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 1uro_1_A DATA FIRST_RESID 10 DATA SEQUENCE GFPELKNDTF LRAAWGEETD YTPVWCMRQA GRYLPEFRET RAAQDFFSTC DATA SEQUENCE RSPEACCELT LQPLRRFPLD AAIIFSDILV VPQALGMEVT MVPGKGPSFP DATA SEQUENCE EPLREEQDLE RLRDPEVVAS ELGYVFQAIT LTRQRLAGRV PLIGFAGAPW DATA SEQUENCE TLMTYMVEGG GSSTMAQAKR WLYQRPQASH QLLRILTDAL VPYLVGQVVA DATA SEQUENCE GAQALQLFES HAGHLGPQLF NKFALPYIRD VAKQVKARLR EAGLAPVPMI DATA SEQUENCE IFAKDGHFAL EELAQAGYEV VGLDWTVAPK KARECVGKTV TLQGNLDPCA DATA SEQUENCE LYASEEEIGQ LVKQMLDDFG PHRYIANLGH GLYPDMDPEH VGAFVDAVHK DATA SEQUENCE HSRLLRQ 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.651 174.900 -0.415 0.000 0.946 10 G CA 0.000 44.905 45.100 -0.325 0.000 0.502 11 F N 0.632 120.587 119.950 0.009 0.000 2.575 11 F HA 0.685 5.212 4.527 -0.000 0.000 0.330 11 F C -1.960 173.847 175.800 0.013 0.000 1.056 11 F CA -2.558 55.449 58.000 0.012 0.000 0.964 11 F CB 0.934 39.942 39.000 0.013 0.000 1.258 11 F HN -0.193 nan 8.300 nan 0.000 0.484 12 P HA 0.068 nan 4.420 nan 0.000 0.269 12 P C -0.784 176.586 177.300 0.117 0.000 1.209 12 P CA -0.416 62.763 63.100 0.132 0.000 0.776 12 P CB 0.466 32.227 31.700 0.103 0.000 0.876 13 E N 2.007 122.256 120.200 0.082 0.000 2.392 13 E HA 0.075 4.425 4.350 -0.000 0.000 0.264 13 E C -0.587 176.047 176.600 0.057 0.000 1.024 13 E CA -0.700 55.741 56.400 0.069 0.000 0.903 13 E CB 0.374 30.105 29.700 0.052 0.000 0.963 13 E HN 0.234 nan 8.360 nan 0.000 0.432 14 L N 4.992 126.247 121.223 0.053 0.000 2.455 14 L HA 0.029 4.369 4.340 -0.000 0.000 0.272 14 L C 0.646 177.544 176.870 0.046 0.000 1.174 14 L CA 0.791 55.659 54.840 0.047 0.000 0.869 14 L CB 0.573 42.662 42.059 0.051 0.000 1.130 14 L HN 0.660 nan 8.230 nan 0.000 0.474 15 K N 2.639 123.066 120.400 0.045 0.000 2.108 15 K HA 0.073 4.393 4.320 -0.000 0.000 0.204 15 K C 0.311 176.944 176.600 0.054 0.000 1.036 15 K CA 0.468 56.782 56.287 0.044 0.000 0.965 15 K CB 0.009 32.532 32.500 0.039 0.000 0.804 15 K HN 0.538 nan 8.250 nan 0.000 0.454 16 N N 2.254 120.992 118.700 0.064 0.000 2.485 16 N HA -0.019 4.721 4.740 -0.000 0.000 0.243 16 N C -1.038 174.529 175.510 0.094 0.000 0.987 16 N CA -0.224 52.878 53.050 0.087 0.000 0.940 16 N CB 0.890 39.439 38.487 0.104 0.000 1.122 16 N HN 0.130 nan 8.380 nan 0.000 0.509 17 D N 1.598 122.050 120.400 0.087 0.000 2.424 17 D HA 0.065 4.705 4.640 -0.000 0.000 0.220 17 D C 0.558 176.907 176.300 0.082 0.000 1.150 17 D CA -0.125 53.933 54.000 0.097 0.000 0.831 17 D CB -0.175 40.676 40.800 0.084 0.000 0.981 17 D HN 0.313 nan 8.370 nan 0.000 0.500 18 T N 0.323 114.912 114.554 0.058 0.000 2.665 18 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 18 T C 1.301 175.996 174.700 -0.009 0.000 1.035 18 T CA 1.320 63.389 62.100 -0.051 0.000 1.151 18 T CB -0.571 68.177 68.868 -0.201 0.000 0.862 18 T HN 0.292 nan 8.240 nan 0.000 0.438 19 F N 1.763 121.680 119.950 -0.054 0.000 2.095 19 F HA -0.089 4.437 4.527 -0.000 0.000 0.298 19 F C 1.908 177.672 175.800 -0.059 0.000 1.104 19 F CA 1.242 59.209 58.000 -0.056 0.000 1.232 19 F CB -0.506 38.458 39.000 -0.060 0.000 0.987 19 F HN 0.074 nan 8.300 nan 0.000 0.475 20 L N -0.255 120.919 121.223 -0.083 0.000 2.093 20 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 20 L C 2.666 179.510 176.870 -0.043 0.000 1.085 20 L CA 1.206 55.946 54.840 -0.165 0.000 0.755 20 L CB -0.699 41.427 42.059 0.110 0.000 0.904 20 L HN 0.032 nan 8.230 nan 0.000 0.435 21 R N 0.158 120.676 120.500 0.030 0.000 2.081 21 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 21 R C 2.461 178.764 176.300 0.005 0.000 1.131 21 R CA 1.415 57.559 56.100 0.073 0.000 0.960 21 R CB -0.496 29.822 30.300 0.030 0.000 0.856 21 R HN 0.356 nan 8.270 nan 0.000 0.436 22 A N 1.125 123.879 122.820 -0.109 0.000 1.933 22 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 22 A C 2.352 179.827 177.584 -0.181 0.000 1.175 22 A CA 1.639 53.598 52.037 -0.131 0.000 0.628 22 A CB -0.586 18.311 19.000 -0.172 0.000 0.814 22 A HN 0.408 nan 8.150 nan 0.000 0.444 23 A N -1.406 121.185 122.820 -0.381 0.000 1.933 23 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 23 A C 1.893 179.269 177.584 -0.347 0.000 1.175 23 A CA 1.237 52.975 52.037 -0.498 0.000 0.628 23 A CB -0.873 17.603 19.000 -0.873 0.000 0.814 23 A HN 0.771 nan 8.150 nan 0.000 0.444 24 W N -1.341 119.875 121.300 -0.140 0.000 3.047 24 W HA 0.343 5.002 4.660 -0.000 0.000 0.250 24 W C 1.610 178.100 176.519 -0.049 0.000 1.314 24 W CA 0.596 57.894 57.345 -0.079 0.000 1.540 24 W CB 0.226 29.643 29.460 -0.070 0.000 1.127 24 W HN 0.580 nan 8.180 nan 0.000 0.679 25 G N 0.337 109.216 108.800 0.132 0.000 2.159 25 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.227 25 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.227 25 G C -0.024 174.931 174.900 0.091 0.000 0.986 25 G CA -0.431 44.729 45.100 0.100 0.000 0.651 25 G HN 0.312 nan 8.290 nan 0.000 0.523 26 E N 0.685 120.938 120.200 0.089 0.000 2.349 26 E HA 0.437 4.787 4.350 -0.000 0.000 0.262 26 E C 0.115 176.746 176.600 0.052 0.000 1.088 26 E CA -0.646 55.792 56.400 0.063 0.000 0.899 26 E CB 0.742 30.474 29.700 0.055 0.000 1.044 26 E HN 0.227 nan 8.360 nan 0.000 0.420 27 E N 1.478 121.712 120.200 0.057 0.000 2.373 27 E HA 0.091 4.441 4.350 -0.000 0.000 0.267 27 E C -0.147 176.460 176.600 0.012 0.000 1.032 27 E CA 0.149 56.587 56.400 0.063 0.000 0.889 27 E CB 1.159 30.907 29.700 0.079 0.000 0.984 27 E HN 0.572 nan 8.360 nan 0.000 0.425 28 T N -1.446 113.095 114.554 -0.022 0.000 2.865 28 T HA 0.299 4.649 4.350 -0.000 0.000 0.294 28 T C 0.309 174.966 174.700 -0.072 0.000 1.119 28 T CA -0.851 61.196 62.100 -0.087 0.000 1.007 28 T CB 1.157 69.900 68.868 -0.209 0.000 1.225 28 T HN 0.029 nan 8.240 nan 0.000 0.515 29 D N -0.290 120.068 120.400 -0.071 0.000 2.317 29 D HA 0.165 4.805 4.640 -0.000 0.000 0.211 29 D C 0.291 176.667 176.300 0.126 0.000 0.966 29 D CA 1.422 55.450 54.000 0.047 0.000 0.876 29 D CB -0.145 40.735 40.800 0.133 0.000 0.927 29 D HN 0.711 nan 8.370 nan 0.000 0.519 30 Y N -3.316 116.985 120.300 0.002 0.000 2.689 30 Y HA 0.477 5.027 4.550 -0.000 0.000 0.333 30 Y C -0.769 175.146 175.900 0.025 0.000 1.208 30 Y CA -1.374 56.731 58.100 0.008 0.000 1.055 30 Y CB 0.581 39.025 38.460 -0.027 0.000 1.304 30 Y HN -0.441 nan 8.280 nan 0.000 0.455 31 T N 5.034 119.672 114.554 0.141 0.000 2.749 31 T HA 0.369 4.719 4.350 -0.000 0.000 0.295 31 T C -2.627 172.131 174.700 0.096 0.000 0.936 31 T CA -1.155 60.946 62.100 0.002 0.000 1.060 31 T CB 0.753 69.631 68.868 0.016 0.000 0.904 31 T HN 0.414 nan 8.240 nan 0.000 0.500 32 P HA 0.380 nan 4.420 nan 0.000 0.274 32 P C -0.901 176.484 177.300 0.142 0.000 1.231 32 P CA -0.432 62.773 63.100 0.175 0.000 0.790 32 P CB 1.146 32.926 31.700 0.133 0.000 0.951 33 V N 4.254 124.297 119.914 0.214 0.000 2.808 33 V HA 0.769 4.889 4.120 -0.000 0.000 0.308 33 V C -1.548 174.687 176.094 0.236 0.000 1.099 33 V CA -0.545 61.802 62.300 0.079 0.000 0.920 33 V CB 1.773 33.469 31.823 -0.211 0.000 1.014 33 V HN 0.803 nan 8.190 nan 0.000 0.425 34 W N 4.477 125.764 121.300 -0.023 0.000 3.047 34 W HA 0.802 5.462 4.660 -0.000 0.000 0.341 34 W C -2.046 174.476 176.519 0.004 0.000 1.225 34 W CA -1.240 56.086 57.345 -0.031 0.000 1.150 34 W CB 1.177 30.562 29.460 -0.125 0.000 1.470 34 W HN 0.655 nan 8.180 nan 0.000 0.578 35 C N 2.342 121.662 119.300 0.033 0.000 2.431 35 C HA 0.476 4.936 4.460 -0.000 0.000 0.321 35 C C 0.601 175.411 174.990 -0.300 0.000 1.202 35 C CA -0.587 58.247 59.018 -0.307 0.000 1.398 35 C CB 0.833 28.441 27.740 -0.220 0.000 2.047 35 C HN 0.623 nan 8.230 nan 0.000 0.465 36 M N 2.765 122.020 119.600 -0.575 0.000 2.248 36 M HA 0.126 4.606 4.480 -0.000 0.000 0.345 36 M C 1.032 177.237 176.300 -0.158 0.000 1.243 36 M CA 1.041 56.168 55.300 -0.289 0.000 1.090 36 M CB 0.152 32.575 32.600 -0.294 0.000 1.683 36 M HN 0.771 nan 8.290 nan 0.000 0.450 37 R N 0.511 120.989 120.500 -0.037 0.000 3.776 37 R HA -0.238 4.102 4.340 -0.000 0.000 0.312 37 R C 1.188 177.531 176.300 0.072 0.000 1.181 37 R CA 1.072 57.161 56.100 -0.019 0.000 0.836 37 R CB -1.855 28.382 30.300 -0.104 0.000 1.324 37 R HN 0.894 nan 8.270 nan 0.000 0.501 38 Q N -0.484 119.405 119.800 0.150 0.000 2.226 38 Q HA -0.013 4.327 4.340 -0.000 0.000 0.204 38 Q C 0.680 176.915 176.000 0.391 0.000 0.975 38 Q CA 1.584 57.550 55.803 0.271 0.000 0.866 38 Q CB 0.195 29.109 28.738 0.293 0.000 0.915 38 Q HN 0.411 nan 8.270 nan 0.000 0.440 39 A N 0.986 123.988 122.820 0.303 0.000 2.366 39 A HA 0.653 4.972 4.320 -0.000 0.000 0.322 39 A C 0.003 177.588 177.584 0.001 0.000 1.397 39 A CA 0.153 52.370 52.037 0.299 0.000 0.984 39 A CB 0.504 19.786 19.000 0.470 0.000 1.149 39 A HN 0.411 nan 8.150 nan 0.000 0.540 40 G N 0.799 109.341 108.800 -0.430 0.000 2.600 40 G HA2 0.424 4.384 3.960 -0.000 0.000 0.293 40 G HA3 0.424 4.384 3.960 -0.000 0.000 0.293 40 G C 0.218 174.479 174.900 -1.066 0.000 1.408 40 G CA -0.821 43.685 45.100 -0.990 0.000 0.782 40 G HN 0.514 nan 8.290 nan 0.000 0.482 41 R N -0.757 119.330 120.500 -0.688 0.000 2.293 41 R HA -0.107 4.233 4.340 -0.000 0.000 0.219 41 R C 1.990 178.255 176.300 -0.059 0.000 1.091 41 R CA 1.652 57.638 56.100 -0.189 0.000 1.004 41 R CB -0.391 29.910 30.300 0.001 0.000 0.865 41 R HN 0.682 nan 8.270 nan 0.000 0.469 42 Y N -0.190 120.048 120.300 -0.102 0.000 2.497 42 Y HA 0.078 4.628 4.550 -0.000 0.000 0.292 42 Y C 0.483 176.398 175.900 0.025 0.000 1.137 42 Y CA -0.041 58.046 58.100 -0.022 0.000 1.285 42 Y CB -0.312 38.129 38.460 -0.032 0.000 0.991 42 Y HN -0.135 nan 8.280 nan 0.000 0.556 43 L N 2.641 123.415 121.223 -0.749 0.000 2.275 43 L HA 0.260 4.600 4.340 -0.000 0.000 0.288 43 L C -1.542 175.244 176.870 -0.141 0.000 1.046 43 L CA -2.066 52.480 54.840 -0.489 0.000 0.805 43 L CB 1.541 43.301 42.059 -0.497 0.000 1.193 43 L HN -0.117 nan 8.230 nan 0.000 0.426 44 P HA -0.191 nan 4.420 nan 0.000 0.216 44 P C 1.211 178.500 177.300 -0.018 0.000 1.150 44 P CA 0.936 64.020 63.100 -0.027 0.000 0.837 44 P CB 0.152 31.835 31.700 -0.029 0.000 0.786 45 E N -0.665 119.511 120.200 -0.040 0.000 2.204 45 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 45 E C 1.918 178.492 176.600 -0.043 0.000 0.990 45 E CA 1.063 57.434 56.400 -0.049 0.000 0.821 45 E CB -1.375 28.286 29.700 -0.065 0.000 0.750 45 E HN 0.265 nan 8.360 nan 0.000 0.477 46 F N 2.403 122.259 119.950 -0.155 0.000 2.113 46 F HA -0.012 4.515 4.527 -0.000 0.000 0.297 46 F C 2.495 178.216 175.800 -0.131 0.000 1.103 46 F CA 1.377 59.280 58.000 -0.163 0.000 1.248 46 F CB -0.060 38.843 39.000 -0.162 0.000 0.999 46 F HN -0.182 nan 8.300 nan 0.000 0.475 47 R N 0.216 120.818 120.500 0.170 0.000 2.083 47 R HA -0.226 4.114 4.340 -0.000 0.000 0.237 47 R C 2.295 178.555 176.300 -0.067 0.000 1.137 47 R CA 1.924 58.076 56.100 0.086 0.000 0.951 47 R CB -0.732 29.627 30.300 0.099 0.000 0.851 47 R HN 0.468 nan 8.270 nan 0.000 0.434 48 E N 0.093 120.251 120.200 -0.071 0.000 2.058 48 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 48 E C 1.594 178.103 176.600 -0.151 0.000 0.997 48 E CA 1.950 58.295 56.400 -0.092 0.000 0.801 48 E CB 0.034 29.691 29.700 -0.073 0.000 0.746 48 E HN 0.189 nan 8.360 nan 0.000 0.450 49 T N 0.488 114.911 114.554 -0.218 0.000 2.746 49 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 49 T C 1.860 176.356 174.700 -0.340 0.000 1.039 49 T CA 1.176 63.110 62.100 -0.277 0.000 1.142 49 T CB -0.202 68.464 68.868 -0.337 0.000 0.866 49 T HN 0.149 nan 8.240 nan 0.000 0.444 50 R N 0.601 120.822 120.500 -0.465 0.000 2.189 50 R HA 0.095 4.435 4.340 -0.000 0.000 0.223 50 R C 2.548 178.729 176.300 -0.198 0.000 1.092 50 R CA 0.907 56.760 56.100 -0.411 0.000 0.989 50 R CB -0.310 29.672 30.300 -0.529 0.000 0.876 50 R HN 0.359 nan 8.270 nan 0.000 0.457 51 A N 0.593 123.325 122.820 -0.146 0.000 2.121 51 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 51 A C 2.192 179.727 177.584 -0.081 0.000 1.154 51 A CA 1.252 53.240 52.037 -0.082 0.000 0.679 51 A CB -0.238 18.727 19.000 -0.058 0.000 0.795 51 A HN 0.361 nan 8.150 nan 0.000 0.458 52 A N -1.225 121.529 122.820 -0.109 0.000 1.972 52 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 52 A C 1.098 178.633 177.584 -0.081 0.000 1.169 52 A CA 1.633 53.613 52.037 -0.094 0.000 0.635 52 A CB -0.103 18.831 19.000 -0.111 0.000 0.810 52 A HN 0.646 nan 8.150 nan 0.000 0.446 53 Q N -1.135 118.610 119.800 -0.091 0.000 2.814 53 Q HA 0.374 4.714 4.340 -0.000 0.000 0.322 53 Q C -1.365 174.603 176.000 -0.052 0.000 0.888 53 Q CA -0.553 55.208 55.803 -0.070 0.000 0.768 53 Q CB 0.664 29.351 28.738 -0.084 0.000 1.443 53 Q HN 0.402 nan 8.270 nan 0.000 0.497 54 D N -0.025 120.360 