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 1fpy_1_E DATA FIRST_RESID 1 DATA SEQUENCE SAEHVLTMLN EHEVKFVDLR FTDTKGKEQH VTIPAHQVNA EFFEEGKMFD DATA SEQUENCE GSSIGGWKGI NESDMVLMPD ASTAVIDPFF ADSTLIIRCD ILEPGTLQGY DATA SEQUENCE DRDPRSIAKR AEDYLRATGI ADTVLFGPEP EFFLFDDIRF GASISGSHVA DATA SEQUENCE IDDIEGAWNS STKYEGGNKG HRPGVKGGYF PVPPVDSAQD IRSEMCLVME DATA SEQUENCE QMGLVVEAHH HEVATAGQNE VATRFNTMTK KADEIQIYKY VVHNVAHRFG DATA SEQUENCE KTATFMPKPM FGDNGSGMHC HMSLAKNGTN LFSGDKYAGL SEQALYYIGG DATA SEQUENCE VIKHAKAINA LANPTTNSYK RLVPGYEAPV MLAYSARNRS ASIRIPVVAS DATA SEQUENCE PKARRIEVRF PDPAANPYLC FAALLMAGLD GIKNKIHPGE PMDKNLYDLP DATA SEQUENCE PEEAKEIPQV AGSLEEALNA LDLDREFLKA GGVFTDEAID AYIALRREED DATA SEQUENCE DRVRMTPHPV EFELYYSV 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.481 174.600 -0.198 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 1 S CB 0.000 63.351 63.200 0.252 0.000 0.593 2 A N 1.946 124.526 122.820 -0.399 0.000 1.865 2 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 2 A C 2.031 179.371 177.584 -0.405 0.000 1.191 2 A CA 2.222 53.770 52.037 -0.816 0.000 0.623 2 A CB -0.993 17.604 19.000 -0.672 0.000 0.826 2 A HN 0.898 nan 8.150 nan 0.000 0.444 3 E N -0.309 119.779 120.200 -0.187 0.000 2.023 3 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 3 E C 1.920 178.527 176.600 0.012 0.000 1.003 3 E CA 2.075 58.437 56.400 -0.063 0.000 0.809 3 E CB -0.818 28.864 29.700 -0.029 0.000 0.755 3 E HN 0.762 nan 8.360 nan 0.000 0.449 4 H N -0.165 118.862 119.070 -0.072 0.000 2.292 4 H HA -0.173 4.383 4.556 -0.000 0.000 0.292 4 H C 2.018 177.348 175.328 0.004 0.000 1.100 4 H CA 2.197 58.228 56.048 -0.028 0.000 1.238 4 H CB -0.110 29.636 29.762 -0.026 0.000 1.355 4 H HN 0.187 nan 8.280 nan 0.000 0.484 5 V N 1.560 121.389 119.914 -0.142 0.000 2.282 5 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 5 V C 2.953 179.041 176.094 -0.010 0.000 1.057 5 V CA 1.562 63.790 62.300 -0.120 0.000 1.032 5 V CB -0.677 31.187 31.823 0.069 0.000 0.645 5 V HN 0.412 nan 8.190 nan 0.000 0.447 6 L N 0.606 121.847 121.223 0.030 0.000 2.042 6 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 6 L C 2.882 179.776 176.870 0.040 0.000 1.076 6 L CA 2.912 57.790 54.840 0.063 0.000 0.749 6 L CB -1.837 40.259 42.059 0.062 0.000 0.893 6 L HN 0.693 nan 8.230 nan 0.000 0.432 7 T N -2.399 112.173 114.554 0.030 0.000 2.777 7 T HA -0.280 4.070 4.350 -0.000 0.000 0.266 7 T C 1.929 176.647 174.700 0.029 0.000 1.040 7 T CA 1.468 63.589 62.100 0.036 0.000 1.141 7 T CB -0.195 68.709 68.868 0.060 0.000 0.868 7 T HN 0.197 nan 8.240 nan 0.000 0.444 8 M N 0.060 119.660 119.600 0.000 0.000 2.358 8 M HA 0.130 4.610 4.480 -0.000 0.000 0.264 8 M C 1.907 178.257 176.300 0.084 0.000 1.064 8 M CA 1.187 56.502 55.300 0.025 0.000 1.093 8 M CB -0.244 32.287 32.600 -0.115 0.000 1.401 8 M HN 0.331 nan 8.290 nan 0.000 0.440 9 L N -0.612 120.644 121.223 0.055 0.000 2.072 9 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 9 L C 1.659 178.564 176.870 0.058 0.000 1.079 9 L CA 1.263 56.140 54.840 0.062 0.000 0.752 9 L CB -0.735 41.355 42.059 0.052 0.000 0.906 9 L HN 0.313 nan 8.230 nan 0.000 0.436 10 N N -0.289 118.435 118.700 0.040 0.000 2.331 10 N HA -0.186 4.554 4.740 -0.000 0.000 0.180 10 N C 1.681 177.195 175.510 0.008 0.000 1.019 10 N CA 0.657 53.721 53.050 0.023 0.000 0.881 10 N CB 0.001 38.498 38.487 0.017 0.000 0.972 10 N HN 0.315 nan 8.380 nan 0.000 0.435 11 E N -0.222 119.977 120.200 -0.001 0.000 2.208 11 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 11 E C 0.543 177.034 176.600 -0.181 0.000 0.988 11 E CA 0.871 57.217 56.400 -0.090 0.000 0.828 11 E CB 0.163 29.799 29.700 -0.106 0.000 0.763 11 E HN 0.518 nan 8.360 nan 0.000 0.478 12 H N -0.148 118.926 119.070 0.007 0.000 2.674 12 H HA 0.157 4.713 4.556 -0.000 0.000 0.274 12 H C -0.452 174.882 175.328 0.010 0.000 1.121 12 H CA 0.202 56.256 56.048 0.010 0.000 1.132 12 H CB 0.568 30.335 29.762 0.010 0.000 1.606 12 H HN 0.209 nan 8.280 nan 0.000 0.558 13 E N 0.672 120.927 120.200 0.091 0.000 2.228 13 E HA -0.150 4.200 4.350 -0.000 0.000 0.213 13 E C -0.320 176.311 176.600 0.052 0.000 1.282 13 E CA 0.061 56.492 56.400 0.051 0.000 0.707 13 E CB -1.281 28.443 29.700 0.040 0.000 1.150 13 E HN 0.091 nan 8.360 nan 0.000 0.362 14 V N 1.168 121.117 119.914 0.059 0.000 2.585 14 V HA -0.083 4.037 4.120 -0.000 0.000 0.296 14 V C 1.550 177.614 176.094 -0.050 0.000 1.035 14 V CA 0.482 62.804 62.300 0.036 0.000 1.084 14 V CB 1.183 33.031 31.823 0.042 0.000 0.953 14 V HN 0.276 nan 8.190 nan 0.000 0.483 15 K N 3.107 123.456 120.400 -0.086 0.000 2.244 15 K HA 0.282 4.602 4.320 -0.000 0.000 0.200 15 K C -0.038 176.129 176.600 -0.722 0.000 1.052 15 K CA 0.859 56.920 56.287 -0.378 0.000 0.980 15 K CB 0.330 32.638 32.500 -0.321 0.000 0.838 15 K HN 0.533 nan 8.250 nan 0.000 0.481 16 F N -0.494 119.447 119.950 -0.015 0.000 2.640 16 F HA 0.433 4.960 4.527 -0.000 0.000 0.324 16 F C -0.338 175.458 175.800 -0.008 0.000 1.077 16 F CA -1.262 56.717 58.000 -0.035 0.000 0.965 16 F CB 1.600 40.592 39.000 -0.014 0.000 1.351 16 F HN -0.484 nan 8.300 nan 0.000 0.487 17 V N 0.789 120.820 119.914 0.195 0.000 2.525 17 V HA 0.311 4.431 4.120 -0.000 0.000 0.299 17 V C -1.519 174.656 176.094 0.135 0.000 1.034 17 V CA -0.641 61.728 62.300 0.116 0.000 0.863 17 V CB 1.794 33.629 31.823 0.019 0.000 0.999 17 V HN 0.639 nan 8.190 nan 0.000 0.423 18 D N 3.992 124.486 120.400 0.156 0.000 2.373 18 D HA 0.498 5.138 4.640 -0.000 0.000 0.227 18 D C -0.726 175.654 176.300 0.133 0.000 1.091 18 D CA -0.308 53.798 54.000 0.177 0.000 0.840 18 D CB 1.220 42.173 40.800 0.256 0.000 1.060 18 D HN 0.176 nan 8.370 nan 0.000 0.502 19 L N 4.453 125.753 121.223 0.129 0.000 2.281 19 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 19 L C 0.469 177.426 176.870 0.145 0.000 1.074 19 L CA 0.141 55.058 54.840 0.129 0.000 0.817 19 L CB 0.533 42.659 42.059 0.110 0.000 1.168 19 L HN 0.344 nan 8.230 nan 0.000 0.434 20 R N 4.330 124.907 120.500 0.128 0.000 2.750 20 R HA 0.798 5.138 4.340 -0.000 0.000 0.281 20 R C -1.034 175.377 176.300 0.186 0.000 0.972 20 R CA -0.675 55.470 56.100 0.074 0.000 0.912 20 R CB 2.378 32.659 30.300 -0.032 0.000 1.187 20 R HN 0.502 nan 8.270 nan 0.000 0.464 21 F N -2.255 117.705 119.950 0.018 0.000 2.745 21 F HA 0.600 5.127 4.527 -0.000 0.000 0.316 21 F C -1.282 174.570 175.800 0.088 0.000 1.155 21 F CA -0.970 57.059 58.000 0.048 0.000 0.937 21 F CB 1.673 40.704 39.000 0.053 0.000 1.361 21 F HN 0.199 nan 8.300 nan 0.000 0.472 22 T N 1.541 116.320 114.554 0.376 0.000 2.807 22 T HA 0.319 4.669 4.350 -0.000 0.000 0.279 22 T C -0.963 173.977 174.700 0.400 0.000 0.993 22 T CA -0.627 61.616 62.100 0.238 0.000 0.970 22 T CB 1.285 70.347 68.868 0.324 0.000 0.950 22 T HN 0.800 nan 8.240 nan 0.000 0.441 23 D N 1.806 122.291 120.400 0.141 0.000 2.411 23 D HA 0.109 4.749 4.640 -0.000 0.000 0.251 23 D C 0.945 177.355 176.300 0.185 0.000 1.201 23 D CA -0.313 53.700 54.000 0.023 0.000 0.996 23 D CB 0.872 41.507 40.800 -0.274 0.000 1.101 23 D HN 0.315 nan 8.370 nan 0.000 0.504 24 T N 0.614 115.268 114.554 0.166 0.000 2.652 24 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 24 T C 1.759 176.591 174.700 0.219 0.000 1.039 24 T CA 1.815 64.097 62.100 0.303 0.000 1.153 24 T CB -0.204 68.858 68.868 0.323 0.000 0.863 24 T HN 0.434 nan 8.240 nan 0.000 0.428 25 K N -0.065 120.378 120.400 0.071 0.000 2.209 25 K HA 0.065 4.385 4.320 -0.000 0.000 0.204 25 K C 1.622 178.277 176.600 0.091 0.000 1.048 25 K CA 1.053 57.364 56.287 0.040 0.000 0.940 25 K CB -0.091 32.392 32.500 -0.029 0.000 0.729 25 K HN 0.482 nan 8.250 nan 0.000 0.451 26 G N -0.026 108.828 108.800 0.091 0.000 2.260 26 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.179 26 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.179 26 G C -0.393 174.526 174.900 0.033 0.000 1.002 26 G CA -0.388 44.761 45.100 0.082 0.000 0.677 26 G HN 0.104 nan 8.290 nan 0.000 0.486 27 K N 2.027 122.428 120.400 0.002 0.000 2.379 27 K HA 0.429 4.749 4.320 -0.000 0.000 0.284 27 K C 0.470 177.024 176.600 -0.077 0.000 1.044 27 K CA -0.290 55.978 56.287 -0.032 0.000 0.974 27 K CB 0.553 33.024 32.500 -0.048 0.000 0.962 27 K HN 0.358 nan 8.250 nan 0.000 0.474 28 E N 3.619 123.774 120.200 -0.075 0.000 2.344 28 E HA -0.019 4.331 4.350 -0.000 0.000 0.270 28 E C -0.556 175.895 176.600 -0.249 0.000 1.021 28 E CA -0.228 56.088 56.400 -0.140 0.000 0.887 28 E CB 0.522 30.167 29.700 -0.092 0.000 0.997 28 E HN 0.443 nan 8.360 nan 0.000 0.429 29 Q N 2.902 122.385 119.800 -0.528 0.000 2.297 29 Q HA 0.354 4.694 4.340 -0.000 0.000 0.269 29 Q C -0.243 175.483 176.000 -0.456 0.000 1.051 29 Q CA -0.737 54.695 55.803 -0.619 0.000 0.869 29 Q CB 1.955 29.996 28.738 -1.163 0.000 1.346 29 Q HN 0.711 nan 8.270 nan 0.000 0.457 30 H N -2.247 116.620 119.070 -0.338 0.000 3.016 30 H HA 0.765 5.321 4.556 -0.000 0.000 0.362 30 H C -1.657 173.637 175.328 -0.056 0.000 1.233 30 H CA -0.912 55.043 56.048 -0.155 0.000 1.124 30 H CB 1.537 31.242 29.762 -0.094 0.000 1.850 30 H HN 0.399 nan 8.280 nan 0.000 0.549 31 V N 1.557 121.436 119.914 -0.059 0.000 2.891 31 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 31 V C -1.087 175.003 176.094 -0.005 0.000 1.171 31 V CA -0.235 61.984 62.300 -0.134 0.000 0.943 31 V CB 2.310 34.085 31.823 -0.079 0.000 1.037 31 V HN 1.091 nan 8.190 nan 0.000 0.427 32 T N 7.249 121.782 114.554 -0.035 0.000 2.824 32 T HA 0.760 5.110 4.350 -0.000 0.000 0.280 32 T C -0.760 173.950 174.700 0.015 0.000 0.995 32 T CA -0.239 61.871 62.100 0.017 0.000 1.009 32 T CB 1.438 70.282 68.868 -0.040 0.000 0.955 32 T HN 0.478 nan 8.240 nan 0.000 0.452 33 I N 3.899 124.494 120.570 0.043 0.000 2.545 33 I HA 0.437 4.607 4.170 -0.000 0.000 0.292 33 I C -2.495 173.623 176.117 0.002 0.000 1.040 33 I CA -2.632 58.654 61.300 -0.025 0.000 1.068 33 I CB 2.306 40.208 38.000 -0.163 0.000 1.251 33 I HN 0.370 nan 8.210 nan 0.000 0.424 34 P HA 0.147 nan 4.420 nan 0.000 0.269 34 P C 0.078 177.093 177.300 -0.475 0.000 1.209 34 P CA -0.118 62.720 63.100 -0.436 0.000 0.776 34 P CB 0.769 31.952 31.700 -0.863 0.000 0.876 35 A N 3.132 125.692 122.820 -0.434 0.000 1.978 35 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 35 A C 1.731 179.206 177.584 -0.182 0.000 1.170 35 A CA 2.204 54.096 52.037 -0.243 0.000 0.636 35 A CB -1.739 17.158 19.000 -0.173 0.000 0.810 35 A HN 0.798 nan 8.150 nan 0.000 0.448 36 H N -1.548 117.448 119.070 -0.124 0.000 2.491 36 H HA 0.019 4.575 4.556 -0.000 0.000 0.290 36 H C 1.453 176.724 175.328 -0.095 0.000 1.050 36 H CA 1.359 57.354 56.048 -0.089 0.000 1.309 36 H CB -0.387 29.327 29.762 -0.080 0.000 1.392 36 H HN 0.376 nan 8.280 nan 0.000 0.554 37 Q N 0.751 120.550 119.800 -0.001 0.000 2.482 37 Q HA 0.130 4.470 4.340 -0.000 0.000 0.209 37 Q C -0.027 175.831 176.000 -0.237 0.000 0.961 37 Q CA 0.177 55.951 55.803 -0.048 0.000 0.945 37 Q CB 0.361 29.001 28.738 -0.164 0.000 1.012 37 Q HN 0.364 nan 8.270 nan 0.000 0.515 38 V N 3.403 123.190 119.914 -0.213 0.000 2.348 38 V HA 0.162 4.282 4.120 -0.000 0.000 0.270 38 V C 0.057 176.202 176.094 0.084 0.000 1.037 38 V CA -0.488 61.701 62.300 -0.186 0.000 0.872 38 V CB 0.675 32.443 31.823 -0.092 0.000 1.002 38 V HN 0.367 nan 8.190 nan 0.000 0.464 39 N N 4.350 123.166 118.700 0.193 0.000 3.229 39 N HA 0.644 5.384 4.740 -0.000 0.000 0.315 39 N C 0.821 176.519 175.510 0.314 0.000 1.520 39 N CA -0.213 52.968 53.050 0.218 0.000 0.769 39 N CB 1.050 39.620 38.487 0.138 0.000 1.766 39 N HN 0.327 nan 8.380 nan 0.000 0.618 40 A N 0.165 123.119 122.820 0.224 0.000 1.859 40 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 40 A C 1.696 179.408 177.584 0.214 0.000 1.209 40 A CA 2.379 54.540 52.037 0.207 0.000 0.639 40 A CB -1.297 17.778 19.000 0.125 0.000 0.835 40 A HN 0.853 nan 8.150 nan 0.000 0.450 41 E N -0.641 119.657 120.200 0.163 0.000 2.204 41 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 41 E C 1.952 178.630 176.600 0.130 0.000 0.989 41 E CA 1.286 57.762 56.400 0.127 0.000 0.824 41 E CB -0.796 28.961 29.700 0.094 0.000 0.756 41 E HN 0.707 nan 8.360 nan 0.000 0.477 42 F N 0.973 120.929 119.950 0.011 0.000 2.147 42 F HA -0.249 4.278 4.527 -0.000 0.000 0.301 42 F C 1.830 177.525 175.800 -0.174 0.000 1.084 42 F CA 1.567 59.506 58.000 -0.101 0.000 1.268 42 F CB -0.219 38.677 39.000 -0.173 0.000 1.009 42 F HN -0.110 nan 8.300 nan 0.000 0.486 43 F N 0.716 120.486 119.950 -0.300 0.000 2.206 43 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 43 F C 2.249 177.914 175.800 -0.224 0.000 1.090 43 F CA 1.545 59.320 58.000 -0.375 0.000 1.323 43 F CB -0.237 38.653 39.000 -0.183 0.000 1.028 43 F HN -0.023 nan 8.300 nan 0.000 0.492 44 E N -0.360 119.872 120.200 0.054 0.000 2.250 44 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 44 E C 1.468 178.061 176.600 -0.013 0.000 0.986 44 E CA 1.013 57.429 56.400 0.027 0.000 0.849 44 E CB 0.025 29.752 29.700 0.044 0.000 0.797 44 E HN 0.544 nan 8.360 nan 0.000 0.482 45 E N -0.179 120.006 120.200 -0.025 0.000 2.562 45 E HA 0.234 4.584 4.350 -0.000 0.000 0.214 45 E C 0.950 177.531 176.600 -0.032 0.000 0.979 45 E CA 0.187 56.576 56.400 -0.018 0.000 1.002 45 E CB 0.607 30.314 29.700 0.012 0.000 1.048 45 E HN 0.095 nan 8.360 nan 0.000 0.488 46 G N 1.678 110.411 108.800 -0.111 0.000 2.601 46 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.261 46 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.261 46 G C -0.555 174.415 174.900 0.117 0.000 1.289 46 G CA 0.062 45.105 45.100 -0.094 0.000 0.920 46 G HN 0.152 nan 8.290 nan 0.000 0.571 47 K N -0.840 119.652 120.400 0.153 0.000 2.395 47 K HA 0.633 4.953 4.320 -0.000 0.000 0.247 47 K C 0.029 176.718 176.600 0.148 0.000 0.973 47 K CA -1.083 55.302 56.287 0.164 0.000 0.828 47 K CB 1.597 34.203 32.500 0.178 0.000 1.272 47 K HN 0.424 nan 8.250 nan 0.000 0.439 48 M N 2.090 121.767 119.600 0.129 0.000 2.274 48 M HA 0.458 4.938 4.480 -0.000 0.000 0.344 48 M C -0.299 176.139 176.300 0.231 0.000 1.161 48 M CA -0.472 54.905 55.300 0.129 0.000 1.126 48 M CB -0.088 32.543 32.600 0.052 0.000 1.522 48 M HN 0.597 nan 8.290 nan 0.000 0.461 49 F N 0.088 120.017 119.950 -0.035 0.000 2.725 49 F HA 0.465 4.992 4.527 -0.000 0.000 0.309 49 F C -1.590 174.192 175.800 -0.029 0.000 1.132 49 F CA -1.429 56.558 58.000 -0.022 0.000 0.957 49 F CB 1.113 40.107 39.000 -0.010 0.000 1.286 49 F HN 0.555 nan 8.300 nan 0.000 0.440 50 D N 1.739 121.925 120.400 -0.357 0.000 2.280 50 D HA 0.466 5.106 4.640 -0.000 0.000 0.243 50 D C 0.915 176.976 176.300 -0.397 0.000 1.129 50 D CA -0.080 53.679 54.000 -0.401 0.000 0.848 50 D CB 1.792 42.514 40.800 -0.130 0.000 1.107 50 D HN 0.907 nan 8.370 nan 0.000 0.471 51 G N 2.196 110.705 108.800 -0.486 0.000 2.683 51 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.213 51 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.213 51 G C 1.466 176.440 174.900 0.124 0.000 1.142 51 G CA 0.370 45.464 45.100 -0.010 0.000 0.793 51 G HN 0.549 nan 8.290 nan 0.000 0.534 52 S N 1.219 116.932 115.700 0.022 0.000 2.414 52 S HA -0.211 4.258 4.470 -0.000 0.000 0.241 52 S C 1.955 176.592 174.600 0.063 0.000 1.079 52 S CA 2.095 60.322 58.200 0.046 0.000 1.087 52 S CB -0.330 62.873 63.200 0.004 0.000 0.927 52 S HN 0.297 nan 8.310 nan 0.000 0.456 53 S N 0.840 116.575 115.700 0.058 0.000 2.667 53 S HA 0.446 4.916 4.470 -0.000 0.000 0.251 53 S C -0.008 174.607 174.600 0.025 0.000 1.075 53 S CA -0.228 57.996 58.200 0.040 0.000 1.130 53 S CB -0.361 62.861 63.200 0.036 0.000 0.795 53 S HN 0.429 nan 8.310 nan 0.000 0.462 54 I N 0.890 121.468 120.570 0.014 0.000 2.646 54 I HA 0.417 4.587 4.170 -0.000 0.000 0.299 54 I C 0.694 176.718 176.117 -0.155 0.000 1.036 54 I CA -1.192 60.037 61.300 -0.118 0.000 1.074 54 I CB 1.746 39.611 38.000 -0.225 0.000 1.258 54 I HN 0.271 nan 8.210 nan 0.000 0.430 55 G N 2.860 111.523 108.800 -0.228 0.000 2.255 55 G HA2 0.323 4.283 3.960 -0.000 0.000 0.267 55 G HA3 0.323 4.283 3.960 -0.000 0.000 0.267 55 G C 0.957 175.793 174.900 -0.107 0.000 1.177 55 G CA 0.551 45.562 45.100 -0.149 0.000 1.027 55 G HN 1.194 nan 8.290 nan 0.000 0.437 56 G N 1.760 110.594 108.800 0.057 0.000 2.225 56 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.267 56 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.267 56 G C 0.566 175.765 174.900 0.499 0.000 1.024 56 G CA 0.683 45.910 45.100 0.211 0.000 0.784 56 G HN 0.696 nan 8.290 nan 0.000 0.507 57 W N -0.043 121.341 121.300 0.140 0.000 2.714 57 W HA 0.402 5.062 4.660 -0.000 0.000 0.353 57 W C 1.329 177.915 176.519 0.111 0.000 0.999 57 W CA -1.232 56.235 