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 2plm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIIGNCLILK DFSSEPFWGA VEIENGTIKR VLQGEVKVDL DLSGKLVMPA DATA SEQUENCE LFNTHTHAPM TLLRGVAEDL SFEEWLFSKV LPIEDRLTEK MAYYGTILAQ DATA SEQUENCE MEMARHGIAG FVDMYFHEEW IAKAVRDFGM RALLTRGLVD SNGDDGGRLE DATA SEQUENCE ENLKLYNEWN GFEGRIFVGF GPHSPYLCSE EYLKRVFDTA KSLNAPVTIH DATA SEQUENCE LYETSKEEYD LEDILNIGLK EVKTIAAHCV HLPERYFGVL KDIPFFVSHN DATA SEQUENCE PASNLKLGNG IAPVQRMIEH GMKVTLGTDG AASNNSLNLF FEMRLASLLQ DATA SEQUENCE KAQNPRNLDV NTCLKMVTYD GAQAMGFKSG KIEEGWNADL VVIDLDLPEM DATA SEQUENCE FPVQNIKNHL VHAFSGEVFA TMVAGKWIYF DGEYPTIDSE EVKRELARIE DATA SEQUENCE KELY 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 I N 6.590 127.187 120.570 0.045 0.000 2.439 2 I HA 0.495 4.664 4.170 -0.001 0.000 0.285 2 I C -0.563 175.600 176.117 0.077 0.000 1.021 2 I CA -0.776 60.556 61.300 0.053 0.000 1.091 2 I CB 1.705 39.734 38.000 0.049 0.000 1.242 2 I HN 0.647 nan 8.210 nan 0.000 0.439 3 I N 2.940 123.564 120.570 0.088 0.000 2.562 3 I HA 1.043 5.213 4.170 -0.001 0.000 0.301 3 I C 0.223 176.378 176.117 0.063 0.000 1.003 3 I CA -0.190 61.183 61.300 0.123 0.000 1.127 3 I CB 2.026 40.161 38.000 0.224 0.000 1.304 3 I HN 0.686 nan 8.210 nan 0.000 0.446 4 G N 3.696 112.512 108.800 0.027 0.000 2.534 4 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.142 4 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.142 4 G C -0.319 174.497 174.900 -0.140 0.000 1.178 4 G CA -0.181 44.875 45.100 -0.073 0.000 1.037 4 G HN 1.216 nan 8.290 nan 0.000 0.474 5 N N -0.658 117.920 118.700 -0.203 0.000 2.780 5 N HA -0.159 4.581 4.740 -0.001 0.000 0.247 5 N C -0.052 175.019 175.510 -0.731 0.000 1.076 5 N CA 0.970 53.923 53.050 -0.162 0.000 0.688 5 N CB -1.584 36.968 38.487 0.109 0.000 0.957 5 N HN 1.851 nan 8.380 nan 0.000 0.551 6 C N -2.522 115.936 119.300 -1.403 0.000 3.266 6 C HA 0.580 5.040 4.460 -0.001 0.000 0.369 6 C C 0.165 174.413 174.990 -1.237 0.000 1.580 6 C CA -1.346 56.690 59.018 -1.636 0.000 1.165 6 C CB 0.598 27.927 27.740 -0.686 0.000 1.835 6 C HN 0.167 nan 8.230 nan 0.000 0.433 7 L N 1.840 122.649 121.223 -0.690 0.000 2.426 7 L HA 0.521 4.861 4.340 -0.001 0.000 0.271 7 L C -0.351 176.269 176.870 -0.417 0.000 1.169 7 L CA -0.036 54.576 54.840 -0.380 0.000 0.836 7 L CB 0.537 42.491 42.059 -0.175 0.000 1.112 7 L HN 0.485 nan 8.230 nan 0.000 0.465 8 I N 4.436 124.665 120.570 -0.569 0.000 2.468 8 I HA 0.208 4.377 4.170 -0.001 0.000 0.285 8 I C -0.579 175.132 176.117 -0.676 0.000 1.039 8 I CA -0.540 60.374 61.300 -0.643 0.000 1.074 8 I CB 1.778 39.268 38.000 -0.850 0.000 1.228 8 I HN 0.339 nan 8.210 nan 0.000 0.436 9 L N 7.563 128.577 121.223 -0.349 0.000 2.287 9 L HA 0.344 4.683 4.340 -0.001 0.000 0.280 9 L C 1.445 178.214 176.870 -0.169 0.000 1.055 9 L CA 0.208 54.911 54.840 -0.227 0.000 0.863 9 L CB 0.425 42.418 42.059 -0.109 0.000 1.245 9 L HN 0.627 nan 8.230 nan 0.000 0.432 10 K N 2.396 122.696 120.400 -0.168 0.000 2.020 10 K HA -0.157 4.163 4.320 -0.001 0.000 0.212 10 K C -0.199 176.323 176.600 -0.129 0.000 1.050 10 K CA 2.205 58.435 56.287 -0.096 0.000 0.929 10 K CB 0.173 32.679 32.500 0.010 0.000 0.714 10 K HN 0.931 nan 8.250 nan 0.000 0.443 11 D N -3.375 116.929 120.400 -0.159 0.000 2.692 11 D HA 0.042 4.682 4.640 -0.001 0.000 0.303 11 D C 0.810 176.989 176.300 -0.201 0.000 1.278 11 D CA -0.504 53.376 54.000 -0.200 0.000 0.852 11 D CB -0.133 40.410 40.800 -0.429 0.000 1.375 11 D HN 0.010 nan 8.370 nan 0.000 0.453 12 F N -0.316 119.621 119.950 -0.022 0.000 2.202 12 F HA -0.038 4.488 4.527 -0.001 0.000 0.301 12 F C 1.714 177.509 175.800 -0.009 0.000 1.082 12 F CA 1.257 59.258 58.000 0.001 0.000 1.313 12 F CB -0.919 38.092 39.000 0.019 0.000 1.024 12 F HN 0.276 nan 8.300 nan 0.000 0.495 13 S N -0.638 114.606 115.700 -0.760 0.000 2.556 13 S HA 0.224 4.694 4.470 -0.001 0.000 0.216 13 S C 0.691 175.157 174.600 -0.224 0.000 0.970 13 S CA -0.107 57.869 58.200 -0.374 0.000 0.912 13 S CB -0.905 61.997 63.200 -0.496 0.000 0.790 13 S HN 0.534 nan 8.310 nan 0.000 0.504 14 S N 0.572 116.144 115.700 -0.214 0.000 2.747 14 S HA 0.658 5.128 4.470 -0.001 0.000 0.300 14 S C -0.680 173.896 174.600 -0.041 0.000 1.121 14 S CA -0.813 57.326 58.200 -0.102 0.000 0.995 14 S CB 1.051 64.203 63.200 -0.081 0.000 1.113 14 S HN 0.191 nan 8.310 nan 0.000 0.547 15 E N 1.020 121.227 120.200 0.011 0.000 2.202 15 E HA 0.505 4.855 4.350 -0.001 0.000 0.272 15 E C -2.630 173.996 176.600 0.043 0.000 0.951 15 E CA -2.212 54.201 56.400 0.022 0.000 0.813 15 E CB 1.037 30.758 29.700 0.035 0.000 1.151 15 E HN 0.425 nan 8.360 nan 0.000 0.398 16 P HA 0.068 nan 4.420 nan 0.000 0.268 16 P C -0.781 176.542 177.300 0.038 0.000 1.208 16 P CA 0.223 63.267 63.100 -0.093 0.000 0.777 16 P CB 0.175 31.831 31.700 -0.074 0.000 0.875 17 F N -0.944 119.022 119.950 0.027 0.000 2.619 17 F HA 0.468 4.995 4.527 -0.001 0.000 0.308 17 F C -1.472 174.389 175.800 0.103 0.000 1.097 17 F CA -1.677 56.369 58.000 0.075 0.000 0.953 17 F CB 0.897 39.925 39.000 0.048 0.000 1.287 17 F HN 0.315 nan 8.300 nan 0.000 0.446 18 W N 4.186 125.649 121.300 0.272 0.000 2.303 18 W HA 0.538 5.197 4.660 -0.002 0.000 0.318 18 W C -0.198 176.501 176.519 0.301 0.000 1.362 18 W CA 0.898 58.347 57.345 0.174 0.000 1.234 18 W CB 0.998 30.522 29.460 0.108 0.000 1.248 18 W HN 1.093 nan 8.180 nan 0.000 0.546 19 G N 2.429 111.223 108.800 -0.010 0.000 2.510 19 G HA2 0.653 4.613 3.960 -0.001 0.000 0.277 19 G HA3 0.653 4.613 3.960 -0.001 0.000 0.277 19 G C -2.058 172.824 174.900 -0.031 0.000 1.223 19 G CA -0.015 45.183 45.100 0.162 0.000 0.887 19 G HN 0.819 nan 8.290 nan 0.000 0.485 20 A N -1.796 121.062 122.820 0.064 0.000 2.599 20 A HA 0.831 5.151 4.320 -0.001 0.000 0.290 20 A C -1.709 175.906 177.584 0.053 0.000 1.101 20 A CA -0.383 51.666 52.037 0.020 0.000 0.674 20 A CB 1.538 20.562 19.000 0.039 0.000 1.277 20 A HN 1.642 nan 8.150 nan 0.000 0.419 21 V N 0.584 120.522 119.914 0.040 0.000 2.656 21 V HA 0.591 4.710 4.120 -0.001 0.000 0.307 21 V C -0.367 175.753 176.094 0.043 0.000 1.051 21 V CA -0.464 61.863 62.300 0.046 0.000 0.893 21 V CB 1.762 33.607 31.823 0.036 0.000 0.999 21 V HN 0.959 nan 8.190 nan 0.000 0.426 22 E N 3.353 123.577 120.200 0.041 0.000 2.145 22 E HA 0.645 4.994 4.350 -0.001 0.000 0.270 22 E C -1.574 175.038 176.600 0.020 0.000 0.906 22 E CA -0.587 55.832 56.400 0.031 0.000 0.761 22 E CB 1.343 31.062 29.700 0.033 0.000 1.116 22 E HN 0.558 nan 8.360 nan 0.000 0.408 23 I N 3.714 124.284 120.570 0.001 0.000 2.412 23 I HA 0.352 4.521 4.170 -0.001 0.000 0.296 23 I C -0.392 175.712 176.117 -0.022 0.000 0.987 23 I CA -0.325 60.964 61.300 -0.019 0.000 1.180 23 I CB 1.859 39.819 38.000 -0.067 0.000 1.340 23 I HN 0.540 nan 8.210 nan 0.000 0.455 24 E N 5.269 125.459 120.200 -0.017 0.000 2.313 24 E HA 0.360 4.710 4.350 -0.001 0.000 0.280 24 E C -1.042 175.545 176.600 -0.021 0.000 0.898 24 E CA -0.526 55.864 56.400 -0.018 0.000 0.803 24 E CB 0.634 30.332 29.700 -0.004 0.000 1.286 24 E HN 0.672 nan 8.360 nan 0.000 0.401 25 N N 3.295 121.975 118.700 -0.034 0.000 2.708 25 N HA -0.234 4.506 4.740 -0.001 0.000 0.255 25 N C 0.527 176.014 175.510 -0.039 0.000 1.046 25 N CA 0.482 53.510 53.050 -0.037 0.000 0.715 25 N CB -0.787 37.684 38.487 -0.028 0.000 0.895 25 N HN 0.944 nan 8.380 nan 0.000 0.545 26 G N -0.805 107.963 108.800 -0.053 0.000 2.180 26 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.263 26 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.263 26 G C 0.265 175.153 174.900 -0.020 0.000 0.989 26 G CA 1.358 46.427 45.100 -0.052 0.000 0.692 26 G HN 1.033 nan 8.290 nan 0.000 0.526 27 T N -2.591 111.961 114.554 -0.003 0.000 2.901 27 T HA 0.715 5.065 4.350 -0.001 0.000 0.293 27 T C -0.101 174.627 174.700 0.047 0.000 1.084 27 T CA -1.186 60.936 62.100 0.036 0.000 1.008 27 T CB 2.036 70.928 68.868 0.040 0.000 1.170 27 T HN 0.328 nan 8.240 nan 0.000 0.509 28 I N 2.716 123.342 120.570 0.092 0.000 2.363 28 I HA 0.284 4.454 4.170 -0.001 0.000 0.292 28 I C 1.276 177.442 176.117 0.081 0.000 1.075 28 I CA -0.114 61.239 61.300 0.089 0.000 1.333 28 I CB 0.954 39.030 38.000 0.127 0.000 1.415 28 I HN 0.913 nan 8.210 nan 0.000 0.502 29 K N 7.366 127.799 120.400 0.054 0.000 2.098 29 K HA 0.062 4.382 4.320 -0.001 0.000 0.203 29 K C 0.374 177.006 176.600 0.053 0.000 1.051 29 K CA 0.796 57.112 56.287 0.048 0.000 0.957 29 K CB 0.586 33.105 32.500 0.032 0.000 0.738 29 K HN 0.724 nan 8.250 nan 0.000 0.447 30 R N -1.166 119.365 120.500 0.051 0.000 2.664 30 R HA 0.299 4.638 4.340 -0.001 0.000 0.266 30 R C -1.802 174.532 176.300 0.057 0.000 1.046 30 R CA -0.939 55.191 56.100 0.051 0.000 0.885 30 R CB 1.366 31.691 30.300 0.041 0.000 1.254 30 R HN -0.162 nan 8.270 nan 0.000 0.465 31 V N 3.476 123.427 119.914 0.062 0.000 2.357 31 V HA 0.405 4.525 4.120 -0.001 0.000 0.284 31 V C -0.060 176.085 176.094 0.086 0.000 1.018 31 V CA -0.720 61.635 62.300 0.091 0.000 0.841 31 V CB 1.300 33.194 31.823 0.119 0.000 0.991 31 V HN 0.520 nan 8.190 nan 0.000 0.437 32 L N 4.926 126.212 121.223 0.105 0.000 2.334 32 L HA 0.596 4.936 4.340 -0.001 0.000 0.275 32 L C -0.005 176.945 176.870 0.133 0.000 1.036 32 L CA -0.507 54.386 54.840 0.088 0.000 0.807 32 L CB 1.330 43.437 42.059 0.080 0.000 1.231 32 L HN 0.573 nan 8.230 nan 0.000 0.438 33 Q N 1.445 121.279 119.800 0.057 0.000 2.312 33 Q HA 0.652 4.992 4.340 -0.001 0.000 0.263 33 Q C 0.229 176.302 176.000 0.121 0.000 0.995 33 Q CA -0.346 55.487 55.803 0.049 0.000 0.853 33 Q CB 2.412 31.046 28.738 -0.174 0.000 1.300 33 Q HN 0.871 nan 8.270 nan 0.000 0.448 34 G N 1.858 110.803 108.800 0.241 0.000 2.615 34 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.218 34 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.218 34 G C -0.768 174.329 174.900 0.328 0.000 1.339 34 G CA -0.807 44.447 45.100 0.256 0.000 0.884 34 G HN 0.547 nan 8.290 nan 0.000 0.559 35 E N -0.690 119.645 120.200 0.224 0.000 2.373 35 E HA 0.586 4.935 4.350 -0.001 0.000 0.263 35 E C 0.243 176.936 176.600 0.155 0.000 1.073 35 E CA 0.153 56.684 56.400 0.218 0.000 0.894 35 E CB 1.786 31.559 29.700 0.123 0.000 1.008 35 E HN 1.498 nan 8.360 nan 0.000 0.420 36 V N 0.963 120.964 119.914 0.146 0.000 3.234 36 V HA 0.136 4.256 4.120 -0.001 0.000 0.280 36 V C -1.328 174.821 176.094 0.092 0.000 1.580 36 V CA -0.948 61.413 62.300 0.101 0.000 1.032 36 V CB 2.281 34.160 31.823 0.093 0.000 1.203 36 V HN 0.667 nan 8.190 nan 0.000 0.459 37 K N 2.834 123.276 120.400 0.069 0.000 2.383 37 K HA 0.574 4.894 4.320 -0.001 0.000 0.286 37 K C -0.569 176.068 176.600 0.062 0.000 1.051 37 K CA 0.007 56.331 56.287 0.062 0.000 0.974 37 K CB 0.911 33.440 32.500 0.048 0.000 0.968 37 K HN 0.916 nan 8.250 nan 0.000 0.475 38 V N 0.866 120.819 119.914 0.065 0.000 2.864 38 V HA 0.321 4.441 4.120 -0.001 0.000 0.314 38 V C 0.251 176.383 176.094 0.062 0.000 1.073 38 V CA -0.662 61.677 62.300 0.064 0.000 0.956 38 V CB 1.952 33.815 31.823 0.068 0.000 1.023 38 V HN 0.767 nan 8.190 nan 0.000 0.435 39 D N 1.341 121.781 120.400 0.066 0.000 2.213 39 D HA 0.120 4.760 4.640 -0.001 0.000 0.205 39 D C 0.188 176.535 176.300 0.079 0.000 0.961 39 D CA 1.269 55.307 54.000 0.063 0.000 0.853 39 D CB 0.795 41.631 40.800 0.060 0.000 0.967 39 D HN 0.437 nan 8.370 nan 0.000 0.496 40 L N 1.422 122.708 121.223 0.105 0.000 2.372 40 L HA 0.274 4.614 4.340 -0.001 0.000 0.273 40 L C -1.328 175.608 176.870 0.111 0.000 0.989 40 L CA -0.682 54.237 54.840 0.131 0.000 0.841 40 L CB 2.026 44.218 42.059 0.222 0.000 1.225 40 L HN -0.325 nan 8.230 nan 0.000 0.414 41 D N 4.461 124.912 120.400 0.086 0.000 2.365 41 D HA 0.273 4.912 4.640 -0.001 0.000 0.237 41 D C -0.024 176.295 176.300 0.032 0.000 1.190 41 D CA 0.095 54.130 54.000 0.059 0.000 0.867 41 D CB 0.662 41.499 40.800 0.062 0.000 1.050 41 D HN 0.623 nan 8.370 nan 0.000 0.491 42 L N 3.128 124.342 121.223 -0.014 0.000 3.034 42 L HA 0.204 4.544 4.340 -0.001 0.000 0.245 42 L C 0.709 177.489 176.870 -0.151 0.000 1.295 42 L CA -0.453 54.338 54.840 -0.082 0.000 1.068 42 L CB 0.063 42.084 42.059 -0.064 0.000 1.426 42 L HN 0.331 nan 8.230 nan 0.000 0.531 43 S N 0.589 116.243 115.700 -0.077 0.000 2.546 43 S HA 0.287 4.756 4.470 -0.001 0.000 0.290 43 S C 1.304 175.890 174.600 -0.023 0.000 1.290 43 S CA 0.961 59.156 58.200 -0.008 0.000 1.069 43 S CB 0.395 63.700 63.200 0.176 0.000 0.846 43 S HN 0.781 nan 8.310 nan 0.000 0.495 44 G N 3.643 112.446 108.800 0.006 0.000 2.141 44 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.231 44 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.231 44 G C -0.114 174.718 174.900 -0.113 0.000 0.984 44 G CA 0.325 45.418 45.100 -0.011 0.000 0.660 44 G HN 0.742 nan 8.290 nan 0.000 0.525 45 K N -1.188 119.106 120.400 -0.176 0.000 2.439 45 K HA 0.817 5.137 4.320 -0.001 0.000 0.260 45 K C -1.189 175.290 176.600 -0.201 0.000 1.032 45 K CA -1.123 55.040 56.287 -0.208 0.000 0.882 45 K CB 2.238 34.573 32.500 -0.275 0.000 1.420 45 K HN 0.258 nan 8.250 nan 0.000 0.455 46 L N 0.665 121.784 121.223 -0.173 0.000 2.365 46 L HA 0.531 4.871 4.340 -0.001 0.000 0.273 46 L C -1.543 175.260 176.870 -0.113 0.000 1.000 46 L CA -0.598 54.145 54.840 -0.161 0.000 0.819 46 L CB 2.062 44.036 42.059 -0.142 0.000 1.284 46 L HN 0.337 nan 8.230 nan 0.000 0.418 47 V N 6.373 126.215 119.914 -0.121 0.000 2.417 47 V HA 0.654 4.773 4.120 -0.001 0.000 0.291 47 V C 0.138 176.202 176.094 -0.050 0.000 1.024 47 V CA -0.342 61.929 62.300 -0.048 0.000 0.861 47 V CB 1.414 33.208 31.823 -0.048 0.000 0.985 47 V HN 0.969 nan 8.190 nan 0.000 0.436 48 M N 4.790 124.406 119.600 0.026 0.000 2.664 48 M HA 0.776 5.256 4.480 -0.001 0.000 0.279 48 M C -3.144 173.218 176.300 0.103 0.000 1.275 48 M CA -2.225 53.100 55.300 0.043 0.000 0.829 48 M CB 2.346 34.988 32.600 0.069 0.000 1.727 48 M HN 0.193 nan 8.290 nan 0.000 0.459 49 P HA 0.237 nan 4.420 nan 0.000 0.269 49 P C -0.801 176.626 177.300 0.212 0.000 1.209 49 P CA -0.014 63.194 63.100 0.181 0.000 0.776 49 P CB 0.542 32.364 31.700 0.205 0.000 0.876 50 A N 2.640 125.597 122.820 0.228 0.000 2.327 50 A HA 0.413 4.732 4.320 -0.001 0.000 0.255 50 A C -0.363 177.307 177.584 0.142 0.000 1.099 50 A CA 0.028 52.152 52.037 0.146 0.000 0.801 50 A CB -0.358 18.666 19.000 0.039 0.000 1.062 50 A HN 0.429 nan 8.150 nan 0.000 0.496 51 L N -0.419 120.784 121.223 -0.033 0.000 2.360 51 L HA 0.572 4.912 4.340 -0.001 0.000 0.271 