120.400 -0.024 0.000 2.339 54 D HA 0.036 4.676 4.640 -0.000 0.000 0.245 54 D C 0.241 176.550 176.300 0.014 0.000 1.115 54 D CA -0.413 53.603 54.000 0.027 0.000 0.917 54 D CB 0.862 41.696 40.800 0.056 0.000 1.192 54 D HN 0.449 nan 8.370 nan 0.000 0.428 55 F N 0.910 120.811 119.950 -0.082 0.000 2.039 55 F HA -0.291 4.236 4.527 -0.000 0.000 0.296 55 F C 1.834 177.459 175.800 -0.291 0.000 1.119 55 F CA 1.714 59.591 58.000 -0.206 0.000 1.211 55 F CB -0.430 38.361 39.000 -0.347 0.000 0.956 55 F HN 0.310 nan 8.300 nan 0.000 0.496 56 F N -0.813 119.136 119.950 -0.002 0.000 2.451 56 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 56 F C 2.755 178.430 175.800 -0.208 0.000 1.101 56 F CA 1.200 59.128 58.000 -0.119 0.000 1.436 56 F CB -1.098 37.895 39.000 -0.012 0.000 1.074 56 F HN 0.010 nan 8.300 nan 0.000 0.553 57 S N -0.702 114.961 115.700 -0.061 0.000 2.387 57 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 57 S C 2.186 176.688 174.600 -0.164 0.000 1.026 57 S CA 1.746 59.881 58.200 -0.109 0.000 0.972 57 S CB -0.388 62.770 63.200 -0.070 0.000 0.814 57 S HN 0.330 nan 8.310 nan 0.000 0.477 58 T N 1.234 115.657 114.554 -0.218 0.000 2.674 58 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 58 T C 1.957 176.564 174.700 -0.155 0.000 1.039 58 T CA 1.623 63.582 62.100 -0.235 0.000 1.150 58 T CB -0.805 67.851 68.868 -0.353 0.000 0.864 58 T HN 0.519 nan 8.240 nan 0.000 0.427 59 C N 1.350 120.523 119.300 -0.211 0.000 2.410 59 C HA -0.026 4.434 4.460 -0.000 0.000 0.281 59 C C 2.565 177.569 174.990 0.023 0.000 1.318 59 C CA 0.513 59.508 59.018 -0.039 0.000 1.776 59 C CB -1.139 26.558 27.740 -0.072 0.000 1.942 59 C HN 0.502 nan 8.230 nan 0.000 0.508 60 R N 0.352 120.723 120.500 -0.214 0.000 2.310 60 R HA 0.041 4.381 4.340 -0.000 0.000 0.202 60 R C 0.761 176.993 176.300 -0.113 0.000 0.933 60 R CA 0.160 56.032 56.100 -0.380 0.000 1.054 60 R CB 0.011 29.947 30.300 -0.606 0.000 0.985 60 R HN 0.382 nan 8.270 nan 0.000 0.489 61 S N 1.049 116.719 115.700 -0.050 0.000 2.448 61 S HA 0.268 4.738 4.470 -0.000 0.000 0.320 61 S C -1.996 172.622 174.600 0.029 0.000 1.071 61 S CA -2.031 56.156 58.200 -0.022 0.000 1.113 61 S CB 1.393 64.558 63.200 -0.058 0.000 0.972 61 S HN -0.154 nan 8.310 nan 0.000 0.465 62 P HA -0.136 nan 4.420 nan 0.000 0.215 62 P C 1.325 178.655 177.300 0.050 0.000 1.157 62 P CA 1.122 64.269 63.100 0.078 0.000 0.874 62 P CB 0.192 31.941 31.700 0.081 0.000 0.790 63 E N -0.744 119.469 120.200 0.021 0.000 2.106 63 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 63 E C 2.050 178.636 176.600 -0.024 0.000 0.984 63 E CA 1.387 57.788 56.400 0.001 0.000 0.806 63 E CB -0.720 28.973 29.700 -0.011 0.000 0.750 63 E HN 0.175 nan 8.360 nan 0.000 0.458 64 A N 0.817 123.610 122.820 -0.045 0.000 1.898 64 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 64 A C 2.596 180.124 177.584 -0.094 0.000 1.181 64 A CA 1.220 53.195 52.037 -0.104 0.000 0.620 64 A CB -0.792 18.122 19.000 -0.142 0.000 0.819 64 A HN 0.318 nan 8.150 nan 0.000 0.442 65 C N -1.670 117.637 119.300 0.012 0.000 2.446 65 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 65 C C 2.965 178.021 174.990 0.110 0.000 1.275 65 C CA 0.644 59.745 59.018 0.138 0.000 1.727 65 C CB -1.662 26.213 27.740 0.224 0.000 2.010 65 C HN 0.788 nan 8.230 nan 0.000 0.486 66 C N 1.309 120.650 119.300 0.069 0.000 2.413 66 C HA -0.147 4.313 4.460 -0.000 0.000 0.276 66 C C 2.786 177.792 174.990 0.026 0.000 1.236 66 C CA 2.133 61.185 59.018 0.056 0.000 1.735 66 C CB -1.355 26.412 27.740 0.045 0.000 2.031 66 C HN 0.678 nan 8.230 nan 0.000 0.474 67 E N 0.613 120.803 120.200 -0.017 0.000 2.051 67 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 67 E C 2.021 178.591 176.600 -0.051 0.000 0.991 67 E CA 1.777 58.151 56.400 -0.044 0.000 0.799 67 E CB -0.625 29.025 29.700 -0.083 0.000 0.748 67 E HN 0.727 nan 8.360 nan 0.000 0.449 68 L N -0.021 121.143 121.223 -0.099 0.000 2.046 68 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 68 L C 2.504 179.428 176.870 0.089 0.000 1.077 68 L CA 1.694 56.475 54.840 -0.098 0.000 0.747 68 L CB -0.725 41.083 42.059 -0.417 0.000 0.896 68 L HN 0.209 nan 8.230 nan 0.000 0.432 69 T N 0.346 114.980 114.554 0.133 0.000 2.720 69 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 69 T C 1.912 176.676 174.700 0.106 0.000 1.037 69 T CA 1.296 63.494 62.100 0.165 0.000 1.144 69 T CB -0.213 68.743 68.868 0.147 0.000 0.864 69 T HN 0.219 nan 8.240 nan 0.000 0.444 70 L N 0.482 121.742 121.223 0.062 0.000 2.240 70 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 70 L C 2.812 179.697 176.870 0.026 0.000 1.106 70 L CA 0.839 55.701 54.840 0.038 0.000 0.793 70 L CB -0.607 41.461 42.059 0.016 0.000 0.927 70 L HN 0.283 nan 8.230 nan 0.000 0.446 71 Q N 0.381 120.194 119.800 0.021 0.000 2.096 71 Q HA -0.213 4.127 4.340 -0.000 0.000 0.208 71 Q C -0.489 175.500 176.000 -0.019 0.000 0.993 71 Q CA 2.172 57.970 55.803 -0.008 0.000 0.862 71 Q CB -1.039 27.697 28.738 -0.004 0.000 0.915 71 Q HN 0.444 nan 8.270 nan 0.000 0.416 72 P HA -0.155 nan 4.420 nan 0.000 0.218 72 P C 1.119 178.460 177.300 0.068 0.000 1.149 72 P CA 1.167 64.341 63.100 0.124 0.000 0.817 72 P CB -0.064 31.835 31.700 0.332 0.000 0.785 73 L N -0.675 120.592 121.223 0.074 0.000 2.275 73 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 73 L C 2.743 179.606 176.870 -0.012 0.000 1.119 73 L CA 1.124 56.000 54.840 0.060 0.000 0.790 73 L CB -0.504 41.588 42.059 0.055 0.000 0.919 73 L HN -0.070 nan 8.230 nan 0.000 0.443 74 R N -0.673 119.786 120.500 -0.068 0.000 2.193 74 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 74 R C 2.134 178.326 176.300 -0.179 0.000 1.055 74 R CA 0.478 56.521 56.100 -0.094 0.000 0.995 74 R CB -0.011 30.237 30.300 -0.086 0.000 0.893 74 R HN 0.347 nan 8.270 nan 0.000 0.459 75 R N -0.354 119.929 120.500 -0.362 0.000 2.128 75 R HA 0.137 4.477 4.340 -0.000 0.000 0.211 75 R C -0.220 175.734 176.300 -0.577 0.000 1.067 75 R CA 0.690 56.385 56.100 -0.675 0.000 1.010 75 R CB 0.426 29.848 30.300 -1.464 0.000 0.922 75 R HN -0.002 nan 8.270 nan 0.000 0.457 76 F N 0.316 120.307 119.950 0.069 0.000 2.576 76 F HA 0.359 4.886 4.527 -0.000 0.000 0.313 76 F C -2.159 173.685 175.800 0.073 0.000 1.078 76 F CA -3.298 54.744 58.000 0.070 0.000 0.921 76 F CB 1.240 40.290 39.000 0.084 0.000 1.232 76 F HN -0.222 nan 8.300 nan 0.000 0.459 77 P HA 0.210 nan 4.420 nan 0.000 0.225 77 P C -0.594 176.864 177.300 0.264 0.000 1.813 77 P CA 0.215 63.442 63.100 0.211 0.000 1.013 77 P CB -0.014 31.797 31.700 0.184 0.000 1.961 78 L N 1.332 122.696 121.223 0.234 0.000 2.439 78 L HA 0.155 4.495 4.340 -0.000 0.000 0.269 78 L C 1.542 178.526 176.870 0.189 0.000 1.179 78 L CA 0.121 55.090 54.840 0.214 0.000 0.828 78 L CB 0.449 42.642 42.059 0.223 0.000 1.106 78 L HN 0.077 nan 8.230 nan 0.000 0.467 79 D N 1.716 122.240 120.400 0.206 0.000 2.339 79 D HA 0.238 4.878 4.640 -0.000 0.000 0.217 79 D C 0.132 176.416 176.300 -0.026 0.000 1.050 79 D CA 0.361 54.465 54.000 0.174 0.000 0.856 79 D CB 0.743 41.728 40.800 0.309 0.000 0.922 79 D HN 0.536 nan 8.370 nan 0.000 0.518 80 A N 0.190 122.905 122.820 -0.175 0.000 2.604 80 A HA 0.683 5.002 4.320 -0.000 0.000 0.295 80 A C -1.429 175.950 177.584 -0.342 0.000 1.067 80 A CA -0.579 51.156 52.037 -0.502 0.000 0.683 80 A CB 1.610 19.764 19.000 -1.410 0.000 1.281 80 A HN 0.034 nan 8.150 nan 0.000 0.407 81 A N 0.651 123.276 122.820 -0.325 0.000 2.337 81 A HA 0.833 5.153 4.320 -0.000 0.000 0.331 81 A C -0.633 176.785 177.584 -0.277 0.000 1.137 81 A CA -0.449 51.481 52.037 -0.178 0.000 0.807 81 A CB 0.815 19.770 19.000 -0.075 0.000 1.250 81 A HN 1.679 nan 8.150 nan 0.000 0.468 82 I N 1.822 122.308 120.570 -0.140 0.000 2.465 82 I HA 0.480 4.649 4.170 -0.000 0.000 0.291 82 I C -0.727 175.450 176.117 0.099 0.000 1.014 82 I CA -1.165 60.071 61.300 -0.107 0.000 1.093 82 I CB 1.197 39.115 38.000 -0.137 0.000 1.267 82 I HN 0.683 nan 8.210 nan 0.000 0.431 83 I N 7.518 128.181 120.570 0.156 0.000 2.752 83 I HA -0.030 4.140 4.170 -0.000 0.000 0.289 83 I C -0.629 175.688 176.117 0.334 0.000 1.197 83 I CA 0.559 61.992 61.300 0.220 0.000 1.432 83 I CB 0.144 38.244 38.000 0.166 0.000 1.359 83 I HN 0.447 nan 8.210 nan 0.000 0.571 84 F N 7.927 128.006 119.950 0.214 0.000 2.506 84 F HA 0.449 4.976 4.527 -0.000 0.000 0.371 84 F C 0.509 176.458 175.800 0.249 0.000 1.078 84 F CA 0.889 59.033 58.000 0.240 0.000 1.195 84 F CB 0.326 39.428 39.000 0.171 0.000 1.099 84 F HN 0.604 nan 8.300 nan 0.000 0.548 85 S N 3.579 118.944 115.700 -0.559 0.000 2.862 85 S HA 0.375 4.845 4.470 -0.000 0.000 0.300 85 S C -2.175 172.316 174.600 -0.181 0.000 1.240 85 S CA -0.656 57.358 58.200 -0.310 0.000 1.025 85 S CB 0.850 63.994 63.200 -0.094 0.000 1.340 85 S HN 0.734 nan 8.310 nan 0.000 0.544 86 D N -0.340 120.112 120.400 0.088 0.000 2.753 86 D HA 0.454 5.094 4.640 -0.000 0.000 0.224 86 D C 1.189 177.627 176.300 0.231 0.000 1.213 86 D CA -0.208 53.931 54.000 0.231 0.000 0.833 86 D CB 1.089 42.082 40.800 0.322 0.000 1.607 86 D HN 0.534 nan 8.370 nan 0.000 0.463 87 I N 0.559 121.282 120.570 0.256 0.000 2.567 87 I HA -0.059 4.111 4.170 -0.000 0.000 0.257 87 I C 1.147 177.325 176.117 0.101 0.000 1.184 87 I CA 0.850 62.267 61.300 0.195 0.000 1.451 87 I CB -0.283 37.826 38.000 0.182 0.000 1.089 87 I HN 0.384 nan 8.210 nan 0.000 0.441 88 L N 1.589 122.872 121.223 0.101 0.000 2.551 88 L HA -0.046 4.294 4.340 -0.000 0.000 0.228 88 L C 2.666 179.607 176.870 0.120 0.000 1.153 88 L CA 0.569 55.474 54.840 0.108 0.000 0.851 88 L CB -0.454 41.659 42.059 0.090 0.000 0.959 88 L HN 0.399 nan 8.230 nan 0.000 0.451 89 V N -4.014 115.991 119.914 0.152 0.000 2.594 89 V HA -0.182 3.938 4.120 -0.000 0.000 0.253 89 V C 2.193 178.225 176.094 -0.104 0.000 1.069 89 V CA 1.339 63.676 62.300 0.062 0.000 1.082 89 V CB -0.645 31.216 31.823 0.062 0.000 0.680 89 V HN 0.177 nan 8.190 nan 0.000 0.469 90 V N 1.279 121.115 119.914 -0.130 0.000 2.270 90 V HA -0.056 4.064 4.120 -0.000 0.000 0.245 90 V C 0.631 176.679 176.094 -0.077 0.000 1.043 90 V CA 2.620 64.814 62.300 -0.177 0.000 1.014 90 V CB -1.735 30.019 31.823 -0.116 0.000 0.645 90 V HN 0.514 nan 8.190 nan 0.000 0.447 91 P HA -0.204 nan 4.420 nan 0.000 0.218 91 P C 1.631 178.964 177.300 0.054 0.000 1.149 91 P CA 1.500 64.612 63.100 0.020 0.000 0.817 91 P CB -0.001 31.731 31.700 0.054 0.000 0.785 92 Q N 0.161 119.980 119.800 0.032 0.000 2.084 92 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 92 Q C 2.095 178.065 176.000 -0.051 0.000 0.978 92 Q CA 1.850 57.626 55.803 -0.046 0.000 0.844 92 Q CB -0.581 28.041 28.738 -0.193 0.000 0.898 92 Q HN 0.112 nan 8.270 nan 0.000 0.426 93 A N 0.294 123.072 122.820 -0.071 0.000 2.067 93 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 93 A C 1.843 179.392 177.584 -0.058 0.000 1.158 93 A CA 0.629 52.620 52.037 -0.077 0.000 0.661 93 A CB -0.353 18.556 19.000 -0.151 0.000 0.801 93 A HN 0.451 nan 8.150 nan 0.000 0.452 94 L N -1.649 119.544 121.223 -0.050 0.000 2.552 94 L HA 0.126 4.466 4.340 -0.000 0.000 0.227 94 L C 1.704 178.562 176.870 -0.021 0.000 1.146 94 L CA 0.780 55.599 54.840 -0.035 0.000 0.858 94 L CB 0.087 42.121 42.059 -0.040 0.000 0.969 94 L HN 0.588 nan 8.230 nan 0.000 0.451 95 G N -1.153 107.638 108.800 -0.015 0.000 2.205 95 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.180 95 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.180 95 G C 0.237 175.142 174.900 0.009 0.000 1.004 95 G CA -0.517 44.579 45.100 -0.007 0.000 0.670 95 G HN 0.111 nan 8.290 nan 0.000 0.496 96 M N 1.464 121.086 119.600 0.037 0.000 2.249 96 M HA 0.404 4.884 4.480 -0.000 0.000 0.351 96 M C -0.175 176.185 176.300 0.101 0.000 1.180 96 M CA -0.320 55.048 55.300 0.113 0.000 1.127 96 M CB 0.985 33.698 32.600 0.188 0.000 1.546 96 M HN -0.028 nan 8.290 nan 0.000 0.461 97 E N 2.860 123.108 120.200 0.080 0.000 2.229 97 E HA 0.415 4.765 4.350 -0.000 0.000 0.283 97 E C -0.940 175.562 176.600 -0.162 0.000 1.030 97 E CA -0.226 56.147 56.400 -0.046 0.000 0.836 97 E CB 1.344 31.029 29.700 -0.027 0.000 1.068 97 E HN 0.355 nan 8.360 nan 0.000 0.401 98 V N 1.653 121.328 119.914 -0.398 0.000 2.960 98 V HA 0.654 4.774 4.120 -0.000 0.000 0.315 98 V C 0.217 176.070 176.094 -0.403 0.000 1.087 98 V CA -0.949 60.936 62.300 -0.692 0.000 0.982 98 V CB 2.039 33.240 31.823 -1.037 0.000 1.039 98 V HN 0.806 nan 8.190 nan 0.000 0.437 99 T N 0.661 115.056 114.554 -0.265 0.000 2.933 99 T HA 0.674 5.023 4.350 -0.000 0.000 0.305 99 T C -0.906 173.829 174.700 0.059 0.000 1.092 99 T CA -0.576 61.499 62.100 -0.042 0.000 1.008 99 T CB 1.701 70.544 68.868 -0.041 0.000 1.102 99 T HN 0.547 nan 8.240 nan 