57.345 0.203 0.000 1.629 57 W CB 0.071 29.671 29.460 0.233 0.000 1.106 57 W HN 0.104 nan 8.180 nan 0.000 0.545 58 K N 0.713 121.294 120.400 0.303 0.000 2.544 58 K HA 0.165 4.485 4.320 -0.000 0.000 0.274 58 K C 0.823 177.504 176.600 0.135 0.000 0.962 58 K CA 1.913 58.297 56.287 0.163 0.000 0.946 58 K CB -0.116 32.454 32.500 0.115 0.000 0.905 58 K HN 0.202 nan 8.250 nan 0.000 0.521 59 G N 2.284 111.130 108.800 0.075 0.000 2.906 59 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.235 59 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.235 59 G C -0.170 174.736 174.900 0.010 0.000 3.666 59 G CA -0.692 44.433 45.100 0.041 0.000 0.647 59 G HN 0.614 nan 8.290 nan 0.000 0.417 60 I N 0.513 121.091 120.570 0.014 0.000 3.496 60 I HA 0.105 4.275 4.170 -0.000 0.000 0.301 60 I C 0.870 176.981 176.117 -0.010 0.000 1.217 60 I CA 0.646 61.946 61.300 0.001 0.000 1.258 60 I CB -0.435 37.570 38.000 0.008 0.000 1.047 60 I HN 0.479 nan 8.210 nan 0.000 0.502 61 N N -0.555 118.134 118.700 -0.017 0.000 2.496 61 N HA -0.054 4.686 4.740 -0.000 0.000 0.262 61 N C 1.365 176.852 175.510 -0.039 0.000 0.981 61 N CA -0.037 52.999 53.050 -0.023 0.000 0.903 61 N CB 0.009 38.489 38.487 -0.012 0.000 1.737 61 N HN 0.292 nan 8.380 nan 0.000 0.715 62 E N 1.158 121.331 120.200 -0.045 0.000 2.372 62 E HA 0.078 4.428 4.350 -0.000 0.000 0.201 62 E C 0.036 176.564 176.600 -0.120 0.000 0.938 62 E CA 0.462 56.821 56.400 -0.069 0.000 0.944 62 E CB 0.014 29.684 29.700 -0.051 0.000 0.937 62 E HN 0.185 nan 8.360 nan 0.000 0.495 63 S N 1.664 117.286 115.700 -0.130 0.000 4.053 63 S HA 0.063 4.533 4.470 -0.000 0.000 0.184 63 S C -0.158 174.267 174.600 -0.291 0.000 1.324 63 S CA -0.375 57.690 58.200 -0.224 0.000 0.956 63 S CB -0.534 62.578 63.200 -0.148 0.000 1.503 63 S HN 0.071 nan 8.310 nan 0.000 0.440 64 D N 2.337 122.566 120.400 -0.285 0.000 2.485 64 D HA 0.405 5.045 4.640 -0.000 0.000 0.229 64 D C -0.358 175.723 176.300 -0.366 0.000 1.101 64 D CA -0.225 53.586 54.000 -0.316 0.000 0.906 64 D CB 0.650 41.333 40.800 -0.195 0.000 1.019 64 D HN 0.379 nan 8.370 nan 0.000 0.516 65 M N 1.020 120.282 119.600 -0.563 0.000 2.513 65 M HA 0.351 4.831 4.480 -0.000 0.000 0.291 65 M C -0.320 175.865 176.300 -0.192 0.000 1.190 65 M CA -0.774 54.258 55.300 -0.446 0.000 0.960 65 M CB 1.807 34.082 32.600 -0.542 0.000 1.517 65 M HN -0.063 nan 8.290 nan 0.000 0.499 66 V N 2.065 121.953 119.914 -0.042 0.000 2.435 66 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 66 V C -0.590 175.566 176.094 0.104 0.000 1.030 66 V CA -0.820 61.522 62.300 0.070 0.000 0.881 66 V CB 1.240 33.056 31.823 -0.010 0.000 0.983 66 V HN 0.565 nan 8.190 nan 0.000 0.445 67 L N 5.215 126.497 121.223 0.099 0.000 2.261 67 L HA 0.464 4.804 4.340 -0.000 0.000 0.289 67 L C -0.141 176.701 176.870 -0.046 0.000 1.059 67 L CA -0.226 54.587 54.840 -0.046 0.000 0.816 67 L CB 1.149 43.139 42.059 -0.114 0.000 1.191 67 L HN 0.622 nan 8.230 nan 0.000 0.431 68 M N 8.337 127.895 119.600 -0.070 0.000 2.080 68 M HA 0.408 4.888 4.480 -0.000 0.000 0.350 68 M C -2.371 173.866 176.300 -0.106 0.000 1.143 68 M CA -2.624 52.616 55.300 -0.101 0.000 1.064 68 M CB 0.767 33.324 32.600 -0.071 0.000 1.429 68 M HN 0.090 nan 8.290 nan 0.000 0.418 69 P HA 0.031 nan 4.420 nan 0.000 0.266 69 P C -0.983 176.313 177.300 -0.006 0.000 1.195 69 P CA 0.231 63.230 63.100 -0.168 0.000 0.768 69 P CB 0.497 31.835 31.700 -0.603 0.000 0.838 70 D N 2.257 122.702 120.400 0.074 0.000 2.464 70 D HA 0.290 4.930 4.640 -0.000 0.000 0.243 70 D C 1.296 177.693 176.300 0.161 0.000 1.104 70 D CA -0.783 53.278 54.000 0.102 0.000 0.883 70 D CB 0.759 41.599 40.800 0.067 0.000 1.050 70 D HN 0.247 nan 8.370 nan 0.000 0.524 71 A N 2.943 125.893 122.820 0.217 0.000 2.009 71 A HA -0.264 4.056 4.320 -0.000 0.000 0.222 71 A C 2.140 179.799 177.584 0.125 0.000 1.175 71 A CA 2.444 54.583 52.037 0.170 0.000 0.651 71 A CB -0.505 18.445 19.000 -0.083 0.000 0.815 71 A HN 0.617 nan 8.150 nan 0.000 0.459 72 S N -0.404 115.357 115.700 0.102 0.000 2.387 72 S HA -0.161 4.309 4.470 -0.000 0.000 0.226 72 S C 1.914 176.580 174.600 0.110 0.000 1.026 72 S CA 1.832 60.093 58.200 0.103 0.000 0.972 72 S CB -1.498 61.743 63.200 0.068 0.000 0.814 72 S HN 0.923 nan 8.310 nan 0.000 0.477 73 T N 0.457 115.071 114.554 0.099 0.000 3.098 73 T HA 0.315 4.665 4.350 -0.000 0.000 0.266 73 T C 0.741 175.487 174.700 0.077 0.000 1.145 73 T CA 0.407 62.559 62.100 0.085 0.000 1.092 73 T CB -0.898 68.019 68.868 0.081 0.000 0.908 73 T HN 0.655 nan 8.240 nan 0.000 0.526 74 A N 0.951 123.825 122.820 0.090 0.000 2.548 74 A HA 0.537 4.857 4.320 -0.000 0.000 0.247 74 A C 0.019 177.619 177.584 0.027 0.000 1.067 74 A CA -0.241 51.830 52.037 0.057 0.000 0.757 74 A CB -0.076 18.948 19.000 0.040 0.000 0.996 74 A HN 0.807 nan 8.150 nan 0.000 0.504 75 V N 4.966 124.876 119.914 -0.006 0.000 3.023 75 V HA 0.293 4.413 4.120 -0.000 0.000 0.294 75 V C -0.747 175.293 176.094 -0.092 0.000 1.324 75 V CA -1.010 61.266 62.300 -0.042 0.000 0.979 75 V CB 1.714 33.522 31.823 -0.024 0.000 1.093 75 V HN 0.806 nan 8.190 nan 0.000 0.434 76 I N 4.126 124.602 120.570 -0.157 0.000 2.815 76 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 76 I C 0.616 176.616 176.117 -0.194 0.000 1.209 76 I CA 0.637 61.813 61.300 -0.206 0.000 1.431 76 I CB 0.268 38.059 38.000 -0.348 0.000 1.351 76 I HN 0.705 nan 8.210 nan 0.000 0.585 77 D N 8.815 129.094 120.400 -0.201 0.000 2.295 77 D HA 0.171 4.811 4.640 -0.000 0.000 0.248 77 D C -1.687 174.428 176.300 -0.309 0.000 1.154 77 D CA -1.396 52.415 54.000 -0.314 0.000 0.857 77 D CB 2.006 42.454 40.800 -0.588 0.000 1.117 77 D HN 0.302 nan 8.370 nan 0.000 0.468 78 P HA 0.060 nan 4.420 nan 0.000 0.255 78 P C 0.630 177.634 177.300 -0.493 0.000 1.248 78 P CA 0.162 62.959 63.100 -0.506 0.000 0.807 78 P CB 0.114 31.416 31.700 -0.665 0.000 1.150 79 F N -1.157 118.733 119.950 -0.099 0.000 2.553 79 F HA 0.279 4.806 4.527 -0.000 0.000 0.282 79 F C 1.507 177.410 175.800 0.173 0.000 1.089 79 F CA -0.617 57.377 58.000 -0.010 0.000 1.411 79 F CB -0.879 38.074 39.000 -0.078 0.000 1.125 79 F HN -0.280 nan 8.300 nan 0.000 0.610 80 F N 0.600 120.667 119.950 0.195 0.000 2.563 80 F HA 0.178 4.705 4.527 -0.000 0.000 0.363 80 F C 1.590 177.437 175.800 0.080 0.000 1.123 80 F CA -0.421 57.646 58.000 0.111 0.000 1.307 80 F CB 0.714 39.761 39.000 0.079 0.000 1.115 80 F HN -0.001 nan 8.300 nan 0.000 0.592 81 A N 2.531 125.500 122.820 0.247 0.000 1.898 81 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 81 A C 0.162 177.835 177.584 0.149 0.000 1.181 81 A CA 0.977 53.105 52.037 0.151 0.000 0.620 81 A CB -0.579 18.475 19.000 0.091 0.000 0.819 81 A HN 0.766 nan 8.150 nan 0.000 0.442 82 D N -0.573 119.929 120.400 0.169 0.000 2.177 82 D HA 0.397 5.037 4.640 -0.000 0.000 0.247 82 D C -0.262 176.187 176.300 0.248 0.000 1.063 82 D CA -0.178 53.949 54.000 0.211 0.000 0.867 82 D CB 1.201 42.181 40.800 0.300 0.000 1.168 82 D HN 0.022 nan 8.370 nan 0.000 0.445 83 S N 1.455 117.269 115.700 0.190 0.000 2.752 83 S HA 0.155 4.625 4.470 -0.000 0.000 0.329 83 S C -0.143 174.573 174.600 0.193 0.000 1.204 83 S CA -0.125 58.167 58.200 0.153 0.000 1.252 83 S CB -0.788 62.477 63.200 0.109 0.000 1.053 83 S HN 0.486 nan 8.310 nan 0.000 0.533 84 T N 4.320 119.001 114.554 0.211 0.000 2.863 84 T HA 0.603 4.953 4.350 -0.000 0.000 0.285 84 T C -0.792 173.973 174.700 0.108 0.000 1.009 84 T CA -0.996 61.249 62.100 0.243 0.000 0.989 84 T CB 1.242 70.362 68.868 0.420 0.000 1.004 84 T HN 0.387 nan 8.240 nan 0.000 0.455 85 L N 4.593 125.870 121.223 0.091 0.000 2.295 85 L HA 0.667 5.006 4.340 -0.000 0.000 0.285 85 L C -0.735 176.168 176.870 0.055 0.000 1.035 85 L CA -0.737 54.123 54.840 0.033 0.000 0.806 85 L CB 0.638 42.716 42.059 0.032 0.000 1.214 85 L HN 0.724 nan 8.230 nan 0.000 0.426 86 I N 5.899 126.475 120.570 0.010 0.000 2.428 86 I HA 0.410 4.580 4.170 -0.000 0.000 0.296 86 I C -0.445 175.697 176.117 0.041 0.000 0.985 86 I CA -0.317 60.989 61.300 0.011 0.000 1.260 86 I CB 1.260 39.217 38.000 -0.071 0.000 1.389 86 I HN 0.471 nan 8.210 nan 0.000 0.484 87 I N 5.084 125.695 120.570 0.068 0.000 2.534 87 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 87 I C -0.255 175.915 176.117 0.089 0.000 1.094 87 I CA -0.626 60.730 61.300 0.095 0.000 1.055 87 I CB 1.974 40.060 38.000 0.142 0.000 1.225 87 I HN 0.545 nan 8.210 nan 0.000 0.435 88 R N 4.511 125.059 120.500 0.080 0.000 2.491 88 R HA 0.496 4.836 4.340 -0.000 0.000 0.283 88 R C -1.087 175.266 176.300 0.088 0.000 1.072 88 R CA 0.219 56.371 56.100 0.087 0.000 1.048 88 R CB 0.660 31.010 30.300 0.084 0.000 0.983 88 R HN 0.698 nan 8.270 nan 0.000 0.450 89 C N 2.248 121.612 119.300 0.107 0.000 2.719 89 C HA 0.531 4.991 4.460 -0.000 0.000 0.327 89 C C -0.858 174.158 174.990 0.044 0.000 1.238 89 C CA -0.805 58.250 59.018 0.060 0.000 1.727 89 C CB 1.921 29.689 27.740 0.046 0.000 2.256 89 C HN 0.769 nan 8.230 nan 0.000 0.489 90 D N 0.999 121.391 120.400 -0.014 0.000 2.252 90 D HA 0.419 5.059 4.640 -0.000 0.000 0.245 90 D C -0.791 175.467 176.300 -0.069 0.000 1.009 90 D CA -0.171 53.804 54.000 -0.041 0.000 0.870 90 D CB 1.667 42.437 40.800 -0.050 0.000 1.251 90 D HN 0.224 nan 8.370 nan 0.000 0.460 91 I N 2.812 123.331 120.570 -0.085 0.000 2.297 91 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 91 I C 0.326 176.391 176.117 -0.086 0.000 1.033 91 I CA -0.248 60.986 61.300 -0.110 0.000 1.253 91 I CB 0.327 38.213 38.000 -0.190 0.000 1.396 91 I HN 0.144 nan 8.210 nan 0.000 0.476 92 L N 4.321 125.494 121.223 -0.083 0.000 2.334 92 L HA 0.459 4.799 4.340 -0.000 0.000 0.270 92 L C 0.360 177.156 176.870 -0.123 0.000 1.018 92 L CA -1.027 53.767 54.840 -0.077 0.000 0.811 92 L CB 1.507 43.531 42.059 -0.059 0.000 1.271 92 L HN 0.416 nan 8.230 nan 0.000 0.443 93 E N 3.540 123.679 120.200 -0.102 0.000 2.316 93 E HA 0.180 4.530 4.350 -0.000 0.000 0.275 93 E C -2.324 174.209 176.600 -0.110 0.000 1.029 93 E CA -1.729 54.591 56.400 -0.133 0.000 0.871 93 E CB 0.763 30.420 29.700 -0.072 0.000 1.022 93 E HN 0.133 nan 8.360 nan 0.000 0.418 94 P HA 0.022 nan 4.420 nan 0.000 0.268 94 P C 0.724 177.985 177.300 -0.066 0.000 1.204 94 P CA 0.971 64.014 63.100 -0.095 0.000 0.768 94 P CB 1.050 32.683 31.700 -0.112 0.000 0.842 95 G N 3.252 112.023 108.800 -0.048 0.000 4.754 95 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.222 95 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.222 95 G C 1.345 176.226 174.900 -0.032 0.000 1.377 95 G CA 1.169 46.248 45.100 -0.036 0.000 0.942 95 G HN 0.698 nan 8.290 nan 0.000 0.671 96 T N -0.401 114.131 114.554 -0.036 0.000 2.665 96 T HA 0.003 4.353 4.350 -0.000 0.000 0.268 96 T C 1.669 176.351 174.700 -0.029 0.000 1.035 96 T CA 2.351 64.433 62.100 -0.030 0.000 1.151 96 T CB -0.255 68.595 68.868 -0.031 0.000 0.862 96 T HN 1.658 nan 8.240 nan 0.000 0.438 97 L N 0.992 122.192 121.223 -0.038 0.000 4.040 97 L HA -0.140 4.200 4.340 -0.000 0.000 0.410 97 L C 1.402 178.253 176.870 -0.032 0.000 1.187 97 L CA 1.302 56.120 54.840 -0.037 0.000 0.956 97 L CB -1.697 40.344 42.059 -0.030 0.000 2.022 97 L HN 0.748 nan 8.230 nan 0.000 0.897 98 Q N -0.019 119.762 119.800 -0.031 0.000 2.247 98 Q HA 0.486 4.826 4.340 -0.000 0.000 0.211 98 Q C 0.785 176.764 176.000 -0.036 0.000 0.861 98 Q CA 1.071 56.857 55.803 -0.029 0.000 0.949 98 Q CB 1.111 29.835 28.738 -0.023 0.000 1.115 98 Q HN 0.914 nan 8.270 nan 0.000 0.507 99 G N 1.515 110.293 108.800 -0.036 0.000 3.305 99 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.649 99 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.649 99 G C -1.508 173.380 174.900 -0.020 0.000 1.255 99 G CA -0.705 44.370 45.100 -0.042 0.000 1.137 99 G HN 0.194 nan 8.290 nan 0.000 0.535 100 Y N 2.637 122.815 120.300 -0.202 0.000 2.717 100 Y HA 0.165 4.715 4.550 -0.000 0.000 0.330 100 Y C 1.483 177.231 175.900 -0.253 0.000 1.217 100 Y CA 0.463 58.408 58.100 -0.258 0.000 1.506 100 Y CB 0.794 39.022 38.460 -0.386 0.000 1.268 100 Y HN 0.642 nan 8.280 nan 0.000 0.561 101 D N 3.637 123.777 120.400 -0.433 0.000 2.182 101 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 101 D C 1.652 177.543 176.300 -0.682 0.000 0.986 101 D CA 1.688 55.394 54.000 -0.491 0.000 0.847 101 D CB 0.210 40.800 40.800 -0.350 0.000 0.942 101 D HN 0.580 nan 8.370 nan 0.000 0.467 102 R N -0.173 119.544 120.500 -1.304 0.000 2.334 102 R HA 0.109 4.449 4.340 -0.000 0.000 0.212 102 R C -0.180 175.770 176.300 -0.584 0.000 0.897 102 R CA -0.116 55.439 56.100 -0.909 0.000 1.056 102 R CB 0.369 30.111 30.300 -0.930 0.000 1.046 102 R HN -0.013 nan 8.270 nan 0.000 0.513 103 D N 1.073 121.118 120.400 -0.592 0.000 2.342 103 D HA 0.026 4.666 4.640 -0.000 0.000 0.260 103 D C -1.727 174.465 176.300 -0.180 0.000 1.278 103 D CA -2.179 51.674 54.000 -0.245 0.000 0.910 103 D CB 1.285 41.973 40.800 -0.186 0.000 1.079 103 D HN -0.100 nan 8.370 nan 0.000 0.496 104 P HA -0.161 nan 4.420 nan 0.000 0.217 104 P C 1.307 178.420 177.300 -0.312 0.000 1.148 104 P CA 1.000 64.048 63.100 -0.088 0.000 0.828 104 P CB 0.178 31.950 31.700 0.119 0.000 0.783 105 R N -0.763 119.437 120.500 -0.501 0.000 2.090 105 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 105 R C 2.217 178.322 176.300 -0.325 0.000 1.110 105 R CA 1.451 57.135 56.100 -0.694 0.000 0.973 105 R CB -0.471 29.455 30.300 -0.624 0.000 0.869 105 R HN 0.086 nan 8.270 nan 0.000 0.440 106 S N 0.735 116.289 115.700 -0.242 0.000 2.356 106 S HA -0.083 4.387 4.470 -0.000 0.000 0.223 106 S C 1.847 176.326 174.600 -0.202 0.000 1.032 106 S CA 1.178 59.269 58.200 -0.183 0.000 1.005 106 S CB -0.125 62.974 63.200 -0.167 0.000 0.867 106 S HN 0.285 nan 8.310 nan 0.000 0.449 107 I N 1.637 122.040 120.570 -0.278 0.000 2.264 107 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 107 I C 2.637 178.605 176.117 -0.249 0.000 1.111 107 I CA 1.196 62.270 61.300 -0.376 0.000 1.382 107 I CB -0.528 37.115 38.000 -0.596 0.000 1.060 107 I HN 0.267 nan 8.210 nan 0.000 0.418 108 A N 0.851 123.583 122.820 -0.146 0.000 1.898 108 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 108 A C 2.329 179.919 177.584 0.009 0.000 1.181 108 A CA 1.496 53.529 52.037 -0.007 0.000 0.620 108 A CB -0.365 18.705 19.000 0.116 0.000 0.819 108 A HN 0.318 nan 8.150 nan 0.000 0.442 109 K N -0.556 119.826 120.400 -0.030 0.000 2.057 109 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 109 K C 2.317 178.921 176.600 0.007 0.000 1.050 109 K CA 1.279 57.566 56.287 0.000 0.000 0.935 109 K CB -0.183 32.303 32.500 -0.023 0.000 0.715 109 K HN 0.371 nan 8.250 nan 0.000 0.439 110 R N 0.484 120.961 120.500 -0.038 0.000 2.096 110 R HA -0.162 4.178 4.340 -0.000 0.000 0.240 110 R C 2.413 178.734 176.300 0.035 0.000 1.139 110 R CA 1.575 57.660 56.100 -0.024 0.000 0.952 110 R CB -0.507 29.732 30.300 -0.100 0.000 0.854 110 R HN 0.206 nan 8.270 nan 0.000 0.436 111 A N 1.217 124.044 122.820 0.013 0.000 1.940 111 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 111 A C 1.917 179.604 177.584 0.172 0.000 1.176 111 A CA 1.393 53.476 52.037 0.076 0.000 0.631 111 A CB -0.322 18.726 19.000 0.080 0.000 0.814 111 A HN 0.321 nan 8.150 nan 0.000 0.446 112 E N -0.247 120.038 120.200 0.142 0.000 2.150 112 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 112 E C 1.267 177.957 176.600 0.150 0.000 0.985 112 E CA 1.077 57.572 56.400 0.158 0.000 0.814 112 E CB -0.191 29.586 29.700 0.128 0.000 0.752 112 E HN 0.571 nan 8.360 nan 0.000 0.466 113 D N 0.398 120.876 120.400 0.131 0.000 2.084 113 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 113 D C 1.781 178.171 176.300 0.151 0.000 0.985 113 D CA 0.913 54.981 54.000 0.114 0.000 0.826 113 D CB -0.527 40.325 40.800 0.087 0.000 0.978 113 D HN 0.194 nan 8.370 nan 0.000 0.456 114 Y N 1.540 121.870 120.300 0.050 0.000 2.384 114 Y HA -0.167 4.383 4.550 -0.000 0.000 0.289 114 Y C 2.072 178.018 175.900 0.076 0.000 1.152 114 Y CA 0.928 59.062 58.100 0.057 0.000 1.258 114 Y CB -0.153 38.342 38.460 0.059 0.000 0.979 114 Y HN -0.040 nan 8.280 nan 0.000 0.549 115 L N 0.040 121.427 121.223 0.274 0.000 2.044 115 L HA -0.183 4.157 4.340 -0.000 0.000 0.205 115 L C 2.324 179.244 176.870 0.084 0.000 1.075 115 L CA 1.752 56.716 54.840 0.207 0.000 0.747 115 L CB -0.476 41.720 42.059 0.229 0.000 0.903 115 L HN 0.237 nan 8.230 nan 0.000 0.435 116 R N -0.560 119.985 120.500 0.075 0.000 2.115 116 R HA -0.098 4.242 4.340 -0.000 0.000 0.230 116 R C 2.264 178.562 176.300 -0.004 0.000 1.111 116 R CA 1.136 57.260 56.100 0.040 0.000 0.976 116 R CB -0.217 30.111 30.300 0.047 0.000 0.870 116 R HN 0.464 nan 8.270 nan 0.000 0.445 117 