51 L C -0.843 175.861 176.870 -0.278 0.000 1.057 51 L CA 0.307 55.131 54.840 -0.026 0.000 0.803 51 L CB 0.838 42.814 42.059 -0.137 0.000 1.207 51 L HN 0.516 nan 8.230 nan 0.000 0.445 52 F N 0.958 120.928 119.950 0.033 0.000 2.496 52 F HA 0.337 4.864 4.527 -0.000 0.000 0.341 52 F C 0.233 176.059 175.800 0.043 0.000 1.134 52 F CA -0.918 57.116 58.000 0.057 0.000 0.968 52 F CB 1.092 40.136 39.000 0.074 0.000 1.205 52 F HN 0.362 nan 8.300 nan 0.000 0.436 53 N N 1.752 120.531 118.700 0.132 0.000 2.439 53 N HA 0.042 4.781 4.740 -0.001 0.000 0.243 53 N C 0.892 176.483 175.510 0.135 0.000 1.088 53 N CA 0.002 53.115 53.050 0.104 0.000 0.940 53 N CB 0.872 39.395 38.487 0.060 0.000 1.180 53 N HN 0.663 nan 8.380 nan 0.000 0.505 54 T N 0.317 114.937 114.554 0.110 0.000 3.252 54 T HA 0.034 4.384 4.350 -0.001 0.000 0.250 54 T C 0.086 174.850 174.700 0.107 0.000 1.123 54 T CA 0.329 62.481 62.100 0.087 0.000 1.006 54 T CB -0.513 68.384 68.868 0.048 0.000 0.992 54 T HN 0.612 nan 8.240 nan 0.000 0.547 55 H N -0.633 118.413 119.070 -0.040 0.000 3.184 55 H HA 0.501 5.056 4.556 -0.000 0.000 0.317 55 H C -1.003 174.238 175.328 -0.146 0.000 1.065 55 H CA -0.194 55.785 56.048 -0.115 0.000 1.462 55 H CB 1.392 31.062 29.762 -0.154 0.000 2.037 55 H HN 0.212 nan 8.280 nan 0.000 0.431 56 T N 3.089 117.187 114.554 -0.760 0.000 2.693 56 T HA 0.323 4.673 4.350 -0.001 0.000 0.304 56 T C -1.881 172.295 174.700 -0.874 0.000 1.471 56 T CA -0.681 61.004 62.100 -0.692 0.000 0.993 56 T CB 0.922 69.585 68.868 -0.342 0.000 1.554 56 T HN 0.661 nan 8.240 nan 0.000 0.496 57 H N 1.430 120.334 119.070 -0.277 0.000 2.607 57 H HA 0.501 5.057 4.556 -0.001 0.000 0.248 57 H C 1.088 176.101 175.328 -0.525 0.000 1.355 57 H CA 0.114 55.944 56.048 -0.364 0.000 1.524 57 H CB 0.851 30.476 29.762 -0.228 0.000 1.563 57 H HN 0.752 nan 8.280 nan 0.000 0.509 58 A N 4.000 126.577 122.820 -0.405 0.000 1.882 58 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 58 A C -0.445 176.890 177.584 -0.416 0.000 1.253 58 A CA 1.775 53.549 52.037 -0.439 0.000 0.664 58 A CB -1.397 17.374 19.000 -0.381 0.000 0.838 58 A HN 0.393 nan 8.150 nan 0.000 0.460 59 P HA -0.107 nan 4.420 nan 0.000 0.226 59 P C 1.186 178.333 177.300 -0.254 0.000 1.146 59 P CA 1.057 63.961 63.100 -0.326 0.000 0.773 59 P CB -0.212 31.334 31.700 -0.257 0.000 0.772 60 M N -1.321 118.080 119.600 -0.332 0.000 2.700 60 M HA -0.072 4.408 4.480 -0.001 0.000 0.249 60 M C 1.531 177.801 176.300 -0.050 0.000 1.082 60 M CA 1.470 56.698 55.300 -0.120 0.000 1.077 60 M CB -1.007 31.562 32.600 -0.052 0.000 1.477 60 M HN 0.107 nan 8.290 nan 0.000 0.529 61 T N -1.319 113.176 114.554 -0.099 0.000 2.881 61 T HA -0.076 4.274 4.350 -0.001 0.000 0.270 61 T C 1.557 176.249 174.700 -0.012 0.000 1.068 61 T CA 0.819 62.876 62.100 -0.071 0.000 1.131 61 T CB -0.508 68.288 68.868 -0.120 0.000 0.871 61 T HN 0.445 nan 8.240 nan 0.000 0.479 62 L N -0.571 120.658 121.223 0.011 0.000 2.465 62 L HA 0.189 4.529 4.340 -0.001 0.000 0.224 62 L C 1.292 178.273 176.870 0.185 0.000 1.145 62 L CA 0.411 55.303 54.840 0.086 0.000 0.834 62 L CB -0.331 41.769 42.059 0.068 0.000 0.944 62 L HN 0.252 nan 8.230 nan 0.000 0.451 63 L N -1.091 120.209 121.223 0.129 0.000 2.959 63 L HA 0.214 4.553 4.340 -0.001 0.000 0.259 63 L C 0.971 177.879 176.870 0.064 0.000 1.185 63 L CA 0.160 55.087 54.840 0.145 0.000 0.998 63 L CB -0.072 42.055 42.059 0.112 0.000 1.337 63 L HN 0.019 nan 8.230 nan 0.000 0.555 64 R N 0.925 121.450 120.500 0.041 0.000 2.486 64 R HA 0.210 4.550 4.340 -0.001 0.000 0.303 64 R C 1.164 177.463 176.300 -0.003 0.000 0.958 64 R CA 1.146 57.260 56.100 0.022 0.000 1.077 64 R CB -0.046 30.252 30.300 -0.003 0.000 0.921 64 R HN 0.433 nan 8.270 nan 0.000 0.406 65 G N 2.497 111.310 108.800 0.023 0.000 2.155 65 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.257 65 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.257 65 G C 0.515 175.397 174.900 -0.029 0.000 0.983 65 G CA 0.491 45.593 45.100 0.003 0.000 0.676 65 G HN 0.696 nan 8.290 nan 0.000 0.528 66 V N -3.527 116.364 119.914 -0.038 0.000 3.406 66 V HA 0.720 4.840 4.120 -0.001 0.000 0.263 66 V C 1.240 177.304 176.094 -0.051 0.000 1.172 66 V CA 1.466 63.710 62.300 -0.092 0.000 1.140 66 V CB 0.497 32.248 31.823 -0.120 0.000 0.784 66 V HN 1.768 nan 8.190 nan 0.000 0.467 67 A N 0.743 123.571 122.820 0.014 0.000 3.159 67 A HA 0.660 4.980 4.320 -0.001 0.000 0.330 67 A C -0.108 177.598 177.584 0.205 0.000 1.032 67 A CA -0.483 51.577 52.037 0.038 0.000 0.841 67 A CB 0.130 19.009 19.000 -0.202 0.000 1.093 67 A HN 0.383 nan 8.150 nan 0.000 0.478 68 E N 0.793 121.066 120.200 0.122 0.000 2.232 68 E HA 0.320 4.670 4.350 -0.001 0.000 0.265 68 E C -0.633 176.034 176.600 0.111 0.000 1.001 68 E CA -0.454 56.020 56.400 0.123 0.000 0.870 68 E CB 0.612 30.353 29.700 0.068 0.000 1.175 68 E HN 0.472 nan 8.360 nan 0.000 0.407 69 D N 0.675 121.135 120.400 0.100 0.000 2.697 69 D HA -0.209 4.431 4.640 -0.001 0.000 0.238 69 D C -0.534 175.826 176.300 0.099 0.000 1.152 69 D CA 0.839 54.889 54.000 0.082 0.000 0.666 69 D CB -1.239 39.595 40.800 0.057 0.000 1.037 69 D HN 0.225 nan 8.370 nan 0.000 0.423 70 L N -0.053 121.254 121.223 0.140 0.000 2.422 70 L HA 0.321 4.661 4.340 -0.001 0.000 0.264 70 L C 0.875 177.844 176.870 0.166 0.000 0.984 70 L CA -0.900 54.034 54.840 0.157 0.000 0.819 70 L CB 2.019 44.200 42.059 0.203 0.000 1.330 70 L HN 0.071 nan 8.230 nan 0.000 0.410 71 S N 0.551 116.339 115.700 0.146 0.000 2.589 71 S HA 0.116 4.585 4.470 -0.001 0.000 0.265 71 S C 0.954 175.685 174.600 0.219 0.000 1.342 71 S CA -0.276 58.019 58.200 0.157 0.000 1.005 71 S CB 0.616 63.898 63.200 0.136 0.000 0.909 71 S HN 0.557 nan 8.310 nan 0.000 0.555 72 F N 1.832 121.832 119.950 0.082 0.000 2.065 72 F HA -0.121 4.406 4.527 -0.001 0.000 0.298 72 F C 2.102 178.036 175.800 0.224 0.000 1.112 72 F CA 2.365 60.425 58.000 0.099 0.000 1.212 72 F CB -0.836 38.181 39.000 0.029 0.000 0.975 72 F HN 0.709 nan 8.300 nan 0.000 0.476 73 E N 0.406 120.636 120.200 0.049 0.000 2.110 73 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 73 E C 2.083 178.754 176.600 0.118 0.000 0.988 73 E CA 1.800 58.250 56.400 0.082 0.000 0.804 73 E CB -0.353 29.484 29.700 0.229 0.000 0.745 73 E HN 0.613 nan 8.360 nan 0.000 0.458 74 E N -0.542 119.727 120.200 0.115 0.000 2.047 74 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 74 E C 1.815 178.459 176.600 0.074 0.000 0.987 74 E CA 0.873 57.334 56.400 0.102 0.000 0.799 74 E CB -0.341 29.421 29.700 0.103 0.000 0.752 74 E HN 0.334 nan 8.360 nan 0.000 0.449 75 W N 1.671 122.910 121.300 -0.102 0.000 2.317 75 W HA -0.266 4.394 4.660 -0.001 0.000 0.318 75 W C 2.077 178.470 176.519 -0.209 0.000 1.227 75 W CA 1.610 58.884 57.345 -0.118 0.000 1.269 75 W CB -0.288 29.120 29.460 -0.087 0.000 1.155 75 W HN 0.103 nan 8.180 nan 0.000 0.484 76 L N -0.524 120.622 121.223 -0.128 0.000 2.071 76 L HA 0.047 4.386 4.340 -0.001 0.000 0.201 76 L C 2.242 178.768 176.870 -0.574 0.000 1.076 76 L CA 1.978 56.522 54.840 -0.494 0.000 0.755 76 L CB -1.372 40.248 42.059 -0.730 0.000 0.915 76 L HN 0.025 nan 8.230 nan 0.000 0.445 77 F N -1.317 118.549 119.950 -0.140 0.000 2.367 77 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 77 F C 2.744 178.484 175.800 -0.100 0.000 1.094 77 F CA 1.066 59.002 58.000 -0.107 0.000 1.409 77 F CB -0.506 38.448 39.000 -0.077 0.000 1.064 77 F HN 0.203 nan 8.300 nan 0.000 0.528 78 S N -0.815 114.904 115.700 0.032 0.000 2.460 78 S HA 0.011 4.480 4.470 -0.001 0.000 0.226 78 S C 2.167 176.723 174.600 -0.073 0.000 1.057 78 S CA 0.454 58.653 58.200 -0.002 0.000 0.948 78 S CB 0.064 63.274 63.200 0.016 0.000 0.822 78 S HN -0.007 nan 8.310 nan 0.000 0.512 79 K N 1.058 121.365 120.400 -0.155 0.000 2.102 79 K HA 0.251 4.571 4.320 -0.001 0.000 0.206 79 K C 2.148 178.582 176.600 -0.277 0.000 1.031 79 K CA 1.151 57.312 56.287 -0.211 0.000 0.962 79 K CB -1.058 31.274 32.500 -0.279 0.000 0.811 79 K HN 0.271 nan 8.250 nan 0.000 0.453 80 V N 2.565 122.191 119.914 -0.479 0.000 2.237 80 V HA -0.231 3.889 4.120 -0.001 0.000 0.245 80 V C 2.583 178.523 176.094 -0.257 0.000 1.046 80 V CA 1.576 63.596 62.300 -0.466 0.000 1.007 80 V CB -0.513 30.816 31.823 -0.825 0.000 0.638 80 V HN 0.220 nan 8.190 nan 0.000 0.445 81 L N -0.262 120.812 121.223 -0.248 0.000 2.043 81 L HA -0.173 4.167 4.340 -0.001 0.000 0.212 81 L C 0.106 176.902 176.870 -0.123 0.000 1.075 81 L CA 1.916 56.656 54.840 -0.168 0.000 0.752 81 L CB -1.942 40.033 42.059 -0.139 0.000 0.891 81 L HN 0.373 nan 8.230 nan 0.000 0.432 82 P HA -0.158 nan 4.420 nan 0.000 0.216 82 P C 1.847 179.107 177.300 -0.067 0.000 1.153 82 P CA 1.421 64.477 63.100 -0.073 0.000 0.848 82 P CB 0.074 31.742 31.700 -0.054 0.000 0.787 83 I N -0.330 120.205 120.570 -0.059 0.000 2.226 83 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 83 I C 2.116 178.221 176.117 -0.020 0.000 1.100 83 I CA 1.473 62.752 61.300 -0.036 0.000 1.374 83 I CB -0.692 37.313 38.000 0.009 0.000 1.057 83 I HN 0.013 nan 8.210 nan 0.000 0.413 84 E N 0.632 120.827 120.200 -0.008 0.000 2.204 84 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 84 E C 1.374 177.933 176.600 -0.068 0.000 0.990 84 E CA 0.911 57.351 56.400 0.066 0.000 0.821 84 E CB -0.135 29.594 29.700 0.048 0.000 0.750 84 E HN 0.457 nan 8.360 nan 0.000 0.477 85 D N 0.376 120.702 120.400 -0.123 0.000 2.310 85 D HA -0.087 4.552 4.640 -0.001 0.000 0.212 85 D C 1.451 177.708 176.300 -0.072 0.000 0.965 85 D CA 0.766 54.680 54.000 -0.143 0.000 0.879 85 D CB 0.060 40.788 40.800 -0.120 0.000 0.921 85 D HN 0.150 nan 8.370 nan 0.000 0.510 86 R N -0.333 120.143 120.500 -0.040 0.000 2.362 86 R HA 0.213 4.553 4.340 -0.001 0.000 0.227 86 R C 0.633 176.939 176.300 0.009 0.000 0.905 86 R CA -0.271 55.808 56.100 -0.034 0.000 1.067 86 R CB 0.698 30.951 30.300 -0.078 0.000 1.078 86 R HN 0.096 nan 8.270 nan 0.000 0.516 87 L N 3.159 124.444 121.223 0.103 0.000 2.385 87 L HA 0.079 4.419 4.340 -0.001 0.000 0.281 87 L C 0.538 177.587 176.870 0.299 0.000 1.106 87 L CA -0.067 54.891 54.840 0.197 0.000 0.856 87 L CB 0.835 43.098 42.059 0.340 0.000 1.186 87 L HN 0.112 nan 8.230 nan 0.000 0.453 88 T N -0.021 114.592 114.554 0.098 0.000 2.824 88 T HA 0.211 4.561 4.350 -0.001 0.000 0.277 88 T C 0.962 175.446 174.700 -0.360 0.000 0.975 88 T CA -0.526 61.518 62.100 -0.094 0.000 0.966 88 T CB 0.940 69.703 68.868 -0.174 0.000 1.054 88 T HN 0.685 nan 8.240 nan 0.000 0.533 89 E N 0.027 119.696 120.200 -0.885 0.000 2.077 89 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 89 E C 2.119 178.202 176.600 -0.861 0.000 0.989 89 E CA 1.013 56.648 56.400 -1.276 0.000 0.800 89 E CB -0.105 28.388 29.700 -2.011 0.000 0.746 89 E HN 0.692 nan 8.360 nan 0.000 0.452 90 K N 0.821 120.834 120.400 -0.646 0.000 2.057 90 K HA -0.129 4.191 4.320 -0.001 0.000 0.207 90 K C 2.151 178.804 176.600 0.087 0.000 1.049 90 K CA 1.186 57.335 56.287 -0.230 0.000 0.931 90 K CB 0.009 32.426 32.500 -0.138 0.000 0.714 90 K HN 0.085 nan 8.250 nan 0.000 0.440 91 M N 0.127 119.738 119.600 0.017 0.000 2.175 91 M HA -0.106 4.374 4.480 -0.001 0.000 0.264 91 M C 2.335 178.701 176.300 0.111 0.000 1.063 91 M CA 1.425 56.785 55.300 0.099 0.000 1.119 91 M CB -0.224 32.402 32.600 0.044 0.000 1.377 91 M HN 0.247 nan 8.290 nan 0.000 0.415 92 A N -0.225 122.645 122.820 0.083 0.000 1.902 92 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 92 A C 2.017 179.659 177.584 0.096 0.000 1.181 92 A CA 1.547 53.642 52.037 0.097 0.000 0.623 92 A CB -1.082 18.018 19.000 0.167 0.000 0.818 92 A HN 0.582 nan 8.150 nan 0.000 0.443 93 Y N -1.074 119.248 120.300 0.036 0.000 2.114 93 Y HA -0.259 4.291 4.550 -0.001 0.000 0.284 93 Y C 2.181 177.972 175.900 -0.182 0.000 1.143 93 Y CA 2.116 60.194 58.100 -0.036 0.000 1.135 93 Y CB -0.491 37.975 38.460 0.011 0.000 0.980 93 Y HN 0.351 nan 8.280 nan 0.000 0.499 94 Y N -0.147 120.251 120.300 0.164 0.000 2.314 94 Y HA -0.002 4.547 4.550 -0.001 0.000 0.293 94 Y C 2.648 178.491 175.900 -0.095 0.000 1.129 94 Y CA 1.238 59.358 58.100 0.033 0.000 1.201 94 Y CB -0.928 37.595 38.460 0.106 0.000 0.999 94 Y HN 0.223 nan 8.280 nan 0.000 0.541 95 G N -1.396 107.426 108.800 0.037 0.000 2.422 95 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.218 95 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.218 95 G C 1.687 176.475 174.900 -0.187 0.000 1.140 95 G CA 1.528 46.591 45.100 -0.061 0.000 0.775 95 G HN 0.318 nan 8.290 nan 0.000 0.545 96 T N 1.349 115.762 114.554 -0.235 0.000 2.942 96 T HA 0.049 4.399 4.350 -0.001 0.000 0.265 96 T C 2.326 176.775 174.700 -0.417 0.000 1.062 96 T CA 0.249 62.153 62.100 -0.327 0.000 1.139 96 T CB 0.036 68.740 68.868 -0.273 0.000 0.883 96 T HN 0.066 nan 8.240 nan 0.000 0.468 97 I N 1.285 121.601 120.570 -0.423 0.000 2.252 97 I HA -0.052 4.117 4.170 -0.001 0.000 0.245 97 I C 2.277 178.155 176.117 -0.398 0.000 1.102 97 I CA 0.970 62.023 61.300 -0.411 0.000 1.385 97 I CB -1.156 36.668 38.000 -0.294 0.000 1.064 97 I HN 0.231 nan 8.210 nan 0.000 0.414 98 L N 1.636 122.698 121.223 -0.269 0.000 2.017 98 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 98 L C 2.573 179.239 176.870 -0.339 0.000 1.073 98 L CA 2.232 56.923 54.840 -0.249 0.000 0.745 98 L CB -0.963 41.012 42.059 -0.140 0.000 0.894 98 L HN 0.178 nan 8.230 nan 0.000 0.432 99 A N -1.118 121.478 122.820 -0.375 0.000 1.940 99 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 99 A C 2.207 179.461 177.584 -0.550 0.000 1.176 99 A CA 1.960 53.735 52.037 -0.437 0.000 0.631 99 A CB -0.579 18.116 19.000 -0.507 0.000 0.814 99 A HN 0.692 nan 8.150 nan 0.000 0.446 100 Q N -1.196 118.180 119.800 -0.707 0.000 2.172 100 Q HA -0.036 4.304 4.340 -0.001 0.000 0.200 100 Q C 2.164 177.626 176.000 -0.897 0.000 0.964 100 Q CA 1.356 56.599 55.803 -0.933 0.000 0.855 100 Q CB -0.221 27.650 28.738 -1.445 0.000 0.918 100 Q HN 0.730 nan 8.270 nan 0.000 0.444 101 M N 0.272 119.402 119.600 -0.783 0.000 2.086 101 M HA -0.209 4.271 4.480 -0.001 0.000 0.261 101 M C 2.161 178.291 176.300 -0.282 0.000 1.067 101 M CA 1.506 56.497 55.300 -0.515 0.000 1.116 101 M CB -0.227 31.988 32.600 -0.642 0.000 1.348 101 M HN 0.202 nan 8.290 nan 0.000 0.407 102 E N 0.642 120.655 120.200 -0.312 0.000 2.051 102 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 102 E C 2.011 178.444 176.600 -0.278 0.000 0.991 102 E CA 1.305 57.544 56.400 -0.268 0.000 0.799 