0.000 0.469 100 M N 5.007 124.713 119.600 0.176 0.000 2.561 100 M HA 0.379 4.859 4.480 -0.000 0.000 0.266 100 M C -0.429 175.885 176.300 0.023 0.000 1.080 100 M CA -1.195 54.151 55.300 0.077 0.000 0.993 100 M CB -0.028 32.582 32.600 0.016 0.000 1.303 100 M HN 0.686 nan 8.290 nan 0.000 0.462 101 V N 3.686 123.605 119.914 0.008 0.000 2.403 101 V HA 0.334 4.454 4.120 -0.000 0.000 0.265 101 V C -1.355 174.734 176.094 -0.008 0.000 1.034 101 V CA -1.110 61.194 62.300 0.007 0.000 1.036 101 V CB -0.222 31.605 31.823 0.008 0.000 1.032 101 V HN 0.631 nan 8.190 nan 0.000 0.478 102 P HA -0.219 nan 4.420 nan 0.000 0.220 102 P C 1.545 178.843 177.300 -0.003 0.000 1.155 102 P CA 2.452 65.551 63.100 -0.002 0.000 0.880 102 P CB 0.021 31.731 31.700 0.017 0.000 0.790 103 G N -0.394 108.407 108.800 0.001 0.000 2.394 103 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 103 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 103 G C 1.753 176.653 174.900 -0.000 0.000 1.165 103 G CA 0.637 45.739 45.100 0.002 0.000 0.784 103 G HN 0.277 nan 8.290 nan 0.000 0.535 104 K N -0.510 119.890 120.400 0.000 0.000 2.029 104 K HA 0.377 4.697 4.320 -0.000 0.000 0.205 104 K C 1.330 177.931 176.600 0.002 0.000 1.042 104 K CA 0.784 57.074 56.287 0.005 0.000 0.949 104 K CB 0.054 32.560 32.500 0.010 0.000 0.740 104 K HN 0.439 nan 8.250 nan 0.000 0.442 105 G N 0.332 109.124 108.800 -0.014 0.000 2.250 105 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.252 105 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.252 105 G C -2.990 171.887 174.900 -0.038 0.000 1.325 105 G CA -0.877 44.203 45.100 -0.033 0.000 1.091 105 G HN 0.003 nan 8.290 nan 0.000 0.476 106 P HA 0.508 nan 4.420 nan 0.000 0.274 106 P C -0.589 176.709 177.300 -0.004 0.000 1.231 106 P CA 0.216 63.293 63.100 -0.039 0.000 0.790 106 P CB 1.821 33.484 31.700 -0.061 0.000 0.951 107 S N 1.466 117.100 115.700 -0.111 0.000 2.533 107 S HA 0.633 5.102 4.470 -0.000 0.000 0.271 107 S C -1.804 172.658 174.600 -0.230 0.000 1.143 107 S CA -0.553 57.614 58.200 -0.055 0.000 0.891 107 S CB 0.382 63.578 63.200 -0.005 0.000 1.105 107 S HN 0.173 nan 8.310 nan 0.000 0.468 108 F N 4.970 124.925 119.950 0.007 0.000 2.366 108 F HA 0.418 4.945 4.527 -0.000 0.000 0.366 108 F C -1.396 174.395 175.800 -0.015 0.000 1.096 108 F CA -1.798 56.190 58.000 -0.020 0.000 1.060 108 F CB 1.900 40.883 39.000 -0.028 0.000 1.282 108 F HN 0.422 nan 8.300 nan 0.000 0.450 109 P HA -0.162 nan 4.420 nan 0.000 0.219 109 P C -0.219 177.127 177.300 0.076 0.000 1.146 109 P CA 1.268 64.410 63.100 0.069 0.000 0.808 109 P CB 0.342 32.061 31.700 0.032 0.000 0.779 110 E N 0.706 120.965 120.200 0.099 0.000 2.916 110 E HA 0.250 4.600 4.350 -0.000 0.000 0.217 110 E C -2.326 174.308 176.600 0.056 0.000 1.100 110 E CA -2.073 54.367 56.400 0.067 0.000 0.891 110 E CB 0.424 30.154 29.700 0.051 0.000 1.311 110 E HN 0.334 nan 8.360 nan 0.000 0.421 111 P HA 0.057 nan 4.420 nan 0.000 0.272 111 P C -0.226 177.024 177.300 -0.083 0.000 1.230 111 P CA -0.380 62.680 63.100 -0.067 0.000 0.788 111 P CB 1.079 32.741 31.700 -0.063 0.000 0.949 112 L N 2.694 123.807 121.223 -0.184 0.000 2.410 112 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 112 L C 1.742 178.600 176.870 -0.020 0.000 1.144 112 L CA 0.011 54.776 54.840 -0.125 0.000 0.863 112 L CB 0.186 42.066 42.059 -0.298 0.000 1.140 112 L HN 0.376 nan 8.230 nan 0.000 0.463 113 R N 1.574 122.198 120.500 0.206 0.000 2.492 113 R HA 0.148 4.488 4.340 -0.000 0.000 0.219 113 R C 0.063 176.654 176.300 0.485 0.000 0.886 113 R CA 0.173 56.488 56.100 0.359 0.000 1.003 113 R CB 0.655 31.062 30.300 0.178 0.000 1.345 113 R HN 0.818 nan 8.270 nan 0.000 0.631 114 E N -0.523 119.888 120.200 0.352 0.000 2.410 114 E HA 0.248 4.598 4.350 -0.000 0.000 0.269 114 E C 0.272 176.947 176.600 0.125 0.000 0.937 114 E CA -0.648 55.823 56.400 0.120 0.000 0.793 114 E CB 1.488 31.208 29.700 0.033 0.000 1.314 114 E HN -0.115 nan 8.360 nan 0.000 0.447 115 E N 0.475 120.601 120.200 -0.123 0.000 2.118 115 E HA -0.331 4.019 4.350 -0.000 0.000 0.195 115 E C 1.754 178.390 176.600 0.059 0.000 0.992 115 E CA 1.610 57.967 56.400 -0.072 0.000 0.804 115 E CB 0.105 29.709 29.700 -0.160 0.000 0.741 115 E HN 0.689 nan 8.360 nan 0.000 0.458 116 Q N 0.128 119.950 119.800 0.036 0.000 2.291 116 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 116 Q C 1.049 177.089 176.000 0.067 0.000 0.976 116 Q CA 1.473 57.302 55.803 0.043 0.000 0.875 116 Q CB 0.102 28.855 28.738 0.025 0.000 0.927 116 Q HN 0.291 nan 8.270 nan 0.000 0.450 117 D N 0.429 120.890 120.400 0.102 0.000 2.309 117 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 117 D C 1.642 177.990 176.300 0.080 0.000 0.968 117 D CA 0.642 54.697 54.000 0.092 0.000 0.882 117 D CB -0.022 40.847 40.800 0.116 0.000 0.918 117 D HN 0.370 nan 8.370 nan 0.000 0.503 118 L N 0.458 121.747 121.223 0.111 0.000 2.275 118 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 118 L C 2.033 178.933 176.870 0.050 0.000 1.119 118 L CA 0.840 55.730 54.840 0.083 0.000 0.790 118 L CB -0.329 41.799 42.059 0.115 0.000 0.919 118 L HN -0.037 nan 8.230 nan 0.000 0.443 119 E N 0.468 120.696 120.200 0.047 0.000 2.333 119 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 119 E C 1.965 178.580 176.600 0.024 0.000 1.007 119 E CA 0.758 57.178 56.400 0.033 0.000 0.845 119 E CB 0.035 29.753 29.700 0.030 0.000 0.766 119 E HN 0.549 nan 8.360 nan 0.000 0.507 120 R N 0.249 120.762 120.500 0.022 0.000 2.297 120 R HA 0.113 4.453 4.340 -0.000 0.000 0.197 120 R C 0.434 176.738 176.300 0.008 0.000 0.943 120 R CA -0.013 56.095 56.100 0.014 0.000 1.038 120 R CB -0.129 30.180 30.300 0.014 0.000 0.957 120 R HN 0.002 nan 8.270 nan 0.000 0.484 121 L N 1.960 123.187 121.223 0.006 0.000 2.436 121 L HA 0.294 4.634 4.340 -0.000 0.000 0.265 121 L C 0.644 177.516 176.870 0.003 0.000 1.168 121 L CA -0.730 54.109 54.840 -0.002 0.000 0.815 121 L CB 0.662 42.715 42.059 -0.009 0.000 1.109 121 L HN 0.112 nan 8.230 nan 0.000 0.462 122 R N 0.597 121.097 120.500 -0.001 0.000 2.707 122 R HA 0.046 4.386 4.340 -0.000 0.000 0.270 122 R C -0.253 176.053 176.300 0.009 0.000 1.083 122 R CA -0.655 55.447 56.100 0.003 0.000 1.182 122 R CB 0.368 30.667 30.300 -0.002 0.000 1.084 122 R HN 0.527 nan 8.270 nan 0.000 0.528 123 D N 2.421 122.830 120.400 0.015 0.000 2.417 123 D HA -0.010 4.630 4.640 -0.000 0.000 0.250 123 D C -1.378 174.935 176.300 0.022 0.000 1.166 123 D CA -1.657 52.356 54.000 0.022 0.000 0.881 123 D CB 1.104 41.918 40.800 0.024 0.000 1.164 123 D HN 0.237 nan 8.370 nan 0.000 0.467 124 P HA -0.158 nan 4.420 nan 0.000 0.221 124 P C 0.699 178.023 177.300 0.040 0.000 1.145 124 P CA 0.896 64.014 63.100 0.030 0.000 0.795 124 P CB 0.380 32.104 31.700 0.041 0.000 0.775 125 E N 0.132 120.357 120.200 0.042 0.000 2.265 125 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 125 E C 1.861 178.489 176.600 0.047 0.000 0.996 125 E CA 1.251 57.679 56.400 0.048 0.000 0.832 125 E CB -0.472 29.253 29.700 0.043 0.000 0.756 125 E HN 0.356 nan 8.360 nan 0.000 0.491 126 V N -2.639 117.295 119.914 0.034 0.000 3.647 126 V HA 0.075 4.195 4.120 -0.000 0.000 0.279 126 V C 2.011 178.116 176.094 0.018 0.000 1.314 126 V CA 0.107 62.426 62.300 0.030 0.000 1.125 126 V CB 0.040 31.876 31.823 0.022 0.000 0.907 126 V HN -0.090 nan 8.190 nan 0.000 0.434 127 V N 1.555 121.475 119.914 0.009 0.000 2.343 127 V HA -0.174 3.945 4.120 -0.000 0.000 0.247 127 V C 3.126 179.189 176.094 -0.051 0.000 1.051 127 V CA 2.379 64.658 62.300 -0.036 0.000 1.036 127 V CB -1.092 30.698 31.823 -0.056 0.000 0.654 127 V HN 0.660 nan 8.190 nan 0.000 0.451 128 A N 0.843 123.695 122.820 0.052 0.000 1.940 128 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 128 A C 2.514 180.160 177.584 0.102 0.000 1.176 128 A CA 2.268 54.404 52.037 0.165 0.000 0.631 128 A CB -0.709 18.496 19.000 0.342 0.000 0.814 128 A HN 0.695 nan 8.150 nan 0.000 0.446 129 S N -0.267 115.482 115.700 0.081 0.000 2.402 129 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 129 S C 1.458 176.054 174.600 -0.007 0.000 1.021 129 S CA 1.173 59.412 58.200 0.064 0.000 0.974 129 S CB -0.289 62.949 63.200 0.063 0.000 0.800 129 S HN 0.548 nan 8.310 nan 0.000 0.484 130 E N 1.298 121.471 120.200 -0.045 0.000 2.347 130 E HA 0.134 4.484 4.350 -0.000 0.000 0.196 130 E C 1.207 177.722 176.600 -0.141 0.000 1.008 130 E CA 0.480 56.848 56.400 -0.053 0.000 0.852 130 E CB -0.201 29.466 29.700 -0.053 0.000 0.783 130 E HN 0.586 nan 8.360 nan 0.000 0.505 131 L N 0.059 121.064 121.223 -0.362 0.000 2.791 131 L HA 0.240 4.580 4.340 -0.000 0.000 0.239 131 L C 1.841 178.098 176.870 -1.021 0.000 1.203 131 L CA -0.199 54.165 54.840 -0.792 0.000 1.002 131 L CB 0.270 41.780 42.059 -0.916 0.000 1.295 131 L HN 0.035 nan 8.230 nan 0.000 0.504 132 G N 0.609 109.101 108.800 -0.513 0.000 2.450 132 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.220 132 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.220 132 G C 1.335 176.118 174.900 -0.195 0.000 1.130 132 G CA 1.152 46.085 45.100 -0.278 0.000 0.760 132 G HN 0.620 nan 8.290 nan 0.000 0.557 133 Y N 0.075 120.290 120.300 -0.143 0.000 2.333 133 Y HA 0.073 4.623 4.550 -0.000 0.000 0.290 133 Y C 2.339 178.206 175.900 -0.055 0.000 1.144 133 Y CA 0.754 58.814 58.100 -0.067 0.000 1.228 133 Y CB -0.678 37.749 38.460 -0.054 0.000 0.985 133 Y HN 0.018 nan 8.280 nan 0.000 0.542 134 V N 0.147 119.716 119.914 -0.575 0.000 2.379 134 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 134 V C 2.105 178.187 176.094 -0.019 0.000 1.044 134 V CA 1.390 63.519 62.300 -0.285 0.000 1.036 134 V CB -0.863 30.749 31.823 -0.351 0.000 0.664 134 V HN 0.307 nan 8.190 nan 0.000 0.453 135 F N 0.876 120.810 119.950 -0.026 0.000 2.171 135 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 135 F C 2.555 178.382 175.800 0.046 0.000 1.090 135 F CA 1.068 59.075 58.000 0.012 0.000 1.293 135 F CB -1.306 37.708 39.000 0.023 0.000 1.013 135 F HN 0.211 nan 8.300 nan 0.000 0.486 136 Q N -0.112 119.821 119.800 0.221 0.000 2.084 136 Q HA -0.132 4.207 4.340 -0.000 0.000 0.202 136 Q C 2.516 178.604 176.000 0.147 0.000 0.978 136 Q CA 1.619 57.525 55.803 0.171 0.000 0.844 136 Q CB -0.468 28.357 28.738 0.145 0.000 0.898 136 Q HN 0.393 nan 8.270 nan 0.000 0.426 137 A N 0.652 123.555 122.820 0.139 0.000 1.930 137 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 137 A C 2.020 179.671 177.584 0.112 0.000 1.175 137 A CA 1.028 53.140 52.037 0.125 0.000 0.627 137 A CB -0.558 18.526 19.000 0.140 0.000 0.815 137 A HN 0.304 nan 8.150 nan 0.000 0.443 138 I N -0.520 120.119 120.570 0.116 0.000 2.179 138 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 138 I C 2.620 178.773 176.117 0.060 0.000 1.088 138 I CA 1.815 63.160 61.300 0.075 0.000 1.357 138 I CB -0.611 37.437 38.000 0.079 0.000 1.051 138 I HN 0.256 nan 8.210 nan 0.000 0.409 139 T N 1.214 115.848 114.554 0.134 0.000 2.708 139 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 139 T C 1.843 176.668 174.700 0.207 0.000 1.037 139 T CA 1.400 63.639 62.100 0.232 0.000 1.146 139 T CB -0.372 68.658 68.868 0.270 0.000 0.865 139 T HN 0.180 nan 8.240 nan 0.000 0.435 140 L N 1.156 122.466 121.223 0.144 0.000 2.017 140 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 140 L C 2.491 179.414 176.870 0.089 0.000 1.073 140 L CA 1.930 56.839 54.840 0.114 0.000 0.745 140 L CB -1.234 40.879 42.059 0.091 0.000 0.894 140 L HN 0.189 nan 8.230 nan 0.000 0.432 141 T N -0.784 113.811 114.554 0.067 0.000 2.788 141 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 141 T C 1.957 176.665 174.700 0.012 0.000 1.044 141 T CA 1.511 63.636 62.100 0.041 0.000 1.139 141 T CB -0.294 68.599 68.868 0.042 0.000 0.867 141 T HN 0.281 nan 8.240 nan 0.000 0.454 142 R N 1.311 121.794 120.500 -0.029 0.000 2.081 142 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 142 R C 2.348 178.660 176.300 0.021 0.000 1.131 142 R CA 1.571 57.595 56.100 -0.127 0.000 0.960 142 R CB -0.367 29.661 30.300 -0.453 0.000 0.856 142 R HN 0.447 nan 8.270 nan 0.000 0.436 143 Q N -0.506 119.380 119.800 0.144 0.000 2.016 143 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 143 Q C 2.125 178.184 176.000 0.098 0.000 0.978 143 Q CA 1.447 57.360 55.803 0.183 0.000 0.833 143 Q CB -0.047 28.802 28.738 0.185 0.000 0.895 143 Q HN 0.218 nan 8.270 nan 0.000 0.427 144 R N 0.439 120.981 120.500 0.070 0.000 2.120 144 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 144 R C 2.195 178.515 176.300 0.034 0.000 1.123 144 R CA 0.811 56.938 56.100 0.046 0.000 0.975 144 R CB -0.495 29.827 30.300 0.037 0.000 0.866 144 R HN 0.325 nan 8.270 nan 0.000 0.446 145 L