A N 0.702 123.500 122.820 -0.036 0.000 1.877 117 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 117 A C 2.136 179.632 177.584 -0.147 0.000 1.186 117 A CA 2.017 54.000 52.037 -0.090 0.000 0.620 117 A CB -0.892 18.040 19.000 -0.112 0.000 0.822 117 A HN 0.472 nan 8.150 nan 0.000 0.443 118 T N -3.416 110.996 114.554 -0.236 0.000 3.163 118 T HA 0.310 4.660 4.350 -0.000 0.000 0.260 118 T C 1.512 176.166 174.700 -0.077 0.000 1.156 118 T CA 1.126 63.103 62.100 -0.205 0.000 1.072 118 T CB -0.565 68.154 68.868 -0.247 0.000 0.937 118 T HN 1.710 nan 8.240 nan 0.000 0.528 119 G N 1.526 110.300 108.800 -0.043 0.000 2.216 119 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.269 119 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.269 119 G C 0.880 175.794 174.900 0.023 0.000 0.981 119 G CA 0.629 45.727 45.100 -0.004 0.000 0.658 119 G HN 0.622 nan 8.290 nan 0.000 0.539 120 I N 0.260 120.851 120.570 0.035 0.000 2.208 120 I HA 0.143 4.313 4.170 -0.000 0.000 0.245 120 I C 1.633 177.807 176.117 0.096 0.000 1.097 120 I CA 1.631 62.977 61.300 0.077 0.000 1.363 120 I CB -0.364 37.705 38.000 0.114 0.000 1.051 120 I HN 0.654 nan 8.210 nan 0.000 0.413 121 A N 0.429 123.306 122.820 0.094 0.000 2.599 121 A HA 0.401 4.721 4.320 -0.000 0.000 0.290 121 A C -0.716 176.914 177.584 0.077 0.000 1.101 121 A CA -0.267 51.824 52.037 0.090 0.000 0.674 121 A CB 0.809 19.877 19.000 0.114 0.000 1.277 121 A HN 0.192 nan 8.150 nan 0.000 0.419 122 D N -0.978 119.461 120.400 0.064 0.000 2.407 122 D HA 0.262 4.902 4.640 -0.000 0.000 0.208 122 D C 0.331 176.673 176.300 0.070 0.000 1.083 122 D CA 1.040 55.077 54.000 0.061 0.000 0.844 122 D CB 0.381 41.209 40.800 0.047 0.000 0.967 122 D HN 0.766 nan 8.370 nan 0.000 0.506 123 T N -2.140 112.457 114.554 0.072 0.000 3.012 123 T HA 0.557 4.907 4.350 -0.000 0.000 0.330 123 T C -0.802 173.941 174.700 0.071 0.000 1.321 123 T CA -0.965 61.184 62.100 0.083 0.000 1.067 123 T CB 1.709 70.623 68.868 0.076 0.000 1.235 123 T HN -0.087 nan 8.240 nan 0.000 0.479 124 V N 2.572 122.558 119.914 0.119 0.000 2.532 124 V HA 0.670 4.790 4.120 -0.000 0.000 0.295 124 V C -0.730 175.439 176.094 0.125 0.000 1.041 124 V CA -0.952 61.416 62.300 0.113 0.000 0.926 124 V CB 1.341 33.340 31.823 0.294 0.000 0.992 124 V HN 0.772 nan 8.190 nan 0.000 0.457 125 L N 4.566 125.753 121.223 -0.059 0.000 2.333 125 L HA 0.632 4.972 4.340 -0.000 0.000 0.280 125 L C -0.785 175.987 176.870 -0.162 0.000 1.004 125 L CA -0.259 54.567 54.840 -0.023 0.000 0.820 125 L CB 1.126 43.068 42.059 -0.195 0.000 1.247 125 L HN 0.482 nan 8.230 nan 0.000 0.416 126 F N 1.146 121.060 119.950 -0.060 0.000 2.507 126 F HA 0.717 5.244 4.527 -0.000 0.000 0.325 126 F C 0.677 176.447 175.800 -0.050 0.000 1.116 126 F CA -0.682 57.205 58.000 -0.188 0.000 0.930 126 F CB 2.487 41.193 39.000 -0.490 0.000 1.146 126 F HN 0.451 nan 8.300 nan 0.000 0.447 127 G N 4.268 113.109 108.800 0.068 0.000 3.171 127 G HA2 0.590 4.549 3.960 -0.000 0.000 0.305 127 G HA3 0.590 4.549 3.960 -0.000 0.000 0.305 127 G C -3.369 171.509 174.900 -0.037 0.000 1.584 127 G CA -1.482 43.662 45.100 0.074 0.000 1.070 127 G HN 0.220 nan 8.290 nan 0.000 0.535 128 P HA 0.420 nan 4.420 nan 0.000 0.290 128 P C -0.590 176.642 177.300 -0.112 0.000 1.275 128 P CA -0.552 62.529 63.100 -0.032 0.000 0.841 128 P CB 1.948 33.690 31.700 0.070 0.000 1.042 129 E N 2.783 122.907 120.200 -0.126 0.000 2.546 129 E HA 0.263 4.613 4.350 -0.000 0.000 0.227 129 E C -2.294 174.209 176.600 -0.163 0.000 1.009 129 E CA -1.892 54.411 56.400 -0.161 0.000 0.813 129 E CB 0.536 30.119 29.700 -0.195 0.000 1.269 129 E HN 0.342 nan 8.360 nan 0.000 0.432 130 P HA 0.130 nan 4.420 nan 0.000 0.288 130 P C -0.576 176.834 177.300 0.183 0.000 1.363 130 P CA -0.231 62.849 63.100 -0.034 0.000 0.837 130 P CB 0.783 32.343 31.700 -0.232 0.000 0.981 131 E N 2.892 123.158 120.200 0.109 0.000 2.314 131 E HA 0.620 4.969 4.350 -0.000 0.000 0.262 131 E C -0.222 176.461 176.600 0.138 0.000 1.093 131 E CA -0.400 55.987 56.400 -0.022 0.000 0.908 131 E CB 0.572 30.168 29.700 -0.172 0.000 1.091 131 E HN 0.449 nan 8.360 nan 0.000 0.425 132 F N -1.446 118.351 119.950 -0.255 0.000 2.817 132 F HA 0.591 5.118 4.527 -0.000 0.000 0.317 132 F C -1.662 173.829 175.800 -0.516 0.000 1.168 132 F CA -1.274 56.480 58.000 -0.409 0.000 0.911 132 F CB 0.862 39.344 39.000 -0.864 0.000 1.337 132 F HN 0.238 nan 8.300 nan 0.000 0.464 133 F N 1.230 121.085 119.950 -0.157 0.000 2.561 133 F HA 0.759 5.286 4.527 0.000 0.000 0.321 133 F C -0.740 174.733 175.800 -0.545 0.000 1.065 133 F CA -0.959 56.794 58.000 -0.412 0.000 0.934 133 F CB 2.249 40.879 39.000 -0.616 0.000 1.215 133 F HN 0.355 nan 8.300 nan 0.000 0.471 134 L N 3.418 124.422 121.223 -0.364 0.000 2.372 134 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 134 L C -1.121 175.604 176.870 -0.242 0.000 0.989 134 L CA -0.285 54.383 54.840 -0.288 0.000 0.841 134 L CB 0.955 42.959 42.059 -0.092 0.000 1.225 134 L HN 0.533 nan 8.230 nan 0.000 0.414 135 F N 0.998 121.037 119.950 0.148 0.000 2.525 135 F HA 0.423 4.950 4.527 -0.000 0.000 0.346 135 F C 0.900 176.766 175.800 0.109 0.000 1.072 135 F CA -0.785 57.300 58.000 0.141 0.000 1.033 135 F CB 1.454 40.542 39.000 0.147 0.000 1.324 135 F HN 0.360 nan 8.300 nan 0.000 0.491 136 D N -0.807 119.798 120.400 0.341 0.000 2.470 136 D HA 0.065 4.705 4.640 -0.000 0.000 0.238 136 D C -0.727 175.678 176.300 0.176 0.000 1.054 136 D CA 0.839 54.961 54.000 0.204 0.000 0.896 136 D CB 0.510 41.416 40.800 0.178 0.000 1.118 136 D HN 0.529 nan 8.370 nan 0.000 0.497 137 D N -0.301 120.218 120.400 0.198 0.000 2.977 137 D HA 0.386 5.026 4.640 -0.000 0.000 0.220 137 D C -1.797 174.568 176.300 0.108 0.000 1.267 137 D CA -0.651 53.427 54.000 0.130 0.000 0.884 137 D CB 1.933 42.787 40.800 0.090 0.000 1.667 137 D HN -0.207 nan 8.370 nan 0.000 0.536 138 I N 2.847 123.475 120.570 0.097 0.000 2.512 138 I HA 0.533 4.703 4.170 -0.000 0.000 0.287 138 I C -1.542 174.597 176.117 0.036 0.000 1.069 138 I CA -0.253 61.100 61.300 0.089 0.000 1.056 138 I CB 1.237 39.359 38.000 0.204 0.000 1.229 138 I HN 0.488 nan 8.210 nan 0.000 0.429 139 R N 6.977 127.489 120.500 0.021 0.000 2.744 139 R HA 0.858 5.198 4.340 -0.000 0.000 0.279 139 R C -1.599 174.681 176.300 -0.033 0.000 0.977 139 R CA -0.693 55.347 56.100 -0.100 0.000 0.906 139 R CB 2.263 32.554 30.300 -0.015 0.000 1.197 139 R HN 0.574 nan 8.270 nan 0.000 0.463 140 F N -1.838 118.009 119.950 -0.171 0.000 2.807 140 F HA 0.813 5.340 4.527 -0.000 0.000 0.316 140 F C -0.843 174.639 175.800 -0.529 0.000 1.162 140 F CA -0.976 56.719 58.000 -0.508 0.000 0.910 140 F CB 1.385 40.212 39.000 -0.289 0.000 1.314 140 F HN 0.731 nan 8.300 nan 0.000 0.454 141 G N -0.185 108.397 108.800 -0.363 0.000 2.355 141 G HA2 0.763 4.723 3.960 -0.000 0.000 0.296 141 G HA3 0.763 4.723 3.960 -0.000 0.000 0.296 141 G C -2.519 172.358 174.900 -0.039 0.000 1.507 141 G CA -0.274 44.774 45.100 -0.087 0.000 0.823 141 G HN 1.800 nan 8.290 nan 0.000 0.569 142 A N -0.270 122.575 122.820 0.041 0.000 2.427 142 A HA 0.988 5.308 4.320 -0.000 0.000 0.298 142 A C -0.150 177.463 177.584 0.049 0.000 1.036 142 A CA 0.288 52.351 52.037 0.043 0.000 0.701 142 A CB 1.692 20.710 19.000 0.031 0.000 1.250 142 A HN 2.301 nan 8.150 nan 0.000 0.412 143 S N 1.653 117.382 115.700 0.048 0.000 2.720 143 S HA 0.550 5.020 4.470 -0.000 0.000 0.287 143 S C 0.908 175.530 174.600 0.037 0.000 1.168 143 S CA 0.018 58.241 58.200 0.038 0.000 0.832 143 S CB 0.809 64.030 63.200 0.034 0.000 1.166 143 S HN 1.412 nan 8.310 nan 0.000 0.493 144 I N 1.782 122.372 120.570 0.033 0.000 2.286 144 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 144 I C 1.987 178.127 176.117 0.038 0.000 1.115 144 I CA 2.247 63.570 61.300 0.038 0.000 1.392 144 I CB -0.301 37.718 38.000 0.032 0.000 1.065 144 I HN 0.819 nan 8.210 nan 0.000 0.418 145 S N -0.211 115.501 115.700 0.021 0.000 2.561 145 S HA 0.376 4.846 4.470 -0.000 0.000 0.225 145 S C 0.759 175.342 174.600 -0.029 0.000 0.977 145 S CA 0.154 58.355 58.200 0.002 0.000 0.926 145 S CB 0.054 63.248 63.200 -0.010 0.000 0.769 145 S HN 0.708 nan 8.310 nan 0.000 0.533 146 G N 0.076 108.869 108.800 -0.012 0.000 2.323 146 G HA2 0.471 4.431 3.960 -0.000 0.000 0.291 146 G HA3 0.471 4.431 3.960 -0.000 0.000 0.291 146 G C -1.360 173.552 174.900 0.021 0.000 1.278 146 G CA -0.241 44.834 45.100 -0.042 0.000 0.860 146 G HN 1.079 nan 8.290 nan 0.000 0.504 147 S N -0.799 114.918 115.700 0.029 0.000 2.587 147 S HA 0.885 5.355 4.470 -0.000 0.000 0.269 147 S C -1.039 173.633 174.600 0.120 0.000 1.154 147 S CA -0.009 58.234 58.200 0.071 0.000 0.824 147 S CB 2.271 65.476 63.200 0.008 0.000 1.118 147 S HN 2.404 nan 8.310 nan 0.000 0.462 148 H N -1.488 117.563 119.070 -0.032 0.000 2.904 148 H HA 0.795 5.351 4.556 -0.000 0.000 0.290 148 H C -2.129 173.208 175.328 0.015 0.000 1.437 148 H CA -0.703 55.318 56.048 -0.044 0.000 1.147 148 H CB 0.840 30.567 29.762 -0.058 0.000 1.824 148 H HN 1.254 nan 8.280 nan 0.000 0.505 149 V N 0.165 120.071 119.914 -0.013 0.000 2.969 149 V HA 0.771 4.891 4.120 -0.000 0.000 0.304 149 V C -1.516 174.587 176.094 0.014 0.000 1.192 149 V CA 0.195 62.487 62.300 -0.014 0.000 0.962 149 V CB 1.451 33.236 31.823 -0.063 0.000 1.045 149 V HN 1.407 nan 8.190 nan 0.000 0.428 150 A N 7.300 130.129 122.820 0.015 0.000 2.402 150 A HA 0.869 5.189 4.320 -0.000 0.000 0.291 150 A C -1.150 176.364 177.584 -0.117 0.000 1.051 150 A CA -0.476 51.522 52.037 -0.064 0.000 0.716 150 A CB 1.121 20.115 19.000 -0.010 0.000 1.223 150 A HN 0.861 nan 8.150 nan 0.000 0.425 151 I N 1.424 121.846 120.570 -0.247 0.000 2.525 151 I HA 0.594 4.764 4.170 -0.000 0.000 0.301 151 I C -0.848 175.209 176.117 -0.100 0.000 0.992 151 I CA -0.585 60.526 61.300 -0.315 0.000 1.162 151 I CB 2.156 39.813 38.000 -0.573 0.000 1.332 151 I HN 0.557 nan 8.210 nan 0.000 0.458 152 D N 3.074 123.511 120.400 0.062 0.000 2.937 152 D HA 0.393 5.033 4.640 -0.000 0.000 0.215 152 D C -1.884 174.624 176.300 0.347 0.000 1.274 152 D CA -0.249 53.973 54.000 0.370 0.000 0.869 152 D CB 2.493 43.459 40.800 0.278 0.000 1.675 152 D HN 0.526 nan 8.370 nan 0.000 0.538 153 D N 1.718 122.332 120.400 0.356 0.000 2.596 153 D HA 0.260 4.900 4.640 -0.000 0.000 0.234 153 D C 0.689 177.044 176.300 0.092 0.000 1.181 153 D CA -0.648 53.503 54.000 0.252 0.000 0.856 153 D CB 1.859 42.859 40.800 0.333 0.000 1.498 153 D HN 0.235 nan 8.370 nan 0.000 0.446 154 I N 1.395 122.023 120.570 0.097 0.000 2.454 154 I HA -0.084 4.086 4.170 -0.000 0.000 0.254 154 I C 1.370 177.447 176.117 -0.066 0.000 1.156 154 I CA 1.684 63.009 61.300 0.042 0.000 1.433 154 I CB 0.037 38.054 38.000 0.028 0.000 1.082 154 I HN 0.476 nan 8.210 nan 0.000 0.432 155 E N 0.437 120.599 120.200 -0.062 0.000 2.371 155 E HA 0.084 4.434 4.350 -0.000 0.000 0.194 155 E C 1.203 177.641 176.600 -0.269 0.000 1.012 155 E CA 0.353 56.691 56.400 -0.103 0.000 0.860 155 E CB -0.238 29.456 29.700 -0.010 0.000 0.811 155 E HN 0.576 nan 8.360 nan 0.000 0.502 156 G N 1.058 109.537 108.800 -0.535 0.000 2.202 156 G HA2 0.046 4.006 3.960 -0.000 0.000 0.251 156 G HA3 0.046 4.006 3.960 -0.000 0.000 0.251 156 G C 1.002 175.282 174.900 -1.034 0.000 1.219 156 G CA 0.405 44.695 45.100 -1.350 0.000 0.943 156 G HN 0.189 nan 8.290 nan 0.000 0.465 157 A N 3.292 125.768 122.820 -0.573 0.000 1.986 157 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 157 A C 1.993 179.524 177.584 -0.088 0.000 1.171 157 A CA 1.952 53.872 52.037 -0.195 0.000 0.640 157 A CB -0.664 18.339 19.000 0.004 0.000 0.811 157 A HN 1.167 nan 8.150 nan 0.000 0.451 158 W N 0.010 121.347 121.300 0.062 0.000 2.421 158 W HA -0.056 4.604 4.660 0.000 0.000 0.270 158 W C 0.949 177.505 176.519 0.061 0.000 1.233 158 W CA 0.782 58.158 57.345 0.052 0.000 1.226 158 W CB -0.745 28.739 29.460 0.040 0.000 1.121 158 W HN 0.183 nan 8.180 nan 0.000 0.579 159 N N 1.097 119.712 118.700 -0.142 0.000 2.521 159 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 159 N C 1.708 177.258 175.510 0.068 0.000 1.146 159 N CA 1.296 54.360 53.050 0.024 0.000 0.893 159 N CB -0.380 38.104 38.487 -0.005 0.000 0.975 159 N HN 0.453 nan 8.380 nan 0.000 0.451 160 S N -0.429 115.285 115.700 0.024 0.000 2.419 160 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 160 S C 1.965 176.595 174.600 0.049 0.000 1.016 160 S CA 1.353 59.564 58.200 0.018 0.000 0.974 160 S CB -0.295 62.913 63.200 0.014 0.000 0.786 160 S HN 0.380 nan 8.310 nan 0.000 0.492 161 S N 0.192 115.939 115.700 0.079 0.000 2.492 161 S HA 0.144 4.614 4.470 -0.000 0.000 0.218 161 S C 0.744 175.395 174.600 0.085 0.000 1.016 161 S CA -0.128 58.117 58.200 0.075 0.000 0.916 161 S CB -0.823 62.423 63.200 0.076 0.000 0.791 161 S HN 0.370 nan 8.310 nan 0.000 0.513 162 T N 3.803 118.426 114.554 0.115 0.000 2.934 162 T HA 0.141 4.491 4.350 -0.000 0.000 0.306 162 T C -0.076 174.680 174.700 0.094 0.000 1.042 162 T CA 0.327 62.474 62.100 0.077 0.000 1.145 162 T CB 0.328 69.241 68.868 0.074 0.000 0.982 162 T HN 0.312 nan 8.240 nan 0.000 0.544 163 K N 2.657 123.048 120.400 -0.014 0.000 2.205 163 K HA 0.342 4.662 4.320 -0.000 0.000 0.279 163 K C -0.861 175.697 176.600 -0.070 0.000 1.027 163 K CA -0.263 56.037 56.287 0.022 0.000 0.932 163 K CB 0.806 33.304 32.500 -0.003 0.000 1.032 163 K HN 0.560 nan 8.250 nan 0.000 0.466 164 Y N 0.638 120.938 120.300 0.000 0.000 2.562 164 Y HA 0.043 4.593 4.550 0.000 0.000 0.343 164 Y C 1.517 177.416 175.900 -0.001 0.000 1.025 164 Y CA -0.642 57.458 58.100 0.001 0.000 1.082 164 Y CB 1.525 39.983 38.460 -0.003 0.000 1.264 164 Y HN 0.617 nan 8.280 nan 0.000 0.478 165 E N 1.745 122.037 120.200 0.153 0.000 2.048 165 E HA -0.173 4.177 4.350 -0.000 0.000 0.202 165 E C 1.448 178.097 176.600 0.081 0.000 1.021 165 E CA 1.754 58.205 56.400 0.086 0.000 0.825 165 E CB -0.383 29.361 29.700 0.074 0.000 0.756 165 E HN 0.913 nan 8.360 nan 0.000 0.454 166 G N -0.582 108.274 108.800 0.094 0.000 3.609 166 G HA2 0.425 4.385 3.960 -0.000 0.000 0.280 166 G HA3 0.425 4.385 3.960 -0.000 0.000 0.280 166 G C 0.158 175.086 174.900 0.047 0.000 1.155 166 G CA 0.382 45.514 45.100 0.054 0.000 0.876 166 G HN 0.492 nan 8.290 nan 0.000 0.535 167 G N 0.173 109.020 108.800 0.080 0.000 2.719 167 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 167 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 167 G C -0.642 174.276 174.900 0.030 0.000 1.201 167 G CA -0.691 44.444 45.100 0.057 0.000 0.768 167 G HN 0.498 nan 8.290 nan 0.000 0.629 168 N N 0.789 119.506 118.700 0.029 0.000 2.408 168 N HA 0.275 5.015 4.740 -0.000 0.000 0.257 168 N C 1.178 176.600 175.510 -0.147 0.000 1.064 168 N CA -0.556 52.447 53.050 -0.078 0.000 0.952 168 N CB 0.903 39.431 38.487 0.068 0.000 1.093 168 N HN 0.438 nan 8.380 nan 0.000 0.490 169 K N 2.409 122.670 120.400 -0.231 0.000 2.444 169 K HA 0.131 4.451 4.320 -0.000 0.000 0.193 169 K C 1.078 177.498 176.600 -0.300 0.000 1.024 169 K CA 0.259 56.427 56.287 -0.199 0.000 1.077 169 K CB -0.506 31.906 32.500 -0.147 0.000 0.833 169 K HN 0.795 nan 8.250 nan 0.000 0.517 170 G N 2.375 111.006 108.800 -0.281 0.000 2.291 170 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.287 170 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.287 170 G C -0.117 174.586 174.900 -0.329 0.000 0.998 170 G CA 0.617 45.548 45.100 -0.282 0.000 0.728 170 G HN 0.458 nan 8.290 nan 0.000 0.519 171 H N 0.515 119.538 119.070 -0.077 0.000 2.914 171 H HA 0.402 4.958 4.556 -0.000 0.000 0.264 171 H C 0.994 176.279 175.328 -0.071 0.000 1.433 171 H CA 0.024 56.035 56.048 -0.062 0.000 1.342 171 H CB 0.196 29.928 29.762 -0.050 0.000 1.582 171 H HN 0.427 nan 8.280 nan 0.000 0.525 172 R N 2.359 122.868 120.500 0.015 0.000 2.778 172 R HA 0.392 4.731 4.340 -0.000 0.000 0.277 172 R C -2.554 173.728 176.300 -0.031 0.000 0.977 172 R CA -1.843 54.237 56.100 -0.034 0.000 0.950 172 R CB 1.531 31.777 30.300 -0.091 0.000 1.165 172 R HN 0.296 nan 8.270 nan 0.000 0.474 173 P HA 0.278 nan 4.420 nan 0.000 0.274 173 P C -0.501 176.777 177.300 -0.036 0.000 1.246 173 P CA -0.281 62.784 63.100 -0.059 0.000 0.795 173 P CB 1.006 32.673 31.700 -0.055 0.000 1.006 174 G N -1.002 107.746 108.800 -0.087 0.000 2.815 174 G HA2 0.320 4.280 3.960 -0.000 0.000 0.305 174 G HA3 0.320 4.280 3.960 -0.000 0.000 0.305 174 G C -1.054 173.843 174.900 -0.005 0.000 1.277 174 G CA -0.584 44.496 45.100 -0.032 0.000 0.795 174 G HN 0.379 nan 8.290 nan 0.000 0.528 175 V N 2.021 121.957 119.914 0.037 0.000 2.621 175 V HA 0.049 4.169 4.120 -0.000 0.000 0.300 175 V C 0.939 177.060 176.094 0.045 0.000 1.031 175 V CA 1.901 64.242 62.300 