463 176.094 -0.212 0.000 1.051 234 V CA 1.914 64.064 62.300 -0.250 0.000 1.048 234 V CB -0.479 31.061 31.823 -0.472 0.000 0.666 234 V HN 0.529 nan 8.190 nan 0.000 0.456 235 E N 0.058 120.201 120.200 -0.095 0.000 2.051 235 E HA -0.280 4.070 4.350 -0.000 0.000 0.192 235 E C 2.153 178.773 176.600 0.033 0.000 0.991 235 E CA 1.648 58.032 56.400 -0.025 0.000 0.799 235 E CB -0.277 29.424 29.700 0.002 0.000 0.748 235 E HN 0.507 nan 8.360 nan 0.000 0.449 236 F N 1.424 121.330 119.950 -0.073 0.000 2.126 236 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 236 F C 2.095 177.865 175.800 -0.049 0.000 1.096 236 F CA 1.760 59.732 58.000 -0.046 0.000 1.255 236 F CB -0.681 38.303 39.000 -0.027 0.000 0.997 236 F HN 0.122 nan 8.300 nan 0.000 0.479 237 A N -1.066 121.680 122.820 -0.124 0.000 1.969 237 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 237 A C 2.370 179.831 177.584 -0.204 0.000 1.169 237 A CA 1.746 53.646 52.037 -0.228 0.000 0.635 237 A CB -1.351 17.582 19.000 -0.112 0.000 0.810 237 A HN 0.469 nan 8.150 nan 0.000 0.445 238 S N -0.558 115.064 115.700 -0.130 0.000 2.368 238 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 238 S C 1.874 176.408 174.600 -0.110 0.000 1.030 238 S CA 1.656 59.830 58.200 -0.043 0.000 0.999 238 S CB -0.429 62.804 63.200 0.055 0.000 0.844 238 S HN 0.293 nan 8.310 nan 0.000 0.459 239 V N 1.675 121.491 119.914 -0.163 0.000 2.379 239 V HA -0.061 4.059 4.120 -0.000 0.000 0.245 239 V C 2.400 178.309 176.094 -0.308 0.000 1.044 239 V CA 1.246 63.419 62.300 -0.211 0.000 1.036 239 V CB -0.689 31.044 31.823 -0.149 0.000 0.664 239 V HN 0.375 nan 8.190 nan 0.000 0.453 240 L N 1.258 122.255 121.223 -0.377 0.000 2.127 240 L HA -0.076 4.263 4.340 -0.000 0.000 0.211 240 L C 2.478 179.198 176.870 -0.251 0.000 1.089 240 L CA 2.161 56.788 54.840 -0.356 0.000 0.757 240 L CB -1.467 40.315 42.059 -0.461 0.000 0.899 240 L HN 0.359 nan 8.230 nan 0.000 0.434 241 G N -1.243 107.431 108.800 -0.209 0.000 2.418 241 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 241 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 241 G C 1.552 176.354 174.900 -0.162 0.000 1.158 241 G CA 0.436 45.450 45.100 -0.144 0.000 0.771 241 G HN 0.238 nan 8.290 nan 0.000 0.545 242 L N 0.609 121.694 121.223 -0.230 0.000 2.046 242 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 242 L C 3.124 179.766 176.870 -0.380 0.000 1.077 242 L CA 0.847 55.503 54.840 -0.306 0.000 0.747 242 L CB -0.825 40.965 42.059 -0.448 0.000 0.896 242 L HN 0.106 nan 8.230 nan 0.000 0.432 243 V N -0.481 119.169 119.914 -0.440 0.000 2.295 243 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 243 V C 2.700 178.754 176.094 -0.067 0.000 1.049 243 V CA 1.576 63.752 62.300 -0.207 0.000 1.024 243 V CB -1.140 30.595 31.823 -0.147 0.000 0.648 243 V HN 0.502 nan 8.190 nan 0.000 0.447 244 A N 0.501 123.263 122.820 -0.097 0.000 1.908 244 A HA -0.128 4.191 4.320 -0.000 0.000 0.218 244 A C 2.426 179.987 177.584 -0.039 0.000 1.181 244 A CA 2.090 54.088 52.037 -0.064 0.000 0.627 244 A CB -1.303 17.645 19.000 -0.088 0.000 0.818 244 A HN 0.535 nan 8.150 nan 0.000 0.445 245 G N -0.755 108.016 108.800 -0.048 0.000 2.446 245 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.217 245 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.217 245 G C 1.855 176.764 174.900 0.015 0.000 1.168 245 G CA 1.369 46.455 45.100 -0.025 0.000 0.771 245 G HN 0.496 nan 8.290 nan 0.000 0.551 246 S N 0.486 116.221 115.700 0.057 0.000 2.368 246 S HA 0.009 4.478 4.470 -0.000 0.000 0.225 246 S C 2.271 176.923 174.600 0.085 0.000 1.030 246 S CA 0.801 59.053 58.200 0.087 0.000 0.999 246 S CB -0.268 63.037 63.200 0.176 0.000 0.844 246 S HN 0.288 nan 8.310 nan 0.000 0.459 247 L N 1.026 122.301 121.223 0.086 0.000 2.275 247 L HA -0.034 4.306 4.340 -0.000 0.000 0.215 247 L C 2.619 179.566 176.870 0.128 0.000 1.119 247 L CA 0.888 55.809 54.840 0.134 0.000 0.790 247 L CB -0.993 41.127 42.059 0.101 0.000 0.919 247 L HN 0.413 nan 8.230 nan 0.000 0.443 248 G N -0.109 108.725 108.800 0.056 0.000 2.402 248 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 248 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 248 G C 1.732 176.647 174.900 0.025 0.000 1.162 248 G CA 0.298 45.409 45.100 0.017 0.000 0.777 248 G HN 0.148 nan 8.290 nan 0.000 0.539 249 K N -0.043 120.385 120.400 0.048 0.000 2.057 249 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 249 K C 2.150 178.805 176.600 0.091 0.000 1.050 249 K CA 0.866 57.180 56.287 0.045 0.000 0.935 249 K CB -0.423 32.101 32.500 0.040 0.000 0.715 249 K HN 0.257 nan 8.250 nan 0.000 0.439 250 F N 1.438 121.369 119.950 -0.031 0.000 2.102 250 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 250 F C 2.094 177.878 175.800 -0.027 0.000 1.105 250 F CA 1.937 59.919 58.000 -0.030 0.000 1.239 250 F CB -0.987 37.997 39.000 -0.026 0.000 0.991 250 F HN 0.098 nan 8.300 nan 0.000 0.474 251 G N -0.264 108.469 108.800 -0.111 0.000 2.442 251 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 251 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 251 G C 1.757 176.555 174.900 -0.170 0.000 1.141 251 G CA 0.991 45.968 45.100 -0.206 0.000 0.763 251 G HN 0.359 nan 8.290 nan 0.000 0.554 252 R N 0.765 121.206 120.500 -0.099 0.000 2.066 252 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 252 R C 2.056 178.298 176.300 -0.096 0.000 1.131 252 R CA 1.719 57.771 56.100 -0.080 0.000 0.955 252 R CB -0.541 29.729 30.300 -0.050 0.000 0.851 252 R HN 0.201 nan 8.270 nan 0.000 0.432 253 D N 0.262 120.603 120.400 -0.097 0.000 2.144 253 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 253 D C 1.784 177.992 176.300 -0.154 0.000 0.984 253 D CA 1.125 55.069 54.000 -0.094 0.000 0.834 253 D CB -0.072 40.704 40.800 -0.039 0.000 0.955 253 D HN 0.218 nan 8.370 nan 0.000 0.465 254 I N 1.190 121.605 120.570 -0.258 0.000 2.179 254 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 254 I C 2.549 178.556 176.117 -0.184 0.000 1.088 254 I CA 1.121 62.255 61.300 -0.276 0.000 1.357 254 I CB -1.446 36.315 38.000 -0.397 0.000 1.051 254 I HN 0.024 nan 8.210 nan 0.000 0.409 255 S N 1.243 116.855 115.700 -0.147 0.000 2.400 255 S HA -0.139 4.331 4.470 -0.000 0.000 0.232 255 S C 2.059 176.613 174.600 -0.077 0.000 1.025 255 S CA 1.037 59.184 58.200 -0.089 0.000 0.993 255 S CB -0.890 62.271 63.200 -0.064 0.000 0.808 255 S HN 0.451 nan 8.310 nan 0.000 0.478 256 L N 0.324 121.498 121.223 -0.083 0.000 2.179 256 L HA 0.168 4.507 4.340 -0.000 0.000 0.208 256 L C 2.438 179.257 176.870 -0.085 0.000 1.096 256 L CA 0.688 55.490 54.840 -0.063 0.000 0.779 256 L CB -0.394 41.637 42.059 -0.047 0.000 0.922 256 L HN 0.311 nan 8.230 nan 0.000 0.443 257 L N -1.126 120.018 121.223 -0.131 0.000 2.313 257 L HA -0.106 4.234 4.340 -0.000 0.000 0.214 257 L C 2.315 179.014 176.870 -0.286 0.000 1.119 257 L CA 0.879 55.606 54.840 -0.188 0.000 0.809 257 L CB -0.190 41.743 42.059 -0.209 0.000 0.933 257 L HN 0.332 nan 8.230 nan 0.000 0.449 258 M N -0.948 118.509 119.600 -0.239 0.000 2.595 258 M HA -0.016 4.464 4.480 -0.000 0.000 0.248 258 M C 0.580 176.850 176.300 -0.049 0.000 1.119 258 M CA 0.334 55.502 55.300 -0.220 0.000 1.079 258 M CB 0.191 32.751 32.600 -0.067 0.000 1.472 258 M HN 0.226 nan 8.290 nan 0.000 0.501 259 Q N 0.142 119.914 119.800 -0.047 0.000 2.326 259 Q HA -0.082 4.258 4.340 -0.000 0.000 0.314 259 Q C 1.073 177.094 176.000 0.034 0.000 1.091 259 Q CA 0.361 56.166 55.803 0.003 0.000 