102 E CB -0.007 29.584 29.700 -0.183 0.000 0.748 102 E HN 0.459 nan 8.360 nan 0.000 0.449 103 M N 0.186 119.645 119.600 -0.235 0.000 2.213 103 M HA -0.127 4.352 4.480 -0.001 0.000 0.263 103 M C 2.396 178.633 176.300 -0.105 0.000 1.062 103 M CA 1.341 56.561 55.300 -0.134 0.000 1.105 103 M CB -0.111 32.364 32.600 -0.209 0.000 1.385 103 M HN 0.214 nan 8.290 nan 0.000 0.417 104 A N 1.243 123.983 122.820 -0.134 0.000 1.930 104 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 104 A C 2.044 179.477 177.584 -0.252 0.000 1.175 104 A CA 1.572 53.604 52.037 -0.009 0.000 0.627 104 A CB -0.709 18.462 19.000 0.285 0.000 0.815 104 A HN 0.637 nan 8.150 nan 0.000 0.443 105 R N -1.061 119.061 120.500 -0.630 0.000 2.339 105 R HA -0.000 4.340 4.340 -0.001 0.000 0.199 105 R C 0.160 176.158 176.300 -0.503 0.000 1.018 105 R CA 1.383 56.849 56.100 -1.055 0.000 1.036 105 R CB -0.619 29.038 30.300 -1.072 0.000 0.899 105 R HN 0.696 nan 8.270 nan 0.000 0.473 106 H N -0.425 118.609 119.070 -0.059 0.000 2.512 106 H HA 0.262 4.817 4.556 -0.000 0.000 0.276 106 H C 0.464 175.976 175.328 0.306 0.000 1.126 106 H CA -0.142 55.989 56.048 0.138 0.000 1.060 106 H CB 1.433 31.258 29.762 0.105 0.000 1.646 106 H HN 0.473 nan 8.280 nan 0.000 0.571 107 G N 1.566 110.552 108.800 0.310 0.000 2.179 107 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.257 107 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.257 107 G C 0.057 175.041 174.900 0.140 0.000 1.010 107 G CA 0.105 45.387 45.100 0.303 0.000 0.736 107 G HN 0.393 nan 8.290 nan 0.000 0.513 108 I N 0.243 120.849 120.570 0.061 0.000 2.365 108 I HA 0.473 4.642 4.170 -0.001 0.000 0.291 108 I C 1.383 177.421 176.117 -0.133 0.000 1.004 108 I CA 0.044 61.299 61.300 -0.075 0.000 1.311 108 I CB 1.558 39.525 38.000 -0.055 0.000 1.401 108 I HN 0.127 nan 8.210 nan 0.000 0.491 109 A N 4.849 127.435 122.820 -0.389 0.000 2.063 109 A HA 0.513 4.832 4.320 -0.001 0.000 0.211 109 A C 0.914 178.269 177.584 -0.382 0.000 1.177 109 A CA 0.521 52.321 52.037 -0.396 0.000 0.759 109 A CB 0.218 18.895 19.000 -0.538 0.000 0.857 109 A HN 0.778 nan 8.150 nan 0.000 0.468 110 G N -1.083 107.416 108.800 -0.503 0.000 2.690 110 G HA2 0.583 4.543 3.960 -0.001 0.000 0.293 110 G HA3 0.583 4.543 3.960 -0.001 0.000 0.293 110 G C -0.970 173.993 174.900 0.104 0.000 1.399 110 G CA -0.409 44.609 45.100 -0.135 0.000 0.890 110 G HN 0.756 nan 8.290 nan 0.000 0.485 111 F N -0.919 119.031 119.950 -0.001 0.000 2.645 111 F HA 0.790 5.316 4.527 -0.001 0.000 0.310 111 F C -1.227 174.576 175.800 0.006 0.000 1.102 111 F CA -1.512 56.479 58.000 -0.015 0.000 0.952 111 F CB 1.697 40.636 39.000 -0.102 0.000 1.326 111 F HN 0.400 nan 8.300 nan 0.000 0.456 112 V N 1.800 121.775 119.914 0.101 0.000 2.398 112 V HA 0.394 4.513 4.120 -0.001 0.000 0.286 112 V C -1.046 175.069 176.094 0.034 0.000 1.026 112 V CA -0.195 62.100 62.300 -0.008 0.000 0.868 112 V CB 1.187 33.012 31.823 0.003 0.000 0.982 112 V HN 0.848 nan 8.190 nan 0.000 0.443 113 D N 3.789 124.182 120.400 -0.010 0.000 2.340 113 D HA 0.664 5.303 4.640 -0.001 0.000 0.240 113 D C -0.617 175.682 176.300 -0.002 0.000 1.001 113 D CA -0.592 53.417 54.000 0.014 0.000 0.888 113 D CB 1.838 42.719 40.800 0.135 0.000 1.310 113 D HN 0.507 nan 8.370 nan 0.000 0.474 114 M N 4.401 124.030 119.600 0.049 0.000 2.098 114 M HA 0.310 4.790 4.480 -0.001 0.000 0.265 114 M C -2.207 174.394 176.300 0.502 0.000 0.940 114 M CA -0.418 55.011 55.300 0.213 0.000 1.007 114 M CB 0.617 33.347 32.600 0.216 0.000 1.823 114 M HN 0.635 nan 8.290 nan 0.000 0.453 115 Y N 3.003 123.396 120.300 0.156 0.000 3.044 115 Y HA 0.669 5.219 4.550 -0.000 0.000 0.295 115 Y C -1.732 174.256 175.900 0.146 0.000 1.754 115 Y CA -1.030 57.142 58.100 0.120 0.000 1.082 115 Y CB 1.193 39.602 38.460 -0.084 0.000 1.973 115 Y HN 0.584 nan 8.280 nan 0.000 0.427 116 F N -1.764 118.106 119.950 -0.133 0.000 2.654 116 F HA 0.583 5.109 4.527 -0.000 0.000 0.334 116 F C -0.016 175.802 175.800 0.030 0.000 1.078 116 F CA -1.155 56.741 58.000 -0.173 0.000 0.986 116 F CB 0.704 39.428 39.000 -0.460 0.000 1.362 116 F HN 0.657 nan 8.300 nan 0.000 0.498 117 H N -1.661 117.594 119.070 0.308 0.000 2.741 117 H HA -0.186 4.370 4.556 -0.001 0.000 0.305 117 H C 1.047 176.521 175.328 0.244 0.000 1.169 117 H CA 0.619 56.839 56.048 0.288 0.000 1.144 117 H CB -0.861 29.019 29.762 0.197 0.000 1.397 117 H HN 0.736 nan 8.280 nan 0.000 0.409 118 E N 0.977 121.332 120.200 0.259 0.000 2.160 118 E HA -0.148 4.202 4.350 -0.001 0.000 0.195 118 E C 1.691 178.291 176.600 0.001 0.000 0.991 118 E CA 1.661 58.129 56.400 0.113 0.000 0.810 118 E CB 0.119 29.861 29.700 0.069 0.000 0.742 118 E HN 0.706 nan 8.360 nan 0.000 0.466 119 E N -1.337 118.905 120.200 0.071 0.000 2.150 119 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 119 E C 1.536 177.995 176.600 -0.235 0.000 0.985 119 E CA 0.966 57.307 56.400 -0.097 0.000 0.814 119 E CB -0.201 29.543 29.700 0.073 0.000 0.752 119 E HN 0.437 nan 8.360 nan 0.000 0.466 120 W N 0.512 121.808 121.300 -0.007 0.000 2.518 120 W HA 0.074 4.734 4.660 -0.001 0.000 0.273 120 W C 1.902 178.405 176.519 -0.027 0.000 1.247 120 W CA 0.215 57.579 57.345 0.032 0.000 1.288 120 W CB -0.090 29.410 29.460 0.067 0.000 1.107 120 W HN 0.009 nan 8.180 nan 0.000 0.586 121 I N -0.012 120.604 120.570 0.076 0.000 2.252 121 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 121 I C 2.562 178.527 176.117 -0.254 0.000 1.102 121 I CA 1.311 62.575 61.300 -0.060 0.000 1.385 121 I CB -0.902 37.083 38.000 -0.024 0.000 1.064 121 I HN -0.069 nan 8.210 nan 0.000 0.414 122 A N 0.994 123.513 122.820 -0.502 0.000 1.902 122 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 122 A C 2.302 179.317 177.584 -0.949 0.000 1.181 122 A CA 1.650 53.091 52.037 -0.993 0.000 0.623 122 A CB -0.454 17.340 19.000 -2.009 0.000 0.818 122 A HN 0.313 nan 8.150 nan 0.000 0.443 123 K N -0.349 119.680 120.400 -0.618 0.000 2.063 123 K HA -0.088 4.232 4.320 -0.001 0.000 0.208 123 K C 2.267 178.861 176.600 -0.011 0.000 1.048 123 K CA 1.169 57.346 56.287 -0.183 0.000 0.928 123 K CB -0.320 32.185 32.500 0.007 0.000 0.713 123 K HN 0.455 nan 8.250 nan 0.000 0.442 124 A N 0.836 123.566 122.820 -0.152 0.000 1.930 124 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 124 A C 2.310 179.782 177.584 -0.187 0.000 1.175 124 A CA 1.237 53.000 52.037 -0.457 0.000 0.627 124 A CB -0.438 18.118 19.000 -0.740 0.000 0.815 124 A HN 0.075 nan 8.150 nan 0.000 0.443 125 V N 0.043 119.863 119.914 -0.157 0.000 2.453 125 V HA -0.192 3.928 4.120 -0.001 0.000 0.247 125 V C 2.595 178.705 176.094 0.026 0.000 1.048 125 V CA 1.976 64.250 62.300 -0.044 0.000 1.049 125 V CB -0.786 30.963 31.823 -0.124 0.000 0.672 125 V HN 0.677 nan 8.190 nan 0.000 0.457 126 R N 0.440 120.921 120.500 -0.032 0.000 2.070 126 R HA -0.198 4.142 4.340 -0.001 0.000 0.233 126 R C 1.966 178.369 176.300 0.172 0.000 1.137 126 R CA 2.275 58.453 56.100 0.130 0.000 0.945 126 R CB -0.367 29.964 30.300 0.052 0.000 0.845 126 R HN 0.477 nan 8.270 nan 0.000 0.430 127 D N -0.328 120.152 120.400 0.133 0.000 2.144 127 D HA -0.149 4.491 4.640 -0.001 0.000 0.200 127 D C 1.583 177.961 176.300 0.130 0.000 0.978 127 D CA 0.960 55.046 54.000 0.143 0.000 0.833 127 D CB -0.284 40.625 40.800 0.182 0.000 0.961 127 D HN 0.222 nan 8.370 nan 0.000 0.470 128 F N 0.063 120.010 119.950 -0.006 0.000 2.187 128 F HA 0.129 4.656 4.527 -0.000 0.000 0.295 128 F C 1.818 177.640 175.800 0.037 0.000 1.091 128 F CA 1.745 59.745 58.000 -0.000 0.000 1.308 128 F CB 0.404 39.372 39.000 -0.053 0.000 1.030 128 F HN 0.134 nan 8.300 nan 0.000 0.487 129 G N -0.352 108.577 108.800 0.215 0.000 2.296 129 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.188 129 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.188 129 G C 0.544 175.527 174.900 0.139 0.000 1.000 129 G CA 0.055 45.227 45.100 0.119 0.000 0.672 129 G HN 0.218 nan 8.290 nan 0.000 0.483 130 M N 0.397 120.134 119.600 0.229 0.000 2.036 130 M HA 0.480 4.960 4.480 -0.001 0.000 0.276 130 M C 1.080 177.357 176.300 -0.038 0.000 1.262 130 M CA 0.186 55.551 55.300 0.108 0.000 1.097 130 M CB 0.426 33.132 32.600 0.177 0.000 1.386 130 M HN 0.138 nan 8.290 nan 0.000 0.482 131 R N -0.168 120.238 120.500 -0.156 0.000 2.720 131 R HA 0.832 5.171 4.340 -0.001 0.000 0.272 131 R C -1.231 174.912 176.300 -0.262 0.000 0.991 131 R CA -0.727 55.200 56.100 -0.289 0.000 1.010 131 R CB 1.758 31.641 30.300 -0.694 0.000 1.141 131 R HN 0.777 nan 8.270 nan 0.000 0.494 132 A N 1.517 124.228 122.820 -0.181 0.000 2.594 132 A HA 0.408 4.728 4.320 -0.001 0.000 0.296 132 A C -1.990 175.531 177.584 -0.106 0.000 1.061 132 A CA -0.680 51.124 52.037 -0.388 0.000 0.689 132 A CB 1.535 19.985 19.000 -0.917 0.000 1.280 132 A HN 0.489 nan 8.150 nan 0.000 0.406 133 L N 2.688 123.836 121.223 -0.126 0.000 2.277 133 L HA 0.686 5.025 4.340 -0.001 0.000 0.284 133 L C -1.280 175.510 176.870 -0.133 0.000 1.028 133 L CA -0.207 54.611 54.840 -0.037 0.000 0.835 133 L CB 0.269 42.309 42.059 -0.031 0.000 1.215 133 L HN 0.565 nan 8.230 nan 0.000 0.425 134 L N 4.743 125.892 121.223 -0.124 0.000 2.307 134 L HA 0.734 5.074 4.340 -0.001 0.000 0.282 134 L C 0.302 177.112 176.870 -0.100 0.000 1.051 134 L CA -0.452 54.310 54.840 -0.130 0.000 0.804 134 L CB 1.706 43.662 42.059 -0.172 0.000 1.197 134 L HN 0.729 nan 8.230 nan 0.000 0.431 135 T N -0.205 114.308 114.554 -0.067 0.000 2.903 135 T HA 0.453 4.803 4.350 -0.001 0.000 0.299 135 T C -0.640 174.066 174.700 0.010 0.000 1.093 135 T CA -1.007 61.049 62.100 -0.074 0.000 1.002 135 T CB 2.396 71.227 68.868 -0.062 0.000 1.127 135 T HN 0.522 nan 8.240 nan 0.000 0.488 136 R N 0.855 121.367 120.500 0.019 0.000 2.368 136 R HA 0.546 4.886 4.340 -0.001 0.000 0.302 136 R C 0.602 176.989 176.300 0.146 0.000 1.002 136 R CA -0.420 55.741 56.100 0.102 0.000 0.929 136 R CB 0.902 31.265 30.300 0.104 0.000 1.073 136 R HN 1.011 nan 8.270 nan 0.000 0.464 137 G N 4.852 113.770 108.800 0.195 0.000 2.343 137 G HA2 0.281 4.240 3.960 -0.001 0.000 0.254 137 G HA3 0.281 4.240 3.960 -0.001 0.000 0.254 137 G C -0.254 174.768 174.900 0.204 0.000 1.277 137 G CA -0.320 44.918 45.100 0.229 0.000 0.909 137 G HN 0.459 nan 8.290 nan 0.000 0.502 138 L N 2.342 123.704 121.223 0.231 0.000 2.346 138 L HA 0.751 5.091 4.340 -0.001 0.000 0.276 138 L C -0.034 176.997 176.870 0.268 0.000 1.006 138 L CA -1.150 53.851 54.840 0.269 0.000 0.817 138 L CB 2.003 44.270 42.059 0.347 0.000 1.272 138 L HN 0.485 nan 8.230 nan 0.000 0.421 139 V N -1.072 118.926 119.914 0.141 0.000 3.120 139 V HA 0.774 4.894 4.120 -0.001 0.000 0.303 139 V C -1.703 174.238 176.094 -0.255 0.000 1.238 139 V CA -0.628 61.676 62.300 0.006 0.000 1.008 139 V CB 2.324 34.136 31.823 -0.018 0.000 1.064 139 V HN 0.872 nan 8.190 nan 0.000 0.434 140 D N 1.098 121.304 120.400 -0.324 0.000 2.610 140 D HA 0.606 5.245 4.640 -0.001 0.000 0.271 140 D C -1.272 174.900 176.300 -0.213 0.000 1.174 140 D CA -0.507 53.223 54.000 -0.451 0.000 0.949 140 D CB 2.078 42.329 40.800 -0.916 0.000 1.430 140 D HN 0.835 nan 8.370 nan 0.000 0.467 141 S N 0.378 115.972 115.700 -0.178 0.000 2.745 141 S HA 0.298 4.768 4.470 -0.001 0.000 0.283 141 S C -0.506 174.048 174.600 -0.078 0.000 1.170 141 S CA -0.500 57.644 58.200 -0.094 0.000 1.119 141 S CB -0.692 62.463 63.200 -0.075 0.000 1.035 141 S HN 0.476 nan 8.310 nan 0.000 0.483 142 N N 3.261 121.933 118.700 -0.047 0.000 2.727 142 N HA -0.217 4.522 4.740 -0.001 0.000 0.249 142 N C 0.930 176.426 175.510 -0.024 0.000 1.048 142 N CA 1.516 54.554 53.050 -0.021 0.000 0.714 142 N CB -1.458 37.020 38.487 -0.014 0.000 0.959 142 N HN 1.361 nan 8.380 nan 0.000 0.544 143 G N -0.704 108.067 108.800 -0.048 0.000 2.268 143 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.240 143 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.240 143 G C -0.292 174.558 174.900 -0.083 0.000 1.010 143 G CA 0.373 45.461 45.100 -0.020 0.000 0.618 143 G HN 0.599 nan 8.290 nan 0.000 0.516 144 D N 1.777 122.111 120.400 -0.110 0.000 2.339 144 D HA 0.436 5.076 4.640 -0.001 0.000 0.241 144 D C 0.817 177.002 176.300 -0.192 0.000 1.183 144 D CA 0.032 53.969 54.000 -0.105 0.000 0.859 144 D CB 0.743 41.501 40.800 -0.069 0.000 1.067 144 D HN 0.314 nan 8.370 nan 0.000 0.484 145 D N 2.349 122.632 120.400 -0.196 0.000 2.424 145 D HA 0.127 4.767 4.640 -0.001 0.000 0.220 145 D C 1.255 177.498 176.300 -0.096 0.000 1.150 145 D CA -0.012 53.842 54.000 -0.244 0.000 0.831 145 D CB -0.332 40.280 40.800 -0.313 0.000 0.981 145 D HN 0.537 nan 8.370 nan 0.000 0.500 146 G N 0.302 109.063 108.800 -0.066 0.000 2.258 146 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.274 146 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.274 146 G C 1.181 176.079 174.900 -0.003 0.000 1.021 146 G CA 0.513 45.590 45.100 -0.037 0.000 0.798 146 G HN 1.400 nan 8.290 nan 0.000 0.507 147 G N -1.498 107.315 108.800 0.022 0.000 2.143 147 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.248 147 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.248 147 G C 1.168 176.117 174.900 0.081 0.000 0.991 147 G CA 1.281 46.414 45.100 0.054 0.000 0.689 147 G HN 0.896 nan 8.290 nan 0.000 0.522 148 R N -0.910 119.642 120.500 0.087 0.000 2.062 148 R HA 0.113 4.453 4.340 -0.001 0.000 0.229 148 R C 2.630 179.037 176.300 0.178 0.000 1.128 148 R CA 1.486 57.659 56.100 0.122 0.000 0.960 148 R CB -0.321 30.048 30.300 0.115 0.000 0.855 148 R HN 0.450 nan 8.270 nan 0.000 0.432 149 L N 1.788 123.146 121.223 0.226 0.000 2.079 149 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 149 L C 2.212 179.203 176.870 0.202 0.000 1.081 149 L CA 1.840 56.821 54.840 0.236 0.000 0.752 149 L CB -0.493 41.691 42.059 0.208 0.000 0.896 149 L HN 0.190 nan 8.230 nan 0.000 0.433 150 E N -0.564 119.729 120.200 0.155 0.000 2.077 150 E HA -0.276 4.073 4.350 -0.001 0.000 0.193 150 E C 2.021 178.706 176.600 0.143 0.000 0.989 150 E CA 1.536 58.016 56.400 0.133 0.000 0.800 150 E CB -0.116 29.645 29.700 0.102 0.000 0.746 150 E HN 0.670 nan 8.360 nan 0.000 0.452 151 E N 0.132 120.417 120.200 0.140 0.000 2.110 151 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 151 E C 2.051 178.739 176.600 0.146 0.000 0.988 151 E CA 0.745 57.230 56.400 0.142 0.000 0.804 151 E CB -0.040 29.744 29.700 0.140 0.000 0.745 151 E HN 0.201 nan 8.360 nan 0.000 0.458 152 N N 0.717 119.510 118.700 0.154 0.000 2.166 152 N HA -0.133 4.607 4.740 -0.001 0.000 0.186 152 N C 1.781 177.361 175.510 0.117 0.000 1.019 152 N CA 0.905 54.013 53.050 0.097 0.000 0.856 152 N CB -0.026 38.547 38.487 0.142 0.000 0.993 152 N HN 0.152 nan 8.380 nan 0.000 0.426 153 L N 0.770 122.130 121.223 0.229 0.000 2.093 153 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 153 L C 2.550 179.555 176.870 0.225 0.000 1.085 153 L CA 0.968 55.960 54.840 0.253 0.000 0.755 153 L CB -0.324 41.863 42.059 0.213 0.000 0.904 153 L HN 0.157 nan 8.230 nan 0.000 0.435 154 K N 0.447 120.952 120.400 0.175 0.000 2.026 154 K HA -0.237 4.083 4.320 -0.001 0.000 0.208 154 K C 2.180 178.885 176.600 0.176 0.000 1.048 154 K CA 1.444 57.823 56.287 0.153 0.000 0.929 154 K CB -0.128 32.453 32.500 0.134 0.000 0.713 154 K HN 0.082 nan 8.250 nan 0.000 0.439 155 L N 0.609 121.944 121.223 0.187 0.000 2.042 155 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 155 L C 2.165 179.173 176.870 0.230 0.000 1.076 155 L CA 1.744 56.718 54.840 0.224 0.000 0.749 155 L CB -0.770 41.362 42.059 0.121 0.000 0.893 155 L HN 0.284 nan 8.230 nan 0.000 0.432 156 Y N 0.511 120.841 120.300 0.050 0.000 2.097 156 Y HA -0.344 4.206 4.550 -0.000 0.000 0.282 156 Y C 2.638 178.590 175.900 0.086 0.000 1.152 156 Y CA 2.283 60.408 58.100 0.042 0.000 1.136 156 Y CB -0.543 37.924 38.460 0.013 0.000 0.975 156 Y HN 0.515 nan 8.280 nan 0.000 0.498 157 N N -0.061 118.784 118.700 0.242 0.000 2.094 157 N HA -0.236 4.504 4.740 -0.001 0.000 0.191 157 N C 1.552 177.045 175.510 -0.028 0.000 1.023 157 N CA 2.231 55.352 53.050 0.119 0.000 0.857 157 N CB -0.199 38.367 38.487 0.131 0.000 1.013 157 N HN 0.561 nan 8.380 nan 0.000 0.426 158 E N -2.334 117.841 120.200 -0.043 0.000 2.318 158 E HA -0.033 4.317 4.350 -0.001 0.000 0.193 158 E C 0.674 176.996 176.600 -0.464 0.000 0.998 158 E CA 0.622 56.864 56.400 -0.264 0.000 0.859 158 E CB 0.065 29.588 29.700 -0.296 0.000 0.812 158 E HN 0.585 nan 8.360 nan 0.000 0.492 159 W N 0.095 121.327 121.300 -0.113 0.000 2.741 159 W HA 0.195 4.854 4.660 -0.001 0.000 0.317 159 W C 0.336 176.798 176.519 -0.096 0.000 1.029 159 W CA -0.822 56.457 57.345 -0.110 0.000 1.511 159 W CB 0.270 29.645 29.460 -0.142 0.000 1.025 159 W HN -0.170 nan 8.180 nan 0.000 0.554 160 N N 0.962 119.634 118.700 -0.047 0.000 2.411 160 N HA 0.301 5.041 4.740 -0.001 0.000 0.265 160 N C 1.122 176.644 175.510 0.020 0.000 1.266 160 N CA 2.161 55.140 53.050 -0.117 0.000 0.889 160 N CB 0.596 38.668 38.487 -0.691 0.000 1.069 160 N HN 0.296 nan 8.380 nan 0.000 0.476 161 G N 3.058 111.936 108.800 0.129 0.000 2.195 161 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.246 161 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.246 161 G C 0.225 175.120 174.900 -0.008 0.000 0.984 161 G CA -0.069 45.057 45.100 0.044 0.000 0.633 161 G HN 0.659 nan 8.290 nan 0.000 0.525 162 F N 2.620 122.545 119.950 -0.043 0.000 2.512 162 F HA 0.281 4.807 4.527 -0.001 0.000 0.406 162 F C 1.535 177.307 175.800 -0.047 0.000 0.990 162 F CA 1.556 59.553 58.000 -0.006 0.000 1.137 162 F CB -0.081 39.027 39.000 0.179 0.000 0.960 162 F HN 0.489 nan 8.300 nan 0.000 0.533 163 E N 3.330 123.107 120.200 -0.706 0.000 2.885 163 E HA -0.320 4.029 4.350 -0.001 0.000 0.267 163 E C 1.316 177.747 176.600 -0.281 0.000 1.100 163 E CA 0.699 56.770 56.400 -0.548 0.000 0.779 163 E CB -1.526 27.760 29.700 -0.690 0.000 1.383 163 E HN 1.275 nan 8.360 nan 0.000 0.443 164 G N -0.456 108.206 108.800 -0.230 0.000 2.189 164 G HA2 -0.415 3.544 3.960 -0.001 0.000 0.267 164 G HA3 -0.415 3.544 3.960 -0.001 0.000 0.267 164 G C 0.800 175.579 174.900 -0.202 0.000 0.975 164 G CA 0.874 45.856 45.100 -0.197 0.000 0.644 164 G HN 0.391 nan 8.290 nan 0.000 0.537 165 R N -0.832 119.554 120.500 -0.190 0.000 2.175 165 R HA 0.393 4.733 4.340 -0.001 0.000 0.202 165 R C 0.940 177.180 176.300 -0.100 0.000 1.018 165 R CA 0.534 56.530 56.100 -0.172 0.000 1.029 165 R CB 0.473 30.722 30.300 -0.085 0.000 0.959 165 R HN 0.456 nan 8.270 nan 0.000 0.480 166 I N 1.179 121.709 120.570 -0.067 0.000 2.474 166 I HA 0.313 4.483 4.170 -0.001 0.000 0.294 166 I C -0.970 175.072 176.117 -0.125 0.000 1.005 166 I CA -0.730 60.556 61.300 -0.023 0.000 1.113 166 I CB 1.587 39.655 38.000 0.114 0.000 1.289 166 I HN -0.213 nan 8.210 nan 0.000 0.436 167 F N 4.486 124.476 119.950 0.066 0.000 2.577 167 F HA 0.621 5.148 4.527 -0.000 0.000 0.318 167 F C -0.185 175.576 175.800 -0.065 0.000 1.065 167 F CA -1.008 56.974 58.000 -0.029 0.000 0.929 167 F CB 2.082 41.009 39.000 -0.121 0.000 1.237 167 F HN -0.066 nan 8.300 nan 0.000 0.468 168 V N 1.444 121.456 119.914 0.163 0.000 2.495 168 V HA 0.881 5.001 4.120 -0.001 0.000 0.298 168 V C 0.082 176.172 176.094 -0.007 0.000 1.031 168 V CA -0.522 61.804 62.300 0.042 0.000 0.871 168 V CB 1.401 33.252 31.823 0.047 0.000 0.988 168 V HN 0.908 nan 8.190 nan 0.000 0.432 169 G N 2.395 111.094 108.800 -0.168 0.000 3.042 169 G HA2 0.773 4.733 3.960 -0.001 0.000 0.278 169 G HA3 0.773 4.733 3.960 -0.001 0.000 0.278 169 G C -1.708 172.883 174.900 -0.515 0.000 1.371 169 G CA -0.603 44.357 45.100 -0.233 0.000 1.009 169 G HN 0.354 nan 8.290 nan 0.000 0.523 170 F N -0.422 119.479 119.950 -0.082 0.000 2.469 170 F HA 0.579 5.106 4.527 -0.000 0.000 0.332 170 F C 0.847 176.581 175.800 -0.110 0.000 1.103 170 F CA -0.603 57.338 58.000 -0.099 0.000 0.979 170 F CB 2.672 41.568 39.000 -0.174 0.000 1.137 170 F HN 0.517 nan 8.300 nan 0.000 0.463 171 G N 3.403 112.251 108.800 0.079 0.000 4.829 171 G HA2 0.295 4.255 3.960 -0.001 0.000 0.320 171 G HA3 0.295 4.255 3.960 -0.001 0.000 0.320 171 G C -2.868 172.079 174.900 0.077 0.000 1.445 171 G CA -1.403 43.726 45.100 0.048 0.000 1.151 171 G HN 0.244 nan 8.290 nan 0.000 0.572 172 P HA -0.108 nan 4.420 nan 0.000 0.263 172 P C 0.700 178.069 177.300 0.115 0.000 1.195 172 P CA 0.165 63.321 63.100 0.093 0.000 0.762 172 P CB 1.128 32.828 31.700 -0.001 0.000 0.799 173 H N 3.460 122.597 119.070 0.112 0.000 2.319 173 H HA -0.119 4.436 4.556 -0.001 0.000 0.297 173 H C 0.426 175.841 175.328 0.144 0.000 1.097 173 H CA 2.096 58.243 56.048 0.164 0.000 1.285 173 H CB 0.344 30.202 29.762 0.160 0.000 1.368 173 H HN 0.623 nan 8.280 nan 0.000 0.495 174 S N -2.461 113.342 115.700 0.171 0.000 2.645 174 S HA 0.200 4.670 4.470 -0.001 0.000 0.268 174 S C -2.690 171.875 174.600 -0.057 0.000 1.110 174 S CA -0.843 57.368 58.200 0.018 0.000 0.823 174 S CB 1.891 64.959 63.200 -0.219 0.000 1.091 174 S HN -0.043 nan 8.310 nan 0.000 0.466 175 P HA 0.117 nan 4.420 nan 0.000 0.237 175 P C 0.631 177.888 177.300 -0.073 0.000 1.178 175 P CA 0.566 63.527 63.100 -0.231 0.000 0.766 175 P CB -0.454 30.767 31.700 -0.798 0.000 0.876 176 Y N -3.377 116.976 120.300 0.090 0.000 2.481 176 Y HA 0.353 4.903 4.550 -0.001 0.000 0.258 176 Y C 1.420 177.411 175.900 0.151 0.000 1.103 176 Y CA 0.046 58.232 58.100 0.144 0.000 1.287 176 Y CB -0.800 37.803 38.460 0.237 0.000 1.108 176 Y HN -0.232 nan 8.280 nan 0.000 0.529 177 L N -0.142 121.024 121.223 -0.095 0.000 2.616 177 L HA 0.260 4.600 4.340 -0.001 0.000 0.229 177 L C -0.281 176.610 176.870 0.034 0.000 1.110 177 L CA -0.073 54.756 54.840 -0.018 0.000 0.884 177 L CB 0.356 42.311 42.059 -0.172 0.000 1.115 177 L HN 0.219 nan 8.230 nan 0.000 0.481 178 C N 0.374 119.716 119.300 0.071 0.000 2.369 178 C HA 0.432 4.892 4.460 -0.001 0.000 0.322 178 C C 1.037 176.105 174.990 0.130 0.000 1.258 178 C CA -1.198 57.917 59.018 0.162 0.000 1.487 178 C CB 1.329 29.221 27.740 0.254 0.000 2.165 178 C HN 0.451 nan 8.230 nan 0.000 0.483 179 S N 1.818 117.601 115.700 0.139 0.000 2.589 179 S HA 0.096 4.566 4.470 -0.001 0.000 0.265 179 S C 1.018 175.685 174.600 0.112 0.000 1.342 179 S CA -0.053 58.210 58.200 0.104 0.000 1.005 179 S CB 0.646 63.897 63.200 0.086 0.000 0.909 179 S HN 0.861 nan 8.310 nan 0.000 0.555 180 E N 0.723 120.962 120.200 0.065 0.000 2.085 180 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 180 E C 1.528 178.163 176.600 0.058 0.000 0.994 180 E CA 1.651 58.076 56.400 0.042 0.000 0.801 180 E CB -0.182 29.532 29.700 0.023 0.000 0.743 180 E HN 0.805 nan 8.360 nan 0.000 0.453 181 E N -0.269 119.976 120.200 0.073 0.000 2.072 181 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 181 E C 1.684 178.349 176.600 0.107 0.000 0.985 181 E CA 1.166 57.610 56.400 0.074 0.000 0.801 181 E CB -0.473 29.270 29.700 0.072 0.000 0.750 181 E HN 0.378 nan 8.360 nan 0.000 0.452 182 Y N 0.545 120.854 120.300 0.014 0.000 2.224 182 Y HA -0.143 4.406 4.550 -0.001 0.000 0.289 182 Y C 1.971 177.886 175.900 0.026 0.000 1.146 182 Y CA 0.936 59.044 58.100 0.014 0.000 1.182 182 Y CB -0.257 38.212 38.460 0.014 0.000 0.983 182 Y HN 0.078 nan 8.280 nan 0.000 0.524 183 L N 1.072 122.308 121.223 0.021 0.000 2.046 183 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 183 L C 2.511 179.419 176.870 0.063 0.000 1.077 183 L CA 2.014 56.859 54.840 0.008 0.000 0.747 183 L CB -0.928 41.196 42.059 0.108 0.000 0.896 183 L HN 0.238 nan 8.230 nan 0.000 0.432 184 K N -0.695 119.727 120.400 0.036 0.000 2.057 184 K HA -0.240 4.080 4.320 -0.001 0.000 0.207 184 K C 2.406 178.997 176.600 -0.016 0.000 1.049 184 K CA 1.473 57.780 56.287 0.033 0.000 0.931 184 K CB -0.157 32.344 32.500 0.001 0.000 0.714 184 K HN 0.245 nan 8.250 nan 0.000 0.440 185 R N 0.367 120.812 120.500 -0.091 0.000 2.081 185 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 185 R C 2.068 178.211 176.300 -0.261 0.000 1.131 185 R CA 1.392 57.401 56.100 -0.151 0.000 0.960 185 R CB -0.116 30.100 30.300 -0.140 0.000 0.856 185 R HN 0.070 nan 8.270 nan 0.000 0.436 186 V N 0.507 120.193 119.914 -0.379 0.000 2.307 186 V HA -0.221 3.899 4.120 -0.001 0.000 0.245 186 V C 2.000 177.829 176.094 -0.442 0.000 1.045 186 V CA 1.732 63.738 62.300 -0.490 0.000 1.024 186 V CB -0.569 30.932 31.823 -0.536 0.000 0.651 186 V HN 0.238 nan 8.190 nan 0.000 0.449 187 F N 0.623 120.420 119.950 -0.256 0.000 2.171 187 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 187 F C 2.312 177.991 175.800 -0.201 0.000 1.090 187 F CA 1.745 59.632 58.000 -0.189 0.000 1.293 187 F CB -0.413 38.515 39.000 -0.120 0.000 1.013 187 F HN 0.216 nan 8.300 nan 0.000 0.486 188 D N -0.768 119.615 120.400 -0.028 0.000 2.144 188 D HA -0.123 4.517 4.640 -0.001 0.000 0.200 188 D C 2.257 178.450 176.300 -0.177 0.000 0.978 188 D CA 1.710 55.664 54.000 -0.078 0.000 0.833 188 D CB -0.618 40.138 40.800 -0.073 0.000 0.961 188 D HN 0.215 nan 8.370 nan 0.000 0.470 189 T N 0.870 115.238 114.554 -0.310 0.000 2.674 189 T HA -0.105 4.245 4.350 -0.001 0.000 0.265 189 T C 2.081 176.465 174.700 -0.528 0.000 1.039 189 T CA 1.570 63.397 62.100 -0.455 0.000 1.150 189 T CB -0.332 68.128 68.868 -0.679 0.000 0.864 189 T HN 0.181 nan 8.240 nan 0.000 0.427 190 A N 1.550 123.997 122.820 -0.621 0.000 1.908 190 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 190 A C 2.248 179.733 177.584 -0.165 0.000 1.181 190 A CA 1.926 53.730 52.037 -0.389 0.000 0.627 190 A CB -0.573 18.251 19.000 -0.293 0.000 0.818 190 A HN 0.452 nan 8.150 nan 0.000 0.445 191 K N -0.248 120.081 120.400 -0.119 0.000 2.032 191 K HA -0.128 4.191 4.320 -0.001 0.000 0.209 191 K C 2.307 178.868 176.600 -0.066 0.000 1.048 191 K CA 1.629 57.888 56.287 -0.047 0.000 0.927 191 K CB -0.186 32.306 32.500 -0.013 0.000 0.712 191 K HN 0.468 nan 8.250 nan 0.000 0.441 192 S N 1.047 116.685 115.700 -0.103 0.000 2.382 192 S HA -0.084 4.386 4.470 -0.001 0.000 0.228 192 S C 1.671 176.222 174.600 -0.082 0.000 1.027 192 S CA 1.032 59.179 58.200 -0.088 0.000 0.991 192 S CB -0.073 63.063 63.200 -0.107 0.000 0.823 192 S HN 0.275 nan 8.310 nan 0.000 0.469 193 L N 1.230 122.380 121.223 -0.122 0.000 2.592 193 L HA 0.187 4.527 4.340 -0.001 0.000 0.227 193 L C -0.113 176.742 176.870 -0.024 0.000 1.127 193 L CA -0.085 54.693 54.840 -0.104 0.000 0.884 193 L CB -0.482 41.397 42.059 -0.300 0.000 1.065 193 L HN 0.240 nan 8.230 nan 0.000 0.457 194 N N 0.615 119.297 118.700 -0.031 0.000 2.738 194 N HA -0.157 4.583 4.740 -0.001 0.000 0.249 194 N C -0.121 175.383 175.510 -0.009 0.000 1.047 194 N CA 0.890 53.929 53.050 -0.018 0.000 0.707 194 N CB -0.933 37.544 38.487 -0.016 0.000 0.937 194 N HN 0.402 nan 8.380 nan 0.000 0.545 195 A N 0.159 122.991 122.820 0.020 0.000 2.337 195 A HA 0.827 5.146 4.320 -0.001 0.000 0.331 195 A C -2.135 175.471 177.584 0.038 0.000 1.137 195 A CA -1.318 50.759 52.037 0.068 0.000 0.807 195 A CB 1.756 20.894 19.000 0.229 0.000 1.250 195 A HN 0.017 nan 8.150 nan 0.000 0.468 196 P HA 0.410 nan 4.420 nan 0.000 0.274 196 P C -0.807 176.484 177.300 -0.014 0.000 1.246 196 P CA -0.162 62.909 63.100 -0.048 0.000 0.795 196 P CB 1.086 32.707 31.700 -0.131 0.000 1.006 197 V N 0.443 120.316 119.914 -0.069 0.000 2.656 197 V HA 0.482 4.602 4.120 -0.001 0.000 0.307 197 V C 0.113 176.140 176.094 -0.112 0.000 1.051 197 V CA -0.272 61.947 62.300 -0.135 0.000 0.893 197 V CB 2.048 33.634 31.823 -0.396 0.000 0.999 197 V HN 0.671 nan 8.190 nan 0.000 0.426 198 T N 5.516 120.005 114.554 -0.108 0.000 2.861 198 T HA 0.779 5.128 4.350 -0.001 0.000 0.287 198 T C -1.235 173.388 174.700 -0.130 0.000 1.003 198 T CA -0.269 61.764 62.100 -0.113 0.000 0.977 198 T CB 0.971 69.788 68.868 -0.085 0.000 0.996 198 T HN 0.626 nan 8.240 nan 0.000 0.448 199 I N 2.890 123.364 120.570 -0.161 0.000 2.918 199 I HA 0.459 4.629 4.170 -0.001 0.000 0.301 199 I C -1.203 174.790 176.117 -0.207 0.000 1.312 199 I CA -0.980 60.225 61.300 -0.159 0.000 1.007 199 I CB 2.090 40.079 38.000 -0.018 0.000 1.281 199 I HN 0.786 nan 8.210 nan 0.000 0.440 200 H N 5.726 124.765 119.070 -0.052 0.000 2.800 200 H HA 0.460 5.015 4.556 -0.001 0.000 0.291 200 H C -0.956 174.448 175.328 0.127 0.000 1.076 200 H CA -0.210 55.848 56.048 0.016 0.000 1.452 200 H CB 1.122 30.909 29.762 0.042 0.000 1.461 200 H HN 0.246 nan 8.280 nan 0.000 0.488 201 L N 4.358 125.754 121.223 0.289 0.000 2.333 201 L HA 0.199 4.538 4.340 -0.001 0.000 0.280 201 L C -0.757 176.366 176.870 0.422 0.000 1.004 201 L CA -0.367 54.654 54.840 0.301 0.000 0.820 201 L CB 0.298 42.542 42.059 0.308 0.000 1.247 201 L HN 0.747 nan 8.230 nan 0.000 0.416 202 Y N 2.397 122.948 120.300 0.419 0.000 3.108 202 Y HA -0.328 4.221 4.550 -0.001 0.000 0.208 202 Y C 1.609 177.673 175.900 0.273 0.000 1.245 202 Y CA 1.271 59.538 58.100 0.278 0.000 1.171 202 Y CB -0.873 37.721 38.460 0.223 0.000 1.331 202 Y HN 0.787 nan 8.280 nan 0.000 0.534 203 E N 0.610 121.010 120.200 