N 0.577 121.816 121.223 0.027 0.000 2.265 145 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 145 L C 1.011 177.895 176.870 0.023 0.000 1.117 145 L CA 0.822 55.671 54.840 0.015 0.000 0.782 145 L CB -0.357 41.700 42.059 -0.005 0.000 0.914 145 L HN 0.235 nan 8.230 nan 0.000 0.441 146 A N 0.022 122.864 122.820 0.038 0.000 2.783 146 A HA -0.176 4.144 4.320 -0.000 0.000 0.292 146 A C 1.348 178.956 177.584 0.041 0.000 1.495 146 A CA 0.796 52.862 52.037 0.047 0.000 0.787 146 A CB -2.100 16.923 19.000 0.038 0.000 1.017 146 A HN 0.983 nan 8.150 nan 0.000 0.516 147 G N -1.513 107.308 108.800 0.035 0.000 2.168 147 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.263 147 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.263 147 G C 0.874 175.790 174.900 0.027 0.000 0.977 147 G CA 1.440 46.559 45.100 0.031 0.000 0.659 147 G HN 1.452 nan 8.290 nan 0.000 0.533 148 R N 0.008 120.521 120.500 0.022 0.000 2.083 148 R HA 0.146 4.486 4.340 -0.000 0.000 0.237 148 R C 1.301 177.619 176.300 0.030 0.000 1.137 148 R CA 2.444 58.559 56.100 0.026 0.000 0.951 148 R CB -0.169 30.145 30.300 0.023 0.000 0.851 148 R HN 1.138 nan 8.270 nan 0.000 0.434 149 V N -4.456 115.466 119.914 0.013 0.000 3.232 149 V HA 0.530 4.650 4.120 -0.000 0.000 0.303 149 V C -2.898 173.178 176.094 -0.030 0.000 1.311 149 V CA -2.719 59.586 62.300 0.008 0.000 1.061 149 V CB 1.710 33.531 31.823 -0.004 0.000 1.085 149 V HN -0.042 nan 8.190 nan 0.000 0.447 150 P HA 0.435 nan 4.420 nan 0.000 0.272 150 P C -1.048 176.146 177.300 -0.177 0.000 1.223 150 P CA -0.135 62.928 63.100 -0.062 0.000 0.784 150 P CB 0.554 32.288 31.700 0.057 0.000 0.923 151 L N 3.596 124.726 121.223 -0.154 0.000 2.287 151 L HA 0.440 4.780 4.340 -0.000 0.000 0.287 151 L C -0.820 175.948 176.870 -0.171 0.000 1.022 151 L CA -0.342 54.395 54.840 -0.172 0.000 0.814 151 L CB 0.169 42.148 42.059 -0.134 0.000 1.217 151 L HN 0.223 nan 8.230 nan 0.000 0.420 152 I N 4.943 125.368 120.570 -0.242 0.000 2.365 152 I HA 0.488 4.658 4.170 -0.000 0.000 0.291 152 I C 0.951 177.058 176.117 -0.017 0.000 1.004 152 I CA -0.238 60.949 61.300 -0.188 0.000 1.311 152 I CB 1.348 39.085 38.000 -0.439 0.000 1.401 152 I HN 0.748 nan 8.210 nan 0.000 0.491 153 G N 5.216 114.038 108.800 0.038 0.000 2.488 153 G HA2 0.760 4.720 3.960 -0.000 0.000 0.318 153 G HA3 0.760 4.720 3.960 -0.000 0.000 0.318 153 G C -1.057 173.986 174.900 0.239 0.000 1.188 153 G CA -0.325 44.820 45.100 0.075 0.000 0.944 153 G HN 0.633 nan 8.290 nan 0.000 0.495 154 F N -2.146 117.829 119.950 0.042 0.000 2.807 154 F HA 0.819 5.346 4.527 -0.000 0.000 0.316 154 F C -0.645 175.266 175.800 0.184 0.000 1.162 154 F CA -1.034 57.075 58.000 0.182 0.000 0.910 154 F CB 1.096 40.336 39.000 0.399 0.000 1.314 154 F HN 1.076 nan 8.300 nan 0.000 0.454 155 A N 0.548 123.620 122.820 0.420 0.000 2.610 155 A HA 0.795 5.115 4.320 -0.000 0.000 0.291 155 A C -0.723 177.184 177.584 0.538 0.000 1.086 155 A CA -0.501 51.736 52.037 0.335 0.000 0.677 155 A CB 0.884 20.055 19.000 0.286 0.000 1.278 155 A HN 1.883 nan 8.150 nan 0.000 0.414 156 G N -0.234 108.808 108.800 0.404 0.000 2.476 156 G HA2 0.665 4.625 3.960 -0.000 0.000 0.269 156 G HA3 0.665 4.625 3.960 -0.000 0.000 0.269 156 G C 0.345 175.429 174.900 0.308 0.000 1.195 156 G CA 0.352 45.676 45.100 0.373 0.000 0.843 156 G HN 1.732 nan 8.290 nan 0.000 0.545 157 A N 2.562 125.558 122.820 0.294 0.000 2.332 157 A HA 0.593 4.913 4.320 -0.000 0.000 0.258 157 A C -0.887 176.820 177.584 0.205 0.000 1.087 157 A CA -1.013 51.177 52.037 0.255 0.000 0.802 157 A CB 0.673 19.827 19.000 0.256 0.000 1.042 157 A HN 0.444 nan 8.150 nan 0.000 0.489 158 P HA -0.208 nan 4.420 nan 0.000 0.215 158 P C 1.564 178.936 177.300 0.121 0.000 1.163 158 P CA 1.815 64.989 63.100 0.123 0.000 0.894 158 P CB -0.192 31.569 31.700 0.101 0.000 0.791 159 W N 0.155 121.469 121.300 0.023 0.000 2.355 159 W HA -0.179 4.481 4.660 -0.000 0.000 0.309 159 W C 1.492 178.037 176.519 0.044 0.000 1.206 159 W CA 1.879 59.229 57.345 0.008 0.000 1.284 159 W CB -1.163 28.315 29.460 0.030 0.000 1.145 159 W HN -0.068 nan 8.180 nan 0.000 0.502 160 T N 2.362 116.826 114.554 -0.149 0.000 2.720 160 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 160 T C 1.976 176.589 174.700 -0.145 0.000 1.037 160 T CA 1.914 63.855 62.100 -0.265 0.000 1.144 160 T CB -0.560 68.301 68.868 -0.012 0.000 0.864 160 T HN 0.153 nan 8.240 nan 0.000 0.444 161 L N 0.439 121.651 121.223 -0.019 0.000 2.056 161 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 161 L C 2.639 179.431 176.870 -0.130 0.000 1.078 161 L CA 1.270 56.128 54.840 0.030 0.000 0.749 161 L CB -0.527 41.551 42.059 0.032 0.000 0.901 161 L HN 0.350 nan 8.230 nan 0.000 0.433 162 M N 0.144 119.595 119.600 -0.248 0.000 2.108 162 M HA -0.229 4.251 4.480 -0.000 0.000 0.261 162 M C 2.405 178.381 176.300 -0.540 0.000 1.066 162 M CA 2.474 57.549 55.300 -0.375 0.000 1.107 162 M CB -0.298 32.117 32.600 -0.308 0.000 1.356 162 M HN 0.381 nan 8.290 nan 0.000 0.406 163 T N -1.418 112.697 114.554 -0.733 0.000 2.720 163 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 163 T C 1.511 175.902 174.700 -0.516 0.000 1.037 163 T CA 1.737 63.382 62.100 -0.760 0.000 1.144 163 T CB -1.170 67.181 68.868 -0.861 0.000 0.864 163 T HN 0.567 nan 8.240 nan 0.000 0.444 164 Y N 1.432 121.569 120.300 -0.271 0.000 2.242 164 Y HA 0.151 4.701 4.550 -0.000 0.000 0.291 164 Y C 2.789 178.420 175.900 -0.448 0.000 1.137 164 Y CA 1.168 59.169 58.100 -0.164 0.000 1.181 164 Y CB -0.554 37.932 38.460 0.044 0.000 0.989 164 Y HN 0.189 nan 8.280 nan 0.000 0.527 165 M N -1.462 117.850 119.600 -0.480 0.000 2.175 165 M HA -0.176 4.304 4.480 -0.000 0.000 0.264 165 M C 1.863 177.816 176.300 -0.580 0.000 1.063 165 M CA 1.184 56.031 55.300 -0.754 0.000 1.119 165 M CB -0.350 31.894 32.600 -0.593 0.000 1.377 165 M HN 0.061 nan 8.290 nan 0.000 0.415 166 V N -0.560 119.030 119.914 -0.540 0.000 2.500 166 V HA -0.084 4.036 4.120 -0.000 0.000 0.243 166 V C 2.217 178.115 176.094 -0.327 0.000 1.039 166 V CA 1.230 63.210 62.300 -0.534 0.000 1.053 166 V CB -0.404 30.949 31.823 -0.782 0.000 0.695 166 V HN 0.326 nan 8.190 nan 0.000 0.463 167 E N 0.397 120.419 120.200 -0.296 0.000 2.208 167 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 167 E C 1.967 178.520 176.600 -0.078 0.000 0.988 167 E CA 1.014 57.301 56.400 -0.188 0.000 0.828 167 E CB -0.197 29.361 29.700 -0.237 0.000 0.763 167 E HN 0.640 nan 8.360 nan 0.000 0.478 168 G N 0.320 109.100 108.800 -0.032 0.000 2.176 168 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 168 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 168 G C 0.583 175.665 174.900 0.303 0.000 0.979 168 G CA 0.678 45.876 45.100 0.163 0.000 0.641 168 G HN 0.766 nan 8.290 nan 0.000 0.530 169 G N -1.759 107.195 108.800 0.255 0.000 2.367 169 G HA2 0.635 4.595 3.960 -0.000 0.000 0.272 169 G HA3 0.635 4.595 3.960 -0.000 0.000 0.272 169 G C 0.386 175.353 174.900 0.112 0.000 1.271 169 G CA 0.699 45.983 45.100 0.306 0.000 0.893 169 G HN 1.670 nan 8.290 nan 0.000 0.485 170 G N -0.944 107.923 108.800 0.112 0.000 2.651 170 G HA2 0.612 4.572 3.960 -0.000 0.000 0.260 170 G HA3 0.612 4.572 3.960 -0.000 0.000 0.260 170 G C 0.064 174.885 174.900 -0.132 0.000 1.216 170 G CA 1.020 46.095 45.100 -0.042 0.000 0.913 170 G HN 1.745 nan 8.290 nan 0.000 0.535 171 S N -2.279 113.292 115.700 -0.215 0.000 2.558 171 S HA 0.367 4.837 4.470 -0.000 0.000 0.277 171 S C 0.784 175.279 174.600 -0.176 0.000 1.143 171 S CA 0.294 58.378 58.200 -0.193 0.000 0.865 171 S CB 1.041 64.082 63.200 -0.266 0.000 1.102 171 S HN 1.268 nan 8.310 nan 0.000 0.454 172 S N 1.600 117.261 115.700 -0.064 0.000 2.527 172 S HA 0.054 4.524 4.470 -0.000 0.000 0.222 172 S C 1.310 175.966 174.600 0.094 0.000 0.985 172 S CA 1.149 59.373 58.200 0.039 0.000 0.921 172 S CB -0.385 62.842 63.200 0.045 0.000 0.772 172 S HN 1.106 nan 8.310 nan 0.000 0.529 173 T N -2.778 111.752 114.554 -0.040 0.000 2.969 173 T HA 0.312 4.661 4.350 -0.000 0.000 0.258 173 T C 0.635 175.266 174.700 -0.114 0.000 0.962 173 T CA -0.032 62.077 62.100 0.015 0.000 0.903 173 T CB -0.141 68.742 68.868 0.025 0.000 1.177 173 T HN 0.114 nan 8.240 nan 0.000 0.511 174 M N 0.900 120.310 119.600 -0.316 0.000 2.393 174 M HA -0.215 4.264 4.480 -0.000 0.000 0.201 174 M C 1.357 177.623 176.300 -0.056 0.000 0.403 174 M CA 0.745 55.878 55.300 -0.279 0.000 0.471 174 M CB -2.593 29.809 32.600 -0.330 0.000 1.669 174 M HN 0.620 nan 8.290 nan 0.000 0.864 175 A N -0.497 122.304 122.820 -0.032 0.000 1.972 175 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 175 A C 2.074 179.689 177.584 0.052 0.000 1.169 175 A CA 1.554 53.610 52.037 0.031 0.000 0.635 175 A CB -0.114 18.899 19.000 0.021 0.000 0.810 175 A HN 0.660 nan 8.150 nan 0.000 0.446 176 Q N -0.609 119.197 119.800 0.010 0.000 2.083 176 Q HA -0.016 4.324 4.340 -0.000 0.000 0.198 176 Q C 2.444 178.486 176.000 0.070 0.000 0.969 176 Q CA 1.517 57.347 55.803 0.045 0.000 0.838 176 Q CB -0.651 28.080 28.738 -0.010 0.000 0.900 176 Q HN 0.639 nan 8.270 nan 0.000 0.436 177 A N 1.473 124.272 122.820 -0.035 0.000 1.898 177 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 177 A C 2.065 179.773 177.584 0.208 0.000 1.181 177 A CA 1.369 53.380 52.037 -0.044 0.000 0.620 177 A CB -0.262 18.590 19.000 -0.246 0.000 0.819 177 A HN 0.230 nan 8.150 nan 0.000 0.442 178 K N -0.779 119.760 120.400 0.231 0.000 2.148 178 K HA -0.062 4.257 4.320 -0.000 0.000 0.204 178 K C 2.300 179.022 176.600 0.204 0.000 1.050 178 K CA 0.920 57.316 56.287 0.181 0.000 0.942 178 K CB -0.134 32.490 32.500 0.208 0.000 0.724 178 K HN 0.320 nan 8.250 nan 0.000 0.446 179 R N -0.017 120.617 120.500 0.223 0.000 2.096 179 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 179 R C 1.739 178.167 176.300 0.213 0.000 1.127 179 R CA 1.451 57.683 56.100 0.221 0.000 0.968 179 R CB -0.134 30.270 30.300 0.173 0.000 0.861 179 R HN 0.282 nan 8.270 nan 0.000 0.440 180 W N 1.089 122.371 121.300 -0.030 0.000 2.358 180 W HA -0.122 4.538 4.660 -0.000 0.000 0.303 180 W C 2.075 178.475 176.519 -0.199 0.000 1.208 180 W CA 1.083 58.377 57.345 -0.085 0.000 1.274 180 W CB -0.586 28.818 29.460 -0.093 0.000 1.138 180 W HN 0.052 nan 8.180 nan 0.000 0.515 181 L N -1.513 119.634 121.223 -0.125 0.000 2.042 181 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 181 L C 2.143 178.763 176.870 -0.417 0.000 1.076 181 L CA 1.463 55.891 54.840 -0.687 0.000 0.749 181 L CB -1.156 40.264 42.059 -1.065 0.000 0.893 181 L HN 0.030 nan 8.230 nan 0.000 0.432 182 Y N -0.177 120.069 120.300 -0.090 0.000 2.314 182 Y HA -0.107 4.443 4.550 -0.000 0.000 0.294 182 Y C 2.679 178.571 175.900 -0.013 0.000 1.119 182 Y CA 0.892 58.984 58.100 -0.012 0.000 1.179 182 Y CB -0.138 38.320 38.460 -0.003 0.000 1.025 182 Y HN 0.191 nan 8.280 nan 0.000 0.541 183 Q N -0.418 119.446 119.800 0.106 0.000 2.373 183 Q HA 0.149 4.489 4.340 -0.000 0.000 0.210 183 Q C 0.322 176.275 176.000 -0.078 0.000 0.913 183 Q CA 0.446 56.255 55.803 0.010 0.000 0.911 183 Q CB 0.419 29.142 28.738 -0.026 0.000 1.040 183 Q HN 0.303 nan 8.270 nan 0.000 0.521 184 R N 1.098 121.512 120.500 -0.142 0.000 2.886 184 R HA 0.189 4.528 4.340 -0.000 0.000 0.306 184 R C -2.104 174.140 176.300 -0.093 0.000 1.300 184 R CA -1.227 54.737 56.100 -0.228 0.000 1.441 184 R CB 0.730 30.662 30.300 -0.613 0.000 1.328 184 R HN 0.052 nan 8.270 nan 0.000 0.629 185 P HA -0.210 nan 4.420 nan 0.000 0.216 185 P C 0.912 178.350 177.300 0.230 0.000 1.150 185 P CA 1.309 64.505 63.100 0.159 0.000 0.837 185 P CB 0.433 32.308 31.700 0.292 0.000 0.786 186 Q N -0.202 119.706 119.800 0.180 0.000 2.050 186 Q HA -0.093 4.246 4.340 -0.000 0.000 0.202 186 Q C 2.462 178.568 176.000 0.176 0.000 0.980 186 Q CA 1.739 57.667 55.803 0.209 0.000 0.840 186 Q CB -0.675 28.133 28.738 0.117 0.000 0.898 186 Q HN 0.182 nan 8.270 nan 0.000 0.424 187 A N 0.447 123.308 122.820 0.067 0.000 1.933 187 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 187 A C 2.262 180.001 177.584 0.259 0.000 1.175 187 A CA 1.684 53.773 52.037 0.087 0.000 0.628 187 A CB -0.477 18.421 19.000 -0.170 0.000 0.814 187 A HN 0.238 nan 8.150 nan 0.000 0.444 188 S N -0.890 114.950 115.700 0.232 0.000 2.348 188 S HA -0.155 4.315 4.470 -0.000 0.000 0.221 188 S C 1.943 176.632 174.600 0.147 0.000 1.033 188 S CA 1.248 59.578 58.200 0.217 0.000 1.010 188 S CB -0.575 62.588 63.200 -0.062 0.000 0.891 188 S HN 0.713 nan 8.310 nan 0.000 0.442 189 H N 1.220 120.475 119.070 0.308 0.000 2.387 189 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 189 H C 2.399 177.810 175.328 0.138 0.000 1.099 189 H CA 1.524 57.736 56.048 0.273 0.000 1.315 