0.974 259 Q CB 0.767 29.501 28.738 -0.006 0.000 1.220 259 Q HN 0.272 nan 8.270 nan 0.000 0.398 260 T N 1.884 116.473 114.554 0.059 0.000 2.699 260 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 260 T C 1.149 175.879 174.700 0.050 0.000 1.036 260 T CA 1.720 63.863 62.100 0.073 0.000 1.147 260 T CB -0.037 68.866 68.868 0.058 0.000 0.862 260 T HN 0.659 nan 8.240 nan 0.000 0.446 261 E N 1.220 121.440 120.200 0.032 0.000 2.516 261 E HA 0.168 4.518 4.350 -0.000 0.000 0.199 261 E C 1.711 178.328 176.600 0.028 0.000 1.069 261 E CA 0.683 57.098 56.400 0.026 0.000 0.876 261 E CB -0.177 29.534 29.700 0.018 0.000 0.843 261 E HN 0.592 nan 8.360 nan 0.000 0.530 262 A N 1.231 124.060 122.820 0.016 0.000 2.042 262 A HA 0.460 4.780 4.320 -0.000 0.000 0.207 262 A C 1.828 179.395 177.584 -0.028 0.000 1.598 262 A CA 0.653 52.687 52.037 -0.005 0.000 0.818 262 A CB -0.563 18.416 19.000 -0.035 0.000 1.169 262 A HN 0.295 nan 8.150 nan 0.000 0.548 263 G N 0.372 109.130 108.800 -0.070 0.000 2.395 263 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.300 263 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.300 263 G C 0.335 175.101 174.900 -0.224 0.000 0.998 263 G CA 0.998 46.048 45.100 -0.083 0.000 1.046 263 G HN 0.667 nan 8.290 nan 0.000 0.513 264 E N -1.763 118.217 120.200 -0.368 0.000 2.201 264 E HA 0.256 4.606 4.350 -0.000 0.000 0.193 264 E C 0.725 177.114 176.600 -0.351 0.000 0.957 264 E CA 0.637 56.888 56.400 -0.249 0.000 0.858 264 E CB 0.732 30.341 29.700 -0.153 0.000 0.816 264 E HN 0.359 nan 8.360 nan 0.000 0.475 265 V N 1.189 120.753 119.914 -0.583 0.000 2.789 265 V HA 0.385 4.505 4.120 -0.000 0.000 0.311 265 V C -1.205 174.476 176.094 -0.689 0.000 1.073 265 V CA -0.745 61.292 62.300 -0.438 0.000 0.921 265 V CB 1.575 33.251 31.823 -0.245 0.000 1.009 265 V HN 0.017 nan 8.190 nan 0.000 0.426 266 F N 0.584 120.526 119.950 -0.014 0.000 2.588 266 F HA 0.529 5.056 4.527 -0.001 0.000 0.314 266 F C 0.453 176.248 175.800 -0.008 0.000 1.069 266 F CA -0.837 57.160 58.000 -0.005 0.000 0.931 266 F CB 1.583 40.595 39.000 0.020 0.000 1.260 266 F HN 0.390 nan 8.300 nan 0.000 0.465 267 E N 1.928 122.240 120.200 0.187 0.000 2.390 267 E HA 0.212 4.562 4.350 -0.000 0.000 0.261 267 E C -2.323 174.347 176.600 0.118 0.000 1.076 267 E CA -1.626 54.837 56.400 0.106 0.000 0.905 267 E CB 0.421 30.166 29.700 0.075 0.000 0.984 267 E HN 0.187 nan 8.360 nan 0.000 0.427 268 P HA -0.065 nan 4.420 nan 0.000 0.266 268 P C -0.519 176.810 177.300 0.048 0.000 1.195 268 P CA 0.195 63.337 63.100 0.070 0.000 0.768 268 P CB 0.427 32.165 31.700 0.064 0.000 0.838 269 S N 1.593 117.307 115.700 0.024 0.000 3.864 269 S HA 0.354 4.824 4.470 -0.000 0.000 0.202 269 S C 0.670 175.269 174.600 -0.001 0.000 1.402 269 S CA -0.572 57.625 58.200 -0.005 0.000 1.072 269 S CB -1.334 61.845 63.200 -0.034 0.000 1.383 269 S HN 0.649 nan 8.310 nan 0.000 0.458 270 A N 2.701 125.529 122.820 0.013 0.000 2.617 270 A HA 0.204 4.524 4.320 -0.000 0.000 0.232 270 A C -1.134 176.450 177.584 -0.001 0.000 1.027 270 A CA -0.346 51.699 52.037 0.013 0.000 0.806 270 A CB -0.919 18.091 19.000 0.016 0.000 0.908 270 A HN 0.605 nan 8.150 nan 0.000 0.484 280 P HA 0.078 nan 4.420 nan 0.000 0.218 280 P C -0.394 177.029 177.300 0.205 0.000 1.149 280 P CA 1.440 64.598 63.100 0.096 0.000 0.817 280 P CB 0.044 31.787 31.700 0.072 0.000 0.785 281 H N -3.983 115.082 119.070 -0.008 0.000 6.328 281 H HA 0.021 4.577 4.556 0.000 0.000 0.891 281 H C -0.287 175.035 175.328 -0.010 0.000 1.974 281 H CA -0.905 55.127 56.048 -0.026 0.000 1.390 281 H CB -1.418 28.322 29.762 -0.037 0.000 4.717 281 H HN -0.201 nan 8.280 nan 0.000 0.696 282 K N 1.519 121.945 120.400 0.043 0.000 1.826 282 K HA 0.142 4.462 4.320 -0.000 0.000 0.214 282 K C 0.139 176.741 176.600 0.004 0.000 1.139 282 K CA 0.997 57.301 56.287 0.027 0.000 1.311 282 K CB -0.484 32.021 32.500 0.008 0.000 1.014 282 K HN 0.490 nan 8.250 nan 0.000 0.272 283 R N 3.507 124.029 120.500 0.037 0.000 2.312 283 R HA 0.313 4.653 4.340 -0.000 0.000 0.310 283 R C -0.766 175.579 176.300 0.074 0.000 1.064 283 R CA -0.569 55.552 56.100 0.034 0.000 0.983 283 R CB -0.467 29.855 30.300 0.036 0.000 1.139 283 R HN 0.779 nan 8.270 nan 0.000 0.536 284 N N 3.796 122.527 118.700 0.051 0.000 2.518 284 N HA 0.313 5.053 4.740 -0.000 0.000 0.283 284 N C -2.183 173.365 175.510 0.064 0.000 1.119 284 N CA -1.683 51.401 53.050 0.057 0.000 0.983 284 N CB 2.071 40.584 38.487 0.043 0.000 1.139 284 N HN 0.428 nan 8.380 nan 0.000 0.465 285 P HA 0.022 nan 4.420 nan 0.000 0.238 285 P C 1.042 178.388 177.300 0.078 0.000 1.794 285 P CA -0.149 62.986 63.100 0.057 0.000 1.088 285 P CB 0.150 31.866 31.700 0.026 0.000 1.923 286 V N 1.231 121.204 119.914 0.099 0.000 2.594 286 V HA -0.055 4.065 4.120 -0.000 0.000 0.253 286 V C 2.082 178.324 176.094 0.247 0.000 1.069 286 V CA 2.094 64.497 62.300 0.172 0.000 1.082 286 V CB -1.635 30.253 31.823 0.109 0.000 0.680 286 V HN 0.305 nan 8.190 nan 0.000 0.469 287 G N 0.005 108.898 108.800 0.156 0.000 2.394 287 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.214 287 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.214 287 G C 1.762 176.702 174.900 0.066 0.000 1.176 287 G CA 0.971 46.151 45.100 0.134 0.000 0.786 287 G HN 0.860 nan 8.290 nan 0.000 0.533 288 A N 1.302 124.131 122.820 0.016 0.000 1.986 288 A HA 0.147 4.467 4.320 -0.000 0.000 0.220 288 A C 2.784 180.361 177.584 -0.011 0.000 1.171 288 A CA 2.361 54.375 52.037 -0.039 0.000 0.640 288 A CB -0.776 18.181 19.000 -0.072 0.000 0.811 288 A HN 0.833 nan 8.150 nan 0.000 0.451 289 A N -0.618 122.226 122.820 0.040 0.000 1.908 289 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 289 A C 2.239 179.814 177.584 -0.015 0.000 1.181 289 A CA 1.920 53.984 52.037 0.046 0.000 0.627 289 A CB -0.913 18.177 19.000 0.149 0.000 0.818 289 A HN 0.426 nan 8.150 nan 0.000 0.445 290 V N 0.319 120.211 119.914 -0.038 0.000 2.307 290 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 290 V C 2.564 178.598 176.094 -0.100 0.000 1.045 290 V CA 1.859 64.087 62.300 -0.121 0.000 1.024 290 V CB -0.765 30.981 31.823 -0.128 0.000 0.651 290 V HN 0.575 nan 8.190 nan 0.000 0.449 291 L N -0.561 120.634 121.223 -0.046 0.000 2.046 291 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 291 L C 2.403 179.238 176.870 -0.059 0.000 1.077 291 L CA 1.808 56.629 54.840 -0.033 0.000 0.747 291 L CB -0.663 41.400 42.059 0.007 0.000 0.896 291 L HN 0.281 nan 8.230 nan 0.000 0.432 292 I N 0.081 120.611 120.570 -0.065 0.000 2.315 292 I HA -0.164 4.005 4.170 -0.000 0.000 0.248 292 I C 2.682 178.736 176.117 -0.105 0.000 1.117 292 I CA 1.277 62.534 61.300 -0.072 0.000 1.404 292 I CB -0.849 37.116 38.000 -0.059 0.000 1.071 292 I HN 0.257 nan 8.210 nan 0.000 0.419 293 G N 0.721 109.434 108.800 -0.145 0.000 2.418 293 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 293 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 293 G C 1.887 176.643 174.900 -0.241 0.000 1.158 293 G CA 0.861 45.826 45.100 -0.225 0.000 0.771 293 G HN 0.480 nan 8.290 nan 0.000 0.545 294 A N 1.299 123.986 122.820 -0.222 0.000 1.877 294 A HA 0.247 4.567 4.320 -0.000 0.000 0.216 294 A C 2.806 180.309 177.584 -0.135 0.000 1.186 294 A CA 2.313 54.238 52.037 -0.187 0.000 0.620 294 A CB -0.888 18.027 19.000 -0.141 0.000 0.822 294 A HN 0.891 nan 8.150 nan 0.000 0.443 295 A N -1.304 121.453 122.820 -0.105 0.000 2.070 295 A HA -0.041 4.278 4.320 -0.000 0.000 0.220 295 