0.333 0.000 2.106 203 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 203 E C 1.220 177.849 176.600 0.047 0.000 0.984 203 E CA 1.262 57.715 56.400 0.088 0.000 0.806 203 E CB 0.287 29.888 29.700 -0.165 0.000 0.750 203 E HN 0.490 nan 8.360 nan 0.000 0.458 204 T N -2.205 112.357 114.554 0.013 0.000 2.950 204 T HA 0.245 4.595 4.350 -0.001 0.000 0.288 204 T C 1.058 175.576 174.700 -0.303 0.000 1.035 204 T CA -0.212 61.815 62.100 -0.121 0.000 1.028 204 T CB 1.632 70.341 68.868 -0.265 0.000 1.109 204 T HN 0.050 nan 8.240 nan 0.000 0.514 205 S N 0.649 115.995 115.700 -0.590 0.000 2.447 205 S HA -0.086 4.383 4.470 -0.001 0.000 0.233 205 S C 1.632 176.036 174.600 -0.327 0.000 1.006 205 S CA 0.368 58.115 58.200 -0.754 0.000 0.957 205 S CB -0.604 62.291 63.200 -0.507 0.000 0.773 205 S HN 0.768 nan 8.310 nan 0.000 0.507 206 K N 1.301 121.578 120.400 -0.205 0.000 2.209 206 K HA 0.009 4.329 4.320 -0.001 0.000 0.204 206 K C 0.271 176.813 176.600 -0.096 0.000 1.048 206 K CA 0.811 57.027 56.287 -0.119 0.000 0.940 206 K CB -0.122 32.325 32.500 -0.090 0.000 0.729 206 K HN 0.588 nan 8.250 nan 0.000 0.451 207 E N 1.521 121.655 120.200 -0.111 0.000 2.220 207 E HA -0.028 4.322 4.350 -0.001 0.000 0.272 207 E C -0.345 176.136 176.600 -0.198 0.000 1.099 207 E CA 0.248 56.566 56.400 -0.137 0.000 0.907 207 E CB 0.520 30.169 29.700 -0.085 0.000 1.022 207 E HN 0.205 nan 8.360 nan 0.000 0.428 208 E N 2.451 122.541 120.200 -0.184 0.000 2.876 208 E HA 0.038 4.388 4.350 -0.001 0.000 0.208 208 E C -0.779 175.828 176.600 0.011 0.000 0.981 208 E CA -0.299 56.060 56.400 -0.068 0.000 1.174 208 E CB 0.258 29.949 29.700 -0.015 0.000 1.047 208 E HN 0.472 nan 8.360 nan 0.000 0.477 209 Y N 0.101 120.541 120.300 0.233 0.000 2.426 209 Y HA 0.247 4.797 4.550 -0.001 0.000 0.344 209 Y C 0.380 176.430 175.900 0.250 0.000 1.256 209 Y CA -1.048 57.157 58.100 0.176 0.000 1.451 209 Y CB 0.274 38.793 38.460 0.099 0.000 1.342 209 Y HN -0.199 nan 8.280 nan 0.000 0.600 210 D N 2.097 122.738 120.400 0.401 0.000 2.304 210 D HA 0.053 4.692 4.640 -0.001 0.000 0.250 210 D C 0.631 177.093 176.300 0.270 0.000 1.107 210 D CA -0.303 53.904 54.000 0.345 0.000 0.885 210 D CB 2.162 43.111 40.800 0.248 0.000 1.192 210 D HN 0.656 nan 8.370 nan 0.000 0.436 211 L N 2.707 123.972 121.223 0.070 0.000 2.465 211 L HA -0.100 4.240 4.340 -0.001 0.000 0.224 211 L C 1.692 178.457 176.870 -0.177 0.000 1.145 211 L CA 1.459 56.178 54.840 -0.201 0.000 0.834 211 L CB -0.250 41.283 42.059 -0.876 0.000 0.944 211 L HN 0.291 nan 8.230 nan 0.000 0.451 212 E N -0.265 119.910 120.200 -0.042 0.000 2.110 212 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 212 E C 1.648 178.230 176.600 -0.030 0.000 0.988 212 E CA 1.387 57.786 56.400 -0.002 0.000 0.804 212 E CB -0.222 29.523 29.700 0.075 0.000 0.745 212 E HN 0.494 nan 8.360 nan 0.000 0.458 213 D N -0.312 120.081 120.400 -0.011 0.000 2.351 213 D HA -0.107 4.533 4.640 -0.001 0.000 0.216 213 D C 1.533 177.775 176.300 -0.096 0.000 0.968 213 D CA 0.857 54.836 54.000 -0.034 0.000 0.899 213 D CB 0.187 40.982 40.800 -0.008 0.000 0.907 213 D HN 0.313 nan 8.370 nan 0.000 0.514 214 I N -0.405 120.086 120.570 -0.132 0.000 3.883 214 I HA -0.016 4.154 4.170 -0.001 0.000 0.305 214 I C 2.131 178.080 176.117 -0.280 0.000 1.247 214 I CA 0.025 61.188 61.300 -0.229 0.000 1.350 214 I CB 0.445 38.334 38.000 -0.185 0.000 1.194 214 I HN -0.149 nan 8.210 nan 0.000 0.441 215 L N 1.678 122.787 121.223 -0.190 0.000 2.265 215 L HA -0.149 4.191 4.340 -0.001 0.000 0.215 215 L C 1.203 177.987 176.870 -0.144 0.000 1.117 215 L CA 1.476 56.218 54.840 -0.163 0.000 0.782 215 L CB -0.450 41.539 42.059 -0.117 0.000 0.914 215 L HN 0.512 nan 8.230 nan 0.000 0.441 216 N N -0.262 118.357 118.700 -0.135 0.000 2.401 216 N HA 0.122 4.862 4.740 -0.001 0.000 0.264 216 N C 0.854 176.289 175.510 -0.125 0.000 1.238 216 N CA -0.024 52.963 53.050 -0.105 0.000 0.889 216 N CB 0.464 38.915 38.487 -0.060 0.000 1.196 216 N HN 0.417 nan 8.380 nan 0.000 0.511 217 I N -5.852 114.594 120.570 -0.206 0.000 4.442 217 I HA 0.578 4.748 4.170 -0.001 0.000 0.331 217 I C 0.764 176.720 176.117 -0.269 0.000 1.364 217 I CA -0.323 60.856 61.300 -0.201 0.000 1.207 217 I CB 1.009 38.890 38.000 -0.198 0.000 1.298 217 I HN 0.095 nan 8.210 nan 0.000 0.463 218 G N 1.514 110.117 108.800 -0.328 0.000 3.033 218 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.208 218 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.208 218 G C 0.495 175.239 174.900 -0.260 0.000 1.006 218 G CA 0.178 45.132 45.100 -0.244 0.000 0.808 218 G HN 0.158 nan 8.290 nan 0.000 0.499 219 L N 1.590 122.494 121.223 -0.533 0.000 2.043 219 L HA 0.115 4.455 4.340 -0.001 0.000 0.212 219 L C 2.574 179.445 176.870 0.003 0.000 1.075 219 L CA 2.889 57.608 54.840 -0.202 0.000 0.752 219 L CB -0.320 41.619 42.059 -0.199 0.000 0.891 219 L HN 0.341 nan 8.230 nan 0.000 0.432 220 K N -0.821 119.552 120.400 -0.045 0.000 2.283 220 K HA -0.134 4.186 4.320 -0.001 0.000 0.202 220 K C 1.556 178.176 176.600 0.033 0.000 1.048 220 K CA 1.514 57.802 56.287 0.001 0.000 0.948 220 K CB -0.006 32.481 32.500 -0.022 0.000 0.742 220 K HN 0.534 nan 8.250 nan 0.000 0.458 221 E N -0.104 120.118 120.200 0.036 0.000 2.473 221 E HA 0.056 4.406 4.350 -0.001 0.000 0.204 221 E C -0.477 176.176 176.600 0.088 0.000 0.994 221 E CA -0.083 56.348 56.400 0.052 0.000 0.945 221 E CB 1.067 30.784 29.700 0.028 0.000 0.990 221 E HN -0.100 nan 8.360 nan 0.000 0.493 222 V N 2.308 122.312 119.914 0.151 0.000 2.398 222 V HA 0.140 4.260 4.120 -0.001 0.000 0.286 222 V C 0.031 176.232 176.094 0.178 0.000 1.026 222 V CA -0.952 61.455 62.300 0.178 0.000 0.868 222 V CB 1.523 33.532 31.823 0.311 0.000 0.982 222 V HN 0.032 nan 8.190 nan 0.000 0.443 223 K N 3.011 123.473 120.400 0.105 0.000 2.453 223 K HA 0.180 4.499 4.320 -0.001 0.000 0.280 223 K C -0.337 176.317 176.600 0.089 0.000 1.045 223 K CA 0.374 56.724 56.287 0.105 0.000 1.059 223 K CB 0.191 32.688 32.500 -0.005 0.000 0.901 223 K HN 0.837 nan 8.250 nan 0.000 0.475 224 T N 5.410 120.049 114.554 0.141 0.000 2.848 224 T HA 0.402 4.751 4.350 -0.001 0.000 0.285 224 T C -0.227 174.422 174.700 -0.085 0.000 0.995 224 T CA -0.625 61.509 62.100 0.057 0.000 0.970 224 T CB 0.818 69.801 68.868 0.192 0.000 0.976 224 T HN 0.453 nan 8.240 nan 0.000 0.441 225 I N 2.832 123.318 120.570 -0.140 0.000 2.337 225 I HA 0.479 4.649 4.170 -0.001 0.000 0.285 225 I C 0.321 176.290 176.117 -0.246 0.000 1.041 225 I CA -0.805 60.384 61.300 -0.186 0.000 1.199 225 I CB 0.918 38.827 38.000 -0.152 0.000 1.370 225 I HN 0.679 nan 8.210 nan 0.000 0.470 226 A N 5.926 128.517 122.820 -0.381 0.000 2.294 226 A HA 0.756 5.075 4.320 -0.001 0.000 0.316 226 A C 0.411 177.854 177.584 -0.235 0.000 1.359 226 A CA -0.419 51.452 52.037 -0.277 0.000 0.956 226 A CB 0.364 19.198 19.000 -0.276 0.000 1.155 226 A HN 0.753 nan 8.150 nan 0.000 0.544 227 A N 2.975 125.588 122.820 -0.344 0.000 2.407 227 A HA 0.577 4.897 4.320 -0.001 0.000 0.248 227 A C 1.063 178.457 177.584 -0.316 0.000 1.082 227 A CA 0.446 52.134 52.037 -0.581 0.000 0.785 227 A CB -0.174 18.034 19.000 -1.320 0.000 1.020 227 A HN 1.257 nan 8.150 nan 0.000 0.489 228 H N 0.050 119.117 119.070 -0.005 0.000 4.606 228 H HA -0.242 4.314 4.556 -0.001 0.000 0.074 228 H C 1.229 176.627 175.328 0.116 0.000 0.615 228 H CA 0.937 57.031 56.048 0.075 0.000 1.004 228 H CB -1.967 27.848 29.762 0.089 0.000 0.715 228 H HN 1.499 nan 8.280 nan 0.000 0.824 229 C N 0.678 120.173 119.300 0.324 0.000 4.331 229 C HA -0.150 4.309 4.460 -0.001 0.000 0.293 229 C C 2.450 177.545 174.990 0.175 0.000 1.436 229 C CA 0.525 59.725 59.018 0.305 0.000 1.993 229 C CB -2.761 25.128 27.740 0.248 0.000 1.266 229 C HN 0.539 nan 8.230 nan 0.000 0.795 230 V N -0.455 119.523 119.914 0.106 0.000 2.332 230 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 230 V C 1.928 177.801 176.094 -0.368 0.000 1.055 230 V CA 2.338 64.537 62.300 -0.168 0.000 1.038 230 V CB -0.362 31.260 31.823 -0.335 0.000 0.651 230 V HN 0.757 nan 8.190 nan 0.000 0.450 231 H N -0.776 118.351 119.070 0.096 0.000 2.488 231 H HA 0.313 4.869 4.556 -0.001 0.000 0.294 231 H C 0.289 175.451 175.328 -0.276 0.000 1.088 231 H CA -0.690 55.342 56.048 -0.027 0.000 1.086 231 H CB 0.364 30.125 29.762 -0.003 0.000 1.569 231 H HN 0.270 nan 8.280 nan 0.000 0.548 232 L N 3.611 124.767 121.223 -0.113 0.000 2.500 232 L HA 0.217 4.557 4.340 -0.001 0.000 0.272 232 L C -2.345 174.464 176.870 -0.103 0.000 1.149 232 L CA -1.412 53.269 54.840 -0.265 0.000 0.897 232 L CB 0.468 42.657 42.059 0.218 0.000 1.178 232 L HN -0.136 nan 8.230 nan 0.000 0.473 233 P HA -0.030 nan 4.420 nan 0.000 0.261 233 P C 0.284 177.367 177.300 -0.360 0.000 1.183 233 P CA 0.249 63.228 63.100 -0.201 0.000 0.761 233 P CB 0.504 32.117 31.700 -0.146 0.000 0.785 234 E N 3.955 123.713 120.200 -0.737 0.000 2.267 234 E HA -0.249 4.100 4.350 -0.001 0.000 0.197 234 E C 1.620 177.634 176.600 -0.976 0.000 0.998 234 E CA 0.746 56.194 56.400 -1.586 0.000 0.830 234 E CB 0.070 29.102 29.700 -1.114 0.000 0.751 234 E HN 0.362 nan 8.360 nan 0.000 0.491 235 R N -0.795 119.328 120.500 -0.629 0.000 2.237 235 R HA -0.147 4.192 4.340 -0.001 0.000 0.219 235 R C 0.984 177.030 176.300 -0.422 0.000 1.080 235 R CA 1.295 57.093 56.100 -0.504 0.000 0.995 235 R CB -0.343 29.619 30.300 -0.562 0.000 0.875 235 R HN 0.231 nan 8.270 nan 0.000 0.462 236 Y N -0.629 119.604 120.300 -0.113 0.000 2.497 236 Y HA 0.174 4.723 4.550 -0.001 0.000 0.265 236 Y C 1.538 177.521 175.900 0.139 0.000 1.111 236 Y CA -0.591 57.516 58.100 0.011 0.000 1.288 236 Y CB -0.070 38.401 38.460 0.018 0.000 1.082 236 Y HN -0.140 nan 8.280 nan 0.000 0.536 237 F N 0.395 120.361 119.950 0.026 0.000 2.115 237 F HA -0.232 4.295 4.527 -0.000 0.000 0.300 237 F C 2.453 178.295 175.800 0.071 0.000 1.092 237 F CA 1.147 59.144 58.000 -0.005 0.000 1.245 237 F CB -1.467 37.434 39.000 -0.164 0.000 0.995 237 F HN 0.109 nan 8.300 nan 0.000 0.481 238 G N -0.472 108.515 108.800 0.311 0.000 2.459 238 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 238 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 238 G C 1.945 176.906 174.900 0.101 0.000 1.183 238 G CA 1.204 46.413 45.100 0.180 0.000 0.776 238 G HN 0.363 nan 8.290 nan 0.000 0.552 239 V N 0.649 120.617 119.914 0.090 0.000 2.667 239 V HA 0.084 4.204 4.120 -0.001 0.000 0.252 239 V C 2.620 178.709 176.094 -0.009 0.000 1.065 239 V CA 1.199 63.525 62.300 0.044 0.000 1.083 239 V CB -0.171 31.688 31.823 0.060 0.000 0.692 239 V HN 0.391 nan 8.190 nan 0.000 0.468 240 L N -0.026 121.171 121.223 -0.043 0.000 2.478 240 L HA -0.038 4.301 4.340 -0.001 0.000 0.223 240 L C 2.406 179.241 176.870 -0.059 0.000 1.140 240 L CA 1.243 55.980 54.840 -0.173 0.000 0.842 240 L CB -0.607 41.208 42.059 -0.407 0.000 0.953 240 L HN 0.345 nan 8.230 nan 0.000 0.452 241 K N 0.468 120.864 120.400 -0.007 0.000 2.057 241 K HA -0.176 4.143 4.320 -0.001 0.000 0.207 241 K C 0.845 177.438 176.600 -0.011 0.000 1.049 241 K CA 1.556 57.844 56.287 0.001 0.000 0.931 241 K CB 0.176 32.694 32.500 0.031 0.000 0.714 241 K HN 0.255 nan 8.250 nan 0.000 0.440 242 D N 0.801 121.199 120.400 -0.002 0.000 2.363 242 D HA 0.115 4.755 4.640 -0.001 0.000 0.214 242 D C 0.460 176.766 176.300 0.010 0.000 1.093 242 D CA 0.037 54.037 54.000 0.001 0.000 0.837 242 D CB 0.251 41.055 40.800 0.008 0.000 0.948 242 D HN 0.374 nan 8.370 nan 0.000 0.507 243 I N -2.129 118.452 120.570 0.019 0.000 2.707 243 I HA 0.428 4.598 4.170 -0.001 0.000 0.309 243 I C -2.284 173.881 176.117 0.080 0.000 1.001 243 I CA -2.617 58.715 61.300 0.053 0.000 1.129 243 I CB 1.806 39.844 38.000 0.063 0.000 1.308 243 I HN -0.379 nan 8.210 nan 0.000 0.466 244 P HA 0.056 nan 4.420 nan 0.000 0.232 244 P C -0.835 176.649 177.300 0.307 0.000 1.738 244 P CA 0.365 63.589 63.100 0.207 0.000 0.948 244 P CB -0.779 31.063 31.700 0.237 0.000 1.943 245 F N 1.953 121.894 119.950 -0.015 0.000 2.385 245 F HA 0.467 4.994 4.527 -0.000 0.000 0.360 245 F C -0.835 174.895 175.800 -0.115 0.000 1.122 245 F CA -1.033 56.988 58.000 0.036 0.000 1.090 245 F CB 0.606 39.604 39.000 -0.003 0.000 1.150 245 F HN -0.126 nan 8.300 nan 0.000 0.472 246 F N 6.123 125.836 119.950 -0.394 0.000 2.427 246 F HA 0.443 4.970 4.527 -0.000 0.000 0.348 246 F C -0.378 175.161 175.800 -0.434 0.000 1.125 246 F CA -1.165 56.664 58.000 -0.285 0.000 0.989 246 F CB 1.459 40.345 39.000 -0.190 0.000 1.165 246 F HN 0.046 nan 8.300 nan 0.000 0.442 247 V N 2.669 122.496 119.914 -0.145 0.000 2.555 247 V HA 0.137 4.257 4.120 -0.001 0.000 0.286 247 V C 0.197 176.267 176.094 -0.041 0.000 1.044 247 V CA -0.122 62.107 62.300 -0.118 0.000 1.026 247 V CB 1.485 33.299 31.823 -0.015 0.000 0.981 247 V HN 0.751 nan 8.190 nan 0.000 0.480 248 S N 3.749 119.404 115.700 -0.074 0.000 2.461 248 S HA 0.297 4.767 4.470 -0.001 0.000 0.322 248 S C -0.452 174.153 174.600 0.007 0.000 1.063 248 S CA -0.655 57.522 58.200 -0.039 0.000 1.120 248 S CB -0.216 62.916 63.200 -0.113 0.000 0.968 248 S HN 0.822 nan 8.310 nan 0.000 0.467 249 H N 4.855 123.901 119.070 -0.039 0.000 2.819 249 H HA 0.385 4.940 4.556 -0.000 0.000 0.303 249 H C -0.257 175.080 175.328 0.015 0.000 1.058 249 H CA -0.174 55.867 56.048 -0.012 0.000 1.471 249 H CB 0.270 30.025 29.762 -0.012 0.000 1.480 249 H HN 0.561 nan 8.280 nan 0.000 0.517 250 N N 8.521 127.141 118.700 -0.132 0.000 2.886 250 N HA 0.088 4.828 4.740 -0.001 0.000 0.285 250 N C -2.185 173.220 175.510 -0.175 0.000 1.706 250 N CA -1.282 51.708 53.050 -0.101 0.000 0.904 250 N CB 1.474 40.026 38.487 0.109 0.000 1.224 250 N HN 0.529 nan 8.380 nan 0.000 0.488 251 P HA -0.239 nan 4.420 nan 0.000 0.215 251 P C 1.311 178.557 177.300 -0.090 0.000 1.163 251 P CA 1.552 64.468 63.100 -0.308 0.000 0.894 251 P CB 0.422 31.898 31.700 -0.373 0.000 0.791 252 A N -0.120 122.681 122.820 -0.031 0.000 1.883 252 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 252 A C 2.717 180.326 177.584 0.041 0.000 1.186 252 A CA 2.579 54.661 52.037 0.075 0.000 0.624 252 A CB -1.721 17.410 19.000 0.219 0.000 0.822 252 A HN 0.313 nan 8.150 nan 0.000 0.444 253 S N -0.158 115.564 115.700 0.035 0.000 2.368 253 S HA -0.210 4.260 4.470 -0.001 0.000 0.225 253 S C 1.849 176.416 174.600 -0.054 0.000 1.030 253 S CA 1.731 59.934 58.200 0.004 0.000 0.999 253 S CB -0.734 62.521 63.200 0.091 0.000 0.844 253 S HN 0.749 nan 8.310 nan 0.000 0.459 254 N N 0.626 