0.068 0.000 1.210 175 V CB -0.025 31.841 31.823 0.073 0.000 0.864 175 V HN 0.872 nan 8.190 nan 0.000 0.477 176 K N 3.202 123.650 120.400 0.080 0.000 3.467 176 K HA -0.201 4.119 4.320 -0.000 0.000 0.309 176 K C 1.230 177.829 176.600 -0.002 0.000 1.350 176 K CA 0.656 56.987 56.287 0.074 0.000 0.934 176 K CB -2.078 30.448 32.500 0.044 0.000 1.312 176 K HN 1.359 nan 8.250 nan 0.000 0.461 177 G N 1.311 110.054 108.800 -0.096 0.000 2.414 177 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.340 177 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.340 177 G C 0.808 175.354 174.900 -0.590 0.000 0.922 177 G CA 1.489 46.307 45.100 -0.469 0.000 0.725 177 G HN 1.217 nan 8.290 nan 0.000 0.516 178 G N -1.172 107.479 108.800 -0.249 0.000 2.318 178 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 178 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 178 G C 0.111 174.846 174.900 -0.275 0.000 0.329 178 G CA 0.482 45.474 45.100 -0.179 0.000 1.034 178 G HN 0.667 nan 8.290 nan 0.000 0.438 179 Y N 0.578 120.797 120.300 -0.135 0.000 2.316 179 Y HA 0.489 5.039 4.550 -0.000 0.000 0.324 179 Y C 1.625 177.471 175.900 -0.089 0.000 1.267 179 Y CA -0.121 57.905 58.100 -0.122 0.000 1.311 179 Y CB 0.644 38.938 38.460 -0.277 0.000 1.267 179 Y HN 0.592 nan 8.280 nan 0.000 0.516 180 F N -1.145 119.001 119.950 0.328 0.000 3.043 180 F HA -0.198 4.329 4.527 -0.000 0.000 0.290 180 F C -2.413 173.440 175.800 0.088 0.000 0.844 180 F CA -1.028 57.076 58.000 0.174 0.000 1.184 180 F CB -1.694 37.334 39.000 0.047 0.000 1.246 180 F HN 0.278 nan 8.300 nan 0.000 0.536 181 P HA 0.143 nan 4.420 nan 0.000 0.269 181 P C -0.012 177.359 177.300 0.119 0.000 1.209 181 P CA 0.085 63.193 63.100 0.014 0.000 0.776 181 P CB 0.867 32.510 31.700 -0.096 0.000 0.876 182 V N 1.549 121.509 119.914 0.076 0.000 2.775 182 V HA 0.306 4.426 4.120 -0.000 0.000 0.299 182 V C -2.250 173.865 176.094 0.035 0.000 1.062 182 V CA -2.210 60.136 62.300 0.075 0.000 1.063 182 V CB -0.520 31.325 31.823 0.036 0.000 0.994 182 V HN 0.423 nan 8.190 nan 0.000 0.483 183 P HA 0.119 nan 4.420 nan 0.000 0.269 183 P C -1.867 175.408 177.300 -0.042 0.000 1.211 183 P CA -0.730 62.372 63.100 0.005 0.000 0.781 183 P CB -0.071 31.636 31.700 0.012 0.000 0.877 184 P HA -0.020 nan 4.420 nan 0.000 0.245 184 P C 0.916 178.218 177.300 0.002 0.000 1.212 184 P CA 0.504 63.590 63.100 -0.023 0.000 0.774 184 P CB 0.025 31.726 31.700 0.001 0.000 0.999 185 V N 0.688 120.588 119.914 -0.023 0.000 2.407 185 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 185 V C 1.248 177.349 176.094 0.011 0.000 1.055 185 V CA 1.915 64.217 62.300 0.005 0.000 1.049 185 V CB -1.224 30.583 31.823 -0.027 0.000 0.662 185 V HN 0.209 nan 8.190 nan 0.000 0.455 186 D N 0.162 120.579 120.400 0.028 0.000 2.468 186 D HA 0.088 4.728 4.640 -0.000 0.000 0.218 186 D C 1.255 177.557 176.300 0.003 0.000 1.155 186 D CA 0.452 54.483 54.000 0.051 0.000 0.924 186 D CB 0.842 41.721 40.800 0.133 0.000 1.029 186 D HN 0.300 nan 8.370 nan 0.000 0.515 187 S N 2.262 117.959 115.700 -0.004 0.000 2.727 187 S HA 0.083 4.553 4.470 -0.000 0.000 0.226 187 S C 1.079 175.657 174.600 -0.037 0.000 0.963 187 S CA 0.127 58.320 58.200 -0.012 0.000 0.950 187 S CB -0.008 63.190 63.200 -0.003 0.000 0.779 187 S HN 0.397 nan 8.310 nan 0.000 0.532 188 A N -0.053 122.710 122.820 -0.094 0.000 2.616 188 A HA 0.413 4.733 4.320 -0.000 0.000 0.294 188 A C 1.679 179.124 177.584 -0.233 0.000 1.091 188 A CA -0.476 51.466 52.037 -0.158 0.000 0.971 188 A CB 0.071 18.953 19.000 -0.196 0.000 1.222 188 A HN 0.306 nan 8.150 nan 0.000 0.521 189 Q N 0.822 120.530 119.800 -0.154 0.000 1.967 189 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 189 Q C 0.893 176.828 176.000 -0.107 0.000 0.985 189 Q CA 2.018 57.755 55.803 -0.109 0.000 0.839 189 Q CB -0.178 28.567 28.738 0.012 0.000 0.906 189 Q HN 0.646 nan 8.270 nan 0.000 0.423 190 D N 0.304 120.687 120.400 -0.029 0.000 2.158 190 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 190 D C 2.008 178.280 176.300 -0.047 0.000 0.995 190 D CA 0.969 54.985 54.000 0.027 0.000 0.846 190 D CB -0.260 40.610 40.800 0.115 0.000 0.941 190 D HN 0.331 nan 8.370 nan 0.000 0.456 191 I N 0.382 120.835 120.570 -0.194 0.000 2.133 191 I HA -0.217 3.953 4.170 -0.000 0.000 0.238 191 I C 2.540 178.376 176.117 -0.467 0.000 1.074 191 I CA 0.937 61.905 61.300 -0.552 0.000 1.342 191 I CB -0.409 37.285 38.000 -0.511 0.000 1.053 191 I HN -0.114 nan 8.210 nan 0.000 0.404 192 R N 0.944 121.177 120.500 -0.445 0.000 2.096 192 R HA -0.141 4.199 4.340 -0.000 0.000 0.240 192 R C 2.567 178.585 176.300 -0.469 0.000 1.139 192 R CA 1.859 57.635 56.100 -0.540 0.000 0.952 192 R CB -0.570 29.186 30.300 -0.906 0.000 0.854 192 R HN 0.294 nan 8.270 nan 0.000 0.436 193 S N 0.624 116.097 115.700 -0.377 0.000 2.402 193 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 193 S C 1.722 176.291 174.600 -0.050 0.000 1.030 193 S CA 1.123 59.285 58.200 -0.064 0.000 1.003 193 S CB -0.128 63.114 63.200 0.071 0.000 0.813 193 S HN 0.289 nan 8.310 nan 0.000 0.477 194 E N 1.186 121.327 120.200 -0.098 0.000 2.028 194 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 194 E C 2.115 178.666 176.600 -0.082 0.000 0.988 194 E CA 0.948 57.318 56.400 -0.050 0.000 0.799 194 E CB -0.365 29.315 29.700 -0.032 0.000 0.755 194 E HN 0.551 nan 8.360 nan 0.000 0.447 195 M N 0.044 119.544 119.600 -0.167 0.000 2.108 195 M HA -0.260 4.220 4.480 -0.000 0.000 0.257 195 M C 2.664 178.902 176.300 -0.103 0.000 1.071 195 M CA 1.383 56.586 55.300 -0.163 0.000 1.093 195 M CB -0.748 31.705 32.600 -0.245 0.000 1.345 195 M HN 0.169 nan 8.290 nan 0.000 0.403 196 C N 0.647 119.907 119.300 -0.065 0.000 2.455 196 C HA -0.124 4.336 4.460 -0.000 0.000 0.281 196 C C 2.731 177.722 174.990 0.002 0.000 1.237 196 C CA 0.690 59.711 59.018 0.005 0.000 1.726 196 C CB -1.146 26.645 27.740 0.085 0.000 2.068 196 C HN 0.541 nan 8.230 nan 0.000 0.466 197 L N 0.683 121.908 121.223 0.003 0.000 1.997 197 L HA -0.228 4.112 4.340 -0.000 0.000 0.216 197 L C 2.559 179.416 176.870 -0.022 0.000 1.074 197 L CA 1.591 56.431 54.840 -0.000 0.000 0.763 197 L CB -1.091 40.971 42.059 0.005 0.000 0.890 197 L HN 0.251 nan 8.230 nan 0.000 0.434 198 V N -0.472 119.417 119.914 -0.042 0.000 2.255 198 V HA -0.351 3.769 4.120 -0.000 0.000 0.247 198 V C 2.525 178.581 176.094 -0.063 0.000 1.051 198 V CA 2.233 64.484 62.300 -0.081 0.000 1.018 198 V CB -0.468 31.294 31.823 -0.102 0.000 0.641 198 V HN 0.388 nan 8.190 nan 0.000 0.445 199 M N -0.606 118.970 119.600 -0.040 0.000 2.108 199 M HA -0.269 4.211 4.480 -0.000 0.000 0.257 199 M C 2.248 178.550 176.300 0.003 0.000 1.071 199 M CA 2.047 57.341 55.300 -0.010 0.000 1.093 199 M CB -0.591 32.009 32.600 -0.000 0.000 1.345 199 M HN 0.425 nan 8.290 nan 0.000 0.403 200 E N -0.058 120.143 120.200 0.001 0.000 2.072 200 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 200 E C 1.979 178.576 176.600 -0.005 0.000 0.985 200 E CA 1.202 57.604 56.400 0.005 0.000 0.801 200 E CB -0.259 29.446 29.700 0.008 0.000 0.750 200 E HN 0.648 nan 8.360 nan 0.000 0.452 201 Q N -0.054 119.734 119.800 -0.020 0.000 2.234 201 Q HA -0.061 4.279 4.340 -0.000 0.000 0.206 201 Q C 1.520 177.499 176.000 -0.034 0.000 0.980 201 Q CA 0.935 56.720 55.803 -0.029 0.000 0.869 201 Q CB -0.039 28.664 28.738 -0.057 0.000 0.912 201 Q HN 0.276 nan 8.270 nan 0.000 0.436 202 M N -0.854 118.726 119.600 -0.034 0.000 2.551 202 M HA 0.170 4.650 4.480 -0.000 0.000 0.252 202 M C 0.597 176.899 176.300 0.003 0.000 1.219 202 M CA 0.368 55.654 55.300 -0.025 0.000 0.978 202 M CB 0.710 33.297 32.600 -0.023 0.000 1.533 202 M HN 0.443 nan 8.290 nan 0.000 0.474 203 G N 0.481 109.285 108.800 0.007 0.000 2.268 203 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.240 203 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.240 203 G C 0.013 174.921 174.900 0.013 0.000 1.010 203 G CA -0.335 44.774 45.100 0.014 0.000 0.618 203 G HN 0.338 nan 8.290 nan 0.000 0.516 204 L N 0.574 121.811 121.223 0.023 0.000 2.472 204 L HA 0.585 4.925 4.340 -0.000 0.000 0.260 204 L C 0.792 177.672 176.870 0.017 0.000 1.209 204 L CA -0.074 54.785 54.840 0.030 0.000 0.817 204 L CB 1.328 43.430 42.059 0.072 0.000 1.106 204 L HN 0.035 nan 8.230 nan 0.000 0.479 205 V N 2.163 122.081 119.914 0.007 0.000 2.407 205 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 205 V C -0.484 175.625 176.094 0.023 0.000 1.018 205 V CA -0.759 61.541 62.300 -0.002 0.000 0.842 205 V CB 1.826 33.625 31.823 -0.041 0.000 0.996 205 V HN 0.400 nan 8.190 nan 0.000 0.426 206 V N 5.029 124.966 119.914 0.038 0.000 2.432 206 V HA 0.275 4.395 4.120 -0.000 0.000 0.271 206 V C 0.997 177.118 176.094 0.046 0.000 1.046 206 V CA -0.076 62.261 62.300 0.062 0.000 0.945 206 V CB 1.195 33.062 31.823 0.074 0.000 0.992 206 V HN 0.958 nan 8.190 nan 0.000 0.471 207 E N 3.083 123.315 120.200 0.054 0.000 2.276 207 E HA 0.458 4.808 4.350 -0.000 0.000 0.193 207 E C 0.544 177.160 176.600 0.026 0.000 0.983 207 E CA 0.838 57.261 56.400 0.039 0.000 0.861 207 E CB 0.741 30.471 29.700 0.049 0.000 0.817 207 E HN 0.868 nan 8.360 nan 0.000 0.485 208 A N 0.493 123.342 122.820 0.049 0.000 2.441 208 A HA 0.429 4.749 4.320 -0.000 0.000 0.295 208 A C -1.860 175.792 177.584 0.114 0.000 0.992 208 A CA -0.865 51.182 52.037 0.017 0.000 0.603 208 A CB 0.599 19.593 19.000 -0.011 0.000 1.385 208 A HN 0.313 nan 8.150 nan 0.000 0.470 209 H N 0.089 119.185 119.070 0.043 0.000 2.996 209 H HA 0.887 5.443 4.556 -0.000 0.000 0.368 209 H C -1.097 174.245 175.328 0.022 0.000 1.185 209 H CA -0.177 55.896 56.048 0.041 0.000 1.160 209 H CB 1.378 31.169 29.762 0.048 0.000 1.820 209 H HN 1.123 nan 8.280 nan 0.000 0.547 210 H N 2.422 121.670 119.070 0.298 0.000 3.029 210 H HA 0.280 4.836 4.556 -0.000 0.000 0.358 210 H C -1.165 174.188 175.328 0.042 0.000 1.129 210 H CA -0.629 55.442 56.048 0.039 0.000 1.230 210 H CB 1.425 31.110 29.762 -0.128 0.000 1.827 210 H HN 1.022 nan 8.280 nan 0.000 0.530 211 H N 2.336 121.220 119.070 -0.310 0.000 2.505 211 H HA 0.612 5.168 4.556 -0.000 0.000 0.358 211 H C -0.382 174.414 175.328 -0.886 0.000 1.304 211 H CA -0.658 55.027 56.048 -0.606 0.000 1.393 211 H CB 1.305 30.876 29.762 -0.318 0.000 1.591 211 H HN 0.642 nan 8.280 nan 0.000 0.595 212 E N -1.294 118.033 120.200 -1.455 0.000 2.693 212 E HA -0.030 4.320 4.350 -0.000 0.000 0.293 212 E C -0.093 176.452 176.600 -0.091 0.000 1.208 212 E CA -0.237 55.708 56.400 -0.759 0.000 0.988 212 E CB 0.501 30.090 29.700 -0.185 0.000 1.101 212 E HN 0.357 nan 8.360 nan 0.000 0.442 213 V N -0.642 119.451 119.914 0.298 0.000 2.547 213 V HA -0.460 3.660 4.120 -0.000 0.000 0.181 213 V C 1.285 177.547 176.094 0.279 0.000 1.064 213 V CA 2.655 65.160 62.300 0.342 0.000 1.227 213 V CB -1.600 30.329 31.823 0.178 0.000 1.149 213 V HN 0.965 nan 8.190 nan 0.000 0.486 214 A N 0.042 122.990 122.820 0.213 0.000 2.445 214 A HA 0.416 4.736 4.320 -0.000 0.000 0.242 214 A C 0.642 178.397 177.584 0.286 0.000 1.075 214 A CA 1.089 53.287 52.037 0.269 0.000 0.777 214 A CB 0.321 19.573 19.000 0.419 0.000 1.013 214 A HN 0.614 nan 8.150 nan 0.000 0.493 215 T N 0.714 115.423 114.554 0.258 0.000 2.667 215 T HA 0.401 4.751 4.350 -0.000 0.000 0.305 215 T C 0.960 175.838 174.700 0.298 0.000 1.022 215 T CA 1.202 63.413 62.100 0.185 0.000 0.995 215 T CB 0.033 68.959 68.868 0.097 0.000 1.026 215 T HN 2.404 nan 8.240 nan 0.000 0.527 216 A N 0.039 122.952 122.820 0.155 0.000 2.800 216 A HA 0.131 4.451 4.320 -0.000 0.000 0.292 216 A C 1.388 179.243 177.584 0.452 0.000 1.474 216 A CA 1.252 53.456 52.037 0.278 0.000 0.744 216 A CB -2.306 16.971 19.000 0.460 0.000 1.044 216 A HN 2.621 nan 8.150 nan 0.000 0.489 217 G N -1.578 107.369 108.800 0.245 0.000 2.221 217 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.265 217 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.265 217 G C -0.025 174.856 174.900 -0.031 0.000 1.041 217 G CA 1.126 46.296 45.100 0.116 0.000 0.807 217 G HN 1.907 nan 8.290 nan 0.000 0.502 218 Q N -0.300 119.422 119.800 -0.131 0.000 2.313 218 Q HA 0.494 4.834 4.340 -0.000 0.000 0.266 218 Q C 0.230 175.887 176.000 -0.571 0.000 0.989 218 Q CA 0.058 55.418 55.803 -0.737 0.000 0.890 218 Q CB 0.288 28.455 28.738 -0.951 0.000 1.200 218 Q HN 0.564 nan 8.270 nan 0.000 0.396 219 N N 2.262 120.425 118.700 -0.895 0.000 2.525 219 N HA 0.426 5.166 4.740 -0.000 0.000 0.270 219 N C -1.898 172.833 175.510 -1.298 0.000 1.321 219 N CA -0.780 51.709 53.050 -0.935 0.000 0.797 219 N CB 1.965 39.975 38.487 -0.796 0.000 1.529 219 N HN 0.561 nan 8.380 nan 0.000 0.491 220 E N 0.363 120.020 120.200 -0.906 0.000 2.343 220 E HA 0.564 4.914 4.350 -0.000 0.000 0.278 220 E C -1.899 174.535 176.600 -0.276 0.000 0.910 220 E CA -0.644 55.397 56.400 -0.598 0.000 0.757 220 E CB 1.907 31.282 29.700 -0.542 0.000 1.218 220 E HN 0.256 nan 8.360 nan 0.000 0.435 221 V N 2.447 122.441 119.914 0.133 0.000 2.443 221 V HA 0.561 4.681 4.120 -0.000 0.000 0.293 221 V C -0.279 175.991 176.094 0.292 0.000 1.021 221 V CA -0.611 61.834 62.300 0.242 0.000 0.848 221 V CB 1.265 33.253 31.823 0.275 0.000 0.998 221 V HN 0.762 nan 8.190 nan 0.000 0.424 222 A N 4.110 127.039 122.820 0.182 0.000 2.320 222 A HA 0.761 5.081 4.320 -0.000 0.000 0.287 222 A C 0.455 178.115 177.584 0.127 0.000 1.181 222 A CA -0.192 51.920 52.037 0.126 0.000 0.831 222 A CB 0.314 19.375 19.000 0.102 0.000 1.102 222 A HN 0.894 nan 8.150 nan 0.000 0.513 223 T N 0.443 115.054 114.554 0.096 0.000 2.887 223 T HA 0.616 4.966 4.350 -0.000 0.000 0.288 223 T C -0.055 174.672 174.700 0.045 0.000 1.021 223 T CA -0.871 61.280 62.100 0.085 0.000 1.000 223 T CB 1.269 70.209 68.868 0.119 0.000 1.034 223 T HN 0.759 nan 8.240 nan 0.000 0.467 224 R N 1.445 121.955 120.500 0.017 0.000 2.590 224 R HA 0.373 4.713 4.340 -0.000 0.000 0.274 224 R C 0.289 176.536 176.300 -0.087 0.000 1.061 224 R CA -0.744 55.342 56.100 -0.024 0.000 1.081 224 R CB 0.077 30.299 30.300 -0.129 0.000 0.984 224 R HN 0.690 nan 8.270 nan 0.000 0.448 225 F N 2.267 122.221 119.950 0.006 0.000 2.587 225 F HA 0.278 4.805 4.527 -0.000 0.000 0.319 225 F C -0.006 175.812 175.800 0.030 0.000 1.253 225 F CA -0.566 57.441 58.000 0.011 0.000 1.345 225 F CB 0.203 39.198 39.000 -0.007 0.000 1.172 225 F HN 0.534 nan 8.300 nan 0.000 0.588 226 N N -1.833 116.950 118.700 0.139 0.000 3.355 226 N HA 0.141 4.881 4.740 -0.000 0.000 0.238 226 N C -1.590 174.058 175.510 0.229 0.000 1.466 226 N CA 0.002 53.086 53.050 0.057 0.000 0.882 226 N CB 1.226 39.696 38.487 -0.030 0.000 1.406 226 N HN 1.032 nan 8.380 nan 0.000 0.500 227 T N -0.327 114.330 114.554 0.172 0.000 2.905 227 T HA 0.020 4.370 4.350 -0.000 0.000 0.299 227 T C 1.950 176.772 174.700 0.204 0.000 1.024 227 T CA 0.371 62.583 62.100 0.186 0.000 1.151 227 T CB 0.033 68.982 68.868 0.134 0.000 0.987 227 T HN 0.590 nan 8.240 nan 0.000 0.535 228 M N 3.008 122.763 119.600 0.259 0.000 2.270 228 M HA -0.258 4.222 4.480 -0.000 0.000 0.254 228 M C 2.059 178.455 176.300 0.160 0.000 1.072 228 M CA 2.854 58.257 55.300 0.172 0.000 1.077 228 M CB -1.051 31.641 32.600 0.154 0.000 1.288 228 M HN 0.884 nan 8.290 nan 0.000 0.424 229 T N -0.289 114.366 114.554 0.169 0.000 2.737 229 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 229 T C 1.667 176.483 174.700 0.194 0.000 1.038 229 T CA 1.772 63.991 62.100 0.199 0.000 1.144 229 T CB -0.241 68.725 68.868 0.163 0.000 0.866 229 T HN 0.408 nan 8.240 nan 0.000 0.434 230 K N 0.789 121.278 120.400 0.147 0.000 2.147 230 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 230 K C 2.252 178.917 176.600 0.109 0.000 1.049 230 K CA 1.122 57.480 56.287 0.118 0.000 0.936 230 K CB 0.001 32.553 32.500 0.086 0.000 0.722 230 K HN -0.035 nan 8.250 nan 0.000 0.446 231 K N 0.529 121.011 120.400 0.137 0.000 2.025 231 K HA 0.005 4.325 4.320 -0.000 0.000 0.207 231 K C 1.719 178.397 176.600 0.129 0.000 1.049 231 K CA 1.572 57.953 56.287 0.156 0.000 0.933 231 K CB -0.551 32.079 32.500 0.217 0.000 0.714 231 K HN 0.196 nan 8.250 nan 0.000 0.438 232 A N 0.829 123.685 122.820 0.061 0.000 2.024 232 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 232 A C 1.671 178.989 177.584 -0.445 0.000 1.164 232 A CA 2.031 53.775 52.037 -0.488 0.000 0.643 232 A CB -0.625 17.731 19.000 -1.073 0.000 0.806 232 A HN 0.378 nan 8.150 nan 0.000 0.451 233 D N -0.056 120.296 120.400 -0.081 0.000 2.078 233 D HA -0.126 4.513 4.640 -0.000 0.000 0.193 233 D C 1.946 178.249 176.300 0.005 0.000 0.990 233 D CA 1.476 55.510 54.000 0.056 0.000 0.827 233 D CB -0.490 40.386 40.800 0.125 0.000 0.975 233 D HN 0.607 nan 8.370 nan 0.000 