A C 2.138 179.670 177.584 -0.087 0.000 1.159 295 A CA 2.170 54.157 52.037 -0.082 0.000 0.656 295 A CB -0.835 18.129 19.000 -0.059 0.000 0.800 295 A HN 0.454 nan 8.150 nan 0.000 0.453 296 T N -1.247 113.244 114.554 -0.105 0.000 3.031 296 T HA 0.034 4.384 4.350 -0.000 0.000 0.254 296 T C 2.050 176.687 174.700 -0.105 0.000 1.060 296 T CA 0.583 62.624 62.100 -0.099 0.000 1.135 296 T CB -0.026 68.780 68.868 -0.103 0.000 0.896 296 T HN 0.419 nan 8.240 nan 0.000 0.472 297 R N 0.715 121.135 120.500 -0.132 0.000 2.100 297 R HA 0.129 4.469 4.340 -0.000 0.000 0.220 297 R C 2.442 178.680 176.300 -0.104 0.000 1.091 297 R CA 0.638 56.660 56.100 -0.130 0.000 0.986 297 R CB -0.814 29.377 30.300 -0.181 0.000 0.888 297 R HN 0.253 nan 8.270 nan 0.000 0.444 298 V N 2.019 121.870 119.914 -0.104 0.000 2.332 298 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 298 V C -0.868 175.190 176.094 -0.059 0.000 1.055 298 V CA 1.864 64.112 62.300 -0.087 0.000 1.038 298 V CB -1.304 30.461 31.823 -0.096 0.000 0.651 298 V HN 0.186 nan 8.190 nan 0.000 0.450 299 P HA -0.182 nan 4.420 nan 0.000 0.216 299 P C 1.737 179.025 177.300 -0.020 0.000 1.157 299 P CA 2.071 65.149 63.100 -0.035 0.000 0.880 299 P CB -0.354 31.318 31.700 -0.047 0.000 0.791 300 G N -0.352 108.428 108.800 -0.033 0.000 2.421 300 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 300 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 300 G C 1.490 176.384 174.900 -0.010 0.000 1.171 300 G CA 0.639 45.725 45.100 -0.023 0.000 0.775 300 G HN 0.225 nan 8.290 nan 0.000 0.543 301 L N -0.492 120.716 121.223 -0.025 0.000 2.083 301 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 301 L C 2.802 179.673 176.870 0.001 0.000 1.083 301 L CA 0.315 55.142 54.840 -0.023 0.000 0.752 301 L CB -0.434 41.596 42.059 -0.048 0.000 0.899 301 L HN 0.140 nan 8.230 nan 0.000 0.433 302 L N -0.095 121.139 121.223 0.019 0.000 2.017 302 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 302 L C 2.922 179.913 176.870 0.201 0.000 1.073 302 L CA 2.064 56.952 54.840 0.079 0.000 0.745 302 L CB -0.637 41.492 42.059 0.116 0.000 0.894 302 L HN 0.370 nan 8.230 nan 0.000 0.432 303 S N -2.668 113.137 115.700 0.175 0.000 2.419 303 S HA -0.201 4.269 4.470 -0.000 0.000 0.233 303 S C 1.935 176.633 174.600 0.163 0.000 1.016 303 S CA 1.556 59.878 58.200 0.204 0.000 0.974 303 S CB -0.978 62.262 63.200 0.067 0.000 0.786 303 S HN 0.448 nan 8.310 nan 0.000 0.492 304 T N 3.181 117.786 114.554 0.085 0.000 2.684 304 T HA 0.055 4.405 4.350 -0.000 0.000 0.267 304 T C 1.698 176.429 174.700 0.051 0.000 1.036 304 T CA 1.600 63.729 62.100 0.048 0.000 1.148 304 T CB -0.559 68.317 68.868 0.014 0.000 0.863 304 T HN 0.344 nan 8.240 nan 0.000 0.436 305 L N -0.530 120.709 121.223 0.027 0.000 2.083 305 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 305 L C 2.299 179.131 176.870 -0.064 0.000 1.083 305 L CA 1.299 56.117 54.840 -0.036 0.000 0.752 305 L CB -0.576 41.420 42.059 -0.105 0.000 0.899 305 L HN 0.227 nan 8.230 nan 0.000 0.433 306 F N 0.030 119.987 119.950 0.012 0.000 2.113 306 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 306 F C 2.656 178.463 175.800 0.012 0.000 1.103 306 F CA 1.228 59.235 58.000 0.011 0.000 1.248 306 F CB -0.539 38.460 39.000 -0.002 0.000 0.999 306 F HN -0.002 nan 8.300 nan 0.000 0.475 307 A N -0.125 122.813 122.820 0.197 0.000 1.986 307 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 307 A C 2.120 179.748 177.584 0.073 0.000 1.171 307 A CA 1.714 53.815 52.037 0.108 0.000 0.640 307 A CB -1.175 17.867 19.000 0.070 0.000 0.811 307 A HN 0.303 nan 8.150 nan 0.000 0.451 308 A N -1.343 121.514 122.820 0.063 0.000 2.278 308 A HA 0.386 4.706 4.320 -0.000 0.000 0.212 308 A C 1.800 179.423 177.584 0.065 0.000 1.213 308 A CA 0.416 52.485 52.037 0.054 0.000 0.840 308 A CB -0.509 18.520 19.000 0.049 0.000 0.866 308 A HN 0.523 nan 8.150 nan 0.000 0.489 309 M N 0.647 120.285 119.600 0.064 0.000 2.200 309 M HA -0.011 4.469 4.480 -0.000 0.000 0.265 309 M C -1.095 175.237 176.300 0.055 0.000 1.066 309 M CA 1.050 56.387 55.300 0.061 0.000 1.127 309 M CB -0.875 31.765 32.600 0.066 0.000 1.379 309 M HN 0.141 nan 8.290 nan 0.000 0.420 310 P HA 0.023 nan 4.420 nan 0.000 0.231 310 P C -1.221 176.087 177.300 0.012 0.000 1.756 310 P CA 0.279 63.393 63.100 0.024 0.000 0.990 310 P CB -0.679 31.032 31.700 0.017 0.000 1.973 311 Q N 1.283 121.097 119.800 0.023 0.000 2.288 311 Q HA 0.134 4.474 4.340 -0.000 0.000 0.258 311 Q C 0.012 176.000 176.000 -0.020 0.000 0.957 311 Q CA -0.354 55.462 55.803 0.021 0.000 0.919 311 Q CB 0.634 29.399 28.738 0.046 0.000 1.185 311 Q HN 0.375 nan 8.270 nan 0.000 0.408 312 E N 3.361 123.532 120.200 -0.047 0.000 2.376 312 E HA 0.018 4.367 4.350 -0.000 0.000 0.266 312 E C 0.078 176.634 176.600 -0.074 0.000 1.009 312 E CA -0.280 56.030 56.400 -0.150 0.000 0.902 312 E CB 0.277 29.875 29.700 -0.169 0.000 0.972 312 E HN 0.483 nan 8.360 nan 0.000 0.439 313 H N 2.258 121.332 119.070 0.007 0.000 1.452 313 H HA -0.250 4.306 4.556 -0.000 0.000 0.090 313 H C 0.858 176.182 175.328 -0.007 0.000 0.968 313 H CA 1.772 57.821 56.048 0.001 0.000 1.901 313 H CB -0.995 28.766 29.762 -0.002 0.000 2.257 313 H HN 0.696 nan 8.280 nan 0.000 0.961 314 E N 1.751 122.046 120.200 0.157 0.000 2.371 314 E HA 0.218 4.568 4.350 -0.000 0.000 0.194 314 E C 0.680 177.262 176.600 -0.030 0.000 1.012 314 E CA 0.544 56.975 56.400 0.052 0.000 0.860 314 E CB 0.497 30.209 29.700 0.021 0.000 0.811 314 E HN 0.260 nan 8.360 nan 0.000 0.502 315 R N -0.398 120.085 120.500 -0.029 0.000 2.808 315 R HA 0.201 4.541 4.340 -0.000 0.000 0.254 315 R C -1.570 174.728 176.300 -0.002 0.000 1.145 315 R CA -0.134 55.893 56.100 -0.122 0.000 1.066 315 R CB 1.122 31.305 30.300 -0.196 0.000 1.268 315 R HN 0.053 nan 8.270 nan 0.000 0.447 316 S N 5.226 120.941 115.700 0.024 0.000 2.489 316 S HA 0.564 5.034 4.470 -0.000 0.000 0.291 316 S C -0.355 174.398 174.600 0.256 0.000 1.151 316 S CA -0.915 57.354 58.200 0.115 0.000 1.082 316 S CB 0.776 64.032 63.200 0.093 0.000 1.019 316 S HN 0.445 nan 8.310 nan 0.000 0.492 317 L N 3.307 124.644 121.223 0.189 0.000 2.322 317 L HA 0.896 5.236 4.340 -0.000 0.000 0.279 317 L C 1.069 177.953 176.870 0.022 0.000 1.036 317 L CA 0.349 55.301 54.840 0.186 0.000 0.807 317 L CB -0.304 41.803 42.059 0.081 0.000 1.226 317 L HN 1.016 nan 8.230 nan 0.000 0.433 318 G N 2.422 111.145 108.800 -0.129 0.000 4.365 318 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.214 318 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.214 318 G C 0.894 175.759 174.900 -0.058 0.000 1.450 318 G CA 0.218 45.202 45.100 -0.194 0.000 0.937 318 G HN 0.608 nan 8.290 nan 0.000 0.625 319 L N -0.814 120.425 121.223 0.027 0.000 2.042 319 L HA -0.021 4.318 4.340 -0.000 0.000 0.210 319 L C 2.602 179.530 176.870 0.097 0.000 1.076 319 L CA 2.489 57.358 54.840 0.048 0.000 0.749 319 L CB -0.525 41.576 42.059 0.069 0.000 0.893 319 L HN 0.584 nan 8.230 nan 0.000 0.432 320 W N 1.136 122.411 121.300 -0.042 0.000 2.418 320 W HA -0.138 4.522 4.660 -0.000 0.000 0.292 320 W C 2.500 178.738 176.519 -0.467 0.000 1.213 320 W CA 1.324 58.619 57.345 -0.084 0.000 1.283 320 W CB -0.526 28.950 29.460 0.026 0.000 1.119 320 W HN 0.177 nan 8.180 nan 0.000 0.542 321 H N 0.090 118.609 119.070 -0.919 0.000 2.421 321 H HA -0.018 4.538 4.556 -0.000 0.000 0.298 321 H C 2.319 176.966 175.328 -1.135 0.000 1.087 321 H CA 2.220 57.166 56.048 -1.837 0.000 1.330 321 