119.306 118.700 -0.033 0.000 2.104 254 N HA -0.068 4.671 4.740 -0.001 0.000 0.190 254 N C 1.816 177.297 175.510 -0.048 0.000 1.024 254 N CA 1.568 54.577 53.050 -0.070 0.000 0.853 254 N CB -0.266 38.211 38.487 -0.017 0.000 1.008 254 N HN 0.346 nan 8.380 nan 0.000 0.424 255 L N 1.151 122.363 121.223 -0.019 0.000 2.005 255 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 255 L C 2.513 179.380 176.870 -0.006 0.000 1.072 255 L CA 1.163 56.002 54.840 -0.002 0.000 0.744 255 L CB -0.383 41.687 42.059 0.017 0.000 0.895 255 L HN 0.135 nan 8.230 nan 0.000 0.433 256 K N 0.485 120.879 120.400 -0.011 0.000 2.152 256 K HA -0.151 4.169 4.320 -0.001 0.000 0.206 256 K C 1.689 178.259 176.600 -0.049 0.000 1.048 256 K CA 1.200 57.476 56.287 -0.018 0.000 0.933 256 K CB 0.005 32.493 32.500 -0.019 0.000 0.721 256 K HN 0.270 nan 8.250 nan 0.000 0.447 257 L N -0.012 121.155 121.223 -0.093 0.000 2.653 257 L HA 0.186 4.526 4.340 -0.001 0.000 0.231 257 L C 0.691 177.551 176.870 -0.017 0.000 1.153 257 L CA 0.204 54.990 54.840 -0.089 0.000 0.933 257 L CB 0.217 42.175 42.059 -0.169 0.000 1.175 257 L HN 0.446 nan 8.230 nan 0.000 0.473 258 G N 0.889 109.682 108.800 -0.011 0.000 2.273 258 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.280 258 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.280 258 G C 0.664 175.569 174.900 0.009 0.000 1.047 258 G CA 0.451 45.557 45.100 0.011 0.000 0.869 258 G HN 0.456 nan 8.290 nan 0.000 0.502 259 N N 0.402 119.089 118.700 -0.022 0.000 2.392 259 N HA 0.329 5.068 4.740 -0.001 0.000 0.177 259 N C 1.537 177.082 175.510 0.059 0.000 1.066 259 N CA 1.672 54.721 53.050 -0.002 0.000 0.895 259 N CB 0.438 38.855 38.487 -0.117 0.000 0.988 259 N HN 1.590 nan 8.380 nan 0.000 0.457 260 G N 0.697 109.506 108.800 0.015 0.000 2.396 260 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.254 260 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.254 260 G C -1.347 173.545 174.900 -0.013 0.000 1.248 260 G CA -0.791 44.314 45.100 0.007 0.000 1.033 260 G HN 0.044 nan 8.290 nan 0.000 0.502 261 I N 1.309 121.866 120.570 -0.020 0.000 2.418 261 I HA 0.601 4.771 4.170 -0.001 0.000 0.287 261 I C 0.777 176.885 176.117 -0.016 0.000 1.008 261 I CA -0.709 60.600 61.300 0.016 0.000 1.104 261 I CB 1.811 39.828 38.000 0.028 0.000 1.264 261 I HN 0.996 nan 8.210 nan 0.000 0.438 262 A N 8.486 131.326 122.820 0.035 0.000 2.440 262 A HA 0.420 4.740 4.320 -0.001 0.000 0.251 262 A C -2.072 175.463 177.584 -0.082 0.000 1.089 262 A CA -1.145 50.872 52.037 -0.033 0.000 0.779 262 A CB -0.277 18.727 19.000 0.006 0.000 1.022 262 A HN 0.521 nan 8.150 nan 0.000 0.492 263 P HA 0.096 nan 4.420 nan 0.000 0.226 263 P C 0.810 178.042 177.300 -0.113 0.000 1.783 263 P CA -0.031 63.048 63.100 -0.035 0.000 0.980 263 P CB 0.122 31.860 31.700 0.062 0.000 1.967 264 V N 1.248 121.034 119.914 -0.214 0.000 2.332 264 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 264 V C 2.858 178.849 176.094 -0.172 0.000 1.055 264 V CA 2.128 64.259 62.300 -0.282 0.000 1.038 264 V CB -1.007 30.543 31.823 -0.454 0.000 0.651 264 V HN 0.306 nan 8.190 nan 0.000 0.450 265 Q N 0.576 120.318 119.800 -0.098 0.000 2.061 265 Q HA -0.255 4.085 4.340 -0.001 0.000 0.204 265 Q C 2.220 178.216 176.000 -0.007 0.000 0.984 265 Q CA 2.204 57.984 55.803 -0.038 0.000 0.846 265 Q CB -0.401 28.333 28.738 -0.008 0.000 0.902 265 Q HN 0.481 nan 8.270 nan 0.000 0.421 266 R N -0.371 120.135 120.500 0.011 0.000 2.073 266 R HA -0.049 4.291 4.340 -0.001 0.000 0.234 266 R C 2.189 178.485 176.300 -0.007 0.000 1.134 266 R CA 2.173 58.323 56.100 0.084 0.000 0.952 266 R CB -0.428 29.962 30.300 0.150 0.000 0.850 266 R HN 0.443 nan 8.270 nan 0.000 0.433 267 M N -0.490 118.945 119.600 -0.276 0.000 2.080 267 M HA -0.181 4.299 4.480 -0.001 0.000 0.260 267 M C 2.223 178.399 176.300 -0.205 0.000 1.068 267 M CA 1.820 56.767 55.300 -0.589 0.000 1.109 267 M CB -0.446 31.733 32.600 -0.702 0.000 1.342 267 M HN 0.134 nan 8.290 nan 0.000 0.405 268 I N 0.077 120.576 120.570 -0.119 0.000 2.226 268 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 268 I C 2.105 178.239 176.117 0.028 0.000 1.100 268 I CA 1.424 62.694 61.300 -0.049 0.000 1.374 268 I CB -0.504 37.467 38.000 -0.048 0.000 1.057 268 I HN 0.358 nan 8.210 nan 0.000 0.413 269 E N -0.205 120.048 120.200 0.088 0.000 2.268 269 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 269 E C 1.466 178.168 176.600 0.171 0.000 0.995 269 E CA 0.860 57.336 56.400 0.128 0.000 0.836 269 E CB -0.098 29.695 29.700 0.155 0.000 0.763 269 E HN 0.571 nan 8.360 nan 0.000 0.491 270 H N -1.021 118.069 119.070 0.033 0.000 2.539 270 H HA 0.158 4.713 4.556 -0.001 0.000 0.267 270 H C 1.215 176.553 175.328 0.017 0.000 0.982 270 H CA 0.652 56.736 56.048 0.059 0.000 1.146 270 H CB 0.611 30.470 29.762 0.161 0.000 1.382 270 H HN 0.302 nan 8.280 nan 0.000 0.577 271 G N -0.111 108.742 108.800 0.090 0.000 2.176 271 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.253 271 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.253 271 G C 0.405 175.301 174.900 -0.006 0.000 0.979 271 G CA 0.101 45.220 45.100 0.031 0.000 0.641 271 G HN 0.277 nan 8.290 nan 0.000 0.530 272 M N 0.601 120.186 119.600 -0.025 0.000 2.243 272 M HA 0.303 4.783 4.480 -0.001 0.000 0.341 272 M C 0.732 176.971 176.300 -0.102 0.000 1.130 272 M CA 0.449 55.706 55.300 -0.073 0.000 1.162 272 M CB 0.560 33.080 32.600 -0.134 0.000 1.497 272 M HN 0.049 nan 8.290 nan 0.000 0.456 273 K N 1.886 122.192 120.400 -0.158 0.000 2.258 273 K HA 0.469 4.789 4.320 -0.001 0.000 0.284 273 K C -1.228 175.292 176.600 -0.133 0.000 1.051 273 K CA -0.392 55.764 56.287 -0.218 0.000 0.923 273 K CB 0.907 33.068 32.500 -0.565 0.000 1.046 273 K HN 0.379 nan 8.250 nan 0.000 0.474 274 V N 2.464 122.339 119.914 -0.064 0.000 2.656 274 V HA 0.382 4.501 4.120 -0.001 0.000 0.307 274 V C 0.041 176.156 176.094 0.035 0.000 1.051 274 V CA -0.809 61.476 62.300 -0.025 0.000 0.893 274 V CB 1.825 33.606 31.823 -0.069 0.000 0.999 274 V HN 1.004 nan 8.190 nan 0.000 0.426 275 T N 2.007 116.603 114.554 0.069 0.000 2.858 275 T HA 0.829 5.179 4.350 -0.001 0.000 0.285 275 T C -0.909 173.845 174.700 0.090 0.000 1.052 275 T CA -0.852 61.299 62.100 0.085 0.000 1.009 275 T CB 1.795 70.727 68.868 0.105 0.000 1.241 275 T HN 0.351 nan 8.240 nan 0.000 0.542 276 L N 0.569 121.839 121.223 0.078 0.000 2.341 276 L HA 0.752 5.092 4.340 -0.001 0.000 0.278 276 L C 0.437 177.337 176.870 0.050 0.000 1.005 276 L CA -0.761 54.117 54.840 0.063 0.000 0.818 276 L CB 1.855 43.934 42.059 0.034 0.000 1.259 276 L HN 1.072 nan 8.230 nan 0.000 0.418 277 G N -0.419 108.405 108.800 0.040 0.000 2.533 277 G HA2 0.483 4.443 3.960 -0.001 0.000 0.304 277 G HA3 0.483 4.443 3.960 -0.001 0.000 0.304 277 G C 0.380 175.304 174.900 0.039 0.000 1.263 277 G CA 0.038 45.174 45.100 0.060 0.000 0.964 277 G HN 0.595 nan 8.290 nan 0.000 0.479 278 T N -2.445 112.127 114.554 0.030 0.000 3.015 278 T HA 0.230 4.579 4.350 -0.001 0.000 0.250 278 T C 0.723 175.458 174.700 0.058 0.000 1.057 278 T CA 1.052 63.169 62.100 0.028 0.000 1.066 278 T CB 0.031 68.894 68.868 -0.010 0.000 0.959 278 T HN 0.686 nan 8.240 nan 0.000 0.488 279 D N 0.561 120.990 120.400 0.049 0.000 3.672 279 D HA -0.075 4.565 4.640 -0.001 0.000 0.258 279 D C 0.311 176.623 176.300 0.020 0.000 1.876 279 D CA 1.471 55.523 54.000 0.086 0.000 1.168 279 D CB -1.238 39.742 40.800 0.300 0.000 0.839 279 D HN 0.662 nan 8.370 nan 0.000 1.037 280 G N -1.346 107.580 108.800 0.211 0.000 2.451 280 G HA2 0.591 4.551 3.960 -0.001 0.000 0.303 280 G HA3 0.591 4.551 3.960 -0.001 0.000 0.303 280 G C 0.796 175.771 174.900 0.125 0.000 1.166 280 G CA 0.454 45.655 45.100 0.170 0.000 0.884 280 G HN 0.760 nan 8.290 nan 0.000 0.514 281 A N 0.345 123.199 122.820 0.057 0.000 2.216 281 A HA 0.280 4.599 4.320 -0.001 0.000 0.214 281 A C 2.294 179.945 177.584 0.112 0.000 1.160 281 A CA 1.875 53.938 52.037 0.043 0.000 0.725 281 A CB -0.223 18.768 19.000 -0.016 0.000 0.784 281 A HN 1.145 nan 8.150 nan 0.000 0.472 282 A N -0.317 122.638 122.820 0.225 0.000 2.195 282 A HA 0.277 4.596 4.320 -0.001 0.000 0.210 282 A C 1.461 179.338 177.584 0.488 0.000 1.165 282 A CA 1.103 53.345 52.037 0.341 0.000 0.806 282 A CB -0.192 19.026 19.000 0.363 0.000 0.847 282 A HN 1.001 nan 8.150 nan 0.000 0.482 283 S N -1.241 114.645 115.700 0.310 0.000 2.794 283 S HA 0.278 4.748 4.470 -0.001 0.000 0.244 283 S C 0.182 174.801 174.600 0.032 0.000 1.045 283 S CA -0.230 58.008 58.200 0.063 0.000 1.114 283 S CB -0.276 62.718 63.200 -0.344 0.000 1.085 283 S HN 0.413 nan 8.310 nan 0.000 0.488 284 N N 1.936 120.671 118.700 0.058 0.000 2.995 284 N HA 0.147 4.886 4.740 -0.001 0.000 0.254 284 N C -0.286 175.223 175.510 -0.002 0.000 0.967 284 N CA 0.270 53.343 53.050 0.037 0.000 1.054 284 N CB 0.205 38.714 38.487 0.037 0.000 1.615 284 N HN 0.317 nan 8.380 nan 0.000 0.766 285 N N 0.779 119.452 118.700 -0.045 0.000 2.275 285 N HA 0.128 4.868 4.740 -0.001 0.000 0.236 285 N C -0.570 174.904 175.510 -0.060 0.000 1.154 285 N CA -0.076 52.962 53.050 -0.020 0.000 0.866 285 N CB 0.902 39.388 38.487 -0.002 0.000 1.093 285 N HN 0.302 nan 8.380 nan 0.000 0.515 286 S N -0.553 115.080 115.700 -0.112 0.000 2.690 286 S HA 0.591 5.061 4.470 -0.001 0.000 0.291 286 S C 0.098 174.655 174.600 -0.073 0.000 1.138 286 S CA -0.734 57.393 58.200 -0.122 0.000 1.013 286 S CB 1.477 64.528 63.200 -0.247 0.000 1.053 286 S HN 0.086 nan 8.310 nan 0.000 0.539 287 L N 2.004 123.198 121.223 -0.048 0.000 2.825 287 L HA 0.446 4.786 4.340 -0.001 0.000 0.236 287 L C -0.205 176.677 176.870 0.020 0.000 1.301 287 L CA -0.318 54.498 54.840 -0.041 0.000 0.977 287 L CB -0.161 41.839 42.059 -0.098 0.000 1.300 287 L HN 0.643 nan 8.230 nan 0.000 0.486 288 N N 1.239 119.906 118.700 -0.055 0.000 2.524 288 N HA 0.171 4.911 4.740 -0.001 0.000 0.261 288 N C 0.310 175.817 175.510 -0.004 0.000 0.998 288 N CA -0.431 52.519 53.050 -0.167 0.000 0.915 288 N CB 1.846 40.024 38.487 -0.515 0.000 1.187 288 N HN 0.199 nan 8.380 nan 0.000 0.507 289 L N 3.397 124.617 121.223 -0.004 0.000 2.376 289 L HA 0.233 4.573 4.340 -0.001 0.000 0.219 289 L C 1.254 178.072 176.870 -0.086 0.000 1.133 289 L CA 1.181 55.989 54.840 -0.054 0.000 0.816 289 L CB -0.490 41.502 42.059 -0.112 0.000 0.933 289 L HN 0.533 nan 8.230 nan 0.000 0.449 290 F N -2.209 117.748 119.950 0.012 0.000 2.163 290 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 290 F C 2.245 178.042 175.800 -0.006 0.000 1.094 290 F CA 1.460 59.474 58.000 0.024 0.000 1.290 290 F CB -0.492 38.520 39.000 0.021 0.000 1.017 290 F HN 0.101 nan 8.300 nan 0.000 0.483 291 F N 1.354 121.322 119.950 0.030 0.000 2.102 291 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 291 F C 2.355 178.139 175.800 -0.026 0.000 1.105 291 F CA 1.745 59.725 58.000 -0.033 0.000 1.239 291 F CB -0.499 38.439 39.000 -0.102 0.000 0.991 291 F HN -0.128 nan 8.300 nan 0.000 0.474 292 E N 0.329 120.528 120.200 -0.002 0.000 2.085 292 E HA -0.280 4.070 4.350 -0.001 0.000 0.194 292 E C 2.354 178.858 176.600 -0.159 0.000 0.994 292 E CA 1.938 58.272 56.400 -0.109 0.000 0.801 292 E CB -0.480 29.214 29.700 -0.011 0.000 0.743 292 E HN 0.580 nan 8.360 nan 0.000 0.453 293 M N -0.288 119.255 119.600 -0.095 0.000 2.086 293 M HA -0.203 4.277 4.480 -0.001 0.000 0.261 293 M C 2.386 178.627 176.300 -0.099 0.000 1.067 293 M CA 1.762 57.020 55.300 -0.069 0.000 1.116 293 M CB -0.079 32.489 32.600 -0.053 0.000 1.348 293 M HN -0.014 nan 8.290 nan 0.000 0.407 294 R N 0.205 120.626 120.500 -0.132 0.000 2.080 294 R HA -0.211 4.128 4.340 -0.001 0.000 0.236 294 R C 2.199 178.399 176.300 -0.167 0.000 1.137 294 R CA 1.979 57.985 56.100 -0.157 0.000 0.943 294 R CB -0.652 29.573 30.300 -0.125 0.000 0.846 294 R HN 0.461 nan 8.270 nan 0.000 0.431 295 L N 0.882 121.903 121.223 -0.336 0.000 2.012 295 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 295 L C 2.303 179.098 176.870 -0.125 0.000 1.073 295 L CA 2.281 56.930 54.840 -0.317 0.000 0.748 295 L CB -0.907 40.823 42.059 -0.549 0.000 0.891 295 L HN 0.300 nan 8.230 nan 0.000 0.431 296 A N -1.524 121.245 122.820 -0.085 0.000 1.892 296 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 296 A C 2.539 180.169 177.584 0.076 0.000 1.188 296 A CA 2.288 54.371 52.037 0.077 0.000 0.631 296 A CB -1.341 17.756 19.000 0.160 0.000 0.822 296 A HN 0.565 nan 8.150 nan 0.000 0.447 297 S N -0.568 115.158 115.700 0.043 0.000 2.353 297 S HA -0.132 4.337 4.470 -0.001 0.000 0.222 297 S C 1.965 176.626 174.600 0.102 0.000 1.035 297 S CA 1.560 59.811 58.200 0.084 0.000 1.025 297 S CB -0.537 62.728 63.200 0.109 0.000 0.902 297 S HN 0.475 nan 8.310 nan 0.000 0.440 298 L N 1.024 122.301 121.223 0.090 0.000 2.012 298 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 298 L C 2.472 179.368 176.870 0.042 0.000 1.073 298 L CA 1.345 56.226 54.840 0.068 0.000 0.748 298 L CB -0.623 41.461 42.059 0.042 0.000 0.891 298 L HN 0.362 nan 8.230 nan 0.000 0.431 299 L N -0.928 120.317 121.223 0.036 0.000 2.079 299 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 299 L C 2.787 179.679 176.870 0.037 0.000 1.081 299 L CA 1.006 55.869 54.840 0.038 0.000 0.752 299 L CB -0.526 41.566 42.059 0.054 0.000 0.896 299 L HN 0.375 nan 8.230 nan 0.000 0.433 300 Q N 0.120 119.945 119.800 0.040 0.000 2.187 300 Q HA -0.114 4.226 4.340 -0.001 0.000 0.199 300 Q C 2.102 178.118 176.000 0.026 0.000 0.957 300 Q CA 1.067 56.885 55.803 0.025 0.000 0.857 300 Q CB -0.086 28.661 28.738 0.016 0.000 0.929 300 Q HN 0.479 nan 8.270 nan 0.000 0.453 301 K N 0.618 121.038 120.400 0.034 0.000 2.283 301 K HA -0.004 4.315 4.320 -0.001 0.000 0.202 301 K C 1.949 178.559 176.600 0.017 0.000 1.048 301 K CA 0.776 57.078 56.287 0.025 0.000 0.948 301 K CB -0.031 32.485 32.500 0.027 0.000 0.742 301 K HN 0.107 nan 8.250 nan 0.000 0.458 302 A N 1.237 124.068 122.820 0.019 0.000 1.972 302 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 302 A C 1.953 179.545 177.584 0.013 0.000 1.169 302 A CA 1.303 53.349 52.037 0.015 0.000 0.635 302 A CB -0.154 18.856 19.000 0.017 0.000 0.810 302 A HN 0.192 nan 8.150 nan 0.000 0.446 303 Q N -1.032 118.776 119.800 0.014 0.000 2.212 303 Q HA 0.053 4.393 4.340 -0.001 0.000 0.199 303 Q C 0.093 176.099 176.000 0.012 0.000 0.950 303 Q CA 0.690 56.501 55.803 0.012 0.000 0.863 303 Q CB 0.075 28.821 28.738 0.012 0.000 0.944 303 Q HN 0.662 nan 8.270 nan 0.000 0.465 304 