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 2zct_1_G DATA FIRST_RESID 4 DATA SEQUENCE SIPLIGERFP EMEVTTDHGV IKLPDHYVSQ GKWFVLFSHP ADFTPVXTTE DATA SEQUENCE FVSFARRYED FQRLGVDLIG LSVDSVFSHI KWKEWIERHI GVRIPFPIIA DATA SEQUENCE DPQGTVARRL GLLXXXXATH TVRGVFIVDA RGVIRTMLYY PMELGRLVDE DATA SEQUENCE ILRIVKALKL GDSLKRAVPA DWPNNEIIGE GLIVPPPTTE DQARARMESG DATA SEQUENCE QYRSLDWWFC WDTPASRDDV EEARRYLRRA AEKPAKLLYE E 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.612 174.600 0.019 0.000 1.055 4 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 4 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 5 I N 1.647 122.240 120.570 0.038 0.000 2.428 5 I HA 0.684 4.854 4.170 -0.000 0.000 0.289 5 I C -2.126 174.052 176.117 0.102 0.000 1.019 5 I CA -1.839 59.529 61.300 0.112 0.000 1.351 5 I CB 0.468 38.561 38.000 0.154 0.000 1.412 5 I HN 0.182 nan 8.210 nan 0.000 0.513 6 P HA 0.231 nan 4.420 nan 0.000 0.271 6 P C -0.590 176.786 177.300 0.127 0.000 1.220 6 P CA -0.101 63.038 63.100 0.065 0.000 0.768 6 P CB 0.969 32.658 31.700 -0.020 0.000 0.848 7 L N 3.075 124.346 121.223 0.080 0.000 2.456 7 L HA 0.314 4.654 4.340 -0.000 0.000 0.257 7 L C 1.367 178.288 176.870 0.084 0.000 1.162 7 L CA -1.127 53.763 54.840 0.082 0.000 0.808 7 L CB 0.260 42.347 42.059 0.046 0.000 1.136 7 L HN 0.297 nan 8.230 nan 0.000 0.466 8 I N 0.988 121.604 120.570 0.077 0.000 2.710 8 I HA 0.036 4.206 4.170 -0.000 0.000 0.286 8 I C 1.137 177.276 176.117 0.037 0.000 1.181 8 I CA 1.654 62.991 61.300 0.061 0.000 1.430 8 I CB 0.706 38.737 38.000 0.052 0.000 1.367 8 I HN 0.857 nan 8.210 nan 0.000 0.577 9 G N 4.240 113.054 108.800 0.024 0.000 2.199 9 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 9 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 9 G C 0.166 175.071 174.900 0.009 0.000 0.982 9 G CA -0.094 45.010 45.100 0.008 0.000 0.632 9 G HN 0.600 nan 8.290 nan 0.000 0.529 10 E N 0.292 120.505 120.200 0.021 0.000 2.283 10 E HA 0.504 4.853 4.350 -0.000 0.000 0.271 10 E C 0.558 177.172 176.600 0.023 0.000 1.031 10 E CA -0.883 55.527 56.400 0.017 0.000 0.868 10 E CB 1.047 30.757 29.700 0.016 0.000 1.094 10 E HN 0.214 nan 8.360 nan 0.000 0.401 11 R N 1.400 121.912 120.500 0.019 0.000 2.543 11 R HA 0.065 4.405 4.340 -0.000 0.000 0.277 11 R C -0.356 175.985 176.300 0.068 0.000 1.074 11 R CA -0.229 55.898 56.100 0.046 0.000 1.076 11 R CB 0.322 30.646 30.300 0.040 0.000 0.993 11 R HN 0.423 nan 8.270 nan 0.000 0.459 12 F N 5.877 125.817 119.950 -0.016 0.000 2.602 12 F HA 0.085 4.612 4.527 -0.000 0.000 0.385 12 F C -1.661 174.138 175.800 -0.002 0.000 1.063 12 F CA -1.441 56.552 58.000 -0.011 0.000 1.233 12 F CB 0.432 39.464 39.000 0.053 0.000 1.067 12 F HN 0.412 nan 8.300 nan 0.000 0.564 13 P HA -0.088 nan 4.420 nan 0.000 0.261 13 P C -1.032 176.209 177.300 -0.099 0.000 1.183 13 P CA 0.243 63.155 63.100 -0.313 0.000 0.761 13 P CB 0.375 31.805 31.700 -0.451 0.000 0.785 14 E N 4.889 125.093 120.200 0.007 0.000 2.344 14 E HA 0.312 4.662 4.350 -0.000 0.000 0.270 14 E C -0.332 176.289 176.600 0.036 0.000 1.021 14 E CA -0.007 56.436 56.400 0.070 0.000 0.887 14 E CB 0.044 29.772 29.700 0.047 0.000 0.997 14 E HN 0.378 nan 8.360 nan 0.000 0.429 15 M N 1.653 121.294 119.600 0.069 0.000 2.562 15 M HA 0.430 4.910 4.480 -0.000 0.000 0.281 15 M C -1.247 175.072 176.300 0.030 0.000 1.195 15 M CA -0.902 54.420 55.300 0.037 0.000 0.888 15 M CB 1.833 34.453 32.600 0.033 0.000 1.731 15 M HN 0.349 nan 8.290 nan 0.000 0.493 16 E N 2.067 122.270 120.200 0.004 0.000 2.175 16 E HA 0.670 5.020 4.350 -0.000 0.000 0.278 16 E C -1.369 175.218 176.600 -0.021 0.000 0.969 16 E CA -0.854 55.536 56.400 -0.016 0.000 0.796 16 E CB 2.044 31.732 29.700 -0.020 0.000 1.104 16 E HN 0.650 nan 8.360 nan 0.000 0.395 17 V N 0.820 120.709 119.914 -0.043 0.000 2.876 17 V HA 0.581 4.700 4.120 -0.000 0.000 0.312 17 V C -0.349 175.705 176.094 -0.067 0.000 1.085 17 V CA -0.761 61.513 62.300 -0.043 0.000 0.945 17 V CB 1.878 33.681 31.823 -0.034 0.000 1.017 17 V HN 0.556 nan 8.190 nan 0.000 0.428 18 T N 3.652 118.171 114.554 -0.058 0.000 2.744 18 T HA 0.649 4.999 4.350 -0.000 0.000 0.291 18 T C 0.300 174.958 174.700 -0.070 0.000 0.957 18 T CA 0.228 62.285 62.100 -0.072 0.000 1.002 18 T CB 0.954 69.776 68.868 -0.076 0.000 0.919 18 T HN 1.254 nan 8.240 nan 0.000 0.468 19 T N -0.906 113.600 114.554 -0.080 0.000 2.927 19 T HA 0.389 4.739 4.350 -0.000 0.000 0.286 19 T C 0.692 175.366 174.700 -0.043 0.000 1.040 19 T CA -0.886 61.175 