H CB -0.984 28.070 29.762 -1.181 0.000 1.388 321 H HN 0.172 nan 8.280 nan 0.000 0.526 322 A N 0.773 123.341 122.820 -0.420 0.000 2.121 322 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 322 A C 1.966 179.460 177.584 -0.150 0.000 1.154 322 A CA 1.438 53.343 52.037 -0.221 0.000 0.679 322 A CB -0.185 18.750 19.000 -0.108 0.000 0.795 322 A HN 0.543 nan 8.150 nan 0.000 0.458 323 E N -1.043 119.064 120.200 -0.155 0.000 2.076 323 E HA -0.173 4.176 4.350 -0.000 0.000 0.190 323 E C 1.599 178.283 176.600 0.140 0.000 0.979 323 E CA 0.729 57.154 56.400 0.041 0.000 0.807 323 E CB -0.271 29.545 29.700 0.193 0.000 0.761 323 E HN 0.783 nan 8.360 nan 0.000 0.454 324 W N 1.921 123.156 121.300 -0.108 0.000 2.269 324 W HA -0.249 4.411 4.660 -0.000 0.000 0.336 324 W C 2.005 178.485 176.519 -0.065 0.000 1.333 324 W CA 1.156 58.430 57.345 -0.119 0.000 1.299 324 W CB -0.920 28.411 29.460 -0.215 0.000 1.126 324 W HN 0.135 nan 8.180 nan 0.000 0.474 325 E N -1.772 118.528 120.200 0.166 0.000 2.415 325 E HA 0.003 4.353 4.350 -0.000 0.000 0.197 325 E C 1.996 178.604 176.600 0.014 0.000 1.007 325 E CA 0.992 57.439 56.400 0.079 0.000 0.890 325 E CB -0.608 29.132 29.700 0.067 0.000 0.891 325 E HN 0.199 nan 8.360 nan 0.000 0.496 326 T N 2.260 116.822 114.554 0.013 0.000 2.701 326 T HA -0.054 4.296 4.350 -0.000 0.000 0.263 326 T C 2.019 176.690 174.700 -0.047 0.000 1.040 326 T CA 0.597 62.686 62.100 -0.018 0.000 1.147 326 T CB -0.218 68.644 68.868 -0.010 0.000 0.865 326 T HN 0.089 nan 8.240 nan 0.000 0.426 327 L N 0.933 122.143 121.223 -0.023 0.000 2.012 327 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 327 L C -0.701 176.037 176.870 -0.220 0.000 1.073 327 L CA 1.656 56.467 54.840 -0.048 0.000 0.748 327 L CB -0.976 41.113 42.059 0.050 0.000 0.891 327 L HN 0.214 nan 8.230 nan 0.000 0.431 328 P HA -0.136 nan 4.420 nan 0.000 0.216 328 P C 0.869 177.908 177.300 -0.435 0.000 1.153 328 P CA 1.296 63.957 63.100 -0.731 0.000 0.848 328 P CB 0.021 31.451 31.700 -0.451 0.000 0.787 329 D N -0.791 119.484 120.400 -0.208 0.000 2.123 329 D HA -0.146 4.493 4.640 -0.000 0.000 0.196 329 D C 1.916 178.135 176.300 -0.135 0.000 0.992 329 D CA 1.048 54.972 54.000 -0.126 0.000 0.833 329 D CB -0.735 40.019 40.800 -0.076 0.000 0.954 329 D HN 0.168 nan 8.370 nan 0.000 0.455 330 I N 0.200 120.682 120.570 -0.146 0.000 2.179 330 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 330 I C 2.469 178.502 176.117 -0.140 0.000 1.088 330 I CA 0.708 61.926 61.300 -0.136 0.000 1.357 330 I CB -0.299 37.621 38.000 -0.133 0.000 1.051 330 I HN 0.095 nan 8.210 nan 0.000 0.409 331 C N 0.237 119.432 119.300 -0.175 0.000 2.413 331 C HA -0.194 4.266 4.460 -0.000 0.000 0.276 331 C C 3.166 178.145 174.990 -0.018 0.000 1.248 331 C CA 0.664 59.629 59.018 -0.088 0.000 1.742 331 C CB -1.091 26.592 27.740 -0.094 0.000 2.017 331 C HN 0.639 nan 8.230 nan 0.000 0.481 332 C N -0.522 118.746 119.300 -0.054 0.000 2.453 332 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 332 C C 2.520 177.522 174.990 0.020 0.000 1.262 332 C CA 0.575 59.615 59.018 0.036 0.000 1.718 332 C CB -1.468 26.299 27.740 0.044 0.000 2.031 332 C HN 0.536 nan 8.230 nan 0.000 0.480 333 L N 0.879 122.082 121.223 -0.033 0.000 2.013 333 L HA -0.129 4.210 4.340 -0.000 0.000 0.212 333 L C 2.553 179.393 176.870 -0.050 0.000 1.073 333 L CA 1.845 56.647 54.840 -0.064 0.000 0.753 333 L CB -1.092 40.899 42.059 -0.114 0.000 0.890 333 L HN 0.190 nan 8.230 nan 0.000 0.432 334 V N -0.768 119.116 119.914 -0.051 0.000 2.515 334 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 334 V C 2.625 178.722 176.094 0.005 0.000 1.058 334 V CA 1.472 63.748 62.300 -0.040 0.000 1.064 334 V CB -0.803 30.978 31.823 -0.070 0.000 0.675 334 V HN 0.684 nan 8.190 nan 0.000 0.461 335 S N 1.139 116.860 115.700 0.035 0.000 2.382 335 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 335 S C 2.072 176.712 174.600 0.068 0.000 1.027 335 S CA 1.487 59.728 58.200 0.068 0.000 0.991 335 S CB -0.760 62.502 63.200 0.104 0.000 0.823 335 S HN 0.524 nan 8.310 nan 0.000 0.469 336 G N 1.026 109.864 108.800 0.063 0.000 2.421 336 G HA2 0.189 4.149 3.960 -0.000 0.000 0.217 336 G HA3 0.189 4.149 3.960 -0.000 0.000 0.217 336 G C 1.629 176.562 174.900 0.055 0.000 1.143 336 G CA 0.645 45.791 45.100 0.076 0.000 0.784 336 G HN 0.776 nan 8.290 nan 0.000 0.541 337 A N 0.462 123.298 122.820 0.026 0.000 1.897 337 A HA 0.222 4.542 4.320 -0.000 0.000 0.215 337 A C 2.383 180.000 177.584 0.055 0.000 1.181 337 A CA 0.863 52.914 52.037 0.025 0.000 0.620 337 A CB -0.354 18.644 19.000 -0.003 0.000 0.821 337 A HN 0.323 nan 8.150 nan 0.000 0.443 338 L N -0.857 120.396 121.223 0.050 0.000 2.046 338 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 338 L C 2.813 179.725 176.870 0.071 0.000 1.077 338 L CA 1.740 56.614 54.840 0.057 0.000 0.747 338 L CB -0.414 41.675 42.059 0.050 0.000 0.896 338 L HN 0.473 nan 8.230 nan 0.000 0.432 339 R N -0.167 120.378 120.500 0.074 0.000 2.080 339 R HA -0.258 4.082 4.340 -0.000 0.000 0.236 339 R C 2.341 178.697 176.300 0.092 0.000 1.137 339 R CA 1.991 58.140 56.100 0.082 0.000 0.943 339 R CB -0.170 30.183 30.300 0.087 0.000 0.846 339 R HN 0.217 nan 8.270 nan 0.000 0.431 340 Q N -0.030 119.828 119.800 0.097 0.000 2.170 340 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 340 Q C 1.802 177.878 176.000 0.126 0.000 0.976 340 Q CA 1.920 57.788 55.803 0.108 0.000 0.858 340 Q CB -0.188 28.609 28.738 0.098 0.000 0.907 340 Q HN 0.486 nan 8.270 nan 0.000 0.433 341 A N -0.273 122.632 122.820 0.142 0.000 1.969 341 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 341 A C 1.997 179.696 177.584 0.192 0.000 1.169 341 A CA 1.649 53.821 52.037 0.225 0.000 0.635 341 A CB -0.561 18.560 19.000 0.202 0.000 0.810 341 A HN 0.412 nan 8.150 nan 0.000 0.445 342 Q N 0.003 119.874 119.800 0.117 0.000 2.046 342 Q HA -0.096 4.243 4.340 -0.000 0.000 0.200 342 Q C 1.862 177.923 176.000 0.101 0.000 0.975 342 Q CA 2.172 58.028 55.803 0.089 0.000 0.836 342 Q CB -0.670 28.110 28.738 0.069 0.000 0.896 342 Q HN 0.304 nan 8.270 nan 0.000 0.428 343 V N 1.441 121.418 119.914 0.104 0.000 2.252 343 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 343 V C 2.350 178.509 176.094 0.108 0.000 1.056 343 V CA 2.124 64.482 62.300 0.097 0.000 1.022 343 V CB -0.879 31.000 31.823 0.093 0.000 0.641 343 V HN 0.694 nan 8.190 nan 0.000 0.445 344 I N -0.349 120.300 120.570 0.131 0.000 2.439 344 I HA -0.058 4.112 4.170 -0.000 0.000 0.251 344 I C 2.325 178.555 176.117 0.187 0.000 1.139 344 I CA 1.696 63.076 61.300 0.133 0.000 1.438 344 I CB -0.476 37.573 38.000 0.083 0.000 1.085 344 I HN 0.172 nan 8.210 nan 0.000 0.427 345 A N 2.308 125.270 122.820 0.236 0.000 1.877 345 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 345 A C 2.352 180.010 177.584 0.124 0.000 1.186 345 A CA 1.890 54.051 52.037 0.206 0.000 0.620 345 A CB -0.847 18.209 19.000 0.092 0.000 0.822 345 A HN 0.780 nan 8.150 nan 0.000 0.443 346 E N -0.984 119.275 120.200 0.098 0.000 2.481 346 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 346 E C 1.115 177.766 176.600 0.085 0.000 1.047 346 E CA 0.751 57.199 56.400 0.080 0.000 0.867 346 E CB -0.126 29.613 29.700 0.064 0.000 0.858 346 E HN 0.421 nan 8.360 nan 0.000 0.513 347 G N 1.519 110.374 108.800 0.093 0.000 3.695 347 G HA2 0.240 4.200 3.960 -0.000 0.000 0.277 347 G HA3 0.240 4.200 3.960 -0.000 0.000 0.277 347 G C 0.113 175.070 174.900 0.095 0.000 1.001 