N N -0.785 117.923 118.700 0.013 0.000 2.697 304 N HA 0.118 4.858 4.740 -0.001 0.000 0.271 304 N C -2.615 172.902 175.510 0.011 0.000 1.149 304 N CA -1.188 51.869 53.050 0.012 0.000 0.939 304 N CB 1.693 40.188 38.487 0.014 0.000 1.534 304 N HN -0.286 nan 8.380 nan 0.000 0.556 305 P HA -0.027 nan 4.420 nan 0.000 0.224 305 P C 0.768 178.071 177.300 0.005 0.000 1.142 305 P CA 1.055 64.155 63.100 -0.000 0.000 0.778 305 P CB 0.303 31.998 31.700 -0.008 0.000 0.764 306 R N -1.563 118.943 120.500 0.011 0.000 2.276 306 R HA 0.103 4.443 4.340 -0.001 0.000 0.196 306 R C 0.626 176.941 176.300 0.026 0.000 0.961 306 R CA -0.054 56.056 56.100 0.017 0.000 1.024 306 R CB -0.357 29.952 30.300 0.015 0.000 0.940 306 R HN 0.385 nan 8.270 nan 0.000 0.480 307 N N 1.210 119.925 118.700 0.026 0.000 2.416 307 N HA -0.000 4.739 4.740 -0.001 0.000 0.246 307 N C -0.250 175.286 175.510 0.043 0.000 1.260 307 N CA -0.086 52.981 53.050 0.029 0.000 0.897 307 N CB 0.473 38.974 38.487 0.024 0.000 1.110 307 N HN 0.014 nan 8.380 nan 0.000 0.439 308 L N 1.182 122.427 121.223 0.037 0.000 3.943 308 L HA -0.254 4.085 4.340 -0.001 0.000 0.529 308 L C -0.212 176.704 176.870 0.078 0.000 1.173 308 L CA 0.066 54.934 54.840 0.046 0.000 0.737 308 L CB -1.877 40.210 42.059 0.047 0.000 1.321 308 L HN 0.717 nan 8.230 nan 0.000 0.794 309 D N -1.180 119.262 120.400 0.071 0.000 2.361 309 D HA 0.247 4.887 4.640 -0.001 0.000 0.239 309 D C 1.258 177.620 176.300 0.102 0.000 1.200 309 D CA -0.469 53.586 54.000 0.092 0.000 0.915 309 D CB 0.797 41.639 40.800 0.069 0.000 1.170 309 D HN -0.051 nan 8.370 nan 0.000 0.444 310 V N 0.986 120.974 119.914 0.123 0.000 2.231 310 V HA -0.356 3.764 4.120 -0.001 0.000 0.250 310 V C 1.983 178.137 176.094 0.100 0.000 1.058 310 V CA 2.423 64.788 62.300 0.108 0.000 1.022 310 V CB -0.893 30.995 31.823 0.110 0.000 0.640 310 V HN 0.558 nan 8.190 nan 0.000 0.445 311 N N -0.108 118.662 118.700 0.117 0.000 2.104 311 N HA -0.142 4.597 4.740 -0.001 0.000 0.190 311 N C 1.874 177.464 175.510 0.133 0.000 1.024 311 N CA 1.929 55.086 53.050 0.179 0.000 0.853 311 N CB -0.807 37.809 38.487 0.214 0.000 1.008 311 N HN 0.503 nan 8.380 nan 0.000 0.424 312 T N 0.311 114.904 114.554 0.065 0.000 2.788 312 T HA -0.089 4.261 4.350 -0.001 0.000 0.268 312 T C 2.176 176.863 174.700 -0.022 0.000 1.044 312 T CA 0.846 62.940 62.100 -0.010 0.000 1.139 312 T CB -0.396 68.475 68.868 0.005 0.000 0.867 312 T HN 0.327 nan 8.240 nan 0.000 0.454 313 C N 0.839 120.151 119.300 0.019 0.000 2.453 313 C HA 0.110 4.570 4.460 -0.001 0.000 0.277 313 C C 2.696 177.698 174.990 0.020 0.000 1.262 313 C CA 0.264 59.290 59.018 0.013 0.000 1.718 313 C CB -1.300 26.445 27.740 0.009 0.000 2.031 313 C HN 0.519 nan 8.230 nan 0.000 0.480 314 L N 0.898 122.160 121.223 0.065 0.000 2.083 314 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 314 L C 2.623 179.552 176.870 0.098 0.000 1.083 314 L CA 1.635 56.541 54.840 0.109 0.000 0.752 314 L CB -0.669 41.498 42.059 0.182 0.000 0.899 314 L HN 0.427 nan 8.230 nan 0.000 0.433 315 K N 0.353 120.737 120.400 -0.028 0.000 2.057 315 K HA -0.230 4.090 4.320 -0.001 0.000 0.207 315 K C 2.256 178.799 176.600 -0.095 0.000 1.049 315 K CA 1.444 57.542 56.287 -0.315 0.000 0.931 315 K CB -0.082 31.841 32.500 -0.961 0.000 0.714 315 K HN 0.147 nan 8.250 nan 0.000 0.440 316 M N 0.920 120.484 119.600 -0.059 0.000 2.080 316 M HA -0.166 4.314 4.480 -0.001 0.000 0.260 316 M C 1.908 178.233 176.300 0.041 0.000 1.068 316 M CA 2.073 57.372 55.300 -0.002 0.000 1.109 316 M CB -0.011 32.590 32.600 0.001 0.000 1.342 316 M HN 0.168 nan 8.290 nan 0.000 0.405 317 V N -2.508 117.427 119.914 0.034 0.000 3.041 317 V HA -0.054 4.066 4.120 -0.001 0.000 0.260 317 V C 1.744 177.918 176.094 0.133 0.000 1.105 317 V CA 1.520 63.842 62.300 0.037 0.000 1.125 317 V CB -1.637 30.137 31.823 -0.082 0.000 0.730 317 V HN 0.694 nan 8.190 nan 0.000 0.479 318 T N -2.521 112.136 114.554 0.171 0.000 3.610 318 T HA 0.080 4.430 4.350 -0.001 0.000 0.209 318 T C 1.805 176.662 174.700 0.262 0.000 0.889 318 T CA 0.966 63.239 62.100 0.288 0.000 1.469 318 T CB -0.849 68.193 68.868 0.289 0.000 1.557 318 T HN 0.318 nan 8.240 nan 0.000 0.431 319 Y N 2.545 122.930 120.300 0.140 0.000 2.128 319 Y HA -0.151 4.398 4.550 -0.001 0.000 0.284 319 Y C 2.135 178.069 175.900 0.058 0.000 1.154 319 Y CA 2.242 60.417 58.100 0.125 0.000 1.149 319 Y CB -0.581 37.994 38.460 0.192 0.000 0.976 319 Y HN 0.255 nan 8.280 nan 0.000 0.505 320 D N -0.350 120.069 120.400 0.032 0.000 2.144 320 D HA -0.149 4.491 4.640 -0.001 0.000 0.199 320 D C 2.307 178.583 176.300 -0.039 0.000 0.984 320 D CA 1.420 55.408 54.000 -0.019 0.000 0.834 320 D CB -0.887 39.954 40.800 0.069 0.000 0.955 320 D HN 0.567 nan 8.370 nan 0.000 0.465 321 G N 1.081 109.880 108.800 -0.001 0.000 2.433 321 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 321 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 321 G C 1.771 176.577 174.900 -0.156 0.000 1.186 321 G CA 1.395 46.512 45.100 0.029 0.000 0.779 321 G HN 0.392 nan 8.290 nan 0.000 0.543 322 A N -0.120 122.428 122.820 -0.452 0.000 1.940 322 A HA -0.113 4.207 4.320 -0.001 0.000 0.219 322 A C 2.392 179.711 177.584 -0.441 0.000 1.176 322 A CA 2.025 53.597 52.037 -0.775 0.000 0.631 322 A CB -0.369 18.074 19.000 -0.928 0.000 0.814 322 A HN 0.352 nan 8.150 nan 0.000 0.446 323 Q N -0.678 118.861 119.800 -0.436 0.000 2.050 323 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 323 Q C 2.473 178.156 176.000 -0.528 0.000 0.980 323 Q CA 1.657 57.230 55.803 -0.383 0.000 0.840 323 Q CB -0.695 27.878 28.738 -0.276 0.000 0.898 323 Q HN 0.667 nan 8.270 nan 0.000 0.424 324 A N 0.464 122.868 122.820 -0.693 0.000 1.972 324 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 324 A C 1.997 179.167 177.584 -0.690 0.000 1.169 324 A CA 1.245 52.536 52.037 -1.244 0.000 0.635 324 A CB -0.389 18.114 19.000 -0.829 0.000 0.810 324 A HN 0.312 nan 8.150 nan 0.000 0.446 325 M N -1.311 118.038 119.600 -0.419 0.000 2.561 325 M HA 0.154 4.634 4.480 -0.001 0.000 0.238 325 M C 1.271 177.215 176.300 -0.592 0.000 1.131 325 M CA 0.717 55.822 55.300 -0.325 0.000 1.046 325 M CB 0.171 32.801 32.600 0.051 0.000 1.532 325 M HN 0.607 nan 8.290 nan 0.000 0.497 326 G N 1.232 109.713 108.800 -0.530 0.000 2.176 326 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.252 326 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.252 326 G C -0.380 174.242 174.900 -0.464 0.000 1.024 326 G CA -0.206 44.586 45.100 -0.513 0.000 0.755 326 G HN 0.368 nan 8.290 nan 0.000 0.507 327 F N -0.479 119.394 119.950 -0.128 0.000 2.469 327 F HA 0.522 5.049 4.527 0.000 0.000 0.332 327 F C 0.865 176.538 175.800 -0.212 0.000 1.103 327 F CA -1.521 56.413 58.000 -0.109 0.000 0.979 327 F CB 1.822 40.764 39.000 -0.096 0.000 1.137 327 F HN -0.069 nan 8.300 nan 0.000 0.463 328 K N 2.632 123.042 120.400 0.017 0.000 2.737 328 K HA 0.318 4.638 4.320 -0.001 0.000 0.251 328 K C -0.725 175.882 176.600 0.011 0.000 1.280 328 K CA 0.198 56.343 56.287 -0.236 0.000 1.219 328 K CB -0.346 31.920 32.500 -0.390 0.000 1.587 328 K HN 0.713 nan 8.250 nan 0.000 0.279 329 S N -1.048 114.752 115.700 0.165 0.000 2.745 329 S HA 0.698 5.168 4.470 -0.001 0.000 0.306 329 S C 0.498 175.381 174.600 0.473 0.000 1.137 329 S CA -0.247 58.174 58.200 0.369 0.000 0.900 329 S CB 1.795 65.123 63.200 0.214 0.000 1.176 329 S HN 0.524 nan 8.310 nan 0.000 0.520 330 G N 0.285 109.347 108.800 0.436 0.000 2.184 330 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.206 330 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.206 330 G C -0.430 174.634 174.900 0.274 0.000 0.995 330 G CA -0.212 45.132 45.100 0.407 0.000 0.651 330 G HN 0.529 nan 8.290 nan 0.000 0.511 331 K N -0.182 120.255 120.400 0.063 0.000 2.543 331 K HA 0.495 4.815 4.320 -0.001 0.000 0.255 331 K C -0.511 175.918 176.600 -0.286 0.000 0.934 331 K CA -0.928 55.168 56.287 -0.319 0.000 0.810 331 K CB 2.079 33.999 32.500 -0.967 0.000 1.315 331 K HN 0.094 nan 8.250 nan 0.000 0.433 332 I N 3.320 123.779 120.570 -0.184 0.000 2.227 332 I HA 0.123 4.293 4.170 -0.001 0.000 0.297 332 I C -0.200 175.830 176.117 -0.145 0.000 1.173 332 I CA 0.353 61.599 61.300 -0.090 0.000 1.356 332 I CB -0.094 37.885 38.000 -0.035 0.000 1.485 332 I HN 0.450 nan 8.210 nan 0.000 0.604 333 E N 3.992 124.065 120.200 -0.212 0.000 2.393 333 E HA 0.354 4.704 4.350 -0.001 0.000 0.273 333 E C -0.851 175.805 176.600 0.092 0.000 0.918 333 E CA -0.972 55.332 56.400 -0.161 0.000 0.773 333 E CB 2.132 31.569 29.700 -0.438 0.000 1.275 333 E HN 0.362 nan 8.360 nan 0.000 0.451 334 E N 0.093 120.371 120.200 0.130 0.000 2.417 334 E HA 0.154 4.503 4.350 -0.001 0.000 0.261 334 E C 0.635 177.411 176.600 0.294 0.000 1.000 334 E CA 1.022 57.527 56.400 0.175 0.000 0.919 334 E CB 0.462 30.231 29.700 0.115 0.000 0.955 334 E HN 0.820 nan 8.360 nan 0.000 0.455 335 G N 2.897 111.841 108.800 0.240 0.000 2.234 335 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.235 335 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.235 335 G C -0.343 174.671 174.900 0.190 0.000 0.997 335 G CA -0.290 44.925 45.100 0.191 0.000 0.623 335 G HN 0.477 nan 8.290 nan 0.000 0.514 336 W N 1.990 123.323 121.300 0.055 0.000 2.183 336 W HA 0.644 5.304 4.660 -0.001 0.000 0.348 336 W C 0.647 177.201 176.519 0.058 0.000 1.257 336 W CA -0.869 56.517 57.345 0.069 0.000 1.324 336 W CB 0.231 29.743 29.460 0.088 0.000 1.144 336 W HN -0.003 nan 8.180 nan 0.000 0.622 337 N N 1.011 119.866 118.700 0.259 0.000 2.441 337 N HA 0.166 4.905 4.740 -0.001 0.000 0.251 337 N C -0.165 175.445 175.510 0.166 0.000 1.242 337 N CA 0.163 53.309 53.050 0.161 0.000 0.898 337 N CB 0.768 39.333 38.487 0.130 0.000 1.100 337 N HN 0.474 nan 8.380 nan 0.000 0.443 338 A N 1.748 124.616 122.820 0.080 0.000 3.091 338 A HA 0.109 4.428 4.320 -0.001 0.000 0.264 338 A C -0.599 176.999 177.584 0.023 0.000 1.673 338 A CA -0.373 51.688 52.037 0.039 0.000 1.362 338 A CB -0.421 18.562 19.000 -0.028 0.000 1.137 338 A HN 0.405 nan 8.150 nan 0.000 0.617 339 D N 1.635 122.096 120.400 0.102 0.000 2.460 339 D HA 0.558 5.197 4.640 -0.001 0.000 0.232 339 D C -0.351 176.031 176.300 0.136 0.000 1.079 339 D CA 0.307 54.374 54.000 0.111 0.000 0.864 339 D CB 1.199 42.129 40.800 0.216 0.000 1.048 339 D HN 0.379 nan 8.370 nan 0.000 0.523 340 L N 0.602 121.885 121.223 0.102 0.000 2.327 340 L HA 0.714 5.054 4.340 -0.001 0.000 0.258 340 L C -0.537 176.458 176.870 0.208 0.000 1.024 340 L CA -1.327 53.598 54.840 0.142 0.000 0.825 340 L CB 2.491 44.617 42.059 0.112 0.000 1.386 340 L HN -0.001 nan 8.230 nan 0.000 0.417 341 V N 1.177 121.223 119.914 0.220 0.000 2.876 341 V HA 0.656 4.776 4.120 -0.001 0.000 0.312 341 V C -1.206 175.016 176.094 0.214 0.000 1.085 341 V CA -0.481 61.974 62.300 0.259 0.000 0.945 341 V CB 2.552 34.540 31.823 0.275 0.000 1.017 341 V HN 0.417 nan 8.190 nan 0.000 0.428 342 V N 7.108 127.144 119.914 0.202 0.000 2.384 342 V HA 0.552 4.672 4.120 -0.001 0.000 0.287 342 V C -0.338 175.813 176.094 0.096 0.000 1.020 342 V CA -0.583 61.792 62.300 0.125 0.000 0.850 342 V CB 1.418 33.319 31.823 0.129 0.000 0.987 342 V HN 0.635 nan 8.190 nan 0.000 0.436 343 I N 3.182 123.739 120.570 -0.022 0.000 2.377 343 I HA 0.367 4.537 4.170 -0.001 0.000 0.293 343 I C -0.058 175.957 176.117 -0.170 0.000 0.987 343 I CA -0.476 60.742 61.300 -0.136 0.000 1.185 343 I CB 1.706 39.496 38.000 -0.351 0.000 1.341 343 I HN 0.596 nan 8.210 nan 0.000 0.455 344 D N 5.818 126.133 120.400 -0.141 0.000 2.325 344 D HA 0.205 4.845 4.640 -0.001 0.000 0.251 344 D C 0.803 177.014 176.300 -0.149 0.000 1.196 344 D CA -0.009 53.886 54.000 -0.174 0.000 0.866 344 D CB 0.919 41.646 40.800 -0.121 0.000 1.101 344 D HN 0.411 nan 8.370 nan 0.000 0.476 345 L N 2.513 123.655 121.223 -0.135 0.000 2.558 345 L HA 0.095 4.435 4.340 -0.001 0.000 0.225 345 L C 1.040 177.889 176.870 -0.035 0.000 1.128 345 L CA 0.187 54.981 54.840 -0.077 0.000 0.868 345 L CB -0.026 42.005 42.059 -0.047 0.000 1.006 345 L HN 0.362 nan 8.230 nan 0.000 0.454 346 D N 1.106 121.473 120.400 -0.055 0.000 3.008 346 D HA 0.225 4.864 4.640 -0.001 0.000 0.242 346 D C -0.211 176.073 176.300 -0.028 0.000 1.222 346 D CA 0.277 54.254 54.000 -0.037 0.000 0.883 346 D CB -0.219 40.547 40.800 -0.057 0.000 1.110 346 D HN 0.104 nan 8.370 nan 0.000 0.455 347 L N 0.159 121.375 121.223 -0.012 0.000 2.354 347 L HA 0.415 4.755 4.340 -0.001 0.000 0.264 347 L C -1.444 175.427 176.870 0.001 0.000 1.008 347 L CA -2.313 52.528 54.840 0.002 0.000 0.819 347 L CB 2.112 44.191 42.059 0.033 0.000 1.339 347 L HN -0.161 nan 8.230 nan 0.000 0.420 348 P HA -0.201 nan 4.420 nan 0.000 0.216 348 P C 0.975 178.277 177.300 0.004 0.000 1.153 348 P CA 1.112 64.206 63.100 -0.010 0.000 0.858 348 P CB 0.122 31.815 31.700 -0.010 0.000 0.789 349 E N -1.059 119.140 120.200 -0.001 0.000 2.472 349 E HA -0.096 4.254 4.350 -0.001 0.000 0.200 349 E C 1.013 177.494 176.600 -0.198 0.000 1.046 349 E CA 0.896 57.271 56.400 -0.042 0.000 0.871 349 E CB -0.662 29.069 29.700 0.051 0.000 0.806 349 E HN 0.252 nan 8.360 nan 0.000 0.533 350 M N 0.375 119.900 119.600 -0.126 0.000 2.475 350 M HA 0.287 4.767 4.480 -0.001 0.000 0.261 350 M C -0.400 175.857 176.300 -0.072 0.000 1.177 350 M CA -0.282 54.933 55.300 -0.142 0.000 0.979 350 M CB -0.685 31.909 32.600 -0.011 0.000 1.482 350 M HN -0.013 nan 8.290 nan 0.000 0.484 351 F N 1.399 121.160 119.950 -0.316 0.000 2.508 351 F HA 0.638 5.165 4.527 -0.000 0.000 0.325 351 F C -2.359 173.391 175.800 -0.083 0.000 1.090 351 F CA -2.377 55.562 58.000 -0.101 0.000 0.945 351 F CB 1.509 40.474 39.000 -0.057 0.000 1.156 351 F HN -0.104 nan 8.300 nan 0.000 0.463 352 P HA 0.047 nan 4.420 nan 0.000 0.271 352 P C 0.793 177.986 177.300 -0.177 0.000 1.216 352 P CA -0.181 62.309 63.100 -1.017 0.000 0.776 352 P CB 0.963 32.248 31.700 -0.692 0.000 0.881 353 V N 2.067 121.908 119.914 -0.122 0.000 2.568 353 V HA -0.304 3.815 4.120 -0.001 0.000 0.253 353 V C 1.684 177.788 176.094 0.018 0.000 1.072 353 V CA 1.987 64.323 62.300 0.059 0.000 1.084 353 V CB -1.695 30.186 31.823 0.096 0.000 0.676 353 V HN 0.661 nan 8.190 nan 0.000 0.469 354 Q N 0.572 120.344 119.800 -0.046 0.000 2.500 354 Q HA -0.066 4.273 4.340 -0.001 0.000 0.213 354 Q C 0.857 176.803 176.000 -0.090 0.000 0.974 354 Q CA 1.494 57.266 55.803 -0.051 0.000 0.918 354 Q CB -0.507 28.195 28.738 -0.060 0.000 0.980 354 Q