189 H CB -0.491 29.452 29.762 0.301 0.000 1.380 189 H HN 0.490 nan 8.280 nan 0.000 0.513 190 Q N 0.288 120.242 119.800 0.257 0.000 2.061 190 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 190 Q C 2.389 178.452 176.000 0.105 0.000 0.984 190 Q CA 1.481 57.385 55.803 0.168 0.000 0.846 190 Q CB -0.106 28.722 28.738 0.151 0.000 0.902 190 Q HN 0.276 nan 8.270 nan 0.000 0.421 191 L N 0.580 121.866 121.223 0.104 0.000 2.046 191 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 191 L C 2.055 178.881 176.870 -0.072 0.000 1.077 191 L CA 1.584 56.438 54.840 0.023 0.000 0.747 191 L CB -0.495 41.571 42.059 0.011 0.000 0.896 191 L HN 0.293 nan 8.230 nan 0.000 0.432 192 L N -0.762 120.364 121.223 -0.162 0.000 2.083 192 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 192 L C 2.724 179.336 176.870 -0.430 0.000 1.083 192 L CA 1.248 55.821 54.840 -0.445 0.000 0.752 192 L CB -0.537 40.980 42.059 -0.904 0.000 0.899 192 L HN 0.279 nan 8.230 nan 0.000 0.433 193 R N 0.918 121.305 120.500 -0.189 0.000 2.073 193 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 193 R C 2.046 178.381 176.300 0.058 0.000 1.120 193 R CA 1.528 57.672 56.100 0.073 0.000 0.967 193 R CB -0.611 29.803 30.300 0.190 0.000 0.862 193 R HN 0.247 nan 8.270 nan 0.000 0.436 194 I N 0.259 120.846 120.570 0.028 0.000 2.208 194 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 194 I C 2.046 178.176 176.117 0.023 0.000 1.097 194 I CA 1.298 62.616 61.300 0.030 0.000 1.363 194 I CB -0.242 37.767 38.000 0.016 0.000 1.051 194 I HN 0.170 nan 8.210 nan 0.000 0.413 195 L N -0.153 121.067 121.223 -0.005 0.000 2.046 195 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 195 L C 2.630 179.539 176.870 0.065 0.000 1.077 195 L CA 1.611 56.457 54.840 0.010 0.000 0.747 195 L CB -0.841 41.205 42.059 -0.022 0.000 0.896 195 L HN 0.248 nan 8.230 nan 0.000 0.432 196 T N -0.993 113.612 114.554 0.084 0.000 2.708 196 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 196 T C 1.412 176.194 174.700 0.137 0.000 1.037 196 T CA 1.572 63.766 62.100 0.157 0.000 1.146 196 T CB -0.282 68.740 68.868 0.256 0.000 0.865 196 T HN 0.299 nan 8.240 nan 0.000 0.435 197 D N 1.093 121.561 120.400 0.114 0.000 2.263 197 D HA 0.030 4.670 4.640 -0.000 0.000 0.208 197 D C 2.107 178.463 176.300 0.093 0.000 0.971 197 D CA 0.940 54.999 54.000 0.099 0.000 0.867 197 D CB -0.256 40.595 40.800 0.084 0.000 0.929 197 D HN 0.448 nan 8.370 nan 0.000 0.492 198 A N -0.052 122.820 122.820 0.087 0.000 1.943 198 A HA 0.068 4.388 4.320 -0.000 0.000 0.213 198 A C 2.247 179.916 177.584 0.141 0.000 1.181 198 A CA 0.221 52.307 52.037 0.082 0.000 0.653 198 A CB -0.459 18.562 19.000 0.034 0.000 0.833 198 A HN 0.146 nan 8.150 nan 0.000 0.451 199 L N -0.371 120.950 121.223 0.163 0.000 2.056 199 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 199 L C 2.511 179.513 176.870 0.220 0.000 1.078 199 L CA 0.899 55.881 54.840 0.238 0.000 0.749 199 L CB -0.507 41.682 42.059 0.217 0.000 0.901 199 L HN 0.230 nan 8.230 nan 0.000 0.433 200 V N 0.569 120.582 119.914 0.165 0.000 2.233 200 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 200 V C -0.217 175.952 176.094 0.124 0.000 1.050 200 V CA 2.333 64.710 62.300 0.127 0.000 1.010 200 V CB -1.782 30.103 31.823 0.103 0.000 0.637 200 V HN 0.376 nan 8.190 nan 0.000 0.444 201 P HA -0.193 nan 4.420 nan 0.000 0.220 201 P C 1.496 178.940 177.300 0.240 0.000 1.148 201 P CA 1.576 64.762 63.100 0.143 0.000 0.803 201 P CB -0.135 31.644 31.700 0.132 0.000 0.782 202 Y N 1.313 121.698 120.300 0.141 0.000 2.133 202 Y HA -0.114 4.436 4.550 -0.000 0.000 0.287 202 Y C 2.346 178.364 175.900 0.198 0.000 1.134 202 Y CA 1.168 59.404 58.100 0.226 0.000 1.133 202 Y CB -1.333 37.194 38.460 0.111 0.000 0.987 202 Y HN -0.254 nan 8.280 nan 0.000 0.502 203 L N -1.127 120.090 121.223 -0.009 0.000 2.046 203 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 203 L C 2.440 179.250 176.870 -0.101 0.000 1.077 203 L CA 1.165 55.919 54.840 -0.144 0.000 0.747 203 L CB -0.773 41.270 42.059 -0.028 0.000 0.896 203 L HN 0.085 nan 8.230 nan 0.000 0.432 204 V N 0.156 120.044 119.914 -0.044 0.000 2.287 204 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 204 V C 2.605 178.591 176.094 -0.180 0.000 1.053 204 V CA 2.100 64.357 62.300 -0.072 0.000 1.027 204 V CB -1.261 30.543 31.823 -0.031 0.000 0.646 204 V HN 0.589 nan 8.190 nan 0.000 0.447 205 G N -1.458 107.179 108.800 -0.271 0.000 2.432 205 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 205 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 205 G C 1.492 175.863 174.900 -0.882 0.000 1.135 205 G CA 0.708 45.313 45.100 -0.825 0.000 0.767 205 G HN 0.546 nan 8.290 nan 0.000 0.550 206 Q N -0.379 119.200 119.800 -0.369 0.000 2.124 206 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 206 Q C 2.832 178.739 176.000 -0.154 0.000 0.977 206 Q CA 1.185 56.892 55.803 -0.160 0.000 0.850 206 Q CB -0.125 28.507 28.738 -0.177 0.000 0.901 206 Q HN 0.427 nan 8.270 nan 0.000 0.429 207 V N -0.051 119.772 119.914 -0.152 0.000 2.379 207 V HA -0.189 3.930 4.120 -0.000 0.000 0.245 207 V C 2.223 178.268 176.094 -0.082 0.000 1.044 207 V CA 1.126 63.370 62.300 -0.094 0.000 1.036 207 V CB -0.308 31.479 31.823 -0.060 0.000 0.664 207 V HN 0.162 nan 8.190 nan 0.000 0.453 208 V N 0.654 120.490 119.914 -0.130 0.000 2.380 208 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 208 V C 2.590 178.664 176.094 -0.033 0.000 1.063 208 V CA 2.175 64.417 62.300 -0.097 0.000 1.055 208 V CB -1.048 30.666 31.823 -0.181 0.000 0.657 208 V HN 0.577 nan 8.190 nan 0.000 0.455 209 A N -1.242 121.518 122.820 -0.099 0.000 2.167 209 A HA 0.347 4.667 4.320 -0.000 0.000 0.214 209 A C 1.933 179.572 177.584 0.091 0.000 1.151 209 A CA 1.426 53.488 52.037 0.041 0.000 0.735 209 A CB -0.205 18.820 19.000 0.042 0.000 0.802 209 A HN 1.064 nan 8.150 nan 0.000 0.467 210 G N -2.670 106.099 108.800 -0.052 0.000 2.485 210 G HA2 0.241 4.201 3.960 -0.000 0.000 0.181 210 G HA3 0.241 4.201 3.960 -0.000 0.000 0.181 210 G C 0.394 175.116 174.900 -0.296 0.000 0.999 210 G CA -0.035 44.844 45.100 -0.368 0.000 0.721 210 G HN 1.352 nan 8.290 nan 0.000 0.486 211 A N 0.274 123.003 122.820 -0.152 0.000 2.511 211 A HA 0.584 4.904 4.320 -0.000 0.000 0.242 211 A C 0.995 178.528 177.584 -0.086 0.000 1.069 211 A CA 1.167 53.138 52.037 -0.110 0.000 0.763 211 A CB 0.262 19.217 19.000 -0.075 0.000 1.001 211 A HN 0.462 nan 8.150 nan 0.000 0.498 212 Q N 0.202 119.963 119.800 -0.065 0.000 2.247 212 Q HA 0.454 4.794 4.340 -0.000 0.000 0.211 212 Q C 0.099 176.121 176.000 0.037 0.000 0.861 212 Q CA 0.647 56.445 55.803 -0.008 0.000 0.949 212 Q CB 0.646 29.380 28.738 -0.006 0.000 1.115 212 Q HN 0.922 nan 8.270 nan 0.000 0.507 213 A N 0.467 123.301 122.820 0.022 0.000 2.608 213 A HA 0.709 5.029 4.320 -0.000 0.000 0.292 213 A C -1.944 175.657 177.584 0.028 0.000 1.066 213 A CA -0.638 51.422 52.037 0.039 0.000 0.676 213 A CB 1.124 20.238 19.000 0.190 0.000 1.277 213 A HN 0.139 nan 8.150 nan 0.000 0.413 214 L N 0.633 121.882 121.223 0.043 0.000 2.401 214 L HA 0.683 5.023 4.340 -0.000 0.000 0.266 214 L C -0.405 176.553 176.870 0.147 0.000 0.991 214 L CA -0.451 54.440 54.840 0.086 0.000 0.818 214 L CB 2.362 44.460 42.059 0.065 0.000 1.321 214 L HN 0.890 nan 8.230 nan 0.000 0.413 215 Q N 2.475 122.404 119.800 0.215 0.000 2.340 215 Q HA 0.568 4.908 4.340 -0.000 0.000 0.268 215 Q C -1.791 174.357 176.000 0.247 0.000 1.031 215 Q CA -0.758 55.145 55.803 0.167 0.000 0.804 215 Q CB 2.453 31.221 28.738 0.049 0.000 1.286 215 Q HN 0.522 nan 8.270 nan 0.000 0.448 216 L N 4.512 125.847 121.223 0.185 0.000 2.272 216 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 216 L C -1.606 175.375 176.870 0.184 0.000 1.032 216 L CA -0.015 54.988 54.840 0.273 0.000 0.810 216 L CB 0.722 42.943 42.059 0.270 0.000 1.205 216 L HN 0.637 nan 8.230 nan 0.000 0.422 217 F N 3.483 123.626 119.950 0.322 0.000 2.335 217 F HA 0.281 4.808 4.527 -0.000 0.000 0.365 217 F C 0.677 176.619 175.800 0.237 0.000 1.122 217 F CA -0.368 57.834 58.000 0.336 0.000 1.151 217 F CB 0.807 40.013 39.000 0.344 0.000 1.282 217 F HN 0.484 nan 8.300 nan 0.000 0.513 218 E N 1.467 121.840 120.200 0.290 0.000 2.280 218 E HA 0.167 4.517 4.350 -0.000 0.000 0.279 218 E C 0.716 177.415 176.600 0.165 0.000 1.325 218 E CA -0.003 56.544 56.400 0.244 0.000 1.486 218 E CB -0.042 29.807 29.700 0.247 0.000 1.466 218 E HN 0.464 nan 8.360 nan 0.000 0.473 219 S N 0.546 116.357 115.700 0.184 0.000 2.442 219 S HA -0.128 4.342 4.470 -0.000 0.000 0.236 219 S C 0.693 175.418 174.600 0.208 0.000 1.007 219 S CA 0.884 59.165 58.200 0.135 0.000 0.965 219 S CB -0.304 63.008 63.200 0.188 0.000 0.773 219 S HN 0.634 nan 8.310 nan 0.000 0.504 220 H N -0.074 119.141 119.070 0.242 0.000 2.488 220 H HA 0.454 5.010 4.556 -0.000 0.000 0.294 220 H C 1.739 177.431 175.328 0.606 0.000 1.088 220 H CA -0.054 56.208 56.048 0.357 0.000 1.086 220 H CB 0.191 30.028 29.762 0.125 0.000 1.569 220 H HN 0.377 nan 8.280 nan 0.000 0.548 221 A N 0.612 123.758 122.820 0.543 0.000 1.933 221 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 221 A C 2.583 180.442 177.584 0.457 0.000 1.175 221 A CA 1.473 53.848 52.037 0.563 0.000 0.628 221 A CB -0.913 18.264 19.000 0.295 0.000 0.814 221 A HN 0.545 nan 8.150 nan 0.000 0.444 222 G N -1.465 107.477 108.800 0.237 0.000 2.479 222 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 222 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 222 G C 1.364 176.289 174.900 0.042 0.000 1.115 222 G CA 1.021 46.204 45.100 0.138 0.000 0.757 222 G HN 0.731 nan 8.290 nan 0.000 0.560 223 H N -0.196 119.017 119.070 0.237 0.000 2.495 223 H HA 0.131 4.687 4.556 -0.000 0.000 0.287 223 H C 0.994 176.381 175.328 0.098 0.000 1.033 223 H CA 0.388 56.538 56.048 0.171 0.000 1.307 223 H CB 0.091 29.997 29.762 0.240 0.000 1.401 223 H HN 0.245 nan 8.280 nan 0.000 0.555 224 L N 0.517 121.848 121.223 0.180 0.000 2.357 224 L HA 0.346 4.686 4.340 -0.000 0.000 0.273 224 L C 1.263 177.947 176.870 -0.309 0.000 1.080 224 L CA -0.552 54.269 54.840 -0.031 0.000 0.803 224 L CB 1.451 43.474 42.059 -0.061 0.000 1.174 224 L HN 0.063 nan 8.230 nan 0.000 0.443 225 G N 1.311 109.888 108.800 -0.372 0.000 2.531 225 G HA2 0.364 4.324 3.960 -0.000 0.000 0.281 225 G HA3 0.364 4.324 3.960 -0.000 0.000 0.281 225 G C -2.093 172.375 174.900 -0.721 0.000 1.382 225 G CA -0.910 43.730 45.100 -0.766 0.000 1.045 225 G HN 0.402 nan 8.290 nan 0.000 0.533 226 P HA -0.120 nan 4.420 nan 0.000 0.214 226 P C 1.851 179.170 177.300 0.031 0.000 1.163 226 P CA 1.539 64.568 63.100 -0.117 0.000 0.889 226 P CB 0.110 31.776 31.700 -0.057 0.000 0.790 227 Q N -0.895 118.893 119.800 -0.021 0.000 2.061 227 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 227 Q C 2.271 178.287 176.000 0.027 0.000 0.984 227 Q CA 1.267 57.081 55.803 0.017 0.000 0.846 227 Q CB -0.744 28.006 28.738 0.019 0.000 0.902 227 Q HN 0.250 nan 8.270 nan 0.000 0.421 228 L N -0.643 120.587 121.223 0.010 0.000 2.109 228 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 228 L C 2.245 179.134 176.870 0.032 0.000 1.086 228 L CA 0.659 55.510 54.840 0.018 0.000 0.760 228 L CB -0.280 41.705 42.059 -0.124 0.000 0.910 228 L HN 0.239 nan 8.230 nan 0.000 0.437 229 F N 1.429 121.330 119.950 -0.082 0.000 2.134 229 F HA -0.234 4.292 4.527 -0.000 0.000 0.299 229 F C 2.321 178.132 175.800 0.020 0.000 1.097 229 F CA 1.647 59.639 58.000 -0.015 0.000 1.264 229 F CB -0.169 38.948 39.000 0.194 0.000 1.001 229 F HN 0.135 nan 8.300 nan 0.000 0.479 230 N N 0.418 119.244 118.700 0.211 0.000 2.309 230 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 230 N C 1.701 177.166 175.510 -0.074 0.000 1.018 230 N CA 1.065 54.168 53.050 0.089 0.000 0.876 230 N CB -0.288 38.263 38.487 0.106 0.000 0.972 230 N HN 0.379 nan 8.380 nan 0.000 0.434 231 K N -0.815 119.502 120.400 -0.137 0.000 2.076 231 K HA 0.089 4.409 4.320 -0.000 0.000 0.204 231 K C 0.926 177.271 176.600 -0.425 0.000 1.051 231 K CA 0.918 56.998 56.287 -0.345 0.000 0.949 231 K CB 0.079 32.225 32.500 -0.590 0.000 0.726 231 K HN 0.074 nan 8.250 nan 0.000 0.443 232 F N -1.184 118.731 119.950 -0.059 0.000 2.712 232 F HA 0.266 4.792 4.527 -0.000 0.000 0.297 232 F C 1.778 177.605 175.800 0.045 0.000 1.114 232 F CA 0.095 58.104 58.000 0.014 0.000 1.305 232 F CB 0.289 39.161 39.000 -0.213 0.000 1.086 232 F HN -0.048 nan 8.300 nan 0.000 0.599 233 A N -0.260 122.471 122.820 -0.149 0.000 1.944 233 A HA 0.115 4.435 4.320 -0.000 0.000 0.209 233 A C 1.848 179.235 177.584 -0.328 0.000 1.328 233 A CA 0.433 52.274 52.037 -0.327 0.000 0.693 233 A CB -0.995 17.380 19.000 -1.043 