62.100 -0.066 0.000 1.010 19 T CB 1.292 70.084 68.868 -0.127 0.000 1.177 19 T HN 0.423 nan 8.240 nan 0.000 0.546 20 D N -1.356 119.037 120.400 -0.011 0.000 2.378 20 D HA -0.047 4.593 4.640 -0.000 0.000 0.227 20 D C 0.972 177.378 176.300 0.177 0.000 1.012 20 D CA 0.715 54.741 54.000 0.044 0.000 0.905 20 D CB -0.651 40.197 40.800 0.080 0.000 0.895 20 D HN 0.849 nan 8.370 nan 0.000 0.532 21 H N -1.045 117.984 119.070 -0.068 0.000 2.755 21 H HA 0.449 5.004 4.556 -0.000 0.000 0.273 21 H C 0.846 176.125 175.328 -0.082 0.000 1.055 21 H CA -0.246 55.761 56.048 -0.070 0.000 1.191 21 H CB 1.042 30.762 29.762 -0.070 0.000 1.536 21 H HN 0.279 nan 8.280 nan 0.000 0.529 22 G N 0.585 109.398 108.800 0.022 0.000 2.354 22 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.582 22 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.582 22 G C -1.274 173.577 174.900 -0.081 0.000 1.316 22 G CA -0.801 44.279 45.100 -0.035 0.000 0.995 22 G HN 0.036 nan 8.290 nan 0.000 0.573 23 V N 1.124 120.987 119.914 -0.085 0.000 2.498 23 V HA 0.626 4.746 4.120 -0.000 0.000 0.279 23 V C 0.992 176.996 176.094 -0.150 0.000 1.048 23 V CA 0.423 62.663 62.300 -0.101 0.000 0.967 23 V CB 0.607 32.390 31.823 -0.067 0.000 0.988 23 V HN 1.065 nan 8.190 nan 0.000 0.473 24 I N 1.329 121.783 120.570 -0.193 0.000 2.969 24 I HA 0.679 4.849 4.170 -0.000 0.000 0.307 24 I C -0.725 175.293 176.117 -0.165 0.000 1.149 24 I CA -1.224 59.915 61.300 -0.268 0.000 1.008 24 I CB 2.302 39.938 38.000 -0.607 0.000 1.232 24 I HN 0.418 nan 8.210 nan 0.000 0.435 25 K N 4.148 124.478 120.400 -0.117 0.000 2.211 25 K HA 0.631 4.951 4.320 -0.000 0.000 0.275 25 K C -1.374 175.195 176.600 -0.052 0.000 1.024 25 K CA -0.532 55.724 56.287 -0.052 0.000 0.887 25 K CB 1.164 33.654 32.500 -0.018 0.000 1.084 25 K HN 0.620 nan 8.250 nan 0.000 0.463 26 L N 6.394 127.615 121.223 -0.004 0.000 2.331 26 L HA 0.425 4.765 4.340 -0.000 0.000 0.275 26 L C -1.542 175.442 176.870 0.190 0.000 1.022 26 L CA -2.101 52.754 54.840 0.025 0.000 0.812 26 L CB 1.849 43.928 42.059 0.034 0.000 1.257 26 L HN 0.624 nan 8.230 nan 0.000 0.435 27 P HA 0.028 nan 4.420 nan 0.000 0.249 27 P C 0.207 177.579 177.300 0.119 0.000 1.229 27 P CA 0.209 63.418 63.100 0.180 0.000 0.788 27 P CB 0.317 32.236 31.700 0.365 0.000 1.072 28 D N -0.304 120.137 120.400 0.070 0.000 2.158 28 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 28 D C 1.848 178.129 176.300 -0.033 0.000 0.995 28 D CA 1.330 55.347 54.000 0.029 0.000 0.846 28 D CB -1.082 39.730 40.800 0.019 0.000 0.941 28 D HN 0.316 nan 8.370 nan 0.000 0.456 29 H N -1.176 117.758 119.070 -0.226 0.000 2.390 29 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 29 H C 1.382 176.431 175.328 -0.465 0.000 1.106 29 H CA 1.717 57.515 56.048 -0.416 0.000 1.297 29 H CB -0.129 29.223 29.762 -0.683 0.000 1.375 29 H HN 0.322 nan 8.280 nan 0.000 0.509 30 Y N -1.914 118.321 120.300 -0.109 0.000 2.343 30 Y HA 0.003 4.553 4.550 -0.000 0.000 0.294 30 Y C 2.651 178.550 175.900 -0.000 0.000 1.122 30 Y CA 0.576 58.638 58.100 -0.064 0.000 1.173 30 Y CB -0.051 38.427 38.460 0.030 0.000 1.077 30 Y HN -0.008 nan 8.280 nan 0.000 0.542 31 V N 0.285 120.298 119.914 0.165 0.000 2.282 31 V HA -0.352 3.768 4.120 -0.000 0.000 0.249 31 V C 2.393 178.511 176.094 0.040 0.000 1.057 31 V CA 2.403 64.761 62.300 0.097 0.000 1.032 31 V CB -1.091 30.778 31.823 0.078 0.000 0.645 31 V HN 0.588 nan 8.190 nan 0.000 0.447 32 S N -0.108 115.584 115.700 -0.012 0.000 2.474 32 S HA -0.214 4.256 4.470 -0.000 0.000 0.235 32 S C 1.600 176.176 174.600 -0.041 0.000 0.997 32 S CA 1.266 59.444 58.200 -0.037 0.000 0.949 32 S CB -0.393 62.765 63.200 -0.070 0.000 0.766 32 S HN 0.783 nan 8.310 nan 0.000 0.517 33 Q N 0.432 120.208 119.800 -0.040 0.000 2.280 33 Q HA 0.363 4.703 4.340 -0.000 0.000 0.201 33 Q C 1.137 177.169 176.000 0.054 0.000 0.890 33 Q CA 0.116 55.912 55.803 -0.013 0.000 0.947 33 Q CB 0.241 28.954 28.738 -0.040 0.000 1.081 33 Q HN 0.692 nan 8.270 nan 0.000 0.502 34 G N 1.736 110.581 108.800 0.075 0.000 2.203 34 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.263 34 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.263 34 G C -0.149 174.864 174.900 0.189 0.000 1.012 34 G CA 0.323 45.492 45.100 0.114 0.000 0.749 34 G HN 0.068 nan 8.290 nan 0.000 0.512 35 K N -0.812 119.720 120.400 0.221 0.000 2.130 35 K HA 0.613 4.933 4.320 -0.000 0.000 0.268 35 K C 0.188 177.014 176.600 0.378 0.000 0.983 35 K CA -0.898 55.574 56.287 0.307 0.000 0.893 