347 G CA -0.437 44.715 45.100 0.087 0.000 0.837 347 G HN 0.103 nan 8.290 nan 0.000 0.492 348 M N 0.504 120.166 119.600 0.103 0.000 2.245 348 M HA 0.497 4.977 4.480 -0.000 0.000 0.344 348 M C -0.326 176.038 176.300 0.107 0.000 1.170 348 M CA -0.193 55.166 55.300 0.099 0.000 1.135 348 M CB 0.179 32.824 32.600 0.075 0.000 1.574 348 M HN -0.063 nan 8.290 nan 0.000 0.452 349 E N 1.716 122.006 120.200 0.150 0.000 2.227 349 E HA 0.547 4.897 4.350 -0.000 0.000 0.282 349 E C -1.054 175.658 176.600 0.187 0.000 1.015 349 E CA -0.771 55.738 56.400 0.181 0.000 0.823 349 E CB 1.521 31.351 29.700 0.217 0.000 1.081 349 E HN 0.555 nan 8.360 nan 0.000 0.396 350 V N 2.682 122.674 119.914 0.129 0.000 2.513 350 V HA 0.172 4.292 4.120 -0.000 0.000 0.299 350 V C -0.315 175.857 176.094 0.130 0.000 1.035 350 V CA -0.690 61.651 62.300 0.068 0.000 0.889 350 V CB 1.806 33.600 31.823 -0.047 0.000 0.988 350 V HN 0.666 nan 8.190 nan 0.000 0.440 351 D N 3.119 123.590 120.400 0.118 0.000 2.458 351 D HA 0.470 5.110 4.640 -0.000 0.000 0.258 351 D C 0.834 177.180 176.300 0.077 0.000 1.134 351 D CA -0.092 53.987 54.000 0.132 0.000 0.915 351 D CB 1.642 42.566 40.800 0.207 0.000 1.028 351 D HN 0.572 nan 8.370 nan 0.000 0.508 352 A N 2.817 125.682 122.820 0.075 0.000 1.972 352 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 352 A C 2.094 179.708 177.584 0.050 0.000 1.169 352 A CA 1.733 53.806 52.037 0.061 0.000 0.635 352 A CB -0.190 18.856 19.000 0.077 0.000 0.810 352 A HN 0.542 nan 8.150 nan 0.000 0.446 353 A N -0.276 122.577 122.820 0.054 0.000 1.898 353 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 353 A C 2.177 179.788 177.584 0.045 0.000 1.181 353 A CA 1.974 54.038 52.037 0.046 0.000 0.620 353 A CB -0.391 18.637 19.000 0.046 0.000 0.819 353 A HN 0.424 nan 8.150 nan 0.000 0.442 354 R N -0.136 120.396 120.500 0.053 0.000 2.092 354 R HA 0.040 4.379 4.340 -0.000 0.000 0.231 354 R C 1.965 178.286 176.300 0.035 0.000 1.119 354 R CA 1.937 58.067 56.100 0.050 0.000 0.970 354 R CB -0.721 29.621 30.300 0.069 0.000 0.864 354 R HN 0.582 nan 8.270 nan 0.000 0.440 355 M N -0.138 119.477 119.600 0.025 0.000 2.117 355 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 355 M C 2.174 178.485 176.300 0.017 0.000 1.065 355 M CA 1.542 56.847 55.300 0.008 0.000 1.114 355 M CB -0.255 32.345 32.600 0.000 0.000 1.361 355 M HN 0.001 nan 8.290 nan 0.000 0.408 356 R N 0.024 120.541 120.500 0.028 0.000 2.073 356 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 356 R C 2.202 178.529 176.300 0.046 0.000 1.134 356 R CA 1.486 57.607 56.100 0.034 0.000 0.952 356 R CB -0.690 29.631 30.300 0.035 0.000 0.850 356 R HN 0.410 nan 8.270 nan 0.000 0.433 357 R N 0.585 121.113 120.500 0.046 0.000 2.083 357 R HA -0.094 4.246 4.340 -0.000 0.000 0.237 357 R C 1.836 178.176 176.300 0.067 0.000 1.137 357 R CA 1.604 57.737 56.100 0.054 0.000 0.951 357 R CB -0.116 30.212 30.300 0.047 0.000 0.851 357 R HN 0.212 nan 8.270 nan 0.000 0.434 358 N N 0.673 119.413 118.700 0.066 0.000 2.223 358 N HA -0.162 4.578 4.740 -0.000 0.000 0.185 358 N C 1.793 177.375 175.510 0.120 0.000 1.016 358 N CA 0.839 53.951 53.050 0.103 0.000 0.863 358 N CB -0.183 38.354 38.487 0.083 0.000 0.983 358 N HN 0.235 nan 8.380 nan 0.000 0.429 359 L N 1.075 122.332 121.223 0.056 0.000 2.013 359 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 359 L C 0.520 177.444 176.870 0.091 0.000 1.073 359 L CA 1.305 56.169 54.840 0.040 0.000 0.753 359 L CB -0.216 41.863 42.059 0.033 0.000 0.890 359 L HN 0.258 nan 8.230 nan 0.000 0.432 360 D N -0.553 119.908 120.400 0.101 0.000 3.179 360 D HA 0.014 4.654 4.640 -0.000 0.000 0.267 360 D C 1.296 177.630 176.300 0.056 0.000 1.348 360 D CA -0.159 53.894 54.000 0.089 0.000 0.897 360 D CB 0.863 41.776 40.800 0.189 0.000 1.062 360 D HN 0.154 nan 8.370 nan 0.000 0.494 361 L N 1.366 122.641 121.223 0.088 0.000 2.270 361 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 361 L C 1.950 178.809 176.870 -0.018 0.000 1.104 361 L CA 1.386 56.252 54.840 0.044 0.000 0.804 361 L CB -0.289 41.814 42.059 0.074 0.000 0.937 361 L HN 0.206 nan 8.230 nan 0.000 0.450 362 T N -3.796 110.759 114.554 0.002 0.000 3.163 362 T HA 0.108 4.458 4.350 -0.000 0.000 0.252 362 T C 0.572 175.200 174.700 -0.120 0.000 1.056 362 T CA -0.248 61.822 62.100 -0.049 0.000 0.947 362 T CB -0.336 68.533 68.868 0.001 0.000 1.016 362 T HN 0.399 nan 8.240 nan 0.000 0.554 363 Q N 0.547 120.234 119.800 -0.188 0.000 2.439 363 Q HA -0.224 4.116 4.340 -0.000 0.000 0.325 363 Q C 1.235 176.828 176.000 -0.679 0.000 1.372 363 Q CA 0.492 55.996 55.803 -0.499 0.000 0.909 363 Q CB -2.025 26.488 28.738 -0.375 0.000 1.167 363 Q HN 1.000 nan 8.270 nan 0.000 0.418 364 G N -0.859 107.714 108.800 -0.379 0.000 2.212 364 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.266 364 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.266 364 G C 0.631 175.480 174.900 -0.085 0.000 0.978 364 G CA 0.471 45.482 45.100 -0.149 0.000 0.632 364 G HN 0.440 nan 8.290 nan 0.000 0.537 365 L N -0.038 121.125 121.223 -0.101 0.000 2.265 365 L HA 0.024 4.364 4.340 -0.000 0.000 0.215 365 L C 2.696 179.550 176.870 -0.027 0.000 1.117 365 L CA 1.211 56.015 54.840 -0.061 0.000 0.782 365 L CB -0.323 41.700 42.059 -0.061 0.000 0.914 365 L HN 0.249 nan 8.230 nan 0.000 0.441 366 V N -0.339 119.573 119.914 -0.003 0.000 3.380 366 V HA -0.106 4.014 4.120 -0.000 0.000 0.268 366 V C 1.533 177.638 176.094 0.018 0.000 1.168 366 V CA 0.902 63.221 62.300 0.031 0.000 1.156 366 V CB 0.269 32.132 31.823 0.068 0.000 0.785 366 V HN 0.277 nan 8.190 nan 0.000 0.487 367 L N -0.459 120.749 121.223 -0.024 0.000 2.808 367 L HA 0.480 4.820 4.340 -0.000 0.000 0.246 367 L C 2.168 178.950 176.870 -0.147 0.000 1.153 367 L CA 1.034 55.815 54.840 -0.099 0.000 0.956 367 L CB -0.355 41.666 42.059 -0.063 0.000 1.270 367 L HN 0.228 nan 8.230 nan 0.000 0.528 368 A N -0.255 122.515 122.820 -0.084 0.000 1.917 368 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 368 A C 2.233 179.761 177.584 -0.093 0.000 1.182 368 A CA 2.129 54.120 52.037 -0.076 0.000 0.633 368 A CB -0.372 18.599 19.000 -0.048 0.000 0.819 368 A HN 0.542 nan 8.150 nan 0.000 0.448 369 E N -0.110 120.034 120.200 -0.092 0.000 2.077 369 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 369 E C 2.069 178.562 176.600 -0.178 0.000 0.989 369 E CA 1.124 57.486 56.400 -0.065 0.000 0.800 369 E CB -0.301 29.423 29.700 0.039 0.000 0.746 369 E HN 0.540 nan 8.360 nan 0.000 0.452 370 A N 0.512 123.021 122.820 -0.518 0.000 1.972 370 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 370 A C 2.338 179.764 177.584 -0.264 0.000 1.169 370 A CA 1.352 52.962 52.037 -0.712 0.000 0.635 370 A CB -0.385 17.879 19.000 -1.228 0.000 0.810 370 A HN 0.244 nan 8.150 nan 0.000 0.446 371 V N -0.873 118.928 119.914 -0.188 0.000 2.488 371 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 371 V C 2.734 178.796 176.094 -0.052 0.000 1.046 371 V CA 1.940 64.183 62.300 -0.095 0.000 1.053 371 V CB -0.380 31.398 31.823 -0.075 0.000 0.679 371 V HN 0.654 nan 8.190 nan 0.000 0.458 372 S N 0.681 116.354 115.700 -0.044 0.000 2.374 372 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 372 S C 2.009 176.619 174.600 0.018 0.000 1.037 372 S CA 2.223 60.424 58.200 0.001 0.000 1.024 372 S CB -0.427 62.787 63.200 0.023 0.000 0.861 372 S HN 0.667 nan 8.310 nan 0.000 0.456 373 I N -0.878 119.701 120.570 0.015 0.000 2.286 373 I HA -0.017 4.153 