0.451 234 E N 0.175 120.389 120.200 0.023 0.000 2.171 234 E HA -0.175 4.174 4.350 -0.000 0.000 0.197 234 E C 2.087 178.711 176.600 0.040 0.000 0.997 234 E CA 0.417 56.843 56.400 0.044 0.000 0.810 234 E CB 0.029 29.761 29.700 0.053 0.000 0.738 234 E HN 0.255 nan 8.360 nan 0.000 0.467 235 I N 1.458 121.999 120.570 -0.047 0.000 2.179 235 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 235 I C 2.428 178.499 176.117 -0.076 0.000 1.088 235 I CA 1.373 62.606 61.300 -0.112 0.000 1.357 235 I CB -1.117 36.740 38.000 -0.238 0.000 1.051 235 I HN 0.148 nan 8.210 nan 0.000 0.409 236 Q N 0.258 119.996 119.800 -0.103 0.000 2.096 236 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 236 Q C 2.392 178.417 176.000 0.043 0.000 0.982 236 Q CA 1.480 57.252 55.803 -0.051 0.000 0.850 236 Q CB -0.382 28.335 28.738 -0.035 0.000 0.901 236 Q HN 0.523 nan 8.270 nan 0.000 0.422 237 I N -0.226 120.383 120.570 0.066 0.000 2.179 237 I HA -0.305 3.864 4.170 -0.000 0.000 0.242 237 I C 2.322 178.549 176.117 0.183 0.000 1.088 237 I CA 1.189 62.563 61.300 0.124 0.000 1.357 237 I CB -0.445 37.609 38.000 0.091 0.000 1.051 237 I HN 0.122 nan 8.210 nan 0.000 0.409 238 Y N 2.209 122.517 120.300 0.014 0.000 2.014 238 Y HA -0.393 4.157 4.550 -0.000 0.000 0.272 238 Y C 2.566 178.453 175.900 -0.022 0.000 1.164 238 Y CA 2.033 60.130 58.100 -0.004 0.000 1.114 238 Y CB -0.215 38.225 38.460 -0.033 0.000 0.961 238 Y HN -0.024 nan 8.280 nan 0.000 0.489 239 K N -1.222 119.253 120.400 0.124 0.000 2.103 239 K HA -0.268 4.052 4.320 -0.000 0.000 0.207 239 K C 1.955 178.622 176.600 0.111 0.000 1.048 239 K CA 1.803 58.051 56.287 -0.066 0.000 0.930 239 K CB -0.625 31.676 32.500 -0.331 0.000 0.716 239 K HN 0.434 nan 8.250 nan 0.000 0.444 240 Y N 1.621 121.941 120.300 0.034 0.000 2.089 240 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 240 Y C 2.091 178.009 175.900 0.031 0.000 1.139 240 Y CA 1.176 59.311 58.100 0.058 0.000 1.123 240 Y CB -0.576 37.910 38.460 0.043 0.000 0.980 240 Y HN -0.255 nan 8.280 nan 0.000 0.493 241 V N -0.612 119.347 119.914 0.074 0.000 2.278 241 V HA -0.375 3.745 4.120 -0.000 0.000 0.251 241 V C 2.413 178.401 176.094 -0.177 0.000 1.062 241 V CA 1.889 64.215 62.300 0.044 0.000 1.038 241 V CB -1.167 30.672 31.823 0.027 0.000 0.646 241 V HN 0.374 nan 8.190 nan 0.000 0.447 242 V N -0.557 119.172 119.914 -0.308 0.000 2.220 242 V HA -0.344 3.776 4.120 -0.000 0.000 0.246 242 V C 2.239 178.092 176.094 -0.402 0.000 1.049 242 V CA 2.615 64.610 62.300 -0.509 0.000 1.003 242 V CB -0.921 30.435 31.823 -0.777 0.000 0.634 242 V HN 0.625 nan 8.190 nan 0.000 0.444 243 H N -0.120 118.792 119.070 -0.263 0.000 2.357 243 H HA -0.221 4.335 4.556 -0.000 0.000 0.296 243 H C 2.305 177.438 175.328 -0.325 0.000 1.108 243 H CA 2.262 58.171 56.048 -0.230 0.000 1.273 243 H CB -0.017 29.675 29.762 -0.116 0.000 1.367 243 H HN 0.474 nan 8.280 nan 0.000 0.498 244 N N -0.695 117.740 118.700 -0.442 0.000 2.207 244 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 244 N C 1.850 177.027 175.510 -0.554 0.000 1.020 244 N CA 0.753 53.330 53.050 -0.789 0.000 0.858 244 N CB 0.070 37.417 38.487 -1.900 0.000 0.991 244 N HN 0.011 nan 8.380 nan 0.000 0.427 245 V N 1.176 120.860 119.914 -0.382 0.000 2.343 245 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 245 V C 2.260 178.287 176.094 -0.112 0.000 1.051 245 V CA 1.908 64.150 62.300 -0.097 0.000 1.036 245 V CB -0.936 30.818 31.823 -0.116 0.000 0.654 245 V HN 0.357 nan 8.190 nan 0.000 0.451 246 A N -0.453 122.249 122.820 -0.197 0.000 1.865 246 A HA -0.349 3.971 4.320 -0.000 0.000 0.217 246 A C 2.085 179.673 177.584 0.005 0.000 1.191 246 A CA 2.572 54.528 52.037 -0.134 0.000 0.623 246 A CB -0.974 17.933 19.000 -0.154 0.000 0.826 246 A HN 0.765 nan 8.150 nan 0.000 0.444 247 H N -0.520 118.497 119.070 -0.088 0.000 2.289 247 H HA -0.082 4.474 4.556 -0.000 0.000 0.296 247 H C 2.209 177.543 175.328 0.010 0.000 1.091 247 H CA 2.128 58.144 56.048 -0.054 0.000 1.274 247 H CB -0.113 29.572 29.762 -0.129 0.000 1.364 247 H HN 0.354 nan 8.280 nan 0.000 0.490 248 R N -0.724 119.832 120.500 0.095 0.000 2.241 248 R HA -0.114 4.226 4.340 -0.000 0.000 0.224 248 R C 0.956 177.344 176.300 0.147 0.000 1.101 248 R CA 1.144 57.317 56.100 0.122 0.000 0.995 248 R CB -0.144 30.287 30.300 0.219 0.000 0.870 248 R HN 0.403 nan 8.270 nan 0.000 0.463 249 F N -0.414 119.483 119.950 -0.089 0.000 2.639 249 F HA 0.191 4.718 4.527 -0.000 0.000 0.300 249 F C 1.339 177.088 175.800 -0.085 0.000 1.109 249 F CA 0.002 57.960 58.000 -0.069 0.000 1.335 249 F CB 0.936 39.903 39.000 -0.055 0.000 1.014 249 F HN 0.138 nan 8.300 nan 0.000 0.537 250 G N 1.305 110.106 108.800 0.002 0.000 2.179 250 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 250 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 250 G C 0.240 175.139 174.900 -0.002 0.000 1.010 250 G CA 0.058 45.124 45.100 -0.058 0.000 0.736 250 G HN 0.356 nan 8.290 nan 0.000 0.513 251 K N -0.931 119.483 120.400 0.024 0.000 2.280 251 K HA 0.740 5.060 4.320 -0.000 0.000 0.234 251 K C -0.418 176.206 176.600 0.040 0.000 1.028 251 K CA -0.216 56.097 56.287 0.044 0.000 0.882 251 K CB 1.775 34.298 32.500 0.038 0.000 1.194 251 K HN 0.125 nan 8.250 nan 0.000 0.458 252 T N -0.085 114.514 114.554 0.076 0.000 2.949 252 T HA 0.567 4.917 4.350 -0.000 0.000 0.300 252 T C -1.430 173.306 174.700 0.060 0.000 0.988 252 T CA -0.550 61.617 62.100 0.110 0.000 0.993 252 T CB 0.955 69.928 68.868 0.176 0.000 0.984 252 T HN 0.597 nan 8.240 nan 0.000 0.442 253 A N 3.472 126.313 122.820 0.034 0.000 2.303 253 A HA 0.812 5.132 4.320 -0.000 0.000 0.317 253 A C 0.243 177.833 177.584 0.010 0.000 1.149 253 A CA -0.663 51.306 52.037 -0.114 0.000 0.822 253 A CB 1.399 20.170 19.000 -0.383 0.000 1.131 253 A HN 0.847 nan 8.150 nan 0.000 0.493 254 T N 0.623 115.111 114.554 -0.109 0.000 2.921 254 T HA 0.551 4.901 4.350 -0.000 0.000 0.297 254 T C -0.816 173.871 174.700 -0.021 0.000 1.013 254 T CA -0.290 61.862 62.100 0.086 0.000 0.990 254 T CB 0.254 69.267 68.868 0.242 0.000 1.023 254 T HN 0.362 nan 8.240 nan 0.000 0.447 255 F N 3.975 124.028 119.950 0.170 0.000 2.660 255 F HA 0.341 4.867 4.527 -0.000 0.000 0.302 255 F C 1.319 177.224 175.800 0.175 0.000 1.103 255 F CA -0.670 57.427 58.000 0.161 0.000 1.340 255 F CB 0.058 39.110 39.000 0.087 0.000 1.048 255 F HN 0.528 nan 8.300 nan 0.000 0.551 256 M N 1.506 121.294 119.600 0.313 0.000 2.239 256 M HA 0.204 4.684 4.480 -0.000 0.000 0.348 256 M C -1.676 174.766 176.300 0.237 0.000 1.239 256 M CA -1.377 54.059 55.300 0.227 0.000 1.114 256 M CB 0.526 33.220 32.600 0.156 0.000 1.641 256 M HN -0.222 nan 8.290 nan 0.000 0.453 257 P HA -0.152 nan 4.420 nan 0.000 0.216 257 P C 0.053 177.458 177.300 0.174 0.000 1.153 257 P CA 1.758 64.962 63.100 0.173 0.000 0.858 257 P CB 0.076 31.841 31.700 0.108 0.000 0.789 258 K N -0.382 120.094 120.400 0.126 0.000 2.827 258 K HA 0.255 4.575 4.320 -0.000 0.000 0.186 258 K C -1.999 174.626 176.600 0.042 0.000 1.093 258 K CA -2.311 54.030 56.287 0.090 0.000 0.993 258 K CB 0.615 33.151 32.500 0.059 0.000 1.199 258 K HN -0.112 nan 8.250 nan 0.000 0.598 259 P HA -0.120 nan 4.420 nan 0.000 0.213 259 P C 0.014 177.244 177.300 -0.117 0.000 1.170 259 P CA 1.035 64.085 63.100 -0.082 0.000 0.889 259 P CB 0.354 31.962 31.700 -0.155 0.000 0.782 260 M N -1.374 118.135 119.600 -0.152 0.000 2.363 260 M HA 0.268 4.748 4.480 -0.000 0.000 0.343 260 M C 1.241 177.536 176.300 -0.009 0.000 1.165 260 M CA -0.878 54.376 55.300 -0.076 0.000 1.046 260 M CB 1.715 34.275 32.600 -0.067 0.000 1.648 260 M HN -0.166 nan 8.290 nan 0.000 0.452 261 F N 1.890 121.798 119.950 -0.069 0.000 2.146 261 F HA 0.057 4.584 4.527 0.000 0.000 0.298 261 F C 1.656 177.400 175.800 -0.092 0.000 1.096 261 F CA 1.640 59.589 58.000 -0.084 0.000 1.275 261 F CB -0.457 38.517 39.000 -0.043 0.000 1.008 261 F HN 0.725 nan 8.300 nan 0.000 0.480 262 G N 0.932 109.434 108.800 -0.496 0.000 3.824 262 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.280 262 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.280 262 G C -0.269 174.359 174.900 -0.454 0.000 0.963 262 G CA 1.971 46.794 45.100 -0.461 0.000 0.865 262 G HN 0.605 nan 8.290 nan 0.000 1.379 263 D N -2.744 117.566 120.400 -0.150 0.000 2.946 263 D HA 0.342 4.982 4.640 -0.000 0.000 0.337 263 D C -0.324 176.131 176.300 0.258 0.000 1.332 263 D CA -0.432 53.686 54.000 0.197 0.000 0.935 263 D CB -0.244 40.709 40.800 0.254 0.000 1.440 263 D HN 0.398 nan 8.370 nan 0.000 0.540 264 N N 0.265 119.251 118.700 0.477 0.000 1.874 264 N HA -0.085 4.655 4.740 -0.000 0.000 0.333 264 N C 0.080 175.728 175.510 0.229 0.000 1.214 264 N CA 0.997 54.242 53.050 0.324 0.000 0.856 264 N CB -0.318 38.301 38.487 0.221 0.000 1.109 264 N HN 0.537 nan 8.380 nan 0.000 0.525 265 G N 2.152 111.070 108.800 0.197 0.000 2.508 265 G HA2 0.425 4.385 3.960 -0.000 0.000 0.278 265 G HA3 0.425 4.385 3.960 -0.000 0.000 0.278 265 G C -0.681 174.318 174.900 0.165 0.000 1.389 265 G CA -0.096 45.121 45.100 0.194 0.000 1.050 265 G HN 0.795 nan 8.290 nan 0.000 0.522 266 S N -1.296 114.524 115.700 0.200 0.000 2.442 266 S HA 0.741 5.210 4.470 -0.000 0.000 0.297 266 S C -0.015 174.662 174.600 0.129 0.000 1.131 266 S CA -0.126 58.141 58.200 0.113 0.000 1.092 266 S CB 1.498 64.800 63.200 0.169 0.000 0.998 266 S HN 1.213 nan 8.310 nan 0.000 0.478 267 G N 1.187 110.028 108.800 0.069 0.000 2.690 267 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 267 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 267 G C -1.407 173.480 174.900 -0.021 0.000 1.403 267 G CA -0.923 44.226 45.100 0.081 0.000 0.864 267 G HN 0.753 nan 8.290 nan 0.000 0.480 268 M N 2.284 121.909 119.600 0.043 0.000 2.182 268 M HA 0.337 4.817 4.480 -0.000 0.000 0.285 268 M C -0.595 175.756 176.300 0.086 0.000 0.956 268 M CA -0.533 54.770 55.300 0.005 0.000 0.878 268 M CB -0.118 32.513 32.600 0.051 0.000 1.373 268 M HN 0.718 nan 8.290 nan 0.000 0.393 269 H N 1.415 120.507 119.070 0.036 0.000 2.871 269 H HA 0.113 4.669 4.556 -0.000 0.000 0.355 269 H C -0.502 174.847 175.328 0.034 0.000 1.092 269 H CA -0.437 55.634 56.048 0.039 0.000 1.420 269 H CB 0.757 30.566 29.762 0.078 0.000 1.400 269 H HN 0.575 nan 8.280 nan 0.000 0.604 270 C N 3.867 123.269 119.300 0.171 0.000 2.321 270 C HA 0.175 4.635 4.460 -0.000 0.000 0.323 270 C C 0.136 175.181 174.990 0.093 0.000 1.191 270 C CA -0.640 58.433 59.018 0.092 0.000 1.455 270 C CB -0.752 27.016 27.740 0.048 0.000 2.083 270 C HN 0.830 nan 8.230 nan 0.000 0.442 271 H N 3.117 122.110 119.070 -0.129 0.000 2.580 271 H HA 0.511 5.067 4.556 -0.000 0.000 0.322 271 H C -0.136 174.955 175.328 -0.394 0.000 1.082 271 H CA 0.033 55.965 56.048 -0.192 0.000 1.383 271 H CB 0.987 30.674 29.762 -0.126 0.000 1.450 271 H HN 0.526 nan 8.280 nan 0.000 0.505 272 M N 1.474 120.838 119.600 -0.393 0.000 2.618 272 M HA 0.314 4.794 4.480 -0.000 0.000 0.281 272 M C -1.070 174.758 176.300 -0.786 0.000 1.267 272 M CA -0.640 54.247 55.300 -0.688 0.000 0.845 272 M CB 2.736 34.860 32.600 -0.793 0.000 1.732 272 M HN 0.684 nan 8.290 nan 0.000 0.461 273 S N 0.939 115.988 115.700 -1.084 0.000 2.586 273 S HA 0.677 5.147 4.470 -0.000 0.000 0.277 273 S C -1.865 171.973 174.600 -1.270 0.000 1.131 273 S CA -1.088 56.094 58.200 -1.698 0.000 0.848 273 S CB 0.925 63.545 63.200 -0.966 0.000 1.091 273 S HN 0.679 nan 8.310 nan 0.000 0.453 274 L N 1.503 121.918 121.223 -1.346 0.000 2.330 274 L HA 0.960 5.300 4.340 -0.000 0.000 0.271 274 L C 0.256 177.012 176.870 -0.191 0.000 1.013 274 L CA -0.699 53.886 54.840 -0.424 0.000 0.816 274 L CB 1.878 43.916 42.059 -0.034 0.000 1.287 274 L HN 1.108 nan 8.230 nan 0.000 0.435 275 A N 2.292 125.067 122.820 -0.076 0.000 2.527 275 A HA 0.823 5.143 4.320 -0.000 0.000 0.293 275 A C -1.234 176.363 177.584 0.021 0.000 1.117 275 A CA -0.622 51.399 52.037 -0.026 0.000 0.723 275 A CB 2.045 21.021 19.000 -0.040 0.000 1.313 275 A HN 0.619 nan 8.150 nan 0.000 0.411 276 K N 1.489 121.905 120.400 0.026 0.000 2.651 276 K HA 0.290 4.610 4.320 -0.000 0.000 0.259 276 K C -1.056 175.560 176.600 0.027 0.000 1.017 276 K CA -0.514 55.793 56.287 0.034 0.000 0.897 276 K CB 0.539 33.064 32.500 0.042 0.000 1.262 276 K HN 0.779 nan 8.250 nan 0.000 0.460 277 N N 2.878 121.594 118.700 0.026 0.000 2.671 277 N HA -0.205 4.535 4.740 -0.000 0.000 0.261 277 N C 0.504 176.026 175.510 0.020 0.000 1.053 277 N CA 1.411 54.474 53.050 0.022 0.000 0.732 277 N CB -1.166 37.333 38.487 0.020 0.000 0.887 277 N HN 1.139 nan 8.380 nan 0.000 0.546 278 G N -1.250 107.562 108.800 0.020 0.000 2.200 278 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.268 278 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.268 278 G C 0.255 175.160 174.900 0.010 0.000 0.986 278 G CA 1.294 46.405 45.100 0.018 0.000 0.677 278 G HN 0.630 nan 8.290 nan 0.000 0.532 279 T N 0.284 114.844 114.554 0.009 0.000 2.824 279 T HA 0.478 4.828 4.350 -0.000 0.000 0.280 279 T C -0.040 174.661 174.700 0.001 0.000 0.995 279 T CA -0.580 61.524 62.100 0.007 0.000 1.009 279 T CB 1.618 70.494 68.868 0.014 0.000 0.955 279 T HN 0.208 nan 8.240 nan 0.000 0.452 280 N N 2.745 121.441 118.700 -0.007 0.000 2.482 280 N HA 0.089 4.829 4.740 -0.000 0.000 0.242 280 N C 0.619 176.157 175.510 0.047 0.000 1.100 280 N CA -0.614 52.427 53.050 -0.015 0.000 0.946 280 N CB 0.211 38.669 38.487 -0.047 0.000 1.227 280 N HN 0.346 nan 8.380 nan 0.000 0.508 281 L N 2.968 124.246 121.223 0.090 0.000 2.551 281 L HA -0.038 4.302 4.340 -0.000 0.000 0.230 281 L C 1.151 178.178 176.870 0.262 0.000 1.163 281 L CA 0.941 55.879 54.840 0.163 0.000 0.826 281 L CB -0.678 41.497 42.059 0.193 0.000 0.943 281 L HN 0.494 nan 8.230 nan 0.000 0.452 282 F N -1.532 118.358 119.950 -0.100 0.000 2.765 282 F HA 0.178 4.704 4.527 -0.000 0.000 0.302 282 F C 1.513 177.255 175.800 -0.095 0.000 1.111 282 F CA -0.659 57.269 58.000 -0.120 0.000 1.359 282 F CB -0.487 38.404 39.000 -0.182 0.000 1.097 282 F HN 0.025 nan 8.300 nan 0.000 0.577 283 S N -0.781 114.964 115.700 0.075 0.000 2.578 283 S HA 0.842 5.311 4.470 -0.000 0.000 0.283 283 S C 0.111 174.706 174.600 -0.007 0.000 1.195 283 S CA 0.105 58.315 58.200 0.017 0.000 1.050 283 S CB 2.089 65.293 63.200 0.007 0.000 1.012 283 S HN 0.265 nan 8.310 nan 0.000 0.511 284 G N 1.368 110.156 108.800 -0.020 0.000 2.588 284 G HA2 0.455 4.415 3.960 -0.000 0.000 0.281 284 G HA3 0.455 4.415 3.960 -0.000 0.000 0.281 284 G C -1.415 173.471 174.900 -0.023 0.000 1.223 284 G CA -0.166 44.919 45.100 -0.025 0.000 0.871 284 G HN 0.691 nan 8.290 nan 0.000 0.492 285 D N -0.484 119.904 120.400 -0.021 0.000 2.469 285 D HA 0.227 4.867 4.640 -0.000 0.000 0.215 285 D C 0.796 177.090 176.300 -0.009 0.000 1.154 285 D CA -0.081 53.909 54.000 -0.017 0.000 0.832 285 D CB 0.688 41.480 40.800 -0.013 0.000 1.008 285 D HN 0.189 nan 8.370 nan 0.000 0.506 286 K N 0.144 120.542 120.400 -0.003 0.000 2.761 286 K HA 0.148 4.468 4.320 -0.000 0.000 0.286 286 K C -0.017 176.626 176.600 0.071 0.000 1.019 286 K CA -0.860 55.447 56.287 0.033 0.000 1.070 286 K CB -0.290 32.222 32.500 0.020 0.000 1.387 286 K HN 0.072 nan 8.250 nan 0.000 0.509 287 Y N 1.011 121.307 120.300 -0.006 0.000 2.996 287 Y HA -0.137 4.413 4.550 -0.000 0.000 0.347 287 Y C 0.906 176.803 175.900 -0.004 0.000 1.276 287 Y CA 1.426 59.530 58.100 0.007 0.000 1.601 287 Y CB -0.264 38.231 38.460 0.059 0.000 1.193 287 Y HN 0.753 nan 8.280 nan 0.000 0.582 288 A N 3.735 126.290 122.820 -0.441 0.000 2.790 288 A HA -0.179 4.140 4.320 -0.000 0.000 0.277 288 A C 1.698 179.215 177.584 -0.111 0.000 1.435 288 A CA 1.544 53.397 52.037 -0.306 0.000 0.877 288 A CB -2.256 16.593 19.000 -0.252 0.000 1.007 288 A HN 2.567 nan 8.150 nan 0.000 0.613 289 G N -3.082 105.673 108.800 -0.075 0.000 2.157 289 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.248 289 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.248 289 G C 0.101 174.986 174.900 -0.024 0.000 0.979 289 G CA 0.342 45.415 45.100 -0.045 0.000 0.650 289 G HN 1.332 nan 8.290 nan 0.000 0.529 290 L N 1.488 122.706 121.223 -0.009 0.000 2.436 290 L HA 0.557 4.897 4.340 -0.000 0.000 0.265 290 L C 1.505 178.335 176.870 -0.068 0.000 1.168 290 L CA 0.081 54.902 54.840 -0.031 0.000 0.815 290 L CB 1.223 43.270 42.059 -0.020 0.000 1.109 290 L HN 0.456 nan 8.230 nan 0.000 0.462 291 S N 0.028 115.656 115.700 -0.120 0.000 2.681 291 S HA 0.132 4.602 4.470 -0.000 0.000 0.270 291 S C 0.778 175.252 174.600 -0.209 0.000 1.209 291 S CA -0.532 57.591 58.200 -0.129 0.000 0.988 291 S CB 1.507 64.642 63.200 -0.108 0.000 1.006 291 S HN 0.743 nan 8.310 nan 0.000 0.558 292 E N 