35 K CB 0.469 33.156 32.500 0.312 0.000 1.066 35 K HN 0.211 nan 8.250 nan 0.000 0.450 36 W N 3.356 124.703 121.300 0.078 0.000 2.129 36 W HA 0.355 5.015 4.660 -0.000 0.000 0.349 36 W C 0.158 176.675 176.519 -0.002 0.000 1.279 36 W CA -0.156 57.196 57.345 0.011 0.000 1.306 36 W CB 0.089 29.533 29.460 -0.026 0.000 1.140 36 W HN 0.450 nan 8.180 nan 0.000 0.613 37 F N -1.122 118.782 119.950 -0.077 0.000 2.613 37 F HA 0.771 5.298 4.527 -0.000 0.000 0.310 37 F C -1.406 174.271 175.800 -0.205 0.000 1.085 37 F CA -1.702 56.091 58.000 -0.345 0.000 0.945 37 F CB 0.712 39.142 39.000 -0.950 0.000 1.298 37 F HN -0.063 nan 8.300 nan 0.000 0.455 38 V N 3.809 123.664 119.914 -0.098 0.000 2.357 38 V HA 0.410 4.530 4.120 -0.000 0.000 0.284 38 V C -0.551 175.514 176.094 -0.048 0.000 1.018 38 V CA -0.650 61.595 62.300 -0.093 0.000 0.841 38 V CB 1.444 33.191 31.823 -0.126 0.000 0.991 38 V HN 0.865 nan 8.190 nan 0.000 0.437 39 L N 7.233 128.479 121.223 0.039 0.000 2.282 39 L HA 0.738 5.078 4.340 -0.000 0.000 0.288 39 L C -1.028 175.893 176.870 0.086 0.000 1.033 39 L CA -0.372 54.461 54.840 -0.012 0.000 0.807 39 L CB 0.828 42.983 42.059 0.160 0.000 1.209 39 L HN 0.680 nan 8.230 nan 0.000 0.423 40 F N 2.520 122.426 119.950 -0.072 0.000 2.540 40 F HA 0.790 5.317 4.527 -0.000 0.000 0.317 40 F C -0.308 175.535 175.800 0.072 0.000 1.104 40 F CA -0.769 57.211 58.000 -0.033 0.000 0.913 40 F CB 1.387 40.318 39.000 -0.114 0.000 1.170 40 F HN 0.391 nan 8.300 nan 0.000 0.450 41 S N 2.146 117.901 115.700 0.092 0.000 2.607 41 S HA 0.706 5.175 4.470 -0.000 0.000 0.303 41 S C -1.533 172.900 174.600 -0.278 0.000 1.086 41 S CA -0.555 57.681 58.200 0.061 0.000 0.995 41 S CB 1.612 64.911 63.200 0.165 0.000 1.084 41 S HN 0.858 nan 8.310 nan 0.000 0.507 42 H N 0.464 119.678 119.070 0.239 0.000 2.974 42 H HA 0.324 4.879 4.556 -0.000 0.000 0.366 42 H C -2.478 172.950 175.328 0.166 0.000 1.155 42 H CA -1.468 54.713 56.048 0.222 0.000 1.186 42 H CB 2.072 32.006 29.762 0.286 0.000 1.799 42 H HN 0.360 nan 8.280 nan 0.000 0.541 43 P HA 0.001 nan 4.420 nan 0.000 0.218 43 P C -0.235 177.131 177.300 0.111 0.000 1.149 43 P CA 1.173 64.363 63.100 0.151 0.000 0.817 43 P CB 0.726 32.518 31.700 0.153 0.000 0.785 44 A N -1.853 121.015 122.820 0.079 0.000 2.583 44 A HA 0.413 4.732 4.320 -0.000 0.000 0.292 44 A C -1.627 175.770 177.584 -0.312 0.000 1.045 44 A CA -0.714 51.299 52.037 -0.039 0.000 0.672 44 A CB 0.202 19.172 19.000 -0.051 0.000 1.283 44 A HN -0.235 nan 8.150 nan 0.000 0.419 45 D N -0.373 119.745 120.400 -0.469 0.000 2.354 45 D HA 0.601 5.241 4.640 -0.000 0.000 0.247 45 D C 0.181 175.735 176.300 -1.244 0.000 1.138 45 D CA 0.324 53.522 54.000 -1.336 0.000 0.958 45 D CB -0.091 40.328 40.800 -0.634 0.000 1.144 45 D HN 0.583 nan 8.370 nan 0.000 0.458 46 F N -1.363 117.315 119.950 -2.121 0.000 3.074 46 F HA -0.235 4.292 4.527 -0.000 0.000 0.287 46 F C 0.362 175.761 175.800 -0.668 0.000 0.932 46 F CA 0.444 57.766 58.000 -1.130 0.000 0.995 46 F CB -2.047 36.536 39.000 -0.696 0.000 0.966 46 F HN 0.173 nan 8.300 nan 0.000 0.721 47 T N -2.269 111.990 114.554 -0.493 0.000 2.829 47 T HA 0.534 4.884 4.350 -0.000 0.000 0.280 47 T C -1.195 173.471 174.700 -0.058 0.000 0.999 47 T CA -1.660 60.320 62.100 -0.199 0.000 0.983 47 T CB 2.752 71.529 68.868 -0.151 0.000 0.968 47 T HN -0.128 nan 8.240 nan 0.000 0.446 48 P HA 0.013 nan 4.420 nan 0.000 0.215 48 P C 0.987 178.314 177.300 0.046 0.000 1.157 48 P CA 0.278 63.386 63.100 0.013 0.000 0.859 48 P CB -0.043 31.658 31.700 0.002 0.000 0.786 52 T N 1.534 116.136 114.554 0.081 0.000 2.759 52 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 52 T C 1.534 176.283 174.700 0.083 0.000 1.042 52 T CA 1.982 64.134 62.100 0.087 0.000 1.140 52 T CB -0.351 68.554 68.868 0.062 0.000 0.864 52 T HN 0.498 nan 8.240 nan 0.000 0.455 53 E N 0.195 120.453 120.200 0.096 0.000 2.072 53 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 53 E C 1.955 178.755 176.600 0.335 0.000 0.985 53 E CA 0.859 57.327 56.400 0.112 0.000 0.801 53 E CB -0.253 29.577 29.700 0.217 0.000 0.750 53 E HN 0.402 nan 8.360 nan 0.000 0.452 54 F N 0.745 120.795 119.950 0.166 0.000 2.091 54 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 54 F C 2.322 178.270 175.800 0.246 0.000 1.103 54 F CA 0.706 58.878 58.000 0.288 0.000 1.228 54 F CB -1.018 37.980 39.000 -0.003 0.000 0.984 54 F HN -0.106 nan 8.300 nan 0.000 0.477 55 V N -1.191 118.915 119.914 0.321 0.000 2.407 55 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 