4.170 -0.000 0.000 0.245 373 I C 2.081 178.212 176.117 0.023 0.000 1.104 373 I CA 1.155 62.475 61.300 0.034 0.000 1.397 373 I CB -0.841 37.197 38.000 0.064 0.000 1.072 373 I HN 0.129 nan 8.210 nan 0.000 0.417 374 V N 1.979 121.899 119.914 0.009 0.000 2.307 374 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 374 V C 2.592 178.689 176.094 0.004 0.000 1.045 374 V CA 1.777 64.080 62.300 0.004 0.000 1.024 374 V CB -0.616 31.202 31.823 -0.009 0.000 0.651 374 V HN 0.449 nan 8.190 nan 0.000 0.449 375 L N 0.005 121.229 121.223 0.002 0.000 2.549 375 L HA -0.045 4.295 4.340 -0.000 0.000 0.229 375 L C 2.471 179.352 176.870 0.019 0.000 1.158 375 L CA 0.762 55.606 54.840 0.007 0.000 0.842 375 L CB -0.623 41.438 42.059 0.003 0.000 0.952 375 L HN 0.376 nan 8.230 nan 0.000 0.452 376 A N 0.477 123.311 122.820 0.023 0.000 1.929 376 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 376 A C 2.265 179.863 177.584 0.023 0.000 1.176 376 A CA 1.288 53.343 52.037 0.029 0.000 0.628 376 A CB -0.171 18.848 19.000 0.031 0.000 0.816 376 A HN 0.596 nan 8.150 nan 0.000 0.444 377 Q N -1.724 118.086 119.800 0.018 0.000 2.134 377 Q HA 0.037 4.376 4.340 -0.000 0.000 0.195 377 Q C 1.967 177.974 176.000 0.011 0.000 0.958 377 Q CA 0.257 56.069 55.803 0.014 0.000 0.840 377 Q CB -0.322 28.424 28.738 0.013 0.000 0.918 377 Q HN 0.300 nan 8.270 nan 0.000 0.467 378 R N 0.583 121.089 120.500 0.009 0.000 2.117 378 R HA 0.017 4.357 4.340 -0.000 0.000 0.243 378 R C 1.221 177.527 176.300 0.010 0.000 1.143 378 R CA 1.032 57.136 56.100 0.007 0.000 0.968 378 R CB -0.358 29.944 30.300 0.003 0.000 0.863 378 R HN 0.342 nan 8.270 nan 0.000 0.444 379 L N -3.007 118.225 121.223 0.014 0.000 2.539 379 L HA 0.488 4.828 4.340 -0.000 0.000 0.251 379 L C 0.582 177.465 176.870 0.022 0.000 1.382 379 L CA -0.890 53.961 54.840 0.018 0.000 1.448 379 L CB 0.490 42.562 42.059 0.022 0.000 1.824 379 L HN -0.035 nan 8.230 nan 0.000 0.544 380 G N -0.577 108.240 108.800 0.028 0.000 2.356 380 G HA2 0.342 4.302 3.960 -0.000 0.000 0.298 380 G HA3 0.342 4.302 3.960 -0.000 0.000 0.298 380 G C 0.661 175.585 174.900 0.040 0.000 1.145 380 G CA -0.416 44.701 45.100 0.029 0.000 0.850 380 G HN 0.683 nan 8.290 nan 0.000 0.487 381 R N 1.103 121.622 120.500 0.033 0.000 2.159 381 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 381 R C 1.225 177.559 176.300 0.058 0.000 1.131 381 R CA 1.687 57.810 56.100 0.038 0.000 0.982 381 R CB -0.081 30.230 30.300 0.017 0.000 0.868 381 R HN 0.511 nan 8.270 nan 0.000 0.453 382 D N 0.849 121.279 120.400 0.050 0.000 2.162 382 D HA -0.115 4.525 4.640 -0.000 0.000 0.205 382 D C 1.941 178.309 176.300 0.113 0.000 0.964 382 D CA 0.703 54.743 54.000 0.066 0.000 0.847 382 D CB 0.025 40.845 40.800 0.032 0.000 0.988 382 D HN 0.305 nan 8.370 nan 0.000 0.480 383 R N 0.278 120.831 120.500 0.088 0.000 2.075 383 R HA 0.006 4.346 4.340 -0.000 0.000 0.226 383 R C 2.256 178.631 176.300 0.125 0.000 1.114 383 R CA 1.125 57.286 56.100 0.102 0.000 0.972 383 R CB -0.146 30.193 30.300 0.065 0.000 0.869 383 R HN 0.074 nan 8.270 nan 0.000 0.437 384 A N 0.346 123.225 122.820 0.098 0.000 1.902 384 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 384 A C 1.916 179.556 177.584 0.093 0.000 1.181 384 A CA 1.903 53.985 52.037 0.076 0.000 0.623 384 A CB -0.928 18.108 19.000 0.061 0.000 0.818 384 A HN 0.597 nan 8.150 nan 0.000 0.443 385 H N -0.836 118.257 119.070 0.039 0.000 2.265 385 H HA -0.263 4.293 4.556 0.000 0.000 0.295 385 H C 2.000 177.356 175.328 0.047 0.000 1.084 385 H CA 2.617 58.687 56.048 0.036 0.000 1.261 385 H CB -0.549 29.239 29.762 0.043 0.000 1.360 385 H HN 0.729 nan 8.280 nan 0.000 0.487 386 H N -0.534 118.515 119.070 -0.034 0.000 2.267 386 H HA -0.131 4.425 4.556 -0.000 0.000 0.297 386 H C 2.268 177.540 175.328 -0.093 0.000 1.080 386 H CA 1.926 57.919 56.048 -0.091 0.000 1.278 386 H CB -0.724 29.035 29.762 -0.006 0.000 1.365 386 H HN 0.378 nan 8.280 nan 0.000 0.489 387 L N -0.325 120.810 121.223 -0.147 0.000 2.189 387 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 387 L C 2.167 178.925 176.870 -0.187 0.000 1.097 387 L CA 1.380 56.109 54.840 -0.184 0.000 0.764 387 L CB -0.730 41.312 42.059 -0.027 0.000 0.900 387 L HN 0.452 nan 8.230 nan 0.000 0.436 388 L N -0.840 120.287 121.223 -0.161 0.000 2.102 388 L HA -0.072 4.268 4.340 -0.000 0.000 0.202 388 L C 2.364 179.127 176.870 -0.177 0.000 1.076 388 L CA 1.503 56.260 54.840 -0.138 0.000 0.761 388 L CB -0.566 41.436 42.059 -0.094 0.000 0.921 388 L HN 0.319 nan 8.230 nan 0.000 0.444 389 E N -0.915 119.133 120.200 -0.253 0.000 2.153 389 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 389 E C 1.986 178.465 176.600 -0.202 0.000 0.988 389 E CA 1.159 57.422 56.400 -0.230 0.000 0.811 389 E CB -0.106 29.427 29.700 -0.280 0.000 0.746 389 E HN 0.608 nan 8.360 nan 0.000 0.466 390 Q N 0.345 119.982 119.800 -0.272 0.000 2.046 390 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 390 Q C 2.152 178.064 176.000 -0.147 0.000 0.975 390 Q CA 1.554 57.215 55.803 -0.238 0.000 0.836 390 Q CB -0.068 28.461 28.738 -0.348 0.000 0.896 390 Q HN 0.316 nan 8.270 nan 0.000 0.428 391 C N -0.264 118.956 119.300 -0.133 0.000 2.435 391 C HA -0.099 4.361 4.460 -0.000 0.000 0.279 391 C C 2.858 177.804 174.990 -0.073 0.000 1.321 391 C CA 0.253 59.219 59.018 -0.086 0.000 1.752 391 C CB -1.008 26.689 27.740 -0.072 0.000 1.959 391 C HN 0.705 nan 8.230 nan 0.000 0.500 392 C N -0.378 118.870 119.300 -0.086 0.000 2.489 392 C HA -0.082 4.378 4.460 -0.000 0.000 0.279 392 C C 3.387 178.336 174.990 -0.069 0.000 1.266 392 C CA 1.740 60.713 59.018 -0.074 0.000 1.707 392 C CB -1.516 26.176 27.740 -0.079 0.000 2.059 392 C HN 0.732 nan 8.230 nan 0.000 0.481 393 Q N 0.426 120.180 119.800 -0.076 0.000 2.197 393 Q HA -0.237 4.103 4.340 -0.000 0.000 0.207 393 Q C 2.159 178.128 176.000 -0.052 0.000 0.984 393 Q CA 2.959 58.725 55.803 -0.063 0.000 0.869 393 Q CB -0.979 27.718 28.738 -0.068 0.000 0.906 393 Q HN 0.824 nan 8.270 nan 0.000 0.426 394 R N -0.143 120.324 120.500 -0.054 0.000 2.066 394 R HA 0.499 4.838 4.340 -0.000 0.000 0.224 394 R C 2.763 179.042 176.300 -0.035 0.000 1.122 394 R CA 1.782 57.857 56.100 -0.041 0.000 0.974 394 R CB -1.291 28.985 30.300 -0.041 0.000 0.871 394 R HN 1.034 nan 8.270 nan 0.000 0.435 395 A N 0.517 123.314 122.820 -0.038 0.000 2.032 395 A HA -0.001 4.319 4.320 -0.000 0.000 0.221 395 A C 2.442 180.003 177.584 -0.039 0.000 1.165 395 A CA 1.826 53.843 52.037 -0.034 0.000 0.645 395 A CB -0.411 18.563 19.000 -0.043 0.000 0.807 395 A HN 0.347 nan 8.150 nan 0.000 0.453 396 V N -0.850 119.038 119.914 -0.043 0.000 2.341 396 V HA -0.042 4.078 4.120 -0.000 0.000 0.240 396 V C 2.924 178.999 176.094 -0.033 0.000 1.035 396 V CA 1.372 63.647 62.300 -0.042 0.000 1.033 396 V CB -1.246 30.550 31.823 -0.045 0.000 0.678 396 V HN 0.609 nan 8.190 nan 0.000 0.464 397 A N 1.489 124.291 122.820 -0.031 0.000 1.849 397 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 397 A C 1.921 179.493 177.584 -0.020 0.000 1.225 397 A CA 2.114 54.136 52.037 -0.024 0.000 0.653 397 A CB -0.943 18.043 19.000 -0.024 0.000 0.844 397 A HN 0.766 nan 8.150 nan 0.000 0.453 398 E N 1.603 121.793 120.200 -0.018 0.000 2.428 398 E HA 0.013 4.362 4.350 -0.000 0.000 0.199 398 E C -0.260 176.333 176.600 -0.011 0.000 1.172 398 E CA 0.326 56.719 56.400 -0.012 0.000 0.941 398 E CB -1.067 28.627 29.700 -0.010 0.000 1.001 398 E HN 0.727 nan 8.360 nan 0.000 0.501 399 