0.000 0.994 233 A HN 0.188 nan 8.150 nan 0.000 0.485 234 L N 0.858 121.739 121.223 -0.569 0.000 2.043 234 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 234 L C -0.925 175.883 176.870 -0.104 0.000 1.075 234 L CA 2.463 57.173 54.840 -0.215 0.000 0.752 234 L CB -1.047 40.996 42.059 -0.027 0.000 0.891 234 L HN 0.184 nan 8.230 nan 0.000 0.432 235 P HA -0.166 nan 4.420 nan 0.000 0.216 235 P C 1.026 178.116 177.300 -0.351 0.000 1.153 235 P CA 1.652 64.545 63.100 -0.345 0.000 0.848 235 P CB -0.157 31.174 31.700 -0.615 0.000 0.787 236 Y N -1.193 119.138 120.300 0.051 0.000 2.314 236 Y HA -0.034 4.516 4.550 -0.000 0.000 0.293 236 Y C 2.328 178.299 175.900 0.120 0.000 1.129 236 Y CA 0.595 58.751 58.100 0.092 0.000 1.201 236 Y CB -1.285 37.245 38.460 0.115 0.000 0.999 236 Y HN -0.116 nan 8.280 nan 0.000 0.541 237 I N -0.129 120.572 120.570 0.218 0.000 2.226 237 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 237 I C 2.338 178.643 176.117 0.313 0.000 1.100 237 I CA 1.400 62.847 61.300 0.245 0.000 1.374 237 I CB -0.293 37.797 38.000 0.150 0.000 1.057 237 I HN 0.159 nan 8.210 nan 0.000 0.413 238 R N 0.324 120.938 120.500 0.190 0.000 2.075 238 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 238 R C 1.978 178.338 176.300 0.101 0.000 1.126 238 R CA 1.346 57.541 56.100 0.158 0.000 0.963 238 R CB -0.284 30.056 30.300 0.068 0.000 0.858 238 R HN 0.336 nan 8.270 nan 0.000 0.435 239 D N 0.115 120.562 120.400 0.079 0.000 2.144 239 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 239 D C 1.879 178.239 176.300 0.100 0.000 0.984 239 D CA 0.999 55.042 54.000 0.073 0.000 0.834 239 D CB 0.146 40.995 40.800 0.081 0.000 0.955 239 D HN -0.000 nan 8.370 nan 0.000 0.465 240 V N 1.421 121.430 119.914 0.158 0.000 2.295 240 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 240 V C 2.578 178.711 176.094 0.066 0.000 1.049 240 V CA 1.915 64.308 62.300 0.156 0.000 1.024 240 V CB -0.679 31.289 31.823 0.242 0.000 0.648 240 V HN 0.175 nan 8.190 nan 0.000 0.447 241 A N -0.375 122.439 122.820 -0.011 0.000 1.902 241 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 241 A C 2.340 179.850 177.584 -0.124 0.000 1.181 241 A CA 2.182 54.073 52.037 -0.243 0.000 0.623 241 A CB -0.490 18.094 19.000 -0.693 0.000 0.818 241 A HN 0.544 nan 8.150 nan 0.000 0.443 242 K N -0.452 119.915 120.400 -0.055 0.000 2.026 242 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 242 K C 2.174 178.769 176.600 -0.008 0.000 1.048 242 K CA 1.737 58.008 56.287 -0.027 0.000 0.929 242 K CB -0.227 32.270 32.500 -0.005 0.000 0.713 242 K HN 0.620 nan 8.250 nan 0.000 0.439 243 Q N 0.021 119.828 119.800 0.012 0.000 2.172 243 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 243 Q C 2.121 178.132 176.000 0.018 0.000 0.964 243 Q CA 1.061 56.878 55.803 0.024 0.000 0.855 243 Q CB 0.208 28.974 28.738 0.046 0.000 0.918 243 Q HN 0.143 nan 8.270 nan 0.000 0.444 244 V N 1.382 121.302 119.914 0.011 0.000 2.307 244 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 244 V C 2.018 178.110 176.094 -0.004 0.000 1.045 244 V CA 1.809 64.112 62.300 0.005 0.000 1.024 244 V CB -0.351 31.472 31.823 -0.001 0.000 0.651 244 V HN 0.289 nan 8.190 nan 0.000 0.449 245 K N 0.195 120.586 120.400 -0.015 0.000 2.057 245 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 245 K C 2.298 178.901 176.600 0.005 0.000 1.049 245 K CA 1.483 57.768 56.287 -0.003 0.000 0.931 245 K CB -0.440 32.055 32.500 -0.009 0.000 0.714 245 K HN 0.474 nan 8.250 nan 0.000 0.440 246 A N 1.686 124.507 122.820 0.003 0.000 1.877 246 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 246 A C 2.073 179.661 177.584 0.007 0.000 1.186 246 A CA 1.380 53.421 52.037 0.006 0.000 0.620 246 A CB -0.381 18.624 19.000 0.008 0.000 0.822 246 A HN 0.203 nan 8.150 nan 0.000 0.443 247 R N -0.694 119.811 120.500 0.009 0.000 2.092 247 R HA 0.025 4.365 4.340 -0.000 0.000 0.231 247 R C 2.089 178.391 176.300 0.002 0.000 1.119 247 R CA 1.237 57.342 56.100 0.008 0.000 0.970 247 R CB -0.495 29.811 30.300 0.011 0.000 0.864 247 R HN 0.498 nan 8.270 nan 0.000 0.440 248 L N 0.245 121.470 121.223 0.002 0.000 2.046 248 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 248 L C 2.636 179.509 176.870 0.005 0.000 1.077 248 L CA 1.464 56.305 54.840 0.002 0.000 0.747 248 L CB -0.370 41.694 42.059 0.008 0.000 0.896 248 L HN 0.159 nan 8.230 nan 0.000 0.432 249 R N 0.069 120.573 120.500 0.007 0.000 2.083 249 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 249 R C 2.151 178.452 176.300 0.002 0.000 1.137 249 R CA 1.629 57.732 56.100 0.005 0.000 0.951 249 R CB -0.294 30.008 30.300 0.004 0.000 0.851 249 R HN 0.440 nan 8.270 nan 0.000 0.434 250 E N 0.009 120.211 120.200 0.003 0.000 2.265 250 E HA -0.137 4.212 4.350 -0.000 0.000 0.196 250 E C 1.529 178.129 176.600 0.001 0.000 0.996 250 E CA 0.964 57.365 56.400 0.002 0.000 0.832 250 E CB 0.035 29.737 29.700 0.004 0.000 0.756 250 E HN 0.355 nan 8.360 nan 0.000 0.491 251 A N 0.117 122.937 122.820 -0.001 0.000 2.251 251 A HA 0.283 4.603 4.320 -0.000 0.000 0.209 251 A C 1.729 179.312 177.584 -0.002 0.000 1.187 251 A CA 0.724 52.759 52.037 -0.003 0.000 0.823 251 A CB -0.131 18.864 19.000 -0.008 0.000 0.846 251 A HN 0.314 nan 8.150 nan 0.000 0.486 252 G N -1.375 107.425 108.800 -0.000 0.000 2.159 252 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.256 252 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.256 252 G C 0.086 174.988 174.900 0.004 0.000 0.977 252 G CA 0.438 45.538 45.100 0.000 0.000 0.652 252 G HN 0.457 nan 8.290 nan 0.000 0.531 253 L N 0.288 121.515 121.223 0.007 0.000 2.387 253 L HA 0.800 5.140 4.340 -0.000 0.000 0.266 253 L C 0.980 177.862 176.870 0.019 0.000 1.059 253 L CA -0.646 54.203 54.840 0.015 0.000 0.801 253 L CB 1.481 43.548 42.059 0.014 0.000 1.223 253 L HN 0.238 nan 8.230 nan 0.000 0.456 254 A N 1.724 124.562 122.820 0.030 0.000 2.320 254 A HA 0.581 4.901 4.320 -0.000 0.000 0.287 254 A C -2.270 175.358 177.584 0.074 0.000 1.181 254 A CA -1.215 50.844 52.037 0.037 0.000 0.831 254 A CB -0.331 18.691 19.000 0.036 0.000 1.102 254 A HN 0.410 nan 8.150 nan 0.000 0.513 255 P HA 0.262 nan 4.420 nan 0.000 0.270 255 P C -0.244 177.199 177.300 0.239 0.000 1.227 255 P CA -0.024 63.156 63.100 0.134 0.000 0.788 255 P CB 0.638 32.422 31.700 0.140 0.000 0.926 256 V N -1.879 118.137 119.914 0.170 0.000 2.919 256 V HA 0.682 4.802 4.120 -0.000 0.000 0.316 256 V C -2.568 173.478 176.094 -0.081 0.000 1.077 256 V CA -2.898 59.489 62.300 0.145 0.000 0.977 256 V CB 1.210 33.061 31.823 0.048 0.000 1.039 256 V HN 0.337 nan 8.190 nan 0.000 0.441 257 P HA 0.332 nan 4.420 nan 0.000 0.271 257 P C -0.831 176.279 177.300 -0.317 0.000 1.216 257 P CA 0.134 62.755 63.100 -0.799 0.000 0.776 257 P CB 0.463 31.500 31.700 -1.104 0.000 0.881 258 M N 3.044 122.510 119.600 -0.225 0.000 2.311 258 M HA 0.451 4.931 4.480 -0.000 0.000 0.325 258 M C -0.172 176.236 176.300 0.179 0.000 1.061 258 M CA -0.613 54.681 55.300 -0.010 0.000 0.957 258 M CB 1.726 34.260 32.600 -0.110 0.000 1.646 258 M HN 0.158 nan 8.290 nan 0.000 0.434 259 I N 3.423 124.138 120.570 0.243 0.000 2.404 259 I HA 0.432 4.602 4.170 -0.000 0.000 0.293 259 I C -0.837 175.351 176.117 0.118 0.000 0.992 259 I CA -0.809 60.603 61.300 0.186 0.000 1.149 259 I CB 1.885 39.962 38.000 0.128 0.000 1.315 259 I HN 0.522 nan 8.210 nan 0.000 0.446 260 I N 7.236 127.745 120.570 -0.101 0.000 2.339 260 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 260 I C -1.417 174.661 176.117 -0.065 0.000 0.994 260 I CA -0.350 60.733 61.300 -0.362 0.000 1.191 260 I CB 0.890 38.325 38.000 -0.943 0.000 1.343 260 I HN 0.366 nan 8.210 nan 0.000 0.458 261 F N 8.562 128.400 119.950 -0.188 0.000 2.382 261 F HA 0.766 5.292 4.527 -0.000 0.000 0.361 261 F C -0.411 175.372 175.800 -0.028 0.000 1.109 261 F CA -1.089 56.835 58.000 -0.126 0.000 1.031 261 F CB 0.980 39.851 39.000 -0.216 0.000 1.234 261 F HN 0.559 nan 8.300 nan 0.000 0.445 262 A N 7.072 129.677 122.820 -0.359 0.000 2.412 262 A HA 0.341 4.661 4.320 -0.000 0.000 0.334 262 A C -0.072 177.124 177.584 -0.645 0.000 1.419 262 A CA -0.797 51.018 52.037 -0.370 0.000 0.930 262 A CB -0.034 18.819 19.000 -0.245 0.000 1.149 262 A HN 0.764 nan 8.150 nan 0.000 0.515 263 K N 2.401 122.308 120.400 -0.822 0.000 2.412 263 K HA 0.107 4.427 4.320 -0.000 0.000 0.281 263 K C -0.502 175.889 176.600 -0.348 0.000 1.027 263 K CA 0.157 56.019 56.287 -0.708 0.000 0.989 263 K CB 0.176 32.361 32.500 -0.525 0.000 0.935 263 K HN 0.693 nan 8.250 nan 0.000 0.475 264 D N 2.267 122.472 120.400 -0.324 0.000 3.012 264 D HA -0.151 4.489 4.640 -0.000 0.000 0.222 264 D C 0.277 176.437 176.300 -0.232 0.000 1.167 264 D CA 1.351 55.226 54.000 -0.208 0.000 0.854 264 D CB -1.121 39.593 40.800 -0.144 0.000 1.107 264 D HN 0.847 nan 8.370 nan 0.000 0.421 265 G N 0.276 108.796 108.800 -0.467 0.000 3.591 265 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.282 265 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.282 265 G C 1.355 175.612 174.900 -1.072 0.000 1.238 265 G CA 0.210 44.710 45.100 -1.000 0.000 0.993 265 G HN 0.576 nan 8.290 nan 0.000 0.542 266 H N 0.633 119.371 119.070 -0.553 0.000 2.394 266 H HA -0.259 4.297 4.556 -0.000 0.000 0.297 266 H C 1.876 176.989 175.328 -0.359 0.000 1.113 266 H CA 1.525 57.366 56.048 -0.344 0.000 1.277 266 H CB -0.800 28.860 29.762 -0.170 0.000 1.370 266 H HN 0.582 nan 8.280 nan 0.000 0.506 267 F N 0.606 119.975 119.950 -0.968 0.000 2.604 267 F HA 0.493 5.020 4.527 -0.000 0.000 0.298 267 F C 2.154 177.711 175.800 -0.404 0.000 1.131 267 F CA 0.280 57.931 58.000 -0.580 0.000 1.457 267 F CB -0.143 38.477 39.000 -0.633 0.000 1.095 267 F HN 0.278 nan 8.300 nan 0.000 0.574 268 A N 0.292 122.516 122.820 -0.994 0.000 2.431 268 A HA 0.395 4.715 4.320 -0.000 0.000 0.239 268 A C 1.762 179.115 177.584 -0.385 0.000 1.230 268 A CA -0.239 51.401 52.037 -0.661 0.000 0.928 268 A CB -0.740 17.526 19.000 -1.224 0.000 1.006 268 A HN 0.436 nan 8.150 nan 0.000 0.520 269 L N -0.421 120.603 121.223 -0.331 0.000 2.081 269 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 269 L C 2.486 179.305 176.870 -0.085 0.000 1.080 269 L CA 1.952 56.686 54.840 -0.177 0.000 0.754 269 L CB -0.331 41.651 42.059 -0.127 0.000 0.893 269 L HN 0.578 nan 8.230 nan 0.000 0.433 270 E N -0.030 120.129 120.200 -0.067 0.000 2.051 270 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 270 E C 2.057 178.658 176.600 0.001 0.000 0.991 270 E CA 1.193 57.581 56.400 -0.021 0.000 0.799 270 E CB 0.186 29.880 29.700 -0.010 0.000 0.748 270 E HN 0.470 nan 8.360 nan 0.000 0.449 271 E N 0.537 120.740 120.200 0.004 0.000 2.106 271 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 271 E C 2.385 179.024 176.600 0.066 0.000 0.984 271 E CA 0.549 56.979 56.400 0.050 0.000 0.806 271 E CB -0.280 29.478 29.700 0.097 0.000 0.750 271 E HN 0.380 nan 8.360 nan 0.000 0.458 272 L N 0.870 122.112 121.223 0.032 0.000 2.083 272 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 272 L C 2.503 179.412 176.870 0.065 0.000 1.083 272 L CA 1.091 55.955 54.840 0.039 0.000 0.752 272 L CB -0.556 41.479 42.059 -0.041 0.000 0.899 272 L HN 0.072 nan 8.230 nan 0.000 0.433 273 A N -0.761 122.086 122.820 0.046 0.000 2.178 273 A HA -0.172 4.147 4.320 -0.000 0.000 0.218 273 A C 1.850 179.483 177.584 0.082 0.000 1.157 273 A CA 1.179 53.255 52.037 0.064 0.000 0.689 273 A CB -0.259 18.768 19.000 0.044 0.000 0.787 273 A HN 0.551 nan 8.150 nan 0.000 0.465 274 Q N -1.503 118.348 119.800 0.084 0.000 2.159 274 Q HA 0.414 4.754 4.340 -0.000 0.000 0.217 274 Q C 1.225 177.289 176.000 0.107 0.000 0.818 274 Q CA 0.332 56.184 55.803 0.082 0.000 1.008 274 Q CB 0.609 29.382 28.738 0.060 0.000 1.148 274 Q HN 0.535 nan 8.270 nan 0.000 0.491 275 A N 0.215 123.134 122.820 0.166 0.000 2.251 275 A HA 0.420 4.739 4.320 -0.000 0.000 0.209 275 A C 1.413 179.145 177.584 0.247 0.000 1.187 275 A CA 0.734 52.909 52.037 0.229 0.000 0.823 275 A CB -0.080 19.091 19.000 0.286 0.000 0.846 275 A HN 0.415 nan 8.150 nan 0.000 0.486 276 G N -2.375 106.521 108.800 0.161 0.000 2.148 276 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.203 276 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.203 276 G C -0.267 174.541 174.900 -0.153 0.000 0.993 276 G CA 0.025 45.122 45.100 -0.006 0.000 0.661 276 G HN 0.359 nan 8.290 nan 0.000 0.518 277 Y N 0.193 120.511 120.300 0.030 0.000 2.387 277 Y HA 0.603 5.153 4.550 -0.000 0.000 0.336 277 Y C 1.360 177.251 175.900 -0.015 0.000 1.067 277 Y CA -0.787 57.316 58.100 0.006 0.000 1.114 277 Y CB 1.477 39.950 38.460 0.021 0.000 1.208 277 Y HN 0.042 nan 8.280 nan 0.000 0.458 278 E N 1.000 121.214 