55 V C 2.562 178.747 176.094 0.152 0.000 1.055 55 V CA 1.889 64.305 62.300 0.193 0.000 1.049 55 V CB -0.851 31.059 31.823 0.146 0.000 0.662 55 V HN 0.397 nan 8.190 nan 0.000 0.455 56 S N -0.714 115.037 115.700 0.086 0.000 2.368 56 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 56 S C 1.900 176.496 174.600 -0.006 0.000 1.029 56 S CA 1.451 59.633 58.200 -0.029 0.000 0.988 56 S CB -0.396 62.694 63.200 -0.184 0.000 0.838 56 S HN 0.531 nan 8.310 nan 0.000 0.462 57 F N 1.780 121.762 119.950 0.053 0.000 2.102 57 F HA -0.031 4.495 4.527 -0.000 0.000 0.298 57 F C 2.705 178.655 175.800 0.250 0.000 1.105 57 F CA 0.925 58.944 58.000 0.032 0.000 1.239 57 F CB -0.562 38.237 39.000 -0.336 0.000 0.991 57 F HN 0.299 nan 8.300 nan 0.000 0.474 58 A N 0.383 123.505 122.820 0.504 0.000 1.908 58 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 58 A C 2.193 179.937 177.584 0.266 0.000 1.181 58 A CA 1.708 53.944 52.037 0.331 0.000 0.627 58 A CB -0.702 18.377 19.000 0.131 0.000 0.818 58 A HN 0.320 nan 8.150 nan 0.000 0.445 59 R N -0.955 119.669 120.500 0.206 0.000 2.148 59 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 59 R C 1.611 178.022 176.300 0.185 0.000 1.103 59 R CA 1.309 57.503 56.100 0.157 0.000 0.983 59 R CB -0.166 30.193 30.300 0.100 0.000 0.874 59 R HN 0.445 nan 8.270 nan 0.000 0.451 60 R N -0.690 119.956 120.500 0.244 0.000 2.388 60 R HA 0.023 4.363 4.340 -0.000 0.000 0.247 60 R C 1.091 177.632 176.300 0.401 0.000 0.931 60 R CA -0.136 56.104 56.100 0.234 0.000 1.082 60 R CB 0.044 30.445 30.300 0.168 0.000 1.135 60 R HN 0.190 nan 8.270 nan 0.000 0.525 61 Y N 1.961 122.445 120.300 0.307 0.000 2.151 61 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 61 Y C 2.157 178.211 175.900 0.257 0.000 1.166 61 Y CA 1.806 60.102 58.100 0.327 0.000 1.163 61 Y CB 0.113 38.721 38.460 0.246 0.000 0.974 61 Y HN 0.089 nan 8.280 nan 0.000 0.511 62 E N -0.402 119.906 120.200 0.181 0.000 2.110 62 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 62 E C 1.565 178.167 176.600 0.002 0.000 0.988 62 E CA 1.388 57.818 56.400 0.049 0.000 0.804 62 E CB -0.084 29.674 29.700 0.096 0.000 0.745 62 E HN 0.534 nan 8.360 nan 0.000 0.458 63 D N -0.343 120.060 120.400 0.006 0.000 2.144 63 D HA -0.141 4.498 4.640 -0.000 0.000 0.199 63 D C 1.624 177.803 176.300 -0.203 0.000 0.984 63 D CA 0.849 54.790 54.000 -0.099 0.000 0.834 63 D CB -0.336 40.360 40.800 -0.174 0.000 0.955 63 D HN 0.214 nan 8.370 nan 0.000 0.465 64 F N 1.107 121.001 119.950 -0.092 0.000 2.146 64 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 64 F C 2.650 178.362 175.800 -0.147 0.000 1.096 64 F CA 0.873 58.802 58.000 -0.119 0.000 1.275 64 F CB -0.223 38.724 39.000 -0.090 0.000 1.008 64 F HN -0.086 nan 8.300 nan 0.000 0.480 65 Q N -0.067 119.705 119.800 -0.047 0.000 2.096 65 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 65 Q C 2.329 178.304 176.000 -0.040 0.000 0.982 65 Q CA 1.329 57.071 55.803 -0.102 0.000 0.850 65 Q CB -0.234 28.388 28.738 -0.192 0.000 0.901 65 Q HN 0.383 nan 8.270 nan 0.000 0.422 66 R N 0.221 120.700 120.500 -0.036 0.000 2.105 66 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 66 R C 1.953 178.236 176.300 -0.029 0.000 1.135 66 R CA 1.030 57.117 56.100 -0.022 0.000 0.967 66 R CB -0.185 30.107 30.300 -0.013 0.000 0.861 66 R HN 0.276 nan 8.270 nan 0.000 0.442 67 L N -0.500 120.695 121.223 -0.047 0.000 2.591 67 L HA 0.186 4.526 4.340 -0.000 0.000 0.228 67 L C 0.983 177.801 176.870 -0.087 0.000 1.133 67 L CA 0.277 55.066 54.840 -0.085 0.000 0.880 67 L CB 0.093 42.073 42.059 -0.133 0.000 1.033 67 L HN 0.388 nan 8.230 nan 0.000 0.450 68 G N 0.997 109.784 108.800 -0.022 0.000 2.221 68 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 68 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 68 G C -0.089 174.857 174.900 0.075 0.000 1.041 68 G CA 0.104 45.221 45.100 0.028 0.000 0.807 68 G HN 0.147 nan 8.290 nan 0.000 0.502 69 V N 0.654 120.615 119.914 0.078 0.000 2.417 69 V HA 0.475 4.595 4.120 -0.000 0.000 0.291 69 V C -0.034 176.117 176.094 0.095 0.000 1.024 69 V CA -1.084 61.302 62.300 0.144 0.000 0.861 69 V CB 1.787 33.735 31.823 0.209 0.000 0.985 69 V HN 0.271 nan 8.190 nan 0.000 0.436 70 D N 3.457 123.888 120.400 0.052 0.000 2.340 70 D HA 0.626 5.266 4.640 -0.000 0.000 0.251 70 D C -0.469 175.737 176.300 -0.157 0.000 1.080 70 D CA -0.170 53.823 54.000 -0.012 0.000 0.971 70 D CB 2.103 42.928 40.800 0.042 0.000 1.137 70 D HN 0.285 nan 8.370 