Q N 1.139 120.930 119.800 -0.016 0.000 2.740 399 Q HA -0.288 4.052 4.340 -0.000 0.000 0.132 399 Q C -0.670 175.326 176.000 -0.007 0.000 1.427 399 Q CA 1.089 56.882 55.803 -0.017 0.000 0.563 399 Q CB -1.077 27.650 28.738 -0.018 0.000 0.722 399 Q HN 0.659 nan 8.270 nan 0.000 0.328 400 R N -0.082 120.415 120.500 -0.004 0.000 2.687 400 R HA 0.372 4.712 4.340 -0.000 0.000 0.265 400 R C -0.995 175.327 176.300 0.037 0.000 1.048 400 R CA -1.148 54.966 56.100 0.024 0.000 0.884 400 R CB 0.513 30.831 30.300 0.030 0.000 1.258 400 R HN 0.478 nan 8.270 nan 0.000 0.469 401 H N 1.575 120.640 119.070 -0.008 0.000 3.119 401 H HA -0.051 4.505 4.556 -0.000 0.000 0.334 401 H C 0.594 175.913 175.328 -0.014 0.000 1.042 401 H CA 1.072 57.115 56.048 -0.008 0.000 1.354 401 H CB 0.972 30.732 29.762 -0.003 0.000 1.285 401 H HN 0.645 nan 8.280 nan 0.000 0.601 402 L N 3.900 125.184 121.223 0.103 0.000 2.141 402 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 402 L C 2.587 179.567 176.870 0.183 0.000 1.094 402 L CA 1.072 55.974 54.840 0.103 0.000 0.763 402 L CB -0.131 41.936 42.059 0.013 0.000 0.908 402 L HN 0.545 nan 8.230 nan 0.000 0.437 403 R N 0.590 121.313 120.500 0.372 0.000 2.091 403 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 403 R C 2.088 178.410 176.300 0.036 0.000 1.136 403 R CA 2.028 58.183 56.100 0.091 0.000 0.959 403 R CB -0.690 29.525 30.300 -0.141 0.000 0.856 403 R HN 0.410 nan 8.270 nan 0.000 0.437 404 A N -0.310 122.543 122.820 0.056 0.000 1.855 404 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 404 A C 2.355 179.952 177.584 0.022 0.000 1.191 404 A CA 1.694 53.748 52.037 0.027 0.000 0.613 404 A CB -0.861 18.162 19.000 0.038 0.000 0.829 404 A HN 0.176 nan 8.150 nan 0.000 0.442 405 V N 0.244 120.176 119.914 0.030 0.000 2.380 405 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 405 V C 2.492 178.585 176.094 -0.002 0.000 1.063 405 V CA 2.042 64.347 62.300 0.008 0.000 1.055 405 V CB -0.779 31.044 31.823 -0.001 0.000 0.657 405 V HN 0.545 nan 8.190 nan 0.000 0.455 406 L N 0.041 121.266 121.223 0.003 0.000 2.240 406 L HA 0.044 4.384 4.340 -0.000 0.000 0.211 406 L C 2.548 179.414 176.870 -0.008 0.000 1.106 406 L CA 1.246 56.082 54.840 -0.007 0.000 0.793 406 L CB -0.854 41.202 42.059 -0.005 0.000 0.927 406 L HN 0.455 nan 8.230 nan 0.000 0.446 407 G N -0.660 108.136 108.800 -0.005 0.000 2.448 407 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 407 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 407 G C 0.812 175.707 174.900 -0.008 0.000 1.135 407 G CA 0.433 45.528 45.100 -0.009 0.000 0.784 407 G HN 0.282 nan 8.290 nan 0.000 0.543 408 D N -0.077 120.319 120.400 -0.006 0.000 2.342 408 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 408 D C 0.292 176.587 176.300 -0.008 0.000 1.101 408 D CA 0.083 54.079 54.000 -0.006 0.000 0.837 408 D CB 0.635 41.432 40.800 -0.005 0.000 0.938 408 D HN 0.326 nan 8.370 nan 0.000 0.508 409 E N 0.983 121.176 120.200 -0.010 0.000 2.055 409 E HA 0.232 4.582 4.350 -0.000 0.000 0.274 409 E C -1.946 174.649 176.600 -0.008 0.000 0.949 409 E CA -2.319 54.074 56.400 -0.012 0.000 0.775 409 E CB 1.621 31.310 29.700 -0.018 0.000 1.097 409 E HN -0.179 nan 8.360 nan 0.000 0.404 410 P HA -0.250 nan 4.420 nan 0.000 0.214 410 P C 0.722 178.022 177.300 -0.000 0.000 1.172 410 P CA 1.618 64.717 63.100 -0.001 0.000 0.925 410 P CB 0.266 31.967 31.700 0.002 0.000 0.793 411 Q N -0.962 118.840 119.800 0.002 0.000 2.096 411 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 411 Q C 2.127 178.127 176.000 0.000 0.000 0.982 411 Q CA 1.467 57.273 55.803 0.005 0.000 0.850 411 Q CB -1.381 27.364 28.738 0.012 0.000 0.901 411 Q HN 0.114 nan 8.270 nan 0.000 0.422 412 V N 0.317 120.228 119.914 -0.005 0.000 2.283 412 V HA -0.223 3.897 4.120 -0.000 0.000 0.243 412 V C 2.080 178.169 176.094 -0.009 0.000 1.039 412 V CA 1.872 64.168 62.300 -0.008 0.000 1.016 412 V CB -0.856 30.959 31.823 -0.014 0.000 0.650 412 V HN 0.502 nan 8.190 nan 0.000 0.449 413 S N 0.804 116.499 115.700 -0.008 0.000 2.507 413 S HA 0.026 4.496 4.470 -0.000 0.000 0.235 413 S C 1.786 176.382 174.600 -0.007 0.000 0.988 413 S CA 0.998 59.192 58.200 -0.009 0.000 0.944 413 S CB -0.245 62.950 63.200 -0.008 0.000 0.762 413 S HN 0.550 nan 8.310 nan 0.000 0.526 414 A N 0.830 123.647 122.820 -0.005 0.000 2.147 414 A HA 0.246 4.566 4.320 -0.000 0.000 0.211 414 A C 2.131 179.713 177.584 -0.003 0.000 1.160 414 A CA 0.303 52.338 52.037 -0.003 0.000 0.781 414 A CB -0.012 18.988 19.000 -0.001 0.000 0.842 414 A HN 0.346 nan 8.150 nan 0.000 0.475 415 E N -0.854 119.343 120.200 -0.004 0.000 2.340 415 E HA 0.274 4.624 4.350 -0.000 0.000 0.198 415 E C -0.316 176.280 176.600 -0.008 0.000 0.961 415 E CA 0.426 56.823 56.400 -0.004 0.000 0.905 415 E CB 0.396 30.095 29.700 -0.002 0.000 0.884 415 E HN 0.506 nan 8.360 nan 0.000 0.491 416 L N 1.408 122.625 121.223 -0.010 0.000 2.381 416 L HA 0.274 4.614 4.340 -0.000 0.000 0.274 416 L C 0.352 177.212 176.870 -0.016 0.000 0.988 416 L CA -0.779 54.052 54.840 -0.015 0.000 0.824 416 L CB 2.016 44.065 42.059 -0.018 0.000 1.263 416 L HN -0.098 nan 8.230 nan 0.000 0.410 417 S N 1.152 116.842 115.700 -0.017 0.000 2.606 417 S HA 0.167 4.637 4.470 -0.000 0.000 0.257 417 S C 1.301 175.890 174.600 -0.020 0.000 1.327 417 S CA 0.016 58.206 58.200 -0.017 0.000 0.984 417 S CB 1.186 64.376 63.200 -0.017 0.000 0.941 417 S HN 0.792 nan 8.310 nan 0.000 0.576 418 G N -0.119 108.670 108.800 -0.018 0.000 2.443 418 G HA2 0.045 4.005 3.960 -0.000 0.000 0.219 418 G HA3 0.045 4.005 3.960 -0.000 0.000 0.219 418 G C 1.449 176.335 174.900 -0.024 0.000 1.131 418 G CA 0.877 45.965 45.100 -0.020 0.000 0.775 418 G HN 0.994 nan 8.290 nan 0.000 0.547 419 E N 1.051 121.237 120.200 -0.023 0.000 2.152 419 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 419 E C 2.063 178.640 176.600 -0.038 0.000 0.983 419 E CA 1.362 57.746 56.400 -0.027 0.000 0.818 419 E CB -0.518 29.168 29.700 -0.023 0.000 0.758 419 E HN 0.676 nan 8.360 nan 0.000 0.467 420 E N -0.107 120.070 120.200 -0.038 0.000 2.072 420 E HA 0.033 4.383 4.350 -0.000 0.000 0.190 420 E C 2.296 178.868 176.600 -0.048 0.000 0.982 420 E CA 0.835 57.206 56.400 -0.048 0.000 0.803 420 E CB -0.067 29.610 29.700 -0.038 0.000 0.755 420 E HN 0.448 nan 8.360 nan 0.000 0.453 421 L N 1.153 122.355 121.223 -0.036 0.000 2.141 421 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 421 L C 1.833 178.685 176.870 -0.031 0.000 1.094 421 L CA 0.756 55.578 54.840 -0.031 0.000 0.763 421 L CB -0.294 41.750 42.059 -0.025 0.000 0.908 421 L HN 0.069 nan 8.230 nan 0.000 0.437 422 D N -0.162 120.219 120.400 -0.032 0.000 2.149 422 D HA -0.197 4.443 4.640 -0.000 0.000 0.198 422 D C 2.240 178.534 176.300 -0.009 0.000 0.990 422 D CA 1.026 55.011 54.000 -0.025 0.000 0.839 422 D CB -0.048 40.739 40.800 -0.022 0.000 0.948 422 D HN 0.179 nan 8.370 nan 0.000 0.460 423 R N 0.179 120.653 120.500 -0.043 0.000 2.062 423 R HA 0.024 4.364 4.340 -0.000 0.000 0.229 423 R C 2.395 178.667 176.300 -0.046 0.000 1.128 423 R CA 0.483 56.525 56.100 -0.095 0.000 0.960 423 R CB -0.294 29.851 30.300 -0.258 0.000 0.855 423 R HN 0.167 nan 8.270 nan 0.000 0.432 424 L N 0.742 121.934 121.223 -0.052 0.000 2.127 424 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 424 L C 1.637 178.497 176.870 -0.017 0.000 1.089 424 L CA 0.680 55.496 54.840 -0.039 0.000 0.757 424 L CB -0.130 41.897 42.059 -0.054 0.000 0.899 424 L HN 0.286 nan 