0.213 120.303 120.200 -0.183 0.000 2.051 292 E HA -0.250 4.099 4.350 -0.000 0.000 0.192 292 E C 2.050 178.420 176.600 -0.384 0.000 0.991 292 E CA 1.420 57.652 56.400 -0.281 0.000 0.799 292 E CB -0.318 29.291 29.700 -0.151 0.000 0.748 292 E HN 0.766 nan 8.360 nan 0.000 0.449 293 Q N 0.437 120.110 119.800 -0.211 0.000 2.047 293 Q HA -0.291 4.049 4.340 -0.000 0.000 0.211 293 Q C 1.999 177.756 176.000 -0.405 0.000 1.005 293 Q CA 2.726 58.432 55.803 -0.162 0.000 0.866 293 Q CB -0.549 28.114 28.738 -0.124 0.000 0.938 293 Q HN 0.398 nan 8.270 nan 0.000 0.414 294 A N -0.292 122.053 122.820 -0.792 0.000 1.892 294 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 294 A C 2.066 179.317 177.584 -0.554 0.000 1.188 294 A CA 1.889 53.252 52.037 -1.123 0.000 0.631 294 A CB -0.924 17.472 19.000 -1.007 0.000 0.822 294 A HN 0.452 nan 8.150 nan 0.000 0.447 295 L N -2.115 118.798 121.223 -0.516 0.000 2.191 295 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 295 L C 2.419 179.019 176.870 -0.449 0.000 1.103 295 L CA 1.115 55.619 54.840 -0.559 0.000 0.769 295 L CB -0.585 41.092 42.059 -0.636 0.000 0.908 295 L HN 0.430 nan 8.230 nan 0.000 0.438 296 Y N -1.983 118.169 120.300 -0.247 0.000 2.263 296 Y HA -0.230 4.320 4.550 -0.000 0.000 0.292 296 Y C 2.486 178.323 175.900 -0.105 0.000 1.130 296 Y CA 0.620 58.623 58.100 -0.162 0.000 1.179 296 Y CB -0.911 37.495 38.460 -0.089 0.000 0.998 296 Y HN 0.076 nan 8.280 nan 0.000 0.532 297 Y N 0.326 120.589 120.300 -0.063 0.000 2.097 297 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 297 Y C 2.361 178.222 175.900 -0.064 0.000 1.152 297 Y CA 1.807 59.892 58.100 -0.025 0.000 1.136 297 Y CB -0.551 37.888 38.460 -0.035 0.000 0.975 297 Y HN -0.011 nan 8.280 nan 0.000 0.498 298 I N -0.504 120.088 120.570 0.038 0.000 2.194 298 I HA -0.353 3.817 4.170 -0.000 0.000 0.246 298 I C 2.600 178.625 176.117 -0.153 0.000 1.093 298 I CA 1.588 62.828 61.300 -0.100 0.000 1.355 298 I CB -1.263 36.514 38.000 -0.372 0.000 1.046 298 I HN 0.409 nan 8.210 nan 0.000 0.413 299 G N 0.621 109.314 108.800 -0.180 0.000 2.418 299 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 299 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 299 G C 1.688 176.486 174.900 -0.169 0.000 1.158 299 G CA 0.873 45.880 45.100 -0.155 0.000 0.771 299 G HN 0.501 nan 8.290 nan 0.000 0.545 300 G N 0.531 109.235 108.800 -0.161 0.000 2.433 300 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 300 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 300 G C 1.808 176.558 174.900 -0.250 0.000 1.186 300 G CA 1.296 46.252 45.100 -0.239 0.000 0.779 300 G HN 0.304 nan 8.290 nan 0.000 0.543 301 V N 1.557 121.390 119.914 -0.134 0.000 2.282 301 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 301 V C 2.813 178.897 176.094 -0.016 0.000 1.057 301 V CA 1.779 64.073 62.300 -0.009 0.000 1.032 301 V CB -0.470 31.410 31.823 0.095 0.000 0.645 301 V HN 0.408 nan 8.190 nan 0.000 0.447 302 I N -0.302 120.230 120.570 -0.062 0.000 2.286 302 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 302 I C 2.568 178.591 176.117 -0.158 0.000 1.115 302 I CA 1.801 63.057 61.300 -0.073 0.000 1.392 302 I CB -0.489 37.471 38.000 -0.066 0.000 1.065 302 I HN 0.339 nan 8.210 nan 0.000 0.418 303 K N 0.540 120.764 120.400 -0.293 0.000 2.025 303 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 303 K C 1.841 178.173 176.600 -0.447 0.000 1.049 303 K CA 1.307 57.335 56.287 -0.431 0.000 0.933 303 K CB 0.013 32.109 32.500 -0.672 0.000 0.714 303 K HN 0.371 nan 8.250 nan 0.000 0.438 304 H N -0.139 118.764 119.070 -0.278 0.000 2.526 304 H HA 0.209 4.765 4.556 -0.000 0.000 0.274 304 H C 1.601 176.861 175.328 -0.115 0.000 0.999 304 H CA 0.496 56.344 56.048 -0.332 0.000 1.157 304 H CB 0.176 29.415 29.762 -0.871 0.000 1.407 304 H HN 0.318 nan 8.280 nan 0.000 0.568 305 A N 2.142 124.954 122.820 -0.013 0.000 1.873 305 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 305 A C 2.323 179.890 177.584 -0.029 0.000 1.269 305 A CA 2.275 54.284 52.037 -0.045 0.000 0.671 305 A CB -0.471 18.418 19.000 -0.185 0.000 0.842 305 A HN 0.360 nan 8.150 nan 0.000 0.460 306 K N -0.692 119.692 120.400 -0.027 0.000 2.113 306 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 306 K C 2.268 178.921 176.600 0.089 0.000 1.047 306 K CA 1.297 57.597 56.287 0.020 0.000 0.928 306 K CB -0.372 32.136 32.500 0.014 0.000 0.716 306 K HN 0.536 nan 8.250 nan 0.000 0.446 307 A N 1.462 124.355 122.820 0.121 0.000 1.872 307 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 307 A C 2.107 179.795 177.584 0.173 0.000 1.187 307 A CA 1.021 53.151 52.037 0.155 0.000 0.614 307 A CB -0.490 18.657 19.000 0.245 0.000 0.826 307 A HN 0.168 nan 8.150 nan 0.000 0.442 308 I N 0.248 120.961 120.570 0.238 0.000 2.264 308 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 308 I C 2.180 178.479 176.117 0.302 0.000 1.111 308 I CA 1.583 63.055 61.300 0.286 0.000 1.382 308 I CB -0.823 37.417 38.000 0.399 0.000 1.060 308 I HN 0.445 nan 8.210 nan 0.000 0.418 309 N N 1.169 120.033 118.700 0.274 0.000 2.037 309 N HA -0.246 4.494 4.740 -0.000 0.000 0.196 309 N C 2.015 177.703 175.510 0.296 0.000 1.034 309 N CA 1.483 54.714 53.050 0.301 0.000 0.861 309 N CB -0.269 38.362 38.487 0.241 0.000 1.039 309 N HN 0.379 nan 8.380 nan 0.000 0.427 310 A N 0.834 123.803 122.820 0.248 0.000 2.042 310 A HA -0.163 4.157 4.320 -0.000 0.000 0.222 310 A C 2.004 179.744 177.584 0.261 0.000 1.167 310 A CA 1.286 53.481 52.037 0.263 0.000 0.649 310 A CB -0.495 18.621 19.000 0.193 0.000 0.809 310 A HN 0.249 nan 8.150 nan 0.000 0.457 311 L N -2.417 118.898 121.223 0.153 0.000 2.286 311 L HA 0.109 4.449 4.340 -0.000 0.000 0.203 311 L C 2.589 179.574 176.870 0.193 0.000 1.068 311 L CA 0.944 55.851 54.840 0.111 0.000 0.811 311 L CB -0.431 41.629 42.059 0.002 0.000 0.989 311 L HN 0.368 nan 8.230 nan 0.000 0.467 312 A N -0.670 122.287 122.820 0.229 0.000 2.275 312 A HA 0.125 4.445 4.320 -0.000 0.000 0.212 312 A C 0.551 178.261 177.584 0.210 0.000 1.201 312 A CA 0.168 52.340 52.037 0.225 0.000 0.843 312 A CB -0.146 19.007 19.000 0.255 0.000 0.873 312 A HN 0.454 nan 8.150 nan 0.000 0.492 313 N N -0.204 118.617 118.700 0.202 0.000 2.679 313 N HA 0.111 4.851 4.740 -0.000 0.000 0.240 313 N C -2.821 172.776 175.510 0.145 0.000 1.537 313 N CA -0.525 52.573 53.050 0.081 0.000 0.793 313 N CB 1.107 39.576 38.487 -0.030 0.000 1.391 313 N HN 0.048 nan 8.380 nan 0.000 0.524 314 P HA -0.023 nan 4.420 nan 0.000 0.242 314 P C 0.383 177.789 177.300 0.177 0.000 1.197 314 P CA 1.001 64.240 63.100 0.232 0.000 0.765 314 P CB 0.036 31.876 31.700 0.234 0.000 0.936 315 T N -4.974 109.672 114.554 0.153 0.000 2.887 315 T HA 0.343 4.693 4.350 -0.000 0.000 0.288 315 T C 1.310 176.152 174.700 0.236 0.000 1.021 315 T CA -0.224 61.962 62.100 0.144 0.000 1.000 315 T CB 1.336 70.256 68.868 0.086 0.000 1.034 315 T HN -0.064 nan 8.240 nan 0.000 0.467 316 T N -0.040 114.650 114.554 0.226 0.000 2.759 316 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 316 T C 1.715 176.572 174.700 0.262 0.000 1.042 316 T CA 1.505 63.776 62.100 0.284 0.000 1.140 316 T CB -0.736 68.225 68.868 0.154 0.000 0.864 316 T HN 0.745 nan 8.240 nan 0.000 0.455 317 N N 0.877 119.663 118.700 0.145 0.000 2.166 317 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 317 N C 1.974 177.521 175.510 0.062 0.000 1.019 317 N CA 1.322 54.431 53.050 0.099 0.000 0.856 317 N CB -0.292 38.234 38.487 0.065 0.000 0.993 317 N HN 0.405 nan 8.380 nan 0.000 0.426 318 S N -0.153 115.535 115.700 -0.019 0.000 2.387 318 S HA -0.152 4.318 4.470 -0.000 0.000 0.230 318 S C 1.301 175.701 174.600 -0.333 0.000 1.035 318 S CA 1.164 59.236 58.200 -0.213 0.000 1.014 318 S CB -0.361 62.597 63.200 -0.404 0.000 0.836 318 S HN 0.493 nan 8.310 nan 0.000 0.466 319 Y N 0.611 120.973 120.300 0.103 0.000 2.583 319 Y HA 0.139 4.689 4.550 -0.000 0.000 0.293 319 Y C 2.086 178.036 175.900 0.082 0.000 1.157 319 Y CA 0.370 58.525 58.100 0.092 0.000 1.315 319 Y CB 0.021 38.527 38.460 0.076 0.000 1.021 319 Y HN 0.045 nan 8.280 nan 0.000 0.536 320 K N 0.129 120.622 120.400 0.156 0.000 2.365 320 K HA -0.018 4.302 4.320 -0.000 0.000 0.197 320 K C 2.071 178.713 176.600 0.070 0.000 1.042 320 K CA 0.357 56.714 56.287 0.116 0.000 0.987 320 K CB 0.123 32.685 32.500 0.103 0.000 0.779 320 K HN 0.193 nan 8.250 nan 0.000 0.484 321 R N 0.375 120.912 120.500 0.061 0.000 2.066 321 R HA 0.092 4.432 4.340 -0.000 0.000 0.224 321 R C 0.150 176.510 176.300 0.100 0.000 1.122 321 R CA 0.516 56.649 56.100 0.055 0.000 0.974 321 R CB -0.048 30.295 30.300 0.073 0.000 0.871 321 R HN 0.022 nan 8.270 nan 0.000 0.435 322 L N 3.937 125.228 121.223 0.114 0.000 2.449 322 L HA 0.127 4.466 4.340 -0.000 0.000 0.266 322 L C -0.685 176.283 176.870 0.164 0.000 1.321 322 L CA -0.380 54.553 54.840 0.156 0.000 1.194 322 L CB -0.066 42.090 42.059 0.162 0.000 1.384 322 L HN 0.145 nan 8.230 nan 0.000 0.438 323 V N -0.030 119.983 119.914 0.165 0.000 3.147 323 V HA 0.650 4.770 4.120 -0.000 0.000 0.306 323 V C -2.763 173.377 176.094 0.076 0.000 1.209 323 V CA -2.531 59.861 62.300 0.153 0.000 1.023 323 V CB 1.887 33.823 31.823 0.189 0.000 1.059 323 V HN 0.097 nan 8.190 nan 0.000 0.435 324 P HA 0.476 nan 4.420 nan 0.000 0.269 324 P C 0.952 177.764 177.300 -0.814 0.000 1.215 324 P CA 1.734 64.414 63.100 -0.700 0.000 0.780 324 P CB 0.977 32.456 31.700 -0.368 0.000 0.898 325 G N 0.665 108.570 108.800 -1.493 0.000 2.195 325 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.246 325 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.246 325 G C 0.069 174.513 174.900 -0.760 0.000 0.984 325 G CA -0.179 44.377 45.100 -0.908 0.000 0.633 325 G HN 0.521 nan 8.290 nan 0.000 0.525 326 Y N 0.764 120.975 120.300 -0.150 0.000 2.672 326 Y HA 0.463 5.013 4.550 -0.000 0.000 0.272 326 Y C 1.051 177.010 175.900 0.098 0.000 1.055 326 Y CA -0.194 57.907 58.100 0.001 0.000 1.151 326 Y CB -0.012 38.448 38.460 -0.001 0.000 1.190 326 Y HN 0.395 nan 8.280 nan 0.000 0.574 327 E N -0.767 119.590 120.200 0.262 0.000 2.883 327 E HA -0.245 4.105 4.350 -0.000 0.000 0.271 327 E C 0.072 176.852 176.600 0.299 0.000 1.049 327 E CA 0.606 57.181 56.400 0.290 0.000 0.817 327 E CB -1.385 28.449 29.700 0.223 0.000 1.407 327 E HN 0.427 nan 8.360 nan 0.000 0.434 328 A N 1.101 124.114 122.820 0.321 0.000 2.277 328 A HA 0.560 4.880 4.320 -0.000 0.000 0.318 328 A C -2.482 175.296 177.584 0.324 0.000 1.339 328 A CA -1.406 50.803 52.037 0.287 0.000 0.875 328 A CB 0.752 19.902 19.000 0.250 0.000 1.158 328 A HN -0.135 nan 8.150 nan 0.000 0.514 329 P HA 0.313 nan 4.420 nan 0.000 0.285 329 P C 0.823 178.265 177.300 0.237 0.000 1.259 329 P CA -0.337 62.922 63.100 0.265 0.000 0.794 329 P CB 1.482 33.281 31.700 0.165 0.000 0.940 330 V N -0.654 119.389 119.914 0.215 0.000 3.570 330 V HA 0.221 4.341 4.120 -0.000 0.000 0.257 330 V C 0.720 176.870 176.094 0.092 0.000 1.272 330 V CA 0.421 62.810 62.300 0.149 0.000 1.079 330 V CB -0.584 31.332 31.823 0.155 0.000 0.829 330 V HN 0.250 nan 8.190 nan 0.000 0.454 331 M N 2.240 121.898 119.600 0.098 0.000 2.227 331 M HA 0.299 4.779 4.480 -0.000 0.000 0.349 331 M C -0.349 175.982 176.300 0.052 0.000 1.443 331 M CA -0.478 54.857 55.300 0.057 0.000 1.110 331 M CB 0.547 33.170 32.600 0.039 0.000 1.773 331 M HN 0.157 nan 8.290 nan 0.000 0.463 332 L N 4.147 125.386 121.223 0.027 0.000 2.391 332 L HA 0.389 4.729 4.340 -0.000 0.000 0.249 332 L C 0.314 177.217 176.870 0.055 0.000 1.308 332 L CA -0.005 54.852 54.840 0.029 0.000 1.209 332 L CB -1.643 40.404 42.059 -0.020 0.000 1.401 332 L HN 0.812 nan 8.230 nan 0.000 0.416 333 A N 2.132 125.002 122.820 0.082 0.000 2.564 333 A HA 0.832 5.152 4.320 -0.000 0.000 0.288 333 A C -1.553 176.132 177.584 0.168 0.000 1.164 333 A CA -0.534 51.567 52.037 0.107 0.000 0.712 333 A CB 1.527 20.536 19.000 0.015 0.000 1.303 333 A HN 0.333 nan 8.150 nan 0.000 0.418 334 Y N -1.074 119.176 120.300 -0.084 0.000 2.536 334 Y HA 0.898 5.448 4.550 -0.000 0.000 0.347 334 Y C -0.267 175.553 175.900 -0.134 0.000 1.000 334 Y CA -1.267 56.777 58.100 -0.095 0.000 1.051 334 Y CB 1.531 39.921 38.460 -0.118 0.000 1.259 334 Y HN 1.270 nan 8.280 nan 0.000 0.468 335 S N 0.239 115.876 115.700 -0.104 0.000 2.622 335 S HA 0.622 5.092 4.470 -0.000 0.000 0.275 335 S C -0.518 174.148 174.600 0.109 0.000 1.112 335 S CA -0.123 58.020 58.200 -0.095 0.000 0.837 335 S CB 0.774 63.909 63.200 -0.109 0.000 1.082 335 S HN 1.525 nan 8.310 nan 0.000 0.456 336 A N 2.135 125.086 122.820 0.219 0.000 2.115 336 A HA 0.281 4.601 4.320 -0.000 0.000 0.211 336 A C 1.646 179.251 177.584 0.035 0.000 1.169 336 A CA 1.106 53.211 52.037 0.113 0.000 0.787 336 A CB -0.308 18.722 19.000 0.050 0.000 0.858 336 A HN 0.834 nan 8.150 nan 0.000 0.474 337 R N 1.114 121.635 120.500 0.035 0.000 1.981 337 R HA 0.089 4.429 4.340 -0.000 0.000 0.207 337 R C 0.578 176.864 176.300 -0.023 0.000 1.375 337 R CA 0.950 57.048 56.100 -0.003 0.000 1.068 337 R CB -1.169 29.128 30.300 -0.005 0.000 0.890 337 R HN 0.255 nan 8.270 nan 0.000 0.481 338 N N 0.883 119.561 118.700 -0.037 0.000 2.365 338 N HA -0.063 4.677 4.740 -0.000 0.000 0.265 338 N C -0.476 174.989 175.510 -0.074 0.000 1.288 338 N CA 0.367 53.377 53.050 -0.067 0.000 0.869 338 N CB 0.478 38.916 38.487 -0.082 0.000 1.071 338 N HN 0.391 nan 8.380 nan 0.000 0.480 339 R N 1.776 122.219 120.500 -0.096 0.000 2.586 339 R HA 0.174 4.514 4.340 -0.000 0.000 0.306 339 R C 0.411 176.614 176.300 -0.162 0.000 1.079 339 R CA -0.071 55.973 56.100 -0.093 0.000 1.083 339 R CB 0.248 30.513 30.300 -0.057 0.000 1.306 339 R HN 0.496 nan 8.270 nan 0.000 0.567 340 S N 0.155 115.727 115.700 -0.215 0.000 2.524 340 S HA 0.147 4.617 4.470 -0.000 0.000 0.216 340 S C 0.852 175.387 174.600 -0.107 0.000 0.987 340 S CA -0.247 57.766 58.200 -0.312 0.000 0.909 340 S CB 0.692 63.691 63.200 -0.335 0.000 0.781 340 S HN 0.353 nan 8.310 nan 0.000 0.521 341 A N 2.112 124.894 122.820 -0.064 0.000 2.366 341 A HA 0.505 4.824 4.320 -0.000 0.000 0.272 341 A C 1.305 178.916 177.584 0.044 0.000 1.135 341 A CA -0.339 51.696 52.037 -0.003 0.000 0.804 341 A CB 0.330 19.320 19.000 -0.016 0.000 1.064 341 A HN 0.323 nan 8.150 nan 0.000 0.499 342 S N 1.954 117.716 115.700 0.103 0.000 2.453 342 S HA 0.011 4.480 4.470 -0.000 0.000 0.231 342 S C 0.372 175.068 174.600 0.160 0.000 1.005 342 S CA 0.735 59.041 58.200 0.178 0.000 0.949 342 S CB -0.510 62.867 63.200 0.297 0.000 0.774 342 S HN 0.514 nan 8.310 nan 0.000 0.510 343 I N 1.535 122.189 120.570 0.139 0.000 2.378 343 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 343 I C 0.214 176.381 176.117 0.084 0.000 0.992 343 I CA -0.368 61.002 61.300 0.116 0.000 1.154 343 I CB 1.483 39.570 38.000 0.146 0.000 1.315 343 I HN 0.017 nan 8.210 nan 0.000 0.448 344 R N 5.823 126.343 120.500 0.034 0.000 2.670 344 R HA 0.641 4.981 4.340 -0.000 0.000 0.289 344 R C -1.254 175.052 176.300 0.010 0.000 0.965 344 R CA -0.879 55.234 56.100 0.020 0.000 0.899 344 R CB 1.748 32.039 30.300 -0.016 0.000 1.173 344 R HN 0.430 nan 8.270 nan 0.000 0.456 345 I N 5.581 126.182 120.570 0.053 0.000 2.330 345 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 345 I C -2.053 174.061 176.117 -0.004 0.000 1.025 345 I CA -2.851 58.477 61.300 0.046 0.000 1.197 345 I CB 1.004 39.105 38.000 0.169 0.000 1.358 345 I HN 0.318 nan 8.210 nan 0.000 0.467 346 P HA 0.113 nan 4.420 nan 0.000 0.271 346 P C -0.273 177.001 177.300 -0.044 0.000 1.220 346 P CA -0.053 63.010 63.100 -0.062 0.000 0.768 346 P CB 1.234 32.867 31.700 -0.113 0.000 0.848 347 V N 4.917 124.809 119.914 -0.035 0.000 2.546 347 V HA 0.373 4.493 4.120 -0.000 0.000 0.284 347 V C 0.701 176.774 176.094 -0.036 0.000 1.050 347 V CA -0.189 62.085 62.300 -0.044 0.000 0.981 347 V CB 1.431 33.224 31.823 -0.050 0.000 0.990 347 V HN 0.503 nan 8.190 nan 0.000 0.474 348 V N 3.849 123.739 119.914 -0.039 0.000 2.924 348 V HA 0.688 4.808 4.120 -0.000 0.000 0.300 348 V C 0.720 176.795 176.094 -0.031 0.000 1.227 348 V CA 0.168 62.449 62.300 -0.031 0.000 0.954 348 V CB 1.800 33.606 31.823 -0.028 0.000 1.055 348 V HN 1.007 nan 8.190 nan 0.000 0.429 349 A N 4.738 127.543 122.820 -0.025 0.000 1.941 349 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 349 A C 1.566 179.136 177.584 -0.024 0.000 1.407 349 A CA 2.586 54.609 52.037 -0.023 0.000 0.766 349 A CB -1.347 17.643 19.000 -0.017 0.000 0.838 349 A HN 2.066 nan 8.150 nan 0.000 0.482 350 S N -0.395 115.292 115.700 -0.021 0.000 2.617 350 S HA 0.328 4.798 4.470 -0.000 0.000 0.255 350 S C -1.254 173.331 174.600 -0.026 0.000 1.318 350 S CA -0.253 57.934 58.200 -0.020 0.000 0.978 350 S CB 0.307 63.497 63.200 -0.016 0.000 0.961 350 S HN 0.463 nan 8.310 nan 0.000 0.582 351 P HA 0.160 nan 4.420 nan 0.000 0.238 351 P C 0.856 178.137 177.300 -0.031 0.000 1.183 351 P CA 0.318 63.404 63.100 -0.024 0.000 0.813 351 P CB 0.117 31.808 31.700 -0.016 0.000 0.944 352 K N 0.862 121.243 120.400 -0.031 0.000 2.218 352 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 352 K C 1.732 178.286 176.600 -0.076 0.000 1.046 352 K CA 1.396 57.658 56.287 -0.042 0.000 0.933 352 K CB -0.731 31.754 32.500 -0.025 0.000 0.728 352 K HN 0.141 nan 8.250 nan 0.000 0.454 353 A N 0.766 123.543 122.820 -0.072 0.000 2.465 353 A HA 0.128 4.448 4.320 -0.000 0.000 0.255 353 A C 0.545 178.065 177.584 -0.106 0.000 1.274 353 A CA -0.366 51.609 52.037 -0.103 0.000 0.920 353 A CB 0.058 19.019 19.000 -0.066 0.000 1.033 353 A HN 0.014 nan 8.150 nan 0.000 0.516 354 R N 1.579 122.031 120.500 -0.080 0.000 2.590 354 R HA 0.446 4.786 4.340 -0.000 0.000 0.274 354 R C 0.519 176.774 176.300 -0.075 0.000 1.061 354 R CA 0.672 56.740 56.100 -0.053 0.000 1.081 354 R CB 0.168 30.462 30.300 -0.009 0.000 0.984 354 R HN 0.726 nan 8.270 nan 0.000 0.448 355 R N 2.615 123.077 120.500 -0.063 0.000 2.944 355 R HA 0.425 4.765 4.340 -0.000 0.000 0.270 355 R C -1.181 175.080 176.300 -0.065 0.000 0.989 355 R CA -0.937 55.105 56.100 -0.096 0.000 0.853 355 R CB 0.386 30.523 30.300 -0.273 0.000 1.430 355 R HN 0.506 nan 8.270 nan 0.000 0.450 356 I N -2.446 118.056 120.570 -0.115 0.000 2.892 356 I HA 0.645 4.815 4.170 -0.000 0.000 0.306 356 I C -1.063 174.913 176.117 -0.235 0.000 1.078 356 I CA -0.855 60.380 61.300 -0.108 0.000 1.032 356 I CB 2.444 40.450 38.000 0.010 0.000 1.229 356 I HN 0.753 nan 8.210 nan 0.000 0.435 357 E N 3.764 123.847 120.200 -0.196 0.000 2.220 357 E HA 0.468 4.818 4.350 -0.000 0.000 0.256 357 E C -1.819 174.764 176.600 -0.027 0.000 0.881 357 E CA -0.731 55.581 56.400 -0.148 0.000 0.766 357 E CB 2.147 31.714 29.700 -0.222 0.000 1.187 357 E HN 0.614 nan 8.360 nan 0.000 0.419 358 V N 6.461 126.368 119.914 -0.012 0.000 2.334 358 V HA 0.206 4.326 4.120 -0.000 0.000 0.267 358 V C 1.364 177.393 176.094 -0.109 0.000 1.040 358 V CA -0.261 62.006 62.300 -0.055 0.000 0.866 358 V CB 0.847 32.596 31.823 -0.123 0.000 1.019 358 V HN 0.719 nan 8.190 nan 0.000 0.468 359 R N 4.144 124.608 120.500 -0.060 0.000 2.193 359 R HA -0.054 4.286 4.340 -0.000 0.000 0.213 359 R C 1.811 178.157 176.300 0.076 0.000 1.055 359 R CA 1.319 57.368 56.100 -0.084 0.000 0.995 359 R CB -0.052 30.100 30.300 -0.248 0.000 0.893 359 R HN 0.765 nan 8.270 nan 0.000 0.459 360 F N -0.203 119.826 119.950 0.132 0.000 2.407 360 F HA 0.360 4.887 4.527 -0.000 0.000 0.299 360 F C -1.539 174.356 175.800 0.158 0.000 1.097 360 F CA -1.242 56.845 58.000 0.144 0.000 1.422 360 F CB -1.635 37.440 39.000 0.124 0.000 1.067 360 F HN -0.153 nan 8.300 nan 0.000 0.539 361 P HA 0.041 nan 4.420 nan 0.000 0.265 361 P C -0.805 176.572 177.300 0.128 0.000 1.187 361 P CA 0.410 63.526 63.100 0.026 0.000 0.766 361 P CB 0.678 32.347 31.700 -0.052 0.000 0.820 362 D N 2.520 122.997 120.400 0.129 0.000 2.497 362 D HA 0.372 5.012 4.640 -0.000 0.000 0.243 362 D C -2.231 174.134 176.300 0.107 0.000 1.039 362 D CA -1.989 52.084 54.000 0.121 0.000 1.052 362 D CB -0.324 40.544 40.800 0.114 0.000 1.344 362 D HN -0.008 nan 8.370 nan 0.000 0.553 363 P HA -0.100 nan 4.420 nan 0.000 0.216 363 P C 1.226 178.563 177.300 0.060 0.000 1.150 363 P CA 2.242 65.410 63.100 0.113 0.000 0.837 363 P CB -0.151 31.724 31.700 0.291 0.000 0.786 364 A N -0.463 122.420 122.820 0.105 0.000 2.125 364 A HA 0.076 4.396 4.320 -0.000 0.000 0.219 364 A C 1.311 178.935 177.584 0.067 0.000 1.156 364 A CA 0.877 52.968 52.037 0.090 0.000 0.671 364 A CB -1.339 17.723 19.000 0.103 0.000 0.794 364 A HN 0.254 nan 8.150 nan 0.000 0.459 365 A N 0.658 123.515 122.820 0.063 0.000 2.498 365 A HA 0.302 4.622 4.320 -0.000 0.000 0.239 365 A C 0.504 178.087 177.584 -0.002 0.000 1.068 365 A CA -0.296 51.782 52.037 0.068 0.000 0.766 365 A CB -0.097 18.951 19.000 0.081 0.000 1.003 365 A HN 0.409 nan 8.150 nan 0.000 0.497 366 N N 3.024 121.752 118.700 0.045 0.000 2.405 366 N HA 0.124 4.864 4.740 -0.000 0.000 0.260 366 N C -1.832 173.558 175.510 -0.200 0.000 1.152 366 N CA -1.824 51.225 53.050 -0.002 0.000 0.948 366 N CB 0.821 39.402 38.487 0.157 0.000 1.111 366 N HN 0.195 nan 8.380 nan 0.000 0.485 367 P HA -0.214 nan 4.420 nan 0.000 0.214 367 P C 0.708 177.304 177.300 -1.174 0.000 1.172 367 P CA 1.873 64.307 63.100 -1.110 0.000 0.925 367 P CB -0.078 30.913 31.700 -1.181 0.000 0.793 368 Y N -0.859 119.129 120.300 -0.519 0.000 2.014 368 Y HA -0.238 4.312 4.550 -0.000 0.000 0.272 368 Y C 2.526 178.341 175.900 -0.141 0.000 1.164 368 Y CA 0.995 58.919 58.100 -0.294 0.000 1.114 368 Y CB -1.443 36.933 38.460 -0.140 0.000 0.961 368 Y HN -0.143 nan 8.280 nan 0.000 0.489 369 L N -1.002 120.296 121.223 0.125 0.000 2.012 369 L HA -0.298 4.042 4.340 -0.000 0.000 0.210 369 L C 2.797 179.760 176.870 0.156 0.000 1.073 369 L CA 1.492 56.445 54.840 0.189 0.000 0.748 369 L CB -1.106 41.046 42.059 0.155 0.000 0.891 369 L HN 0.508 nan 8.230 nan 0.000 0.431 370 C N 0.431 119.773 119.300 0.070 0.000 2.413 370 C HA -0.235 4.225 4.460 -0.000 0.000 0.277 370 C C 2.804 177.997 174.990 0.338 0.000 1.228 370 C CA 0.796 59.912 59.018 0.164 0.000 1.731 370 C CB -1.048 26.767 27.740 0.126 0.000 2.042 370 C HN 0.426 nan 8.230 nan 0.000 0.468 371 F N 1.298 121.225 119.950 -0.039 0.000 2.095 371 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 371 F C 2.778 178.601 175.800 0.038 0.000 1.104 371 F CA 0.969 58.834 58.000 -0.224 0.000 1.232 371 F CB -0.832 37.670 39.000 -0.830 0.000 0.987 371 F HN 0.362 nan 8.300 nan 0.000 0.475 372 A N 0.641 123.629 122.820 0.280 0.000 1.873 372 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 372 A C 2.374 180.138 177.584 0.301 0.000 1.193 372 A CA 2.144 54.355 52.037 0.291 0.000 0.629 372 A CB -1.351 17.837 19.000 0.313 0.000 0.826 372 A HN 0.369 nan 8.150 nan 0.000 0.447 373 A N -1.001 121.970 122.820 0.251 0.000 1.917 373 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 373 A C 2.066 179.837 177.584 0.312 0.000 1.182 373 A CA 1.922 54.060 52.037 0.168 0.000 0.633 373 A CB -0.567 18.489 19.000 0.094 0.000 0.819 373 A HN 0.424 nan 8.150 nan 0.000 0.448 374 L N -0.552 120.887 121.223 0.359 0.000 2.017 374 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 374 L C 2.462 179.517 176.870 0.309 0.000 1.073 374 L CA 1.533 56.594 54.840 0.368 0.000 0.745 374 L CB -1.042 41.312 42.059 0.492 0.000 0.894 374 L HN 0.476 nan 8.230 nan 0.000 0.432 375 L N -1.059 120.429 121.223 0.441 0.000 2.017 375 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 375 L C 2.420 179.422 176.870 0.220 0.000 1.073 375 L CA 1.770 56.855 54.840 0.408 0.000 0.745 375 L CB -0.343 42.004 42.059 0.479 0.000 0.894 375 L HN 0.284 nan 8.230 nan 0.000 0.432 376 M N -0.303 119.431 119.600 0.223 0.000 2.213 376 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 376 M C 2.369 178.854 176.300 0.308 0.000 1.062 376 M CA 1.601 57.016 55.300 0.191 0.000 1.105 376 M CB -1.471 31.160 32.600 0.052 0.000 1.385 376 M HN 0.370 nan 8.290 nan 0.000 0.417 377 A N 0.092 123.106 122.820 0.323 0.000 2.016 377 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 377 A C 2.419 179.953 177.584 -0.085 0.000 1.162 377 A CA 1.533 53.655 52.037 0.142 0.000 0.662 377 A CB -1.115 17.942 19.000 0.095 0.000 0.812 377 A HN 0.497 nan 8.150 nan 0.000 0.450 378 G N -0.068 108.496 108.800 -0.392 0.000 2.394 378 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.215 378 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.215 378 G C 1.517 176.235 174.900 -0.303 0.000 1.165 378 G CA 0.876 45.344 45.100 -1.053 0.000 0.784 378 G HN 0.404 nan 8.290 nan 0.000 0.535 379 L N 0.517 121.729 121.223 -0.018 0.000 2.046 379 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 379 L C 2.536 179.491 176.870 0.142 0.000 1.077 379 L CA 1.494 56.438 54.840 0.174 0.000 0.747 379 L CB -0.401 41.843 42.059 0.307 0.000 0.896 379 L HN 0.266 nan 8.230 nan 0.000 0.432 380 D N 0.300 120.783 120.400 0.138 0.000 2.218 380 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 380 D C 1.955 178.288 176.300 0.055 0.000 0.976 380 D CA 1.320 55.404 54.000 0.140 0.000 0.853 380 D CB 0.256 41.191 40.800 0.224 0.000 0.939 380 D HN 0.338 nan 8.370 nan 0.000 0.481 381 G N 0.642 109.445 108.800 0.004 0.000 2.448 381 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.218 381 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.218 381 G C 1.855 176.732 174.900 -0.037 0.000 1.135 381 G CA 0.064 45.142 45.100 -0.037 0.000 0.784 381 G HN 0.283 nan 8.290 nan 0.000 0.543 382 I N -0.003 120.577 120.570 0.016 0.000 2.235 382 I HA -0.051 4.119 4.170 -0.000 0.000 0.241 382 I C 2.772 178.813 176.117 -0.127 0.000 1.085 382 I CA 0.861 62.159 61.300 -0.003 0.000 1.378 382 I CB -0.108 37.974 38.000 0.137 0.000 1.076 382 I HN 0.054 nan 8.210 nan 0.000 0.415 383 K N 0.882 121.263 120.400 -0.031 0.000 2.001 383 K HA -0.190 4.130 4.320 -0.000 0.000 0.214 383 K C 1.282 177.822 176.600 -0.101 0.000 1.050 383 K CA 1.766 58.033 56.287 -0.034 0.000 0.934 383 K CB -0.397 32.125 32.500 0.036 0.000 0.718 383 K HN 0.429 nan 8.250 nan 0.000 0.443 384 N N 1.393 120.033 118.700 -0.099 0.000 2.421 384 N HA -0.009 4.731 4.740 -0.000 0.000 0.201 384 N C -0.831 174.537 175.510 -0.237 0.000 1.198 384 N CA -0.054 52.924 53.050 -0.120 0.000 0.838 384 N CB 0.283 38.738 38.487 -0.053 0.000 1.011 384 N HN 0.076 nan 8.380 nan 0.000 0.463 385 K N 1.198 121.299 120.400 -0.498 0.000 3.356 385 K HA -0.194 4.126 4.320 -0.000 0.000 0.270 385 K C -0.289 176.077 176.600 -0.389 0.000 0.901 385 K CA 0.736 56.400 56.287 -1.038 0.000 0.688 385 K CB -1.648 30.426 32.500 -0.711 0.000 1.460 385 K HN 0.487 nan 8.250 nan 0.000 0.458 386 I N 1.731 122.209 120.570 -0.152 0.000 2.421 386 I HA 0.008 4.178 4.170 -0.000 0.000 0.291 386 I C 1.320 177.572 176.117 0.224 0.000 1.089 386 I CA -0.132 61.195 61.300 0.045 0.000 1.354 386 I CB 0.128 38.102 38.000 -0.043 0.000 1.413 386 I HN 0.130 nan 8.210 nan 0.000 0.513 387 H N 9.588 128.743 119.070 0.142 0.000 2.767 387 H HA 0.156 4.712 4.556 -0.000 0.000 0.316 387 H C -1.433 173.894 175.328 -0.003 0.000 1.059 387 H CA -1.241 54.866 56.048 0.098 0.000 1.461 387 H CB 1.756 31.566 29.762 0.080 0.000 1.475 387 H HN 0.445 nan 8.280 nan 0.000 0.531 388 P HA 0.057 nan 4.420 nan 0.000 0.242 388 P C 0.721 178.039 177.300 0.029 0.000 1.197 388 P CA 0.806 63.755 63.100 -0.252 0.000 0.765 388 P CB 0.496 31.809 31.700 -0.644 0.000 0.936 389 G N 0.954 109.894 108.800 0.233 0.000 2.598 389 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 389 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 389 G C -0.723 174.341 174.900 0.273 0.000 1.302 389 G CA -0.530 44.742 45.100 0.287 0.000 0.903 389 G HN 0.233 nan 8.290 nan 0.000 0.575 390 E N 1.401 121.674 120.200 0.123 0.000 2.266 390 E HA 0.495 4.845 4.350 -0.000 0.000 0.277 390 E C -2.000 174.442 176.600 -0.263 0.000 1.018 390 E CA -1.553 54.834 56.400 -0.022 0.000 0.840 390 E CB 0.889 30.567 29.700 -0.037 0.000 1.082 390 E HN 0.277 nan 8.360 nan 0.000 0.395 391 P HA 0.077 nan 4.420 nan 0.000 0.269 391 P C -0.302 176.687 177.300 -0.517 0.000 1.209 391 P CA -0.009 62.418 63.100 -1.121 0.000 0.776 391 P CB 0.466 31.287 31.700 -1.467 0.000 0.876 392 M N 3.051 122.397 119.600 -0.423 0.000 2.108 392 M HA 0.109 4.589 4.480 -0.000 0.000 0.347 392 M C 0.205 176.411 176.300 -0.156 0.000 1.326 392 M CA 0.598 55.770 55.300 -0.213 0.000 1.126 392 M CB 0.022 32.531 32.600 -0.152 0.000 1.606 392 M HN 0.282 nan 8.290 nan 0.000 0.462 393 D N 1.569 121.906 120.400 -0.104 0.000 2.571 393 D HA 0.123 4.763 4.640 -0.000 0.000 0.239 393 D C 0.737 177.007 176.300 -0.050 0.000 1.267 393 D CA -0.044 53.922 54.000 -0.057 0.000 0.823 393 D CB 1.393 42.181 40.800 -0.020 0.000 1.056 393 D HN 0.362 nan 8.370 nan 0.000 0.494 394 K N 0.790 121.154 120.400 -0.060 0.000 2.894 394 K HA 0.276 4.596 4.320 -0.000 0.000 0.325 394 K C 0.257 176.824 176.600 -0.055 0.000 0.984 394 K CA -0.320 55.937 56.287 -0.050 0.000 1.266 394 K CB 0.262 32.735 32.500 -0.046 0.000 1.423 394 K HN -0.086 nan 8.250 nan 0.000 0.614 395 N N 0.177 118.847 118.700 -0.050 0.000 2.508 395 N HA 0.150 4.890 4.740 -0.000 0.000 0.285 395 N C 0.866 176.325 175.510 -0.084 0.000 1.144 395 N CA -0.274 52.743 53.050 -0.054 0.000 0.978 395 N CB 0.861 39.329 38.487 -0.031 0.000 1.180 395 N HN 0.342 nan 8.380 nan 0.000 0.484 396 L N -0.036 121.120 121.223 -0.113 0.000 1.877 396 L HA -0.070 4.270 4.340 -0.000 0.000 0.239 396 L C 0.855 177.578 176.870 -0.246 0.000 1.081 396 L CA 1.037 55.737 54.840 -0.235 0.000 0.878 396 L CB -0.692 41.241 42.059 -0.211 0.000 0.909 396 L HN 0.593 nan 8.230 nan 0.000 0.434 397 Y N -1.139 119.162 120.300 0.001 0.000 2.222 397 Y HA 0.071 4.621 4.550 -0.000 0.000 0.290 397 Y C 0.927 176.834 175.900 0.012 0.000 1.123 397 Y CA 0.865 58.971 58.100 0.009 0.000 1.120 397 Y CB 0.249 38.711 38.460 0.004 0.000 1.060 397 Y HN 0.404 nan 8.280 nan 0.000 0.508 398 D N -0.108 120.396 120.400 0.173 0.000 2.749 398 D HA 0.143 4.783 4.640 -0.000 0.000 0.338 398 D C 0.438 176.773 176.300 0.058 0.000 1.236 398 D CA 0.082 54.141 54.000 0.098 0.000 0.845 398 D CB 0.302 41.153 40.800 0.085 0.000 1.080 398 D HN 0.095 nan 8.370 nan 0.000 0.497 399 L N 0.654 121.903 121.223 0.043 0.000 2.500 399 L HA 0.368 4.708 4.340 -0.000 0.000 0.219 399 L C -1.119 175.761 176.870 0.017 0.000 1.057 399 L CA 0.368 55.222 54.840 0.023 0.000 0.854 399 L CB -0.955 41.110 42.059 0.010 0.000 1.078 399 L HN 0.034 nan 8.230 nan 0.000 0.480 400 P HA -0.113 nan 4.420 nan 0.000 0.213 400 P C -1.704 175.605 177.300 0.015 0.000 1.176 400 P CA 1.417 64.526 63.100 0.014 0.000 0.919 400 P CB -1.465 30.246 31.700 0.018 0.000 0.791 401 P HA -0.074 nan 4.420 nan 0.000 0.233 401 P C 0.634 177.942 177.300 0.013 0.000 1.576 401 P CA 0.719 63.830 63.100 0.018 0.000 0.962 401 P CB -1.153 30.560 31.700 0.022 0.000 1.859 402 E N 0.474 120.680 120.200 0.009 0.000 2.415 402 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 402 E C 0.815 177.417 176.600 0.004 0.000 1.007 402 E CA 0.613 57.017 56.400 0.006 0.000 0.890 402 E CB 0.299 30.001 29.700 0.003 0.000 0.891 402 E HN 0.356 nan 8.360 nan 0.000 0.496 403 E N 0.447 120.649 120.200 0.004 0.000 3.085 403 E HA 0.296 4.646 4.350 -0.000 0.000 0.179 403 E C -0.714 175.888 176.600 0.005 0.000 0.951 403 E CA 0.319 56.720 56.400 0.003 0.000 1.326 403 E CB 0.630 30.330 29.700 0.000 0.000 1.043 403 E HN 0.231 nan 8.360 nan 0.000 0.457 404 A N 2.319 125.144 122.820 0.008 0.000 2.046 404 A HA -0.205 4.115 4.320 -0.000 0.000 0.265 404 A C -0.015 177.575 177.584 0.010 0.000 1.343 404 A CA 0.802 52.845 52.037 0.011 0.000 0.749 404 A CB -0.934 18.073 19.000 0.010 0.000 1.171 404 A HN 0.190 nan 8.150 nan 0.000 0.316 405 K N 1.064 121.471 120.400 0.011 0.000 2.419 405 K HA 0.128 4.448 4.320 -0.000 0.000 0.282 405 K C 0.600 177.207 176.600 0.012 0.000 1.056 405 K CA 0.510 56.802 56.287 0.008 0.000 1.035 405 K CB 0.403 32.907 32.500 0.006 0.000 0.921 405 K HN 0.783 nan 8.250 nan 0.000 0.472 406 E N 3.284 123.489 120.200 0.009 0.000 3.012 406 E HA 0.152 4.502 4.350 -0.000 0.000 0.228 406 E C 0.540 177.144 176.600 0.006 0.000 1.184 406 E CA -0.393 56.012 56.400 0.009 0.000 1.407 406 E CB -0.752 28.952 29.700 0.007 0.000 1.438 406 E HN 0.504 nan 8.360 nan 0.000 0.435 407 I N -2.068 118.505 120.570 0.006 0.000 2.945 407 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 407 I C -1.724 174.395 176.117 0.002 0.000 1.093 407 I CA -2.513 58.789 61.300 0.003 0.000 1.336 407 I CB 0.129 38.130 38.000 0.002 0.000 1.435 407 I HN -0.043 nan 8.210 nan 0.000 0.593 408 P HA 0.005 nan 4.420 nan 0.000 0.264 408 P C -1.222 176.071 177.300 -0.012 0.000 1.179 408 P CA 0.384 63.476 63.100 -0.013 0.000 0.763 408 P CB 0.689 32.375 31.700 -0.023 0.000 0.806 409 Q N 0.234 120.022 119.800 -0.020 0.000 2.456 409 Q HA 0.409 4.749 4.340 -0.000 0.000 0.284 409 Q C -0.380 175.589 176.000 -0.052 0.000 1.061 409 Q CA -1.272 54.519 55.803 -0.020 0.000 0.799 409 Q CB 2.507 31.253 28.738 0.012 0.000 1.445 409 Q HN 0.399 nan 8.270 nan 0.000 0.411 410 V N -0.509 119.357 119.914 -0.081 0.000 3.287 410 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 410 V C 0.362 176.452 176.094 -0.007 0.000 1.103 410 V CA -0.487 61.735 62.300 -0.129 0.000 1.159 410 V CB 0.046 31.755 31.823 -0.190 0.000 1.036 410 V HN 0.866 nan 8.190 nan 