nan 0.000 0.475 71 L N 1.378 122.517 121.223 -0.139 0.000 2.365 71 L HA 0.609 4.948 4.340 -0.000 0.000 0.273 71 L C -0.423 176.248 176.870 -0.331 0.000 1.000 71 L CA -0.804 53.846 54.840 -0.316 0.000 0.819 71 L CB 2.268 44.072 42.059 -0.424 0.000 1.284 71 L HN 0.210 nan 8.230 nan 0.000 0.418 72 I N 1.218 121.441 120.570 -0.578 0.000 2.610 72 I HA 0.590 4.760 4.170 -0.000 0.000 0.289 72 I C -0.115 175.323 176.117 -1.132 0.000 1.163 72 I CA -0.153 60.785 61.300 -0.603 0.000 1.044 72 I CB 1.873 39.666 38.000 -0.344 0.000 1.251 72 I HN 0.622 nan 8.210 nan 0.000 0.424 73 G N 6.063 114.230 108.800 -1.055 0.000 2.502 73 G HA2 0.615 4.575 3.960 -0.000 0.000 0.305 73 G HA3 0.615 4.575 3.960 -0.000 0.000 0.305 73 G C -1.601 173.079 174.900 -0.368 0.000 1.190 73 G CA -0.494 43.980 45.100 -1.044 0.000 0.933 73 G HN 0.582 nan 8.290 nan 0.000 0.503 74 L N 0.088 121.267 121.223 -0.073 0.000 2.505 74 L HA 0.755 5.095 4.340 -0.000 0.000 0.266 74 L C -0.536 176.483 176.870 0.248 0.000 0.954 74 L CA -0.516 54.373 54.840 0.081 0.000 0.852 74 L CB 2.117 44.222 42.059 0.077 0.000 1.282 74 L HN 0.626 nan 8.230 nan 0.000 0.403 75 S N 3.175 119.035 115.700 0.266 0.000 2.540 75 S HA 0.665 5.135 4.470 -0.000 0.000 0.275 75 S C -1.069 173.730 174.600 0.331 0.000 1.123 75 S CA -0.545 57.853 58.200 0.332 0.000 0.907 75 S CB 1.710 65.126 63.200 0.360 0.000 1.081 75 S HN 0.505 nan 8.310 nan 0.000 0.476 76 V N 4.953 125.006 119.914 0.232 0.000 2.149 76 V HA 0.414 4.534 4.120 -0.000 0.000 0.245 76 V C -0.175 176.009 176.094 0.151 0.000 1.349 76 V CA 0.238 62.633 62.300 0.157 0.000 1.289 76 V CB -0.999 30.885 31.823 0.102 0.000 1.401 76 V HN 0.741 nan 8.190 nan 0.000 0.501 77 D N 0.527 121.034 120.400 0.179 0.000 2.710 77 D HA 0.290 4.930 4.640 -0.000 0.000 0.276 77 D C -0.376 175.832 176.300 -0.154 0.000 1.267 77 D CA -0.309 53.741 54.000 0.084 0.000 0.772 77 D CB 2.349 43.253 40.800 0.173 0.000 1.299 77 D HN 0.439 nan 8.370 nan 0.000 0.421 78 S N -0.842 114.755 115.700 -0.172 0.000 2.632 78 S HA 0.249 4.718 4.470 -0.000 0.000 0.267 78 S C 1.761 176.020 174.600 -0.568 0.000 1.276 78 S CA -0.136 57.902 58.200 -0.270 0.000 0.998 78 S CB 1.135 64.326 63.200 -0.014 0.000 0.953 78 S HN 0.420 nan 8.310 nan 0.000 0.547 79 V N -0.977 118.570 119.914 -0.610 0.000 2.469 79 V HA -0.145 3.975 4.120 -0.000 0.000 0.251 79 V C 1.819 177.678 176.094 -0.391 0.000 1.064 79 V CA 1.619 63.579 62.300 -0.568 0.000 1.066 79 V CB -1.698 29.784 31.823 -0.569 0.000 0.667 79 V HN 0.822 nan 8.190 nan 0.000 0.461 80 F N 1.358 121.301 119.950 -0.011 0.000 2.113 80 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 80 F C 3.071 178.950 175.800 0.130 0.000 1.103 80 F CA 1.825 59.862 58.000 0.061 0.000 1.248 80 F CB -0.992 38.037 39.000 0.048 0.000 0.999 80 F HN 0.209 nan 8.300 nan 0.000 0.475 81 S N -0.643 115.217 115.700 0.266 0.000 2.368 81 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 81 S C 2.031 176.870 174.600 0.397 0.000 1.030 81 S CA 1.496 59.896 58.200 0.334 0.000 0.999 81 S CB -0.450 62.909 63.200 0.265 0.000 0.844 81 S HN 0.353 nan 8.310 nan 0.000 0.459 82 H N 1.180 120.373 119.070 0.204 0.000 2.353 82 H HA 0.068 4.624 4.556 -0.000 0.000 0.300 82 H C 2.080 177.516 175.328 0.181 0.000 1.090 82 H CA 1.489 57.676 56.048 0.231 0.000 1.327 82 H CB -0.687 29.156 29.762 0.134 0.000 1.383 82 H HN 0.445 nan 8.280 nan 0.000 0.508 83 I N 0.348 121.089 120.570 0.284 0.000 2.315 83 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 83 I C 2.159 178.426 176.117 0.251 0.000 1.117 83 I CA 0.936 62.361 61.300 0.209 0.000 1.404 83 I CB -0.074 38.029 38.000 0.172 0.000 1.071 83 I HN 0.055 nan 8.210 nan 0.000 0.419 84 K N -0.040 120.561 120.400 0.336 0.000 2.097 84 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 84 K C 1.784 178.681 176.600 0.496 0.000 1.050 84 K CA 1.180 57.729 56.287 0.436 0.000 0.938 84 K CB -0.627 32.197 32.500 0.539 0.000 0.718 84 K HN 0.402 nan 8.250 nan 0.000 0.442 85 W N 2.711 123.984 121.300 -0.044 0.000 2.355 85 W HA -0.131 4.529 4.660 -0.000 0.000 0.309 85 W C 1.706 178.219 176.519 -0.010 0.000 1.206 85 W CA 1.318 58.368 57.345 -0.492 0.000 1.284 85 W CB -0.338 28.665 29.460 -0.762 0.000 1.145 85 W HN 0.007 nan 8.180 nan 0.000 0.502 86 K N -0.074 120.377 120.400 0.085 0.000 2.057 86 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 86 K C 1.961 178.620 176.600 0.098 0.000 1.049 86 K CA 1.817 58.086 56.287 -0.030 0.000 0.931 86 K CB -0.438 32.004 32.500 -0.097 