8.230 nan 0.000 0.434 425 L N -0.413 120.815 121.223 0.009 0.000 2.653 425 L HA 0.115 4.455 4.340 -0.000 0.000 0.232 425 L C 0.043 176.956 176.870 0.072 0.000 1.169 425 L CA 0.425 55.289 54.840 0.040 0.000 0.951 425 L CB -0.842 41.249 42.059 0.054 0.000 1.181 425 L HN 0.119 nan 8.230 nan 0.000 0.460 426 D N -0.015 120.446 120.400 0.102 0.000 2.280 426 D HA 0.246 4.886 4.640 -0.000 0.000 0.236 426 D C -1.636 174.751 176.300 0.145 0.000 1.082 426 D CA -2.002 52.082 54.000 0.140 0.000 0.834 426 D CB 2.160 43.109 40.800 0.248 0.000 1.100 426 D HN -0.131 nan 8.370 nan 0.000 0.486 427 P HA -0.101 nan 4.420 nan 0.000 0.215 427 P C 0.971 178.313 177.300 0.071 0.000 1.153 427 P CA 1.283 64.443 63.100 0.100 0.000 0.853 427 P CB 0.127 31.867 31.700 0.067 0.000 0.788 428 A N -0.901 121.910 122.820 -0.015 0.000 2.139 428 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 428 A C 1.561 179.006 177.584 -0.231 0.000 1.159 428 A CA 1.455 53.408 52.037 -0.139 0.000 0.662 428 A CB -1.379 17.489 19.000 -0.221 0.000 0.796 428 A HN 0.306 nan 8.150 nan 0.000 0.463 429 H N -3.743 115.375 119.070 0.080 0.000 2.520 429 H HA 0.187 4.743 4.556 -0.000 0.000 0.284 429 H C -0.632 174.809 175.328 0.188 0.000 1.037 429 H CA 0.209 56.314 56.048 0.094 0.000 1.168 429 H CB 0.257 30.064 29.762 0.076 0.000 1.497 429 H HN 0.545 nan 8.280 nan 0.000 0.547 430 Y N 0.791 121.129 120.300 0.064 0.000 2.658 430 Y HA 0.155 4.705 4.550 0.000 0.000 0.273 430 Y C 0.239 176.146 175.900 0.012 0.000 0.992 430 Y CA -0.428 57.698 58.100 0.043 0.000 1.105 430 Y CB -0.032 38.458 38.460 0.050 0.000 1.188 430 Y HN -0.039 nan 8.280 nan 0.000 0.616 431 L N 0.116 121.301 121.223 -0.063 0.000 2.592 431 L HA 0.333 4.673 4.340 -0.000 0.000 0.227 431 L C 1.730 178.488 176.870 -0.186 0.000 1.127 431 L CA 0.868 55.646 54.840 -0.103 0.000 0.884 431 L CB -0.903 41.113 42.059 -0.072 0.000 1.065 431 L HN 0.548 nan 8.230 nan 0.000 0.457 432 G N 0.054 108.697 108.800 -0.263 0.000 2.672 432 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.324 432 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.324 432 G C 0.798 175.513 174.900 -0.308 0.000 1.286 432 G CA 0.490 45.421 45.100 -0.281 0.000 1.004 432 G HN 0.297 nan 8.290 nan 0.000 0.548 433 Q N 1.020 120.551 119.800 -0.448 0.000 2.365 433 Q HA 0.420 4.760 4.340 -0.000 0.000 0.203 433 Q C 2.661 178.122 176.000 -0.898 0.000 0.929 433 Q CA 1.343 56.649 55.803 -0.828 0.000 0.948 433 Q CB -0.392 27.455 28.738 -1.484 0.000 1.043 433 Q HN 0.908 nan 8.270 nan 0.000 0.505 434 A N 1.702 124.253 122.820 -0.447 0.000 1.894 434 A HA -0.315 4.005 4.320 -0.000 0.000 0.220 434 A C 2.155 179.647 177.584 -0.153 0.000 1.237 434 A CA 2.005 53.925 52.037 -0.195 0.000 0.660 434 A CB -0.494 18.459 19.000 -0.079 0.000 0.835 434 A HN 0.343 nan 8.150 nan 0.000 0.461 435 R N -1.130 119.274 120.500 -0.161 0.000 2.115 435 R HA -0.035 4.305 4.340 -0.000 0.000 0.230 435 R C 2.037 178.275 176.300 -0.104 0.000 1.111 435 R CA 1.220 57.262 56.100 -0.096 0.000 0.976 435 R CB -0.430 29.819 30.300 -0.086 0.000 0.870 435 R HN 0.455 nan 8.270 nan 0.000 0.445 436 V N -0.423 119.349 119.914 -0.238 0.000 2.307 436 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 436 V C 1.845 177.954 176.094 0.025 0.000 1.045 436 V CA 1.672 63.850 62.300 -0.203 0.000 1.024 436 V CB -0.562 31.002 31.823 -0.432 0.000 0.651 436 V HN 0.458 nan 8.190 nan 0.000 0.449 437 W N -0.239 121.052 121.300 -0.015 0.000 2.318 437 W HA -0.201 4.459 4.660 -0.000 0.000 0.313 437 W C 2.402 178.913 176.519 -0.014 0.000 1.221 437 W CA 0.656 57.992 57.345 -0.016 0.000 1.266 437 W CB -0.644 28.804 29.460 -0.020 0.000 1.150 437 W HN 0.055 nan 8.180 nan 0.000 0.496 438 V N 0.837 120.884 119.914 0.221 0.000 2.343 438 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 438 V C 2.394 178.544 176.094 0.093 0.000 1.051 438 V CA 2.001 64.373 62.300 0.119 0.000 1.036 438 V CB -1.558 30.308 31.823 0.073 0.000 0.654 438 V HN 0.266 nan 8.190 nan 0.000 0.451 439 A N 0.233 123.102 122.820 0.082 0.000 1.865 439 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 439 A C 2.382 180.017 177.584 0.085 0.000 1.191 439 A CA 2.108 54.184 52.037 0.065 0.000 0.623 439 A CB -0.540 18.483 19.000 0.038 0.000 0.826 439 A HN 0.519 nan 8.150 nan 0.000 0.444 440 R N -0.585 119.988 120.500 0.122 0.000 2.073 440 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 440 R C 2.519 178.874 176.300 0.092 0.000 1.134 440 R CA 1.261 57.432 56.100 0.119 0.000 0.952 440 R CB -0.531 29.874 30.300 0.174 0.000 0.850 440 R HN 0.524 nan 8.270 nan 0.000 0.433 441 A N 0.767 123.640 122.820 0.089 0.000 1.858 441 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 441 A C 2.395 180.019 177.584 0.067 0.000 1.190 441 A CA 1.517 53.584 52.037 0.049 0.000 0.617 441 A CB -0.652 18.361 19.000 0.022 0.000 0.827 441 A HN 0.121 nan 8.150 nan 0.000 0.443 442 V N -0.384 119.573 119.914 0.071 0.000 2.343 442 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 442 V C 2.804 178.981 176.094 0.139 0.000 1.051 442 V CA 2.278 64.639 62.300 0.102 0.000 1.036 442 V CB -0.804 31.065 31.823 0.075 0.000 0.654 442 V HN 0.667 nan 8.190 nan 0.000 0.451 443 S N -0.583 115.175 115.700 0.097 0.000 2.353 443 S HA -0.302 4.168 4.470 -0.000 0.000 0.222 443 S C 2.097 176.749 174.600 0.085 0.000 1.035 443 S CA 2.209 60.457 58.200 0.080 0.000 1.025 443 S CB -0.320 62.919 63.200 0.065 0.000 0.902 443 S HN 0.702 nan 8.310 nan 0.000 0.440 444 E N -0.881 119.373 120.200 0.090 0.000 2.160 444 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 444 E C 1.914 178.590 176.600 0.128 0.000 0.991 444 E CA 1.354 57.808 56.400 0.091 0.000 0.810 444 E CB -0.194 29.547 29.700 0.068 0.000 0.742 444 E HN 0.778 nan 8.360 nan 0.000 0.466 445 H N 0.446 119.542 119.070 0.042 0.000 2.353 445 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 445 H C 1.893 177.284 175.328 0.104 0.000 1.090 445 H CA 2.094 58.172 56.048 0.049 0.000 1.327 445 H CB 0.094 29.861 29.762 0.008 0.000 1.383 445 H HN 0.155 nan 8.280 nan 0.000 0.508 446 Q N -0.259 119.494 119.800 -0.079 0.000 2.172 446 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 446 Q C 2.316 178.281 176.000 -0.059 0.000 0.964 446 Q CA 0.665 56.390 55.803 -0.130 0.000 0.855 446 Q CB 0.186 28.915 28.738 -0.015 0.000 0.918 446 Q HN 0.401 nan 8.270 nan 0.000 0.444 447 R N 0.435 120.940 120.500 0.009 0.000 2.070 447 R HA -0.138 4.202 4.340 -0.000 0.000 0.233 447 R C 2.084 178.398 176.300 0.023 0.000 1.137 447 R CA 1.156 57.269 56.100 0.021 0.000 0.945 447 R CB -1.017 29.313 30.300 0.051 0.000 0.845 447 R HN 0.266 nan 8.270 nan 0.000 0.430 448 F N 2.452 122.362 119.950 -0.067 0.000 2.065 448 F HA -0.292 4.235 4.527 -0.000 0.000 0.298 448 F C 2.115 177.871 175.800 -0.073 0.000 1.112 448 F CA 2.153 60.119 58.000 -0.057 0.000 1.212 448 F CB -0.706 38.268 39.000 -0.043 0.000 0.975 448 F HN 0.029 nan 8.300 nan 0.000 0.476 449 T N 0.833 115.377 114.554 -0.017 0.000 2.634 449 T HA -0.355 3.995 4.350 -0.000 0.000 0.256 449 T C 1.168 175.736 174.700 -0.220 0.000 1.131 449 T CA 1.590 63.630 62.100 -0.100 0.000 1.149 449 T CB -1.270 67.536 68.868 -0.104 0.000 0.849 449 T HN 0.496 nan 8.240 nan 0.000 0.457 450 A N 0.000 122.704 122.820 -0.194 0.000 2.254 450 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 450 A CA 0.000 51.928 52.037 -0.182 0.000 0.836 450 A CB 0.000 18.933 19.000 -0.112 0.000 0.831 450 A HN 0.000 nan 8.150 nan 0.000 0.486