120.200 0.025 0.000 2.152 278 E HA 0.017 4.367 4.350 -0.000 0.000 0.192 278 E C -0.397 176.196 176.600 -0.013 0.000 0.983 278 E CA 0.806 57.178 56.400 -0.047 0.000 0.818 278 E CB 0.143 29.664 29.700 -0.298 0.000 0.758 278 E HN 0.288 nan 8.360 nan 0.000 0.467 279 V N 0.546 120.474 119.914 0.024 0.000 2.656 279 V HA 0.350 4.470 4.120 -0.000 0.000 0.307 279 V C -0.612 175.530 176.094 0.080 0.000 1.051 279 V CA -0.979 61.339 62.300 0.029 0.000 0.893 279 V CB 2.311 34.125 31.823 -0.014 0.000 0.999 279 V HN -0.248 nan 8.190 nan 0.000 0.426 280 V N 3.314 123.273 119.914 0.075 0.000 2.357 280 V HA 0.672 4.792 4.120 -0.000 0.000 0.284 280 V C 0.729 176.885 176.094 0.104 0.000 1.018 280 V CA -0.281 62.059 62.300 0.067 0.000 0.841 280 V CB 1.610 33.465 31.823 0.054 0.000 0.991 280 V HN 0.999 nan 8.190 nan 0.000 0.437 281 G N 4.942 113.827 108.800 0.142 0.000 2.420 281 G HA2 0.677 4.637 3.960 -0.000 0.000 0.284 281 G HA3 0.677 4.637 3.960 -0.000 0.000 0.284 281 G C -0.889 174.219 174.900 0.347 0.000 1.177 281 G CA -0.419 44.809 45.100 0.214 0.000 0.841 281 G HN 0.579 nan 8.290 nan 0.000 0.527 282 L N 0.777 122.194 121.223 0.323 0.000 2.354 282 L HA 0.407 4.746 4.340 -0.000 0.000 0.264 282 L C -0.382 176.725 176.870 0.396 0.000 1.008 282 L CA -1.207 53.811 54.840 0.296 0.000 0.819 282 L CB 2.410 44.618 42.059 0.248 0.000 1.339 282 L HN 0.740 nan 8.230 nan 0.000 0.420 283 D N -1.094 119.451 120.400 0.242 0.000 2.387 283 D HA 0.076 4.716 4.640 -0.000 0.000 0.251 283 D C 0.625 177.005 176.300 0.134 0.000 1.141 283 D CA -0.645 53.473 54.000 0.196 0.000 0.987 283 D CB 0.628 41.329 40.800 -0.165 0.000 1.116 283 D HN 0.615 nan 8.370 nan 0.000 0.491 284 W N -0.423 120.929 121.300 0.088 0.000 2.825 284 W HA 0.032 4.692 4.660 -0.000 0.000 0.243 284 W C 1.359 177.890 176.519 0.020 0.000 1.293 284 W CA 0.610 57.985 57.345 0.050 0.000 1.403 284 W CB -0.894 28.578 29.460 0.021 0.000 1.134 284 W HN 0.414 nan 8.180 nan 0.000 0.666 285 T N -1.742 112.512 114.554 -0.500 0.000 3.067 285 T HA 0.083 4.433 4.350 -0.000 0.000 0.261 285 T C 0.526 175.115 174.700 -0.184 0.000 1.110 285 T CA 0.182 62.058 62.100 -0.373 0.000 1.113 285 T CB -0.604 67.967 68.868 -0.496 0.000 0.917 285 T HN -0.072 nan 8.240 nan 0.000 0.499 286 V N 2.692 122.528 119.914 -0.129 0.000 2.385 286 V HA 0.656 4.776 4.120 -0.000 0.000 0.269 286 V C 0.850 176.895 176.094 -0.081 0.000 1.043 286 V CA -1.351 60.897 62.300 -0.088 0.000 0.906 286 V CB 0.144 31.934 31.823 -0.054 0.000 0.995 286 V HN 0.642 nan 8.190 nan 0.000 0.467 287 A N 7.335 130.094 122.820 -0.103 0.000 2.520 287 A HA 0.357 4.677 4.320 -0.000 0.000 0.245 287 A C -1.091 176.352 177.584 -0.235 0.000 1.072 287 A CA -0.765 51.187 52.037 -0.141 0.000 0.761 287 A CB -0.022 18.907 19.000 -0.119 0.000 1.004 287 A HN 0.719 nan 8.150 nan 0.000 0.499 288 P HA -0.198 nan 4.420 nan 0.000 0.216 288 P C 1.134 178.152 177.300 -0.470 0.000 1.153 288 P CA 1.694 64.305 63.100 -0.816 0.000 0.858 288 P CB 0.113 30.825 31.700 -1.647 0.000 0.789 289 K N -0.220 119.984 120.400 -0.327 0.000 2.097 289 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 289 K C 1.982 178.507 176.600 -0.125 0.000 1.050 289 K CA 1.235 57.408 56.287 -0.190 0.000 0.938 289 K CB -0.224 32.191 32.500 -0.142 0.000 0.718 289 K HN 0.204 nan 8.250 nan 0.000 0.442 290 K N 0.555 120.884 120.400 -0.120 0.000 2.103 290 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 290 K C 2.269 178.833 176.600 -0.061 0.000 1.052 290 K CA 1.026 57.267 56.287 -0.076 0.000 0.945 290 K CB -0.102 32.356 32.500 -0.071 0.000 0.722 290 K HN 0.088 nan 8.250 nan 0.000 0.443 291 A N 1.825 124.600 122.820 -0.075 0.000 1.908 291 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 291 A C 2.159 179.741 177.584 -0.004 0.000 1.181 291 A CA 1.651 53.670 52.037 -0.030 0.000 0.627 291 A CB -0.421 18.579 19.000 0.000 0.000 0.818 291 A HN 0.126 nan 8.150 nan 0.000 0.445 292 R N 0.289 120.778 120.500 -0.018 0.000 2.081 292 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 292 R C 1.936 178.241 176.300 0.008 0.000 1.131 292 R CA 2.128 58.237 56.100 0.015 0.000 0.960 292 R CB -0.526 29.776 30.300 0.003 0.000 0.856 292 R HN 0.721 nan 8.270 nan 0.000 0.436 293 E N -0.942 119.251 120.200 -0.012 0.000 2.051 293 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 293 E C 2.187 178.785 176.600 -0.002 0.000 0.991 293 E CA 1.622 58.017 56.400 -0.008 0.000 0.799 293 E CB -0.279 29.411 29.700 -0.017 0.000 0.748 293 E HN 0.365 nan 8.360 nan 0.000 0.449 294 C N 0.402 119.698 119.300 -0.007 0.000 2.429 294 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 294 C C 2.862 177.853 174.990 0.002 0.000 1.262 294 C CA 0.876 59.891 59.018 -0.006 0.000 1.733 294 C CB -0.877 26.852 27.740 -0.019 0.000 2.010 294 C HN 0.455 nan 8.230 nan 0.000 0.483 295 V N -0.848 119.074 119.914 0.013 0.000 2.878 295 V HA 0.527 4.647 4.120 -0.000 0.000 0.250 295 V C 1.075 177.189 176.094 0.033 0.000 1.075 295 V CA 1.094 63.409 62.300 0.026 0.000 1.096 295 V CB -1.267 30.582 31.823 0.043 0.000 0.724 295 V HN 0.871 nan 8.190 nan 0.000 0.467 296 G N 1.564 110.382 108.800 0.031 0.000 2.526 296 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.250 296 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.250 296 G C 0.026 174.950 174.900 0.039 0.000 1.289 296 G CA -0.078 45.040 45.100 0.030 0.000 0.947 296 G HN 0.727 nan 8.290 nan 0.000 0.517 297 K N -1.111 119.310 120.400 0.035 0.000 2.358 297 K HA 0.362 4.682 4.320 -0.000 0.000 0.200 297 K C 1.669 178.294 176.600 0.041 0.000 1.030 297 K CA 0.889 57.198 56.287 0.037 0.000 1.097 297 K CB 0.646 33.158 32.500 0.019 0.000 0.862 297 K HN 0.332 nan 8.250 nan 0.000 0.534 298 T N 1.459 116.041 114.554 0.045 0.000 2.837 298 T HA 0.008 4.358 4.350 -0.000 0.000 0.248 298 T C 1.033 175.772 174.700 0.065 0.000 1.033 298 T CA 0.584 62.715 62.100 0.051 0.000 1.150 298 T CB -0.006 68.891 68.868 0.048 0.000 0.865 298 T HN 0.235 nan 8.240 nan 0.000 0.425 299 V N 1.692 121.647 119.914 0.068 0.000 3.096 299 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 299 V C 0.116 176.256 176.094 0.076 0.000 1.088 299 V CA -0.595 61.748 62.300 0.071 0.000 1.129 299 V CB 0.390 32.258 31.823 0.076 0.000 1.014 299 V HN 0.166 nan 8.190 nan 0.000 0.486 300 T N 4.805 119.394 114.554 0.059 0.000 2.882 300 T HA 0.586 4.936 4.350 -0.000 0.000 0.287 300 T C -0.142 174.608 174.700 0.083 0.000 0.992 300 T CA -0.278 61.859 62.100 0.061 0.000 1.076 300 T CB 0.871 69.735 68.868 -0.008 0.000 0.961 300 T HN 0.612 nan 8.240 nan 0.000 0.490 301 L N 2.726 124.029 121.223 0.134 0.000 2.334 301 L HA 0.566 4.906 4.340 -0.000 0.000 0.275 301 L C 0.159 177.096 176.870 0.111 0.000 1.036 301 L CA -0.706 54.234 54.840 0.166 0.000 0.807 301 L CB 1.623 43.862 42.059 0.301 0.000 1.231 301 L HN 0.551 nan 8.230 nan 0.000 0.438 302 Q N 1.287 121.136 119.800 0.082 0.000 2.375 302 Q HA 0.692 5.032 4.340 -0.000 0.000 0.271 302 Q C -0.532 175.475 176.000 0.013 0.000 1.074 302 Q CA -0.111 55.683 55.803 -0.015 0.000 0.808 302 Q CB 2.515 31.259 28.738 0.009 0.000 1.327 302 Q HN 0.821 nan 8.270 nan 0.000 0.441 303 G N 2.245 111.017 108.800 -0.047 0.000 2.302 303 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.276 303 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.276 303 G C -1.333 173.691 174.900 0.208 0.000 1.316 303 G CA -0.076 45.066 45.100 0.070 0.000 0.988 303 G HN 0.862 nan 8.290 nan 0.000 0.479 304 N N -0.663 118.261 118.700 0.374 0.000 2.545 304 N HA 0.290 5.030 4.740 -0.000 0.000 0.283 304 N C -0.246 175.423 175.510 0.264 0.000 1.596 304 N CA -0.266 52.968 53.050 0.307 0.000 0.862 304 N CB 0.261 38.990 38.487 0.404 0.000 1.422 304 N HN 0.824 nan 8.380 nan 0.000 0.489 305 L N 1.658 122.976 121.223 0.158 0.000 2.525 305 L HA 0.176 4.516 4.340 -0.000 0.000 0.278 305 L C 0.368 177.167 176.870 -0.118 0.000 1.218 305 L CA 0.254 55.116 54.840 0.037 0.000 0.878 305 L CB 0.262 42.288 42.059 -0.054 0.000 1.127 305 L HN 0.194 nan 8.230 nan 0.000 0.492 306 D N 7.124 127.429 120.400 -0.159 0.000 2.520 306 D HA -0.017 4.623 4.640 -0.000 0.000 0.243 306 D C -1.629 174.259 176.300 -0.687 0.000 1.160 306 D CA -1.344 52.284 54.000 -0.620 0.000 0.877 306 D CB 1.071 41.521 40.800 -0.584 0.000 1.150 306 D HN 0.387 nan 8.370 nan 0.000 0.494 307 P HA -0.134 nan 4.420 nan 0.000 0.218 307 P C 1.292 178.024 177.300 -0.947 0.000 1.148 307 P CA 0.711 63.266 63.100 -0.908 0.000 0.822 307 P CB -0.003 31.058 31.700 -1.064 0.000 0.784 308 C N -0.284 118.506 119.300 -0.850 0.000 2.437 308 C HA 0.119 4.579 4.460 -0.000 0.000 0.283 308 C C 2.978 177.718 174.990 -0.417 0.000 1.424 308 C CA 0.655 59.300 59.018 -0.621 0.000 1.782 308 C CB -1.949 25.688 27.740 -0.172 0.000 1.833 308 C HN 0.251 nan 8.230 nan 0.000 0.532 309 A N 0.705 123.286 122.820 -0.397 0.000 2.076 309 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 309 A C 1.968 179.409 177.584 -0.238 0.000 1.160 309 A CA 1.200 53.093 52.037 -0.240 0.000 0.653 309 A CB -0.539 18.328 19.000 -0.221 0.000 0.801 309 A HN 0.669 nan 8.150 nan 0.000 0.455 310 L N -1.612 119.366 121.223 -0.410 0.000 2.549 310 L HA -0.134 4.206 4.340 -0.000 0.000 0.229 310 L C 1.641 178.470 176.870 -0.069 0.000 1.158 310 L CA 0.614 55.271 54.840 -0.305 0.000 0.842 310 L CB -0.546 41.238 42.059 -0.458 0.000 0.952 310 L HN 0.463 nan 8.230 nan 0.000 0.452 311 Y N 0.120 120.411 120.300 -0.014 0.000 2.544 311 Y HA 0.188 4.738 4.550 -0.000 0.000 0.286 311 Y C 1.734 177.691 175.900 0.095 0.000 1.141 311 Y CA -0.407 57.722 58.100 0.048 0.000 1.299 311 Y CB -0.549 37.902 38.460 -0.015 0.000 1.030 311 Y HN 0.066 nan 8.280 nan 0.000 0.543 312 A N 0.405 123.327 122.820 0.171 0.000 2.327 312 A HA 0.409 4.729 4.320 -0.000 0.000 0.255 312 A C 0.787 178.392 177.584 0.034 0.000 1.099 312 A CA -0.071 52.018 52.037 0.086 0.000 0.801 312 A CB -0.168 18.840 19.000 0.012 0.000 1.062 312 A HN 0.314 nan 8.150 nan 0.000 0.496 313 S N -0.419 115.281 115.700 -0.000 0.000 2.580 313 S HA 0.065 4.535 4.470 -0.000 0.000 0.266 313 S C 0.667 175.118 174.600 -0.248 0.000 1.354 313 S CA 0.516 58.672 58.200 -0.073 0.000 1.008 313 S CB 0.295 63.487 63.200 -0.013 0.000 0.898 313 S HN 0.686 nan 8.310 nan 0.000 0.555 314 E N 0.539 120.554 120.200 -0.309 0.000 2.110 314 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 314 E C 2.001 178.532 176.600 -0.116 0.000 0.988 314 E CA 1.340 57.579 56.400 -0.269 0.000 0.804 314 E CB -0.160 29.440 29.700 -0.167 0.000 0.745 314 E HN 0.898 nan 8.360 nan 0.000 0.458 315 E N 1.230 121.390 120.200 -0.067 0.000 2.077 315 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 315 E C 1.680 178.266 176.600 -0.023 0.000 0.989 315 E CA 1.227 57.613 56.400 -0.024 0.000 0.800 315 E CB 0.098 29.793 29.700 -0.009 0.000 0.746 315 E HN 0.299 nan 8.360 nan 0.000 0.452 316 E N 0.499 120.677 120.200 -0.037 0.000 2.106 316 E HA -0.148 4.201 4.350 -0.000 0.000 0.192 316 E C 2.258 178.839 176.600 -0.033 0.000 0.984 316 E CA 1.072 57.455 56.400 -0.028 0.000 0.806 316 E CB -0.118 29.569 29.700 -0.023 0.000 0.750 316 E HN 0.363 nan 8.360 nan 0.000 0.458 317 I N 1.325 121.861 120.570 -0.056 0.000 2.163 317 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 317 I C 2.577 178.701 176.117 0.013 0.000 1.085 317 I CA 1.343 62.622 61.300 -0.035 0.000 1.347 317 I CB -0.661 37.293 38.000 -0.077 0.000 1.044 317 I HN 0.200 nan 8.210 nan 0.000 0.408 318 G N 0.098 108.908 108.800 0.017 0.000 2.440 318 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 318 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 318 G C 1.547 176.443 174.900 -0.007 0.000 1.154 318 G CA 0.643 45.791 45.100 0.080 0.000 0.767 318 G HN 0.440 nan 8.290 nan 0.000 0.552 319 Q N -0.216 119.564 119.800 -0.032 0.000 2.079 319 Q HA 0.112 4.451 4.340 -0.000 0.000 0.200 319 Q C 2.656 178.607 176.000 -0.082 0.000 0.974 319 Q CA 0.775 56.529 55.803 -0.081 0.000 0.840 319 Q CB -0.268 28.445 28.738 -0.042 0.000 0.898 319 Q HN 0.421 nan 8.270 nan 0.000 0.430 320 L N -0.012 121.190 121.223 -0.036 0.000 2.083 320 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 320 L C 2.318 179.193 176.870 0.008 0.000 1.083 320 L CA 0.719 55.552 54.840 -0.012 0.000 0.752 320 L CB -0.417 41.641 42.059 -0.002 0.000 0.899 320 L HN 0.111 nan 8.230 nan 0.000 0.433 321 V N 0.064 119.988 119.914 0.017 0.000 2.358 321 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 321 V C 2.583 178.647 176.094 -0.049 0.000 1.047 321 V CA 1.868 64.198 62.300 0.049 0.000 1.035 321 V CB -0.491 31.371 31.823 0.065 0.000 0.658 321 V HN 0.453 nan 8.190 nan 0.000 0.452 322 K N -0.039 120.201 120.400 -0.267 0.000 2.063 322 K