0.000 0.714 86 K HN 0.174 nan 8.250 nan 0.000 0.440 87 E N -0.199 120.108 120.200 0.178 0.000 2.085 87 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 87 E C 1.720 178.483 176.600 0.271 0.000 0.994 87 E CA 1.306 57.821 56.400 0.191 0.000 0.801 87 E CB -0.136 29.698 29.700 0.223 0.000 0.743 87 E HN 0.415 nan 8.360 nan 0.000 0.453 88 W N 1.202 122.660 121.300 0.264 0.000 2.355 88 W HA -0.168 4.492 4.660 -0.000 0.000 0.309 88 W C 1.855 178.568 176.519 0.323 0.000 1.206 88 W CA 1.381 58.961 57.345 0.392 0.000 1.284 88 W CB -0.166 29.600 29.460 0.511 0.000 1.145 88 W HN -0.049 nan 8.180 nan 0.000 0.502 89 I N 0.434 121.322 120.570 0.531 0.000 2.179 89 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 89 I C 2.483 178.620 176.117 0.032 0.000 1.088 89 I CA 2.054 63.540 61.300 0.310 0.000 1.357 89 I CB -0.806 37.321 38.000 0.212 0.000 1.051 89 I HN 0.091 nan 8.210 nan 0.000 0.409 90 E N 1.137 121.344 120.200 0.011 0.000 2.085 90 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 90 E C 2.378 178.913 176.600 -0.108 0.000 0.994 90 E CA 1.328 57.700 56.400 -0.047 0.000 0.801 90 E CB 0.002 29.677 29.700 -0.040 0.000 0.743 90 E HN 0.318 nan 8.360 nan 0.000 0.453 91 R N -0.790 119.617 120.500 -0.156 0.000 2.073 91 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 91 R C 2.058 178.061 176.300 -0.495 0.000 1.120 91 R CA 1.559 57.472 56.100 -0.311 0.000 0.967 91 R CB -0.072 30.017 30.300 -0.351 0.000 0.862 91 R HN 0.348 nan 8.270 nan 0.000 0.436 92 H N -1.006 117.753 119.070 -0.520 0.000 2.582 92 H HA 0.134 4.690 4.556 -0.000 0.000 0.269 92 H C 1.750 176.871 175.328 -0.345 0.000 0.962 92 H CA 0.955 56.651 56.048 -0.587 0.000 1.230 92 H CB 0.680 29.698 29.762 -1.240 0.000 1.445 92 H HN 0.252 nan 8.280 nan 0.000 0.528 93 I N -0.828 119.648 120.570 -0.157 0.000 3.939 93 I HA 0.118 4.288 4.170 -0.000 0.000 0.313 93 I C 1.369 177.471 176.117 -0.025 0.000 1.274 93 I CA 0.612 61.900 61.300 -0.019 0.000 1.301 93 I CB 0.821 38.869 38.000 0.079 0.000 1.105 93 I HN 0.261 nan 8.210 nan 0.000 0.427 94 G N 1.969 110.732 108.800 -0.061 0.000 2.132 94 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.234 94 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.234 94 G C -0.016 174.865 174.900 -0.032 0.000 0.989 94 G CA -0.041 45.027 45.100 -0.054 0.000 0.676 94 G HN 0.157 nan 8.290 nan 0.000 0.522 95 V N 0.542 120.443 119.914 -0.022 0.000 2.444 95 V HA 0.543 4.662 4.120 -0.000 0.000 0.294 95 V C 0.666 176.730 176.094 -0.050 0.000 1.022 95 V CA -0.975 61.314 62.300 -0.018 0.000 0.850 95 V CB 1.639 33.472 31.823 0.017 0.000 0.992 95 V HN 0.458 nan 8.190 nan 0.000 0.426 96 R N 4.672 125.126 120.500 -0.077 0.000 2.389 96 R HA 0.392 4.731 4.340 -0.000 0.000 0.295 96 R C -0.610 175.562 176.300 -0.213 0.000 1.075 96 R CA -0.515 55.510 56.100 -0.125 0.000 1.005 96 R CB 0.537 30.768 30.300 -0.116 0.000 0.987 96 R HN 0.534 nan 8.270 nan 0.000 0.452 97 I N 8.438 128.822 120.570 -0.310 0.000 2.301 97 I HA 0.164 4.333 4.170 -0.000 0.000 0.292 97 I C -1.416 174.296 176.117 -0.675 0.000 1.046 97 I CA -2.614 58.326 61.300 -0.600 0.000 1.282 97 I CB 1.165 38.705 38.000 -0.766 0.000 1.409 97 I HN 0.663 nan 8.210 nan 0.000 0.484 98 P HA 0.033 nan 4.420 nan 0.000 0.239 98 P C 0.063 177.170 177.300 -0.323 0.000 1.188 98 P CA 0.435 63.213 63.100 -0.536 0.000 0.794 98 P CB 0.165 31.329 31.700 -0.892 0.000 0.937 99 F N 0.958 120.763 119.950 -0.241 0.000 2.399 99 F HA 0.730 5.257 4.527 -0.000 0.000 0.328 99 F C -2.534 172.969 175.800 -0.495 0.000 1.084 99 F CA -4.003 53.869 58.000 -0.214 0.000 1.053 99 F CB -0.785 38.115 39.000 -0.167 0.000 1.209 99 F HN -0.287 nan 8.300 nan 0.000 0.502 100 P HA 0.295 nan 4.420 nan 0.000 0.272 100 P C -0.770 176.327 177.300 -0.338 0.000 1.230 100 P CA -0.012 62.624 63.100 -0.774 0.000 0.788 100 P CB 1.586 32.916 31.700 -0.615 0.000 0.949 101 I N 2.065 122.462 120.570 -0.289 0.000 2.436 101 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 101 I C 0.622 176.726 176.117 -0.023 0.000 1.010 101 I CA -1.145 60.036 61.300 -0.197 0.000 1.098 101 I CB 1.564 39.382 38.000 -0.303 0.000 1.266 101 I HN 0.159 nan 8.210 nan 0.000 0.434 102 I N 5.240 125.795 120.570 -0.026 0.000 2.598 102 I HA 0.138 4.308 4.170 -0.000 0.000 0.284 102 I C 0.843 177.105 176.117 0.242 0.000 1.140 102 I CA 0.212 61.543 61.300 0.051 0.000 1.420 102 I CB 0.768 38.776 38.000 0.013 0.000 1.387 102 I HN 0.644 nan 8.210 nan 0.000 0.553 103 A N 4.951 127.854 122.820 0.138 0.000 2.302 