HN 0.679 nan 8.270 nan 0.000 0.505 355 N N 0.376 118.984 118.700 -0.154 0.000 2.401 355 N HA 0.156 4.896 4.740 -0.001 0.000 0.264 355 N C 0.593 175.722 175.510 -0.634 0.000 1.238 355 N CA -0.139 52.692 53.050 -0.365 0.000 0.889 355 N CB 0.558 38.787 38.487 -0.431 0.000 1.196 355 N HN 0.161 nan 8.380 nan 0.000 0.511 356 I N 1.385 121.819 120.570 -0.226 0.000 2.113 356 I HA -0.337 3.832 4.170 -0.001 0.000 0.242 356 I C 2.063 178.125 176.117 -0.092 0.000 1.064 356 I CA 1.579 62.844 61.300 -0.058 0.000 1.320 356 I CB -0.539 37.463 38.000 0.004 0.000 1.028 356 I HN 0.174 nan 8.210 nan 0.000 0.406 357 K N 0.423 120.772 120.400 -0.084 0.000 2.044 357 K HA -0.203 4.116 4.320 -0.001 0.000 0.210 357 K C 1.831 178.425 176.600 -0.010 0.000 1.049 357 K CA 1.590 57.864 56.287 -0.022 0.000 0.927 357 K CB -0.249 32.248 32.500 -0.005 0.000 0.713 357 K HN 0.356 nan 8.250 nan 0.000 0.443 358 N N 0.463 119.111 118.700 -0.087 0.000 2.120 358 N HA -0.146 4.594 4.740 -0.001 0.000 0.188 358 N C 1.644 177.208 175.510 0.090 0.000 1.024 358 N CA 1.185 54.236 53.050 0.002 0.000 0.852 358 N CB -0.484 37.965 38.487 -0.063 0.000 1.003 358 N HN 0.333 nan 8.380 nan 0.000 0.424 359 H N 0.875 120.004 119.070 0.098 0.000 2.387 359 H HA 0.022 4.578 4.556 -0.000 0.000 0.299 359 H C 2.261 177.664 175.328 0.126 0.000 1.090 359 H CA 0.530 56.641 56.048 0.106 0.000 1.332 359 H CB -0.533 29.265 29.762 0.060 0.000 1.386 359 H HN 0.202 nan 8.280 nan 0.000 0.516 360 L N -0.057 121.283 121.223 0.195 0.000 2.127 360 L HA -0.136 4.204 4.340 -0.001 0.000 0.211 360 L C 2.332 179.373 176.870 0.285 0.000 1.089 360 L CA 0.721 55.685 54.840 0.206 0.000 0.757 360 L CB -0.145 42.018 42.059 0.174 0.000 0.899 360 L HN 0.097 nan 8.230 nan 0.000 0.434 361 V N -2.127 117.865 119.914 0.131 0.000 2.795 361 V HA -0.080 4.040 4.120 -0.001 0.000 0.243 361 V C 1.547 177.467 176.094 -0.290 0.000 1.069 361 V CA 0.956 63.205 62.300 -0.085 0.000 1.089 361 V CB -0.282 31.387 31.823 -0.258 0.000 0.756 361 V HN 0.427 nan 8.190 nan 0.000 0.471 362 H N -1.057 118.110 119.070 0.162 0.000 2.674 362 H HA 0.614 5.170 4.556 -0.001 0.000 0.274 362 H C 1.189 176.603 175.328 0.144 0.000 1.121 362 H CA 0.878 57.004 56.048 0.130 0.000 1.132 362 H CB 1.221 31.045 29.762 0.103 0.000 1.606 362 H HN 0.429 nan 8.280 nan 0.000 0.558 363 A N 0.053 123.026 122.820 0.255 0.000 2.377 363 A HA 0.063 4.382 4.320 -0.001 0.000 0.174 363 A C -0.117 177.588 177.584 0.203 0.000 1.663 363 A CA -0.349 51.812 52.037 0.207 0.000 1.219 363 A CB 0.256 19.375 19.000 0.198 0.000 1.499 363 A HN 0.088 nan 8.150 nan 0.000 0.481 364 F N 2.774 122.748 119.950 0.040 0.000 2.456 364 F HA 0.377 4.903 4.527 -0.001 0.000 0.358 364 F C 1.653 177.427 175.800 -0.043 0.000 1.095 364 F CA -0.229 57.747 58.000 -0.040 0.000 1.216 364 F CB 1.239 40.164 39.000 -0.126 0.000 1.125 364 F HN 0.143 nan 8.300 nan 0.000 0.549 365 S N 3.387 118.730 115.700 -0.596 0.000 2.402 365 S HA 0.126 4.595 4.470 -0.001 0.000 0.229 365 S C 1.621 175.751 174.600 -0.783 0.000 1.021 365 S CA 0.750 58.633 58.200 -0.529 0.000 0.974 365 S CB -0.601 62.402 63.200 -0.328 0.000 0.800 365 S HN 1.783 nan 8.310 nan 0.000 0.484 366 G N 0.356 108.078 108.800 -1.797 0.000 2.211 366 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.201 366 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.201 366 G C -0.320 174.316 174.900 -0.439 0.000 0.997 366 G CA -0.115 44.315 45.100 -1.116 0.000 0.652 366 G HN 0.459 nan 8.290 nan 0.000 0.500 367 E N 1.779 121.730 120.200 -0.415 0.000 2.029 367 E HA 0.398 4.748 4.350 -0.001 0.000 0.276 367 E C 1.140 177.902 176.600 0.271 0.000 1.163 367 E CA 0.238 56.660 56.400 0.036 0.000 0.909 367 E CB 1.293 31.011 29.700 0.029 0.000 1.046 367 E HN 0.943 nan 8.360 nan 0.000 0.406 368 V N 0.404 120.505 119.914 0.311 0.000 3.336 368 V HA 0.245 4.365 4.120 -0.001 0.000 0.304 368 V C 0.946 177.232 176.094 0.320 0.000 1.073 368 V CA -0.446 62.073 62.300 0.366 0.000 1.074 368 V CB 0.656 32.684 31.823 0.342 0.000 1.161 368 V HN 0.522 nan 8.190 nan 0.000 0.460 369 F N 1.215 121.197 119.950 0.053 0.000 2.317 369 F HA 0.685 5.210 4.527 -0.003 0.000 0.293 369 F C 0.794 176.391 175.800 -0.338 0.000 1.085 369 F CA 0.362 58.276 58.000 -0.144 0.000 1.390 369 F CB 0.036 38.880 39.000 -0.259 0.000 1.077 369 F HN 0.969 nan 8.300 nan 0.000 0.517 370 A N -0.838 121.822 122.820 -0.267 0.000 2.608 370 A HA 0.631 4.951 4.320 -0.001 0.000 0.292 370 A C -1.096 176.591 177.584 0.173 0.000 1.066 370 A CA -0.394 51.409 52.037 -0.389 0.000 0.676 370 A CB 0.745 19.016 19.000 -1.215 0.000 1.277 370 A HN -0.006 nan 8.150 nan 0.000 0.413 371 T N 1.760 116.547 114.554 0.389 0.000 2.921 371 T HA 0.604 4.954 4.350 -0.001 0.000 0.297 371 T C -0.629 174.399 174.700 0.546 0.000 1.013 371 T CA -0.186 62.181 62.100 0.445 0.000 0.990 371 T CB 1.239 70.315 68.868 0.347 0.000 1.023 371 T HN 0.755 nan 8.240 nan 0.000 0.447 372 M N 4.011 123.826 119.600 0.358 0.000 2.311 372 M HA 0.722 5.202 4.480 -0.001 0.000 0.325 372 M C -1.845 174.457 176.300 0.003 0.000 1.061 372 M CA -0.672 54.659 55.300 0.050 0.000 0.957 372 M CB 1.054 33.399 32.600 -0.425 0.000 1.646 372 M HN 0.382 nan 8.290 nan 0.000 0.434 373 V N 4.786 124.684 119.914 -0.026 0.000 2.588 373 V HA 0.642 4.762 4.120 -0.001 0.000 0.304 373 V C 0.476 176.524 176.094 -0.075 0.000 1.042 373 V CA -0.086 62.192 62.300 -0.036 0.000 0.877 373 V CB 1.432 33.248 31.823 -0.012 0.000 0.996 373 V HN 1.118 nan 8.190 nan 0.000 0.425 374 A N 3.766 126.541 122.820 -0.075 0.000 2.783 374 A HA 0.005 4.325 4.320 -0.001 0.000 0.292 374 A C 1.811 179.330 177.584 -0.108 0.000 1.495 374 A CA 1.498 53.485 52.037 -0.083 0.000 0.787 374 A CB -1.576 17.370 19.000 -0.090 0.000 1.017 374 A HN 2.741 nan 8.150 nan 0.000 0.516 375 G N -2.510 106.202 108.800 -0.147 0.000 2.184 375 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.264 375 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.264 375 G C 0.123 174.835 174.900 -0.312 0.000 0.975 375 G CA 1.115 46.083 45.100 -0.219 0.000 0.642 375 G HN 1.069 nan 8.290 nan 0.000 0.536 376 K N -0.462 119.790 120.400 -0.246 0.000 2.156 376 K HA 0.452 4.772 4.320 -0.001 0.000 0.254 376 K C -0.378 176.118 176.600 -0.174 0.000 0.950 376 K CA -1.056 55.102 56.287 -0.216 0.000 0.849 376 K CB 1.006 33.450 32.500 -0.093 0.000 1.100 376 K HN 0.267 nan 8.250 nan 0.000 0.434 377 W N 3.743 125.052 121.300 0.015 0.000 2.345 377 W HA 0.198 4.859 4.660 0.001 0.000 0.308 377 W C 1.559 178.089 176.519 0.018 0.000 1.273 377 W CA -0.647 56.733 57.345 0.059 0.000 1.243 377 W CB 0.257 29.757 29.460 0.067 0.000 1.260 377 W HN 0.585 nan 8.180 nan 0.000 0.509 378 I N 1.221 121.986 120.570 0.325 0.000 3.968 378 I HA 0.295 4.465 4.170 -0.001 0.000 0.328 378 I C -0.540 175.764 176.117 0.312 0.000 1.290 378 I CA 0.192 61.581 61.300 0.148 0.000 1.163 378 I CB 0.229 38.326 38.000 0.162 0.000 1.024 378 I HN 0.333 nan 8.210 nan 0.000 0.413 379 Y N 1.189 121.613 120.300 0.207 0.000 2.436 379 Y HA 0.599 5.149 4.550 0.001 0.000 0.327 379 Y C -2.322 173.551 175.900 -0.046 0.000 1.138 379 Y CA -1.853 56.278 58.100 0.050 0.000 1.042 379 Y CB 1.770 40.278 38.460 0.080 0.000 1.302 379 Y HN 0.065 nan 8.280 nan 0.000 0.439 380 F N 6.458 125.777 119.950 -1.051 0.000 2.722 380 F HA 0.324 4.850 4.527 -0.001 0.000 0.336 380 F C -0.241 174.839 175.800 -1.200 0.000 1.216 380 F CA -0.944 56.389 58.000 -1.111 0.000 1.065 380 F CB 1.010 39.487 39.000 -0.872 0.000 1.325 380 F HN 0.663 nan 8.300 nan 0.000 0.524 381 D N 4.537 124.005 120.400 -1.553 0.000 2.697 381 D HA -0.135 4.504 4.640 -0.001 0.000 0.235 381 D C 1.114 177.028 176.300 -0.644 0.000 1.167 381 D CA 2.292 55.662 54.000 -1.050 0.000 0.656 381 D CB -0.870 39.605 40.800 -0.542 0.000 1.025 381 D HN 1.462 nan 8.370 nan 0.000 0.419 382 G N -0.700 107.595 108.800 -0.841 0.000 2.184 382 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.264 382 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.264 382 G C 0.061 174.665 174.900 -0.493 0.000 0.975 382 G CA 0.561 45.401 45.100 -0.434 0.000 0.642 382 G HN 0.495 nan 8.290 nan 0.000 0.536 383 E N -0.689 119.109 120.200 -0.670 0.000 2.202 383 E HA 0.610 4.960 4.350 -0.001 0.000 0.272 383 E C -1.001 175.300 176.600 -0.498 0.000 0.951 383 E CA -0.820 55.308 56.400 -0.454 0.000 0.813 383 E CB 0.997 30.542 29.700 -0.258 0.000 1.151 383 E HN 0.227 nan 8.360 nan 0.000 0.398 384 Y N 1.960 122.282 120.300 0.037 0.000 2.854 384 Y HA 0.205 4.755 4.550 0.000 0.000 0.330 384 Y C -1.334 174.543 175.900 -0.039 0.000 1.037 384 Y CA -2.181 55.948 58.100 0.048 0.000 1.263 384 Y CB 0.966 39.501 38.460 0.124 0.000 1.120 384 Y HN 0.334 nan 8.280 nan 0.000 0.532 385 P HA -0.136 nan 4.420 nan 0.000 0.225 385 P C 1.133 178.418 177.300 -0.025 0.000 1.148 385 P CA 1.424 64.522 63.100 -0.003 0.000 0.779 385 P CB 0.214 31.911 31.700 -0.005 0.000 0.780 386 T N -2.841 111.655 114.554 -0.096 0.000 3.107 386 T HA 0.280 4.629 4.350 -0.001 0.000 0.249 386 T C 1.007 175.659 174.700 -0.081 0.000 1.096 386 T CA -0.318 61.702 62.100 -0.134 0.000 1.012 386 T CB -0.764 67.934 68.868 -0.282 0.000 0.977 386 T HN 0.220 nan 8.240 nan 0.000 0.527 387 I N -3.488 117.070 120.570 -0.020 0.000 3.191 387 I HA 0.585 4.755 4.170 -0.001 0.000 0.313 387 I C -1.697 174.476 176.117 0.094 0.000 1.193 387 I CA -1.278 60.055 61.300 0.056 0.000 0.968 387 I CB 2.028 40.084 38.000 0.093 0.000 1.262 387 I HN -0.285 nan 8.210 nan 0.000 0.456 388 D N 2.016 122.483 120.400 0.111 0.000 2.479 388 D HA 0.271 4.910 4.640 -0.001 0.000 0.218 388 D C 0.746 177.120 176.300 0.123 0.000 1.131 388 D CA 0.023 54.087 54.000 0.107 0.000 0.916 388 D CB 1.244 42.103 40.800 0.100 0.000 1.022 388 D HN 0.641 nan 8.370 nan 0.000 0.515 389 S N 3.002 118.784 115.700 0.138 0.000 2.369 389 S HA -0.219 4.251 4.470 -0.001 0.000 0.225 389 S C 1.595 176.259 174.600 0.106 0.000 1.043 389 S CA 1.054 59.342 58.200 0.148 0.000 1.074 389 S CB 0.024 63.348 63.200 0.207 0.000 0.962 389 S HN 0.560 nan 8.310 nan 0.000 0.433 390 E N 0.946 121.199 120.200 0.088 0.000 2.085 390 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 390 E C 2.098 178.730 176.600 0.053 0.000 0.994 390 E CA 0.986 57.423 56.400 0.062 0.000 0.801 390 E CB -0.447 29.283 29.700 0.050 0.000 0.743 390 E HN 0.732 nan 8.360 nan 0.000 0.453 391 E N 0.692 120.933 120.200 0.069 0.000 2.028 391 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 391 E C 2.172 178.811 176.600 0.064 0.000 0.988 391 E CA 1.253 57.693 56.400 0.066 0.000 0.799 391 E CB 0.121 29.880 29.700 0.098 0.000 0.755 391 E HN 0.011 nan 8.360 nan 0.000 0.447 392 V N 1.778 121.771 119.914 0.132 0.000 2.282 392 V HA -0.320 3.800 4.120 -0.001 0.000 0.249 392 V C 2.383 178.498 176.094 0.035 0.000 1.057 392 V CA 2.378 64.781 62.300 0.171 0.000 1.032 392 V CB -0.536 31.407 31.823 0.200 0.000 0.645 392 V HN 0.283 nan 8.190 nan 0.000 0.447 393 K N -0.299 120.120 120.400 0.032 0.000 2.063 393 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 393 K C 2.345 178.926 176.600 -0.031 0.000 1.048 393 K CA 1.493 57.783 56.287 0.005 0.000 0.928 393 K CB -0.286 32.229 32.500 0.025 0.000 0.713 393 K HN 0.473 nan 8.250 nan 0.000 0.442 394 R N 0.930 121.408 120.500 -0.037 0.000 2.073 394 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 394 R C 2.196 178.425 176.300 -0.117 0.000 1.134 394 R CA 1.109 57.175 56.100 -0.057 0.000 0.952 394 R CB -0.276 29.999 30.300 -0.041 0.000 0.850 394 R HN 0.220 nan 8.270 nan 0.000 0.433 395 E N 1.235 121.309 120.200 -0.210 0.000 2.058 395 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 395 E C 2.216 178.627 176.600 -0.315 0.000 0.997 395 E CA 1.133 57.293 56.400 -0.399 0.000 0.801 395 E CB -0.306 28.810 29.700 -0.973 0.000 0.746 395 E HN 0.350 nan 8.360 nan 0.000 0.450 396 L N 0.522 121.611 121.223 -0.223 0.000 2.079 396 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 396 L C 2.562 179.395 176.870 -0.062 0.000 1.081 396 L CA 1.147 55.926 54.840 -0.101 0.000 0.752 396 L CB -0.503 41.534 42.059 -0.036 0.000 0.896 396 L HN 0.080 nan 8.230 nan 0.000 0.433 397 A N 0.093 122.877 122.820 -0.060 0.000 1.902 397 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 397 A C 2.380 179.942 177.584 -0.037 0.000 1.181 397 A CA 1.369 53.386 52.037 -0.033 0.000 0.623 397 A CB -0.397 18.586 19.000 -0.029 0.000 0.818 397 A HN 0.342 nan 8.150 nan 0.000 0.443 398 R N -0.601 119.858 120.500 -0.068 0.000 2.075 398 R HA 0.020 4.359 4.340 -0.001 0.000 0.232 398 R C 1.994 178.259 176.300 -0.059 0.000 1.126 398 R CA 1.423 57.485 56.100 -0.064 0.000 0.963 398 R CB -0.500 29.748 30.300 -0.087 0.000 0.858 398 R HN 0.536 nan 8.270 nan 0.000 0.435 399 I N 1.003 121.528 120.570 -0.075 0.000 2.226 399 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 399 I C 2.629 178.728 176.117 -0.030 0.000 1.100 399 I CA 1.364 62.628 61.300 -0.059 0.000 1.374 399 I CB -0.283 37.687 38.000 -0.049 0.000 1.057 399 I HN 0.281 nan 8.210 nan 0.000 0.413 400 E N 1.353 121.563 120.200 0.018 0.000 2.085 400 E HA -0.269 4.081 4.350 -0.001 0.000 0.194 400 E C 2.139 178.800 176.600 0.102 0.000 0.994 400 E CA 1.454 57.920 56.400 0.110 0.000 0.801 400 E CB 0.119 29.883 29.700 0.108 0.000 0.743 400 E HN 0.416 nan 8.360 nan 0.000 0.453 401 K N 0.296 120.719 120.400 0.039 0.000 2.025 401 K HA -0.172 4.147 4.320 -0.001 0.000 0.207 401 K C 2.300 178.900 176.600 -0.000 0.000 1.049 401 K CA 1.356 57.660 56.287 0.028 0.000 0.933 401 K CB -0.156 32.347 32.500 0.005 0.000 0.714 401 K HN 0.191 nan 8.250 nan 0.000 0.438 402 E N 0.986 121.164 120.200 -0.035 0.000 2.051 402 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 402 E C 2.079 178.611 176.600 -0.113 0.000 0.991 402 E CA 0.815 57.177 56.400 -0.063 0.000 0.799 402 E CB 0.053 29.712 29.700 -0.069 0.000 0.748 402 E HN 0.078 nan 8.360 nan 0.000 0.449 403 L N -0.019 121.087 121.223 -0.194 0.000 2.046 403 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 403 L C 0.295 176.840 176.870 -0.541 0.000 1.077 403 L CA 1.547 56.133 54.840 -0.425 0.000 0.747 403 L CB -0.242 41.428 42.059 -0.649 0.000 0.896 403 L HN 0.090 nan 8.230 nan 0.000 0.432 404 Y N 0.000 120.292 120.300 -0.014 0.000 2.660 404 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 404 Y CA 0.000 58.091 58.100 -0.016 0.000 1.940 404 Y CB 0.000 38.450 38.460 -0.016 0.000 1.050 404 Y HN 0.000 nan 8.280 nan 0.000 0.758