HA -0.316 4.003 4.320 -0.000 0.000 0.208 322 K C 2.253 178.763 176.600 -0.150 0.000 1.048 322 K CA 2.230 58.269 56.287 -0.415 0.000 0.928 322 K CB -0.133 31.954 32.500 -0.687 0.000 0.713 322 K HN 0.420 nan 8.250 nan 0.000 0.442 323 Q N 0.835 120.574 119.800 -0.101 0.000 2.079 323 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 323 Q C 2.028 178.019 176.000 -0.016 0.000 0.974 323 Q CA 1.875 57.647 55.803 -0.052 0.000 0.840 323 Q CB -0.184 28.529 28.738 -0.043 0.000 0.898 323 Q HN 0.441 nan 8.270 nan 0.000 0.430 324 M N -0.877 118.744 119.600 0.035 0.000 2.086 324 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 324 M C 1.222 177.619 176.300 0.162 0.000 1.067 324 M CA 1.353 56.722 55.300 0.114 0.000 1.116 324 M CB -0.044 32.695 32.600 0.233 0.000 1.348 324 M HN 0.356 nan 8.290 nan 0.000 0.407 325 L N 0.801 122.116 121.223 0.154 0.000 2.083 325 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 325 L C 1.949 178.856 176.870 0.062 0.000 1.083 325 L CA 1.688 56.623 54.840 0.159 0.000 0.752 325 L CB -1.138 41.030 42.059 0.181 0.000 0.899 325 L HN 0.305 nan 8.230 nan 0.000 0.433 326 D N -0.440 119.970 120.400 0.017 0.000 2.144 326 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 326 D C 1.713 177.987 176.300 -0.044 0.000 0.984 326 D CA 1.130 55.123 54.000 -0.012 0.000 0.834 326 D CB -0.060 40.724 40.800 -0.027 0.000 0.955 326 D HN 0.323 nan 8.370 nan 0.000 0.465 327 D N -0.668 119.680 120.400 -0.086 0.000 2.162 327 D HA -0.055 4.585 4.640 -0.000 0.000 0.203 327 D C 1.818 177.977 176.300 -0.234 0.000 0.967 327 D CA 0.420 54.311 54.000 -0.181 0.000 0.840 327 D CB -0.328 40.307 40.800 -0.275 0.000 0.972 327 D HN 0.195 nan 8.370 nan 0.000 0.482 328 F N 0.539 120.325 119.950 -0.273 0.000 2.293 328 F HA 0.206 4.733 4.527 -0.000 0.000 0.297 328 F C 1.725 177.369 175.800 -0.260 0.000 1.089 328 F CA 1.055 58.806 58.000 -0.414 0.000 1.377 328 F CB -0.240 38.104 39.000 -1.094 0.000 1.051 328 F HN -0.006 nan 8.300 nan 0.000 0.511 329 G N 0.168 108.967 108.800 -0.002 0.000 2.758 329 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 329 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 329 G C -2.228 172.646 174.900 -0.044 0.000 1.389 329 G CA -0.428 44.662 45.100 -0.017 0.000 0.845 329 G HN 0.058 nan 8.290 nan 0.000 0.572 330 P HA 0.104 nan 4.420 nan 0.000 0.255 330 P C 0.172 177.273 177.300 -0.331 0.000 1.301 330 P CA 0.726 63.683 63.100 -0.238 0.000 0.817 330 P CB -0.158 31.371 31.700 -0.285 0.000 1.259 331 H N -0.963 118.172 119.070 0.110 0.000 2.679 331 H HA 0.493 5.049 4.556 -0.000 0.000 0.367 331 H C 0.153 175.551 175.328 0.118 0.000 1.162 331 H CA -0.988 55.114 56.048 0.091 0.000 1.181 331 H CB 1.092 30.893 29.762 0.066 0.000 1.693 331 H HN -0.291 nan 8.280 nan 0.000 0.538 332 R N 0.651 121.279 120.500 0.214 0.000 3.158 332 R HA -0.244 4.096 4.340 -0.000 0.000 0.244 332 R C -1.476 174.937 176.300 0.189 0.000 0.900 332 R CA 0.510 56.703 56.100 0.155 0.000 0.618 332 R CB -1.426 28.965 30.300 0.152 0.000 1.061 332 R HN 0.490 nan 8.270 nan 0.000 0.471 333 Y N -0.052 120.225 120.300 -0.038 0.000 2.441 333 Y HA 0.546 5.096 4.550 -0.000 0.000 0.334 333 Y C -1.032 174.787 175.900 -0.136 0.000 1.061 333 Y CA -1.655 56.367 58.100 -0.131 0.000 1.032 333 Y CB 1.339 39.702 38.460 -0.160 0.000 1.266 333 Y HN 0.104 nan 8.280 nan 0.000 0.441 334 I N 5.734 125.965 120.570 -0.566 0.000 2.418 334 I HA 0.670 4.840 4.170 -0.000 0.000 0.287 334 I C -0.116 175.477 176.117 -0.875 0.000 1.008 334 I CA -1.027 59.960 61.300 -0.521 0.000 1.104 334 I CB 1.721 39.667 38.000 -0.089 0.000 1.264 334 I HN 0.832 nan 8.210 nan 0.000 0.438 335 A N 5.749 128.040 122.820 -0.882 0.000 2.371 335 A HA 0.644 4.964 4.320 -0.000 0.000 0.257 335 A C -0.173 177.262 177.584 -0.248 0.000 1.089 335 A CA 0.049 51.725 52.037 -0.602 0.000 0.794 335 A CB 0.630 19.377 19.000 -0.421 0.000 1.029 335 A HN 0.795 nan 8.150 nan 0.000 0.488 336 N N -0.083 118.565 118.700 -0.086 0.000 3.355 336 N HA 0.268 5.008 4.740 -0.000 0.000 0.238 336 N C -1.306 174.144 175.510 -0.100 0.000 1.466 336 N CA -0.563 52.371 53.050 -0.193 0.000 0.882 336 N CB 0.419 38.549 38.487 -0.594 0.000 1.406 336 N HN 0.485 nan 8.380 nan 0.000 0.500 337 L N 0.041 121.061 121.223 -0.339 0.000 2.479 337 L HA 0.432 4.772 4.340 -0.000 0.000 0.249 337 L C 1.862 178.648 176.870 -0.141 0.000 1.178 337 L CA -0.175 54.456 54.840 -0.349 0.000 0.811 337 L CB 0.446 42.195 42.059 -0.517 0.000 1.187 337 L HN 0.831 nan 8.230 nan 0.000 0.480 338 G N -2.043 106.789 108.800 0.054 0.000 2.920 338 G HA2 0.021 3.981 3.960 -0.000 0.000 0.208 338 G HA3 0.021 3.981 3.960 -0.000 0.000 0.208 338 G C 0.324 175.561 174.900 0.563 0.000 1.159 338 G CA 0.320 45.647 45.100 0.378 0.000 0.784 338 G HN 0.716 nan 8.290 nan 0.000 0.535 339 H N -2.511 116.649 119.070 0.149 0.000 2.887 339 H HA 0.390 4.946 4.556 -0.000 0.000 0.290 339 H C -0.033 175.269 175.328 -0.044 0.000 1.429 339 H CA -0.759 55.421 56.048 0.220 0.000 1.137 339 H CB 0.920 30.969 29.762 0.478 0.000 1.824 339 H HN 0.132 nan 8.280 nan 0.000 0.520 340 G N 1.034 109.616 108.800 -0.365 0.000 2.594 340 G HA2 0.322 4.282 3.960 -0.000 0.000 0.243 340 G HA3 0.322 4.282 3.960 -0.000 0.000 0.243 340 G C -0.171 174.557 174.900 -0.287 0.000 1.229 340 G CA -0.544 44.363 45.100 -0.322 0.000 0.843 340 G HN 0.433 nan 8.290 nan 0.000 0.578 341 L N 0.597 121.615 121.223 -0.341 0.000 2.485 341 L HA 0.063 4.403 4.340 -0.000 0.000 0.275 341 L C -0.113 176.696 176.870 -0.102 0.000 1.207 341 L CA -0.323 54.260 54.840 -0.429 0.000 0.855 341 L CB 0.210 41.885 42.059 -0.641 0.000 1.114 341 L HN 0.376 nan 8.230 nan 0.000 0.485 342 Y N 2.627 122.768 120.300 -0.265 0.000 2.335 342 Y HA 0.255 4.805 4.550 -0.000 0.000 0.323 342 Y C -1.308 174.566 175.900 -0.045 0.000 1.224 342 Y CA -2.975 55.050 58.100 -0.124 0.000 1.241 342 Y CB 0.171 38.583 38.460 -0.079 0.000 1.235 342 Y HN 0.430 nan 8.280 nan 0.000 0.492 343 P HA -0.148 nan 4.420 nan 0.000 0.218 343 P C 0.531 177.925 177.300 0.155 0.000 1.146 343 P CA 1.851 65.028 63.100 0.129 0.000 0.813 343 P CB 0.270 32.013 31.700 0.071 0.000 0.778 344 D N -2.651 117.861 120.400 0.186 0.000 2.340 344 D HA 0.028 4.668 4.640 -0.000 0.000 0.217 344 D C 0.519 176.950 176.300 0.217 0.000 1.081 344 D CA 0.025 54.135 54.000 0.184 0.000 0.842 344 D CB -0.649 40.254 40.800 0.173 0.000 0.934 344 D HN 0.150 nan 8.370 nan 0.000 0.511 345 M N 0.656 120.355 119.600 0.165 0.000 2.241 345 M HA 0.103 4.583 4.480 -0.000 0.000 0.335 345 M C 0.128 176.483 176.300 0.091 0.000 1.122 345 M CA -0.240 55.083 55.300 0.039 0.000 1.164 345 M CB 0.854 33.320 32.600 -0.223 0.000 1.459 345 M HN -0.201 nan 8.290 nan 0.000 0.461 346 D N 2.459 122.853 120.400 -0.010 0.000 2.280 346 D HA 0.225 4.865 4.640 -0.000 0.000 0.243 346 D C -1.980 174.405 176.300 0.140 0.000 1.129 346 D CA -2.097 51.897 54.000 -0.011 0.000 0.848 346 D CB 1.469 42.073 40.800 -0.327 0.000 1.107 346 D HN 0.169 nan 8.370 nan 0.000 0.471 347 P HA -0.156 nan 4.420 nan 0.000 0.216 347 P C 0.927 178.483 177.300 0.426 0.000 1.150 347 P CA 1.023 64.424 63.100 0.502 0.000 0.843 347 P CB 0.383 32.312 31.700 0.382 0.000 0.787 348 E N -1.551 118.827 120.200 0.297 0.000 2.153 348 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 348 E C 1.846 178.628 176.600 0.304 0.000 0.988 348 E CA 1.257 57.838 56.400 0.302 0.000 0.811 348 E CB -0.826 29.027 29.700 0.254 0.000 0.746 348 E HN 0.470 nan 8.360 nan 0.000 0.466 349 H N -0.094 118.998 119.070 0.037 0.000 2.428 349 H HA 0.004 4.560 4.556 -0.000 0.000 0.296 349 H C 2.195 177.452 175.328 -0.119 0.000 1.062 349 H CA 0.598 56.624 56.048 -0.036 0.000 1.350 349 H CB -0.311 29.415 29.762 -0.060 0.000 1.403 349 H HN -0.057 nan 8.280 nan 0.000 0.533 350 V N -0.050 119.811 119.914 -0.088 0.000 2.358 350 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 350 V C 2.619 178.409 176.094 -0.508 0.000 1.047 350 V CA 1.837 63.909 62.300 -0.380 0.000 1.035 350 V CB -1.059 30.415 31.823 -0.582 0.000 0.658 350 V HN 0.580 nan 8.190 nan 0.000 0.452 351 G N -0.260 108.264 108.800 -0.460 0.000 2.418 351 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 351 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 351 G C 1.777 176.644 174.900 -0.055 0.000 1.158 351 G CA 1.033 46.033 45.100 -0.166 0.000 0.771 351 G HN 0.598 nan 8.290 nan 0.000 0.545 352 A N 0.424 123.235 122.820 -0.016 0.000 1.940 352 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 352 A C 2.157 179.723 177.584 -0.029 0.000 1.176 352 A CA 1.671 53.694 52.037 -0.023 0.000 0.631 352 A CB -0.554 18.411 19.000 -0.057 0.000 0.814 352 A HN 0.423 nan 8.150 nan 0.000 0.446 353 F N 0.811 120.645 119.950 -0.193 0.000 2.075 353 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 353 F C 2.251 177.926 175.800 -0.208 0.000 1.113 353 F CA 1.942 59.823 58.000 -0.198 0.000 1.218 353 F CB -0.611 38.234 39.000 -0.260 0.000 0.984 353 F HN 0.023 nan 8.300 nan 0.000 0.472 354 V N 0.793 120.481 119.914 -0.376 0.000 2.287 354 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 354 V C 2.180 177.950 176.094 -0.540 0.000 1.053 354 V CA 2.341 64.323 62.300 -0.530 0.000 1.027 354 V CB -0.770 30.880 31.823 -0.290 0.000 0.646 354 V HN 0.298 nan 8.190 nan 0.000 0.447 355 D N 0.248 120.489 120.400 -0.265 0.000 2.144 355 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 355 D C 2.203 178.412 176.300 -0.151 0.000 0.984 355 D CA 1.598 55.511 54.000 -0.144 0.000 0.834 355 D CB -0.351 40.419 40.800 -0.049 0.000 0.955 355 D HN 0.449 nan 8.370 nan 0.000 0.465 356 A N 0.567 123.293 122.820 -0.157 0.000 1.930 356 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 356 A C 2.513 180.076 177.584 -0.036 0.000 1.175 356 A CA 1.057 53.066 52.037 -0.046 0.000 0.627 356 A CB -0.672 18.360 19.000 0.053 0.000 0.815 356 A HN 0.141 nan 8.150 nan 0.000 0.443 357 V N -0.311 119.450 119.914 -0.255 0.000 2.343 357 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 357 V C 2.289 178.387 176.094 0.005 0.000 1.051 357 V CA 2.331 64.514 62.300 -0.196 0.000 1.036 357 V CB -1.165 30.386 31.823 -0.454 0.000 0.654 357 V HN 0.740 nan 8.190 nan 0.000 0.451 358 H N -0.121 118.890 119.070 -0.098 0.000 2.321 358 H HA -0.184 4.372 4.556 -0.000 0.000 0.300 358 H C 2.449 177.721 175.328 -0.094 0.000 1.087 358 H CA 1.715 57.708 56.048 -0.091 0.000 1.319 358 H CB 0.054 29.703 29.762 -0.189 0.000 1.379 358 H HN 0.341 nan 8.280 nan 0.000 0.501 359 K N 0.790 121.180 120.400 -0.016 0.000 1.991 359 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 359 K C 1.769 178.270 176.600 -0.165 0.000 1.049 359 K CA 1.939 58.134 56.287 -0.154 0.000 0.932 359 K CB -0.141 32.177 32.500 -0.304 0.000 0.717 359 K HN 0.431 nan 8.250 nan 0.000 0.441 360 H N -0.069 119.015 119.070 0.024 0.000 2.423 360 H HA -0.052 4.504 4.556 -0.000 0.000 0.297 360 H C 2.381 177.741 175.328 0.055 0.000 1.075 360 H CA 1.653 57.720 56.048 0.032 0.000 1.342 360 H CB 0.084 29.860 29.762 0.023 0.000 1.395 360 H HN 0.432 nan 8.280 nan 0.000 0.530 361 S N 0.707 116.511 115.700 0.175 0.000 2.402 361 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 361 S C 1.981 176.657 174.600 0.126 0.000 1.021 361 S CA 0.713 59.010 58.200 0.160 0.000 0.974 361 S CB 0.008 63.322 63.200 0.190 0.000 0.800 361 S HN 0.343 nan 8.310 nan 0.000 0.484 362 R N 0.799 121.365 120.500 0.109 0.000 2.073 362 R HA 0.221 4.561 4.340 -0.000 0.000 0.229 362 R C 2.367 178.701 176.300 0.056 0.000 1.120 362 R CA 1.279 57.426 56.100 0.079 0.000 0.967 362 R CB -0.607 29.718 30.300 0.042 0.000 0.862 362 R HN 0.381 nan 8.270 nan 0.000 0.436 363 L N 0.523 121.775 121.223 0.050 0.000 2.083 363 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 363 L C 2.187 179.093 176.870 0.060 0.000 1.083 363 L CA 0.718 55.588 54.840 0.050 0.000 0.752 363 L CB -0.313 41.785 42.059 0.065 0.000 0.899 363 L HN 0.191 nan 8.230 nan 0.000 0.433 364 L N -0.554 120.714 121.223 0.075 0.000 2.622 364 L HA -0.096 4.244 4.340 -0.000 0.000 0.233 364 L C 2.199 179.090 176.870 0.036 0.000 1.156 364 L CA 1.401 56.276 54.840 0.058 0.000 0.866 364 L CB -0.386 41.714 42.059 0.068 0.000 0.980 364 L HN 0.087 nan 8.230 nan 0.000 0.448 365 R N -2.358 118.166 120.500 0.040 0.000 2.342 365 R HA 0.200 4.540 4.340 -0.000 0.000 0.204 365 R C 0.614 176.935 176.300 0.035 0.000 0.882 365 R CA -0.155 55.965 56.100 0.032 0.000 1.041 365 R CB 0.345 30.668 30.300 0.038 0.000 1.188 365 R HN 0.202 nan 8.270 nan 0.000 0.598 366 Q N 0.000 119.821 119.800 0.035 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 366 Q CB 0.000 28.754 28.738 0.027 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481