103 A HA 0.274 4.594 4.320 -0.000 0.000 0.295 103 A C -0.084 177.514 177.584 0.022 0.000 1.235 103 A CA -0.241 51.804 52.037 0.013 0.000 0.876 103 A CB 0.077 18.941 19.000 -0.227 0.000 1.133 103 A HN 0.716 nan 8.150 nan 0.000 0.533 104 D N 3.323 123.768 120.400 0.074 0.000 2.886 104 D HA 0.274 4.914 4.640 -0.000 0.000 0.355 104 D C -2.549 173.777 176.300 0.043 0.000 1.274 104 D CA -1.531 52.504 54.000 0.059 0.000 0.836 104 D CB 0.826 41.682 40.800 0.092 0.000 1.109 104 D HN 0.324 nan 8.370 nan 0.000 0.488 105 P HA 0.119 nan 4.420 nan 0.000 0.278 105 P C 0.087 177.397 177.300 0.016 0.000 1.238 105 P CA 0.236 63.345 63.100 0.016 0.000 0.794 105 P CB 1.507 33.210 31.700 0.004 0.000 0.955 106 Q N 1.092 120.902 119.800 0.017 0.000 2.404 106 Q HA -0.200 4.140 4.340 -0.000 0.000 0.151 106 Q C 1.040 177.050 176.000 0.015 0.000 0.589 106 Q CA 1.129 56.940 55.803 0.013 0.000 1.298 106 Q CB -2.339 26.404 28.738 0.009 0.000 1.175 106 Q HN 0.919 nan 8.270 nan 0.000 1.025 107 G N -0.277 108.538 108.800 0.025 0.000 2.179 107 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.257 107 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.257 107 G C 0.506 175.419 174.900 0.023 0.000 1.010 107 G CA 1.291 46.410 45.100 0.031 0.000 0.736 107 G HN 0.383 nan 8.290 nan 0.000 0.513 108 T N -0.068 114.495 114.554 0.015 0.000 2.684 108 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 108 T C 2.588 177.289 174.700 0.001 0.000 1.036 108 T CA 1.872 63.975 62.100 0.005 0.000 1.148 108 T CB -0.199 68.669 68.868 0.001 0.000 0.863 108 T HN 0.355 nan 8.240 nan 0.000 0.436 109 V N 1.713 121.633 119.914 0.010 0.000 2.307 109 V HA -0.128 3.991 4.120 -0.000 0.000 0.245 109 V C 2.923 179.020 176.094 0.005 0.000 1.045 109 V CA 1.594 63.897 62.300 0.004 0.000 1.024 109 V CB -1.303 30.535 31.823 0.026 0.000 0.651 109 V HN 0.536 nan 8.190 nan 0.000 0.449 110 A N -0.041 122.802 122.820 0.038 0.000 1.902 110 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 110 A C 2.400 180.011 177.584 0.044 0.000 1.181 110 A CA 1.872 53.946 52.037 0.062 0.000 0.623 110 A CB -0.521 18.529 19.000 0.084 0.000 0.818 110 A HN 0.487 nan 8.150 nan 0.000 0.443 111 R N -1.219 119.295 120.500 0.024 0.000 2.096 111 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 111 R C 2.431 178.725 176.300 -0.010 0.000 1.127 111 R CA 1.605 57.712 56.100 0.011 0.000 0.968 111 R CB -0.242 30.060 30.300 0.004 0.000 0.861 111 R HN 0.491 nan 8.270 nan 0.000 0.440 112 R N 1.061 121.541 120.500 -0.033 0.000 2.148 112 R HA -0.042 4.298 4.340 -0.000 0.000 0.227 112 R C 1.560 177.791 176.300 -0.114 0.000 1.103 112 R CA 1.208 57.264 56.100 -0.073 0.000 0.983 112 R CB -0.162 30.085 30.300 -0.088 0.000 0.874 112 R HN 0.195 nan 8.270 nan 0.000 0.451 113 L N -0.867 120.294 121.223 -0.102 0.000 2.592 113 L HA 0.317 4.657 4.340 -0.000 0.000 0.227 113 L C 0.982 177.892 176.870 0.066 0.000 1.127 113 L CA 0.389 55.154 54.840 -0.124 0.000 0.884 113 L CB 0.253 42.182 42.059 -0.217 0.000 1.065 113 L HN 0.556 nan 8.230 nan 0.000 0.457 114 G N 0.338 109.171 108.800 0.054 0.000 2.143 114 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.249 114 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.249 114 G C 0.635 175.598 174.900 0.106 0.000 0.981 114 G CA 0.217 45.361 45.100 0.072 0.000 0.665 114 G HN 0.337 nan 8.290 nan 0.000 0.528 115 L N -0.952 120.357 121.223 0.143 0.000 2.591 115 L HA 0.506 4.846 4.340 -0.000 0.000 0.228 115 L C 1.406 178.335 176.870 0.099 0.000 1.133 115 L CA 0.311 55.251 54.840 0.167 0.000 0.880 115 L CB 0.049 42.249 42.059 0.235 0.000 1.033 115 L HN 0.297 nan 8.230 nan 0.000 0.450 122 T N 0.063 114.393 114.554 -0.375 0.000 3.086 122 T HA 0.145 4.494 4.350 -0.000 0.000 0.250 122 T C 1.277 175.942 174.700 -0.058 0.000 1.074 122 T CA 0.579 62.589 62.100 -0.150 0.000 0.988 122 T CB -0.521 68.312 68.868 -0.058 0.000 0.988 122 T HN 0.517 nan 8.240 nan 0.000 0.530 123 H N 0.968 120.066 119.070 0.046 0.000 2.460 123 H HA -0.062 4.494 4.556 -0.000 0.000 0.297 123 H C 2.495 177.861 175.328 0.064 0.000 1.103 123 H CA 1.818 57.896 56.048 0.050 0.000 1.292 123 H CB -0.981 28.803 29.762 0.037 0.000 1.376 123 H HN 0.491 nan 8.280 nan 0.000 0.531 124 T N -1.380 113.263 114.554 0.149 0.000 3.148 124 T HA 0.098 4.448 4.350 -0.000 0.000 0.253 124 T C 0.997 175.784 174.700 0.145 0.000 1.134 124 T CA -0.035 62.144 62.100 0.131 0.000 1.051 124 T CB -0.557 68.363 68.868 0.087 0.000 0.959 124 T HN -0.033 nan 8.240 nan 0.000 