0.000 0.487 411 A N 2.812 125.650 122.820 0.031 0.000 2.565 411 A HA 0.424 4.744 4.320 -0.000 0.000 0.237 411 A C 1.539 179.158 177.584 0.059 0.000 1.053 411 A CA 0.429 52.494 52.037 0.047 0.000 0.755 411 A CB -0.283 18.756 19.000 0.065 0.000 0.980 411 A HN 1.751 nan 8.150 nan 0.000 0.506 412 G N 1.075 109.855 108.800 -0.034 0.000 2.464 412 G HA2 0.248 4.208 3.960 -0.000 0.000 0.217 412 G HA3 0.248 4.208 3.960 -0.000 0.000 0.217 412 G C 0.806 175.594 174.900 -0.186 0.000 1.138 412 G CA 1.230 46.312 45.100 -0.029 0.000 0.793 412 G HN 1.375 nan 8.290 nan 0.000 0.539 413 S N -1.560 113.864 115.700 -0.460 0.000 2.851 413 S HA 0.548 5.018 4.470 -0.000 0.000 0.313 413 S C 0.534 174.426 174.600 -1.180 0.000 1.163 413 S CA -0.516 57.250 58.200 -0.723 0.000 0.850 413 S CB 1.321 64.343 63.200 -0.297 0.000 1.245 413 S HN 0.029 nan 8.310 nan 0.000 0.558 414 L N 1.002 121.790 121.223 -0.726 0.000 2.168 414 L HA 0.360 4.700 4.340 -0.000 0.000 0.203 414 L C 2.488 179.289 176.870 -0.116 0.000 1.078 414 L CA 1.798 56.456 54.840 -0.304 0.000 0.780 414 L CB -0.951 41.142 42.059 0.056 0.000 0.939 414 L HN 0.988 nan 8.230 nan 0.000 0.451 415 E N -0.293 119.844 120.200 -0.104 0.000 2.097 415 E HA -0.334 4.016 4.350 -0.000 0.000 0.196 415 E C 1.986 178.561 176.600 -0.043 0.000 1.000 415 E CA 1.769 58.143 56.400 -0.045 0.000 0.804 415 E CB -0.076 29.598 29.700 -0.044 0.000 0.740 415 E HN 0.672 nan 8.360 nan 0.000 0.454 416 E N -0.011 120.135 120.200 -0.090 0.000 2.005 416 E HA -0.235 4.114 4.350 -0.000 0.000 0.198 416 E C 2.024 178.610 176.600 -0.023 0.000 1.010 416 E CA 1.347 57.708 56.400 -0.064 0.000 0.825 416 E CB -0.322 29.317 29.700 -0.102 0.000 0.769 416 E HN 0.315 nan 8.360 nan 0.000 0.456 417 A N 0.988 123.792 122.820 -0.027 0.000 1.971 417 A HA -0.233 4.087 4.320 -0.000 0.000 0.222 417 A C 2.249 179.890 177.584 0.094 0.000 1.182 417 A CA 1.724 53.805 52.037 0.074 0.000 0.649 417 A CB -0.813 18.303 19.000 0.194 0.000 0.818 417 A HN 0.377 nan 8.150 nan 0.000 0.458 418 L N -0.379 120.894 121.223 0.083 0.000 1.993 418 L HA -0.190 4.150 4.340 -0.000 0.000 0.206 418 L C 2.717 179.628 176.870 0.069 0.000 1.074 418 L CA 1.593 56.494 54.840 0.102 0.000 0.746 418 L CB -0.763 41.355 42.059 0.097 0.000 0.896 418 L HN 0.675 nan 8.230 nan 0.000 0.435 419 N N 0.824 119.550 118.700 0.044 0.000 2.132 419 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 419 N C 1.723 177.254 175.510 0.036 0.000 1.015 419 N CA 1.739 54.809 53.050 0.033 0.000 0.864 419 N CB 0.108 38.605 38.487 0.018 0.000 1.006 419 N HN 0.341 nan 8.380 nan 0.000 0.430 420 A N 1.560 124.404 122.820 0.041 0.000 1.877 420 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 420 A C 2.308 179.931 177.584 0.064 0.000 1.186 420 A CA 1.280 53.347 52.037 0.050 0.000 0.620 420 A CB -0.894 18.138 19.000 0.052 0.000 0.822 420 A HN 0.398 nan 8.150 nan 0.000 0.443 421 L N 0.143 121.403 121.223 0.061 0.000 2.191 421 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 421 L C 1.880 178.756 176.870 0.010 0.000 1.103 421 L CA 2.684 57.543 54.840 0.032 0.000 0.769 421 L CB -0.536 41.526 42.059 0.005 0.000 0.908 421 L HN 0.469 nan 8.230 nan 0.000 0.438 422 D N -0.332 120.085 120.400 0.029 0.000 2.088 422 D HA -0.220 4.420 4.640 -0.000 0.000 0.191 422 D C 2.021 178.333 176.300 0.020 0.000 0.992 422 D CA 2.335 56.349 54.000 0.024 0.000 0.831 422 D CB -0.237 40.583 40.800 0.032 0.000 0.973 422 D HN 0.428 nan 8.370 nan 0.000 0.447 423 L N 0.015 121.257 121.223 0.032 0.000 1.937 423 L HA -0.132 4.207 4.340 -0.000 0.000 0.213 423 L C 1.861 178.763 176.870 0.053 0.000 1.077 423 L CA 1.403 56.266 54.840 0.037 0.000 0.758 423 L CB -0.902 41.180 42.059 0.039 0.000 0.888 423 L HN 0.065 nan 8.230 nan 0.000 0.433 424 D N 0.525 120.976 120.400 0.085 0.000 2.489 424 D HA -0.108 4.531 4.640 -0.000 0.000 0.264 424 D C 1.790 178.190 176.300 0.165 0.000 1.294 424 D CA 0.121 54.212 54.000 0.151 0.000 0.938 424 D CB 0.006 40.922 40.800 0.194 0.000 0.985 424 D HN 0.287 nan 8.370 nan 0.000 0.492 425 R N -0.582 119.938 120.500 0.033 0.000 2.280 425 R HA -0.012 4.328 4.340 -0.000 0.000 0.207 425 R C 1.237 177.448 176.300 -0.148 0.000 1.043 425 R CA 0.342 56.378 56.100 -0.107 0.000 1.006 425 R CB -0.049 30.194 30.300 -0.096 0.000 0.885 425 R HN -0.016 nan 8.270 nan 0.000 0.467 426 E N 1.748 121.945 120.200 -0.005 0.000 2.058 426 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 426 E C 1.755 178.332 176.600 -0.039 0.000 0.997 426 E CA 1.738 58.138 56.400 -0.000 0.000 0.801 426 E CB -0.448 29.289 29.700 0.061 0.000 0.746 426 E HN 0.675 nan 8.360 nan 0.000 0.450 427 F N -0.417 119.408 119.950 -0.208 0.000 2.408 427 F HA -0.082 4.444 4.527 -0.000 0.000 0.300 427 F C 1.728 177.389 175.800 -0.232 0.000 1.090 427 F CA 0.386 58.239 58.000 -0.246 0.000 1.427 427 F CB -0.139 38.576 39.000 -0.474 0.000 1.070 427 F HN -0.073 nan 8.300 nan 0.000 0.549 428 L N 1.120 121.729 121.223 -1.023 0.000 2.209 428 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 428 L C 2.145 178.853 176.870 -0.270 0.000 1.094 428 L CA 1.185 55.533 54.840 -0.821 0.000 0.790 428 L CB -1.164 40.204 42.059 -1.151 0.000 0.932 428 L HN 0.156 nan 8.230 nan 0.000 0.447 429 K N 0.005 120.278 120.400 -0.211 0.000 2.365 429 K HA 0.096 4.416 4.320 -0.000 0.000 0.199 429 K C 1.006 177.561 176.600 -0.075 0.000 1.045 429 K CA 0.342 56.582 56.287 -0.079 0.000 0.962 429 K CB -0.141 32.325 32.500 -0.057 0.000 0.759 429 K HN 0.241 nan 8.250 nan 0.000 0.469 430 A N 0.910 123.659 122.820 -0.118 0.000 2.555 430 A HA 0.278 4.598 4.320 -0.000 0.000 0.233 430 A C 1.372 178.861 177.584 -0.158 0.000 1.060 430 A CA 0.721 52.707 52.037 -0.084 0.000 0.759 430 A CB -0.597 18.334 19.000 -0.114 0.000 0.995 430 A HN 0.535 nan 8.150 nan 0.000 0.506 431 G N 0.624 109.511 108.800 0.144 0.000 2.200 431 G HA2 0.097 4.057 3.960 -0.000 0.000 0.267 431 G HA3 0.097 4.057 3.960 -0.000 0.000 0.267 431 G C 1.713 176.665 174.900 0.088 0.000 0.993 431 G CA 1.231 46.507 45.100 0.293 0.000 0.701 431 G HN 2.852 nan 8.290 nan 0.000 0.524 432 G N -2.374 106.435 108.800 0.015 0.000 2.225 432 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.267 432 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.267 432 G C 1.271 176.132 174.900 -0.066 0.000 1.024 432 G CA 1.069 46.159 45.100 -0.017 0.000 0.784 432 G HN 1.419 nan 8.290 nan 0.000 0.507 433 V N -1.110 118.744 119.914 -0.100 0.000 2.229 433 V HA 0.181 4.301 4.120 -0.000 0.000 0.243 433 V C 1.424 177.348 176.094 -0.284 0.000 1.042 433 V CA 1.695 63.889 62.300 -0.176 0.000 1.000 433 V CB -0.346 31.383 31.823 -0.157 0.000 0.637 433 V HN 0.320 nan 8.190 nan 0.000 0.446 434 F N 0.190 120.027 119.950 -0.189 0.000 2.421 434 F HA 0.502 5.029 4.527 -0.000 0.000 0.337 434 F C 0.581 176.292 175.800 -0.150 0.000 1.105 434 F CA -0.422 57.469 58.000 -0.181 0.000 1.049 434 F CB 1.570 40.431 39.000 -0.231 0.000 1.139 434 F HN 0.039 nan 8.300 nan 0.000 0.479 435 T N -1.259 113.312 114.554 0.028 0.000 2.952 435 T HA 0.260 4.610 4.350 -0.000 0.000 0.286 435 T C 0.690 175.403 174.700 0.022 0.000 1.024 435 T CA -0.826 61.272 62.100 -0.004 0.000 1.029 435 T CB 1.460 70.296 68.868 -0.054 0.000 1.094 435 T HN 0.511 nan 8.240 nan 0.000 0.515 436 D N 1.174 121.578 120.400 0.007 0.000 2.087 436 D HA -0.120 4.520 4.640 -0.000 0.000 0.192 436 D C 1.843 178.158 176.300 0.025 0.000 0.993 436 D CA 1.838 55.845 54.000 0.013 0.000 0.828 436 D CB -0.046 40.758 40.800 0.008 0.000 0.968 436 D HN 0.839 nan 8.370 nan 0.000 0.448 437 E N 1.515 121.724 120.200 0.017 0.000 2.204 437 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 437 E C 1.895 178.516 176.600 0.036 0.000 0.989 437 E CA 0.923 57.340 56.400 0.028 0.000 0.824 437 E CB -0.588 29.126 29.700 0.024 0.000 0.756 437 E HN 0.241 nan 8.360 nan 0.000 0.477 438 A N 1.304 124.129 122.820 0.009 0.000 1.877 438 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 438 A C 2.308 179.967 177.584 0.124 0.000 1.186 438 A CA 1.453 53.497 52.037 0.013 0.000 0.620 438 A CB -0.679 18.288 19.000 -0.054 0.000 0.822 438 A HN 0.261 nan 8.150 nan 0.000 0.443 439 I N -0.376 120.267 120.570 0.122 0.000 2.353 439 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 439 I C 1.596 177.790 176.117 0.127 0.000 1.119 439 I CA 1.211 62.577 61.300 0.111 0.000 1.417 439 I CB -0.391 37.623 38.000 0.023 0.000 1.078 439 I HN 0.272 nan 8.210 nan 0.000 0.421 440 D N 1.154 121.611 120.400 0.096 0.000 2.224 440 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 440 D C 2.220 178.590 176.300 0.115 0.000 0.965 440 D CA 1.287 55.342 54.000 0.091 0.000 0.852 440 D CB 0.109 40.946 40.800 0.061 0.000 0.947 440 D HN 0.328 nan 8.370 nan 0.000 0.494 441 A N 0.438 123.339 122.820 0.134 0.000 1.873 441 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 441 A C 2.156 179.844 177.584 0.173 0.000 1.186 441 A CA 0.965 53.089 52.037 0.144 0.000 0.616 441 A CB -1.028 18.067 19.000 0.159 0.000 0.823 441 A HN 0.254 nan 8.150 nan 0.000 0.442 442 Y N 0.647 121.004 120.300 0.096 0.000 2.081 442 Y HA -0.256 4.294 4.550 0.000 0.000 0.280 442 Y C 2.072 178.018 175.900 0.078 0.000 1.163 442 Y CA 2.077 60.237 58.100 0.100 0.000 1.135 442 Y CB -0.342 38.185 38.460 0.111 0.000 0.970 442 Y HN 0.274 nan 8.280 nan 0.000 0.498 443 I N 0.051 120.802 120.570 0.302 0.000 2.194 443 I HA -0.407 3.763 4.170 -0.000 0.000 0.246 443 I C 2.666 178.829 176.117 0.076 0.000 1.093 443 I CA 1.328 62.741 61.300 0.188 0.000 1.355 443 I CB -0.799 37.293 38.000 0.152 0.000 1.046 443 I HN 0.376 nan 8.210 nan 0.000 0.413 444 A N 0.866 123.726 122.820 0.067 0.000 1.883 444 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 444 A C 2.314 179.901 177.584 0.005 0.000 1.186 444 A CA 1.497 53.557 52.037 0.038 0.000 0.624 444 A CB -0.849 18.181 19.000 0.050 0.000 0.822 444 A HN 0.375 nan 8.150 nan 0.000 0.444 445 L N -1.072 120.134 121.223 -0.028 0.000 1.994 445 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 445 L C 2.879 179.697 176.870 -0.088 0.000 1.071 445 L CA 1.335 56.133 54.840 -0.069 0.000 0.745 445 L CB -0.496 41.483 42.059 -0.132 0.000 0.892 445 L HN 0.285 nan 8.230 nan 0.000 0.431 446 R N -0.182 120.234 120.500 -0.141 0.000 2.120 446 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 446 R C 2.233 178.522 176.300 -0.019 0.000 1.123 446 R CA 0.815 56.856 56.100 -0.098 0.000 0.975 446 R CB -0.666 29.561 30.300 -0.121 0.000 0.866 446 R HN 0.322 nan 8.270 nan 0.000 0.446 447 R N 1.330 121.827 120.500 -0.004 0.000 2.096 447 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 447 R C 2.053 178.358 176.300 0.008 0.000 1.127 447 R CA 1.588 57.695 56.100 0.013 0.000 0.968 447 R CB -0.159 30.154 30.300 0.021 0.000 0.861 447 R HN 0.606 nan 8.270 nan 0.000 0.440 448 E N 0.131 120.331 120.200 0.000 0.000 2.158 448 E HA -0.118 4.231 4.350 -0.000 0.000 0.191 448 E C 1.390 177.991 176.600 0.002 0.000 0.982 448 E CA 0.711 57.112 56.400 0.003 0.000 0.823 448 E CB -0.123 29.578 29.700 0.001 0.000 0.766 448 E HN 0.367 nan 8.360 nan 0.000 0.468 449 E N 1.211 121.408 120.200 -0.004 0.000 2.047 449 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 449 E C 1.741 178.350 176.600 0.015 0.000 0.987 449 E CA 1.441 57.842 56.400 0.000 0.000 0.799 449 E CB -0.123 29.573 29.700 -0.006 0.000 0.752 449 E HN 0.323 nan 8.360 nan 0.000 0.449 450 D N 0.829 121.242 120.400 0.022 0.000 2.149 450 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 450 D C 1.508 177.823 176.300 0.024 0.000 0.990 450 D CA 1.345 55.364 54.000 0.030 0.000 0.839 450 D CB 0.043 40.861 40.800 0.030 0.000 0.948 450 D HN 0.005 nan 8.370 nan 0.000 0.460 451 D N -0.230 120.180 120.400 0.018 0.000 2.104 451 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 451 D C 2.240 178.552 176.300 0.020 0.000 0.994 451 D CA 0.740 54.750 54.000 0.017 0.000 0.830 451 D CB -0.153 40.655 40.800 0.014 0.000 0.959 451 D HN 0.311 nan 8.370 nan 0.000 0.452 452 R N 0.376 120.887 120.500 0.019 0.000 2.080 452 R HA -0.103 4.237 4.340 -0.000 0.000 0.236 452 R C 2.445 178.762 176.300 0.028 0.000 1.137 452 R CA 0.969 57.081 56.100 0.021 0.000 0.943 452 R CB -0.769 29.540 30.300 0.014 0.000 0.846 452 R HN 0.152 nan 8.270 nan 0.000 0.431 453 V N 0.989 120.922 119.914 0.031 0.000 2.427 453 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 453 V C 2.375 178.502 176.094 0.056 0.000 1.051 453 V CA 1.605 63.933 62.300 0.047 0.000 1.048 453 V CB -0.544 31.312 31.823 0.055 0.000 0.666 453 V HN 0.302 nan 8.190 nan 0.000 0.456 454 R N -0.820 119.705 120.500 0.041 0.000 2.148 454 R HA 0.015 4.355 4.340 -0.000 0.000 0.227 454 R C 2.107 178.427 176.300 0.033 0.000 1.103 454 R CA 1.278 57.399 56.100 0.034 0.000 0.983 454 R CB -0.164 30.148 30.300 0.020 0.000 0.874 454 R HN 0.472 nan 8.270 nan 0.000 0.451 455 M N -1.019 118.601 119.600 0.033 0.000 2.516 455 M HA 0.045 4.525 4.480 -0.000 0.000 0.259 455 M C 0.280 176.606 176.300 0.044 0.000 1.146 455 M CA 0.523 55.842 55.300 0.031 0.000 1.122 455 M CB 0.768 33.383 32.600 0.025 0.000 1.341 455 M HN -0.186 nan 8.290 nan 0.000 0.478 456 T N 2.836 117.423 114.554 0.055 0.000 2.780 456 T HA 0.275 4.625 4.350 -0.000 0.000 0.294 456 T C -2.270 172.492 174.700 0.104 0.000 0.949 456 T CA -0.987 61.156 62.100 0.070 0.000 1.074 456 T CB 0.678 69.579 68.868 0.056 0.000 0.910 456 T HN -0.021 nan 8.240 nan 0.000 0.501 457 P HA 0.065 nan 4.420 nan 0.000 0.265 457 P C -0.619 176.835 177.300 0.256 0.000 1.187 457 P CA 0.008 63.222 63.100 0.190 0.000 0.766 457 P CB 0.299 32.162 31.700 0.272 0.000 0.820 458 H N 3.759 122.927 119.070 0.163 0.000 2.473 458 H HA 0.231 4.787 4.556 -0.000 0.000 0.327 458 H C -1.563 173.933 175.328 0.279 0.000 1.105 458 H CA -1.958 54.187 56.048 0.162 0.000 1.280 458 H CB 1.173 30.989 29.762 0.091 0.000 1.450 458 H HN 0.295 nan 8.280 nan 0.000 0.492 459 P HA -0.260 nan 4.420 nan 0.000 0.216 459 P C 1.414 178.986 177.300 0.452 0.000 1.157 459 P CA 1.302 64.571 63.100 0.282 0.000 0.880 459 P CB 0.175 31.877 31.700 0.003 0.000 0.791 460 V N 0.097 120.331 119.914 0.534 0.000 2.568 460 V HA -0.256 3.864 4.120 -0.000 0.000 0.253 460 V C 2.140 178.306 176.094 0.120 0.000 1.072 460 V CA 1.751 64.200 62.300 0.249 0.000 1.084 460 V CB -1.251 30.623 31.823 0.086 0.000 0.676 460 V HN 0.268 nan 8.190 nan 0.000 0.469 461 E N -0.504 119.812 120.200 0.192 0.000 2.204 461 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 461 E C 2.047 178.628 176.600 -0.031 0.000 0.990 461 E CA 1.291 57.743 56.400 0.086 0.000 0.821 461 E CB -0.198 29.532 29.700 0.050 0.000 0.750 461 E HN 0.659 nan 8.360 nan 0.000 0.477 462 F N 1.203 121.240 119.950 0.145 0.000 2.234 462 F HA -0.063 4.463 4.527 -0.000 0.000 0.296 462 F C 2.458 178.307 175.800 0.082 0.000 1.089 462 F CA 0.943 59.035 58.000 0.153 0.000 1.343 462 F CB -0.223 38.829 39.000 0.087 0.000 1.040 462 F HN -0.020 nan 8.300 nan 0.000 0.498 463 E N 0.372 120.684 120.200 0.186 0.000 2.058 463 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 463 E C 2.029 178.599 176.600 -0.050 0.000 0.997 463 E CA 1.294 57.725 56.400 0.051 0.000 0.801 463 E CB -0.102 29.604 29.700 0.011 0.000 0.746 463 E HN 0.187 nan 8.360 nan 0.000 0.450 464 L N -0.514 120.582 121.223 -0.212 0.000 2.179 464 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 464 L C 1.288 177.843 176.870 -0.523 0.000 1.096 464 L CA 1.515 56.039 54.840 -0.526 0.000 0.779 464 L CB -0.294 41.124 42.059 -1.067 0.000 0.922 464 L HN 0.289 nan 8.230 nan 0.000 0.443 465 Y N -4.617 115.687 120.300 0.007 0.000 2.432 465 Y HA 0.084 4.634 4.550 -0.000 0.000 0.252 465 Y C 1.904 177.811 175.900 0.011 0.000 1.097 465 Y CA -1.041 57.045 58.100 -0.023 0.000 1.250 465 Y CB -0.700 37.703 38.460 -0.096 0.000 1.245 465 Y HN 0.005 nan 8.280 nan 0.000 0.522 466 Y N 1.251 121.611 120.300 0.100 0.000 2.151 466 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 466 Y C 1.850 177.801 175.900 0.085 0.000 1.166 466 Y CA 2.136 60.304 58.100 0.113 0.000 1.163 466 Y CB -0.116 38.457 38.460 0.189 0.000 0.974 466 Y HN -0.064 nan 8.280 nan 0.000 0.511 467 S N -0.339 115.462 115.700 0.168 0.000 2.743 467 S HA 0.119 4.589 4.470 -0.000 0.000 0.230 467 S C 0.531 175.143 174.600 0.020 0.000 0.950 467 S CA -0.114 58.132 58.200 0.078 0.000 0.976 467 S CB -0.493 62.791 63.200 0.140 0.000 0.779 467 S HN 0.154 nan 8.310 nan 0.000 0.487 468 V N 0.000 119.919 119.914 0.009 0.000 2.409 468 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 468 V CA 0.000 62.309 62.300 0.015 0.000 1.235 468 V CB 0.000 31.846 31.823 0.037 0.000 1.184 468 V HN 0.000 nan 8.190 nan 0.000 0.556