0.525 125 V N 2.913 122.906 119.914 0.133 0.000 2.242 125 V HA 0.344 4.464 4.120 -0.000 0.000 0.242 125 V C 0.951 177.126 176.094 0.135 0.000 1.240 125 V CA -0.072 62.315 62.300 0.146 0.000 1.211 125 V CB -0.782 31.119 31.823 0.130 0.000 1.338 125 V HN 0.391 nan 8.190 nan 0.000 0.499 126 R N 1.933 122.526 120.500 0.156 0.000 2.526 126 R HA 0.195 4.535 4.340 -0.000 0.000 0.346 126 R C 1.056 177.399 176.300 0.072 0.000 0.926 126 R CA 0.256 56.414 56.100 0.096 0.000 1.147 126 R CB 0.943 31.325 30.300 0.136 0.000 1.629 126 R HN 0.645 nan 8.270 nan 0.000 0.516 127 G N 1.439 110.307 108.800 0.114 0.000 2.391 127 G HA2 0.189 4.149 3.960 -0.000 0.000 0.234 127 G HA3 0.189 4.149 3.960 -0.000 0.000 0.234 127 G C -0.105 174.632 174.900 -0.272 0.000 1.284 127 G CA 0.090 45.019 45.100 -0.285 0.000 0.873 127 G HN -0.079 nan 8.290 nan 0.000 0.549 128 V N 2.816 122.394 119.914 -0.560 0.000 2.417 128 V HA 0.501 4.621 4.120 -0.000 0.000 0.291 128 V C -0.741 175.022 176.094 -0.551 0.000 1.024 128 V CA -0.498 61.641 62.300 -0.268 0.000 0.861 128 V CB 1.207 32.978 31.823 -0.086 0.000 0.985 128 V HN 0.544 nan 8.190 nan 0.000 0.436 129 F N 5.008 124.937 119.950 -0.036 0.000 2.449 129 F HA 0.620 5.146 4.527 -0.000 0.000 0.342 129 F C 0.057 175.790 175.800 -0.113 0.000 1.127 129 F CA -0.623 57.356 58.000 -0.034 0.000 0.975 129 F CB 1.518 40.572 39.000 0.091 0.000 1.146 129 F HN 0.226 nan 8.300 nan 0.000 0.444 130 I N 4.353 124.939 120.570 0.027 0.000 2.339 130 I HA 0.489 4.659 4.170 -0.000 0.000 0.290 130 I C -0.905 175.120 176.117 -0.154 0.000 0.994 130 I CA -0.773 60.509 61.300 -0.030 0.000 1.191 130 I CB 1.375 39.429 38.000 0.091 0.000 1.343 130 I HN 0.226 nan 8.210 nan 0.000 0.458 131 V N 5.273 124.922 119.914 -0.443 0.000 2.588 131 V HA 0.286 4.406 4.120 -0.000 0.000 0.304 131 V C -0.385 175.248 176.094 -0.768 0.000 1.042 131 V CA -0.794 61.096 62.300 -0.683 0.000 0.877 131 V CB 1.930 32.949 31.823 -1.341 0.000 0.996 131 V HN 0.789 nan 8.190 nan 0.000 0.425 132 D N 4.151 123.975 120.400 -0.961 0.000 2.478 132 D HA 0.411 5.051 4.640 -0.000 0.000 0.269 132 D C 1.019 176.786 176.300 -0.889 0.000 1.232 132 D CA -0.098 52.864 54.000 -1.730 0.000 1.059 132 D CB 1.322 41.011 40.800 -1.853 0.000 1.104 132 D HN 0.511 nan 8.370 nan 0.000 0.566 133 A N -0.744 121.615 122.820 -0.769 0.000 2.235 133 A HA -0.001 4.318 4.320 -0.000 0.000 0.208 133 A C 1.722 179.242 177.584 -0.107 0.000 1.172 133 A CA 0.274 52.197 52.037 -0.189 0.000 0.786 133 A CB -0.541 18.485 19.000 0.042 0.000 0.804 133 A HN 0.490 nan 8.150 nan 0.000 0.479 134 R N -1.150 119.245 120.500 -0.175 0.000 2.334 134 R HA 0.238 4.578 4.340 -0.000 0.000 0.216 134 R C 1.140 177.402 176.300 -0.063 0.000 0.905 134 R CA 0.475 56.522 56.100 -0.088 0.000 1.064 134 R CB 0.098 30.346 30.300 -0.085 0.000 1.046 134 R HN 0.565 nan 8.270 nan 0.000 0.508 135 G N 1.054 109.801 108.800 -0.088 0.000 2.147 135 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 135 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 135 G C 0.053 174.939 174.900 -0.023 0.000 1.005 135 G CA 0.022 45.123 45.100 0.001 0.000 0.713 135 G HN 0.142 nan 8.290 nan 0.000 0.515 136 V N 1.459 121.293 119.914 -0.134 0.000 2.465 136 V HA 0.447 4.566 4.120 -0.000 0.000 0.279 136 V C 1.209 177.224 176.094 -0.131 0.000 1.045 136 V CA -0.750 61.489 62.300 -0.101 0.000 0.938 136 V CB 1.565 33.319 31.823 -0.116 0.000 0.986 136 V HN 0.317 nan 8.190 nan 0.000 0.467 137 I N 6.366 126.927 120.570 -0.014 0.000 2.581 137 I HA 0.129 4.299 4.170 -0.000 0.000 0.285 137 I C 1.303 177.414 176.117 -0.009 0.000 1.129 137 I CA 0.125 61.442 61.300 0.029 0.000 1.397 137 I CB 0.341 38.440 38.000 0.165 0.000 1.399 137 I HN 0.610 nan 8.210 nan 0.000 0.537 138 R N 3.347 123.824 120.500 -0.037 0.000 2.250 138 R HA 0.289 4.629 4.340 -0.000 0.000 0.194 138 R C 0.013 176.338 176.300 0.042 0.000 0.927 138 R CA 0.412 56.506 56.100 -0.009 0.000 1.052 138 R CB 0.459 30.748 30.300 -0.019 0.000 1.055 138 R HN 0.527 nan 8.270 nan 0.000 0.537 139 T N 0.641 115.221 114.554 0.043 0.000 2.942 139 T HA 0.552 4.902 4.350 -0.000 0.000 0.327 139 T C -0.938 173.747 174.700 -0.026 0.000 1.360 139 T CA -0.505 61.614 62.100 0.031 0.000 1.055 139 T CB 2.506 71.405 68.868 0.052 0.000 1.261 139 T HN -0.132 nan 8.240 nan 0.000 0.485 140 M N 2.917 122.470 119.600 -0.078 0.000 2.386 140 M HA 0.595 5.075 4.480 -0.000 0.000 0.293 140 M C -1.655 174.478 176.300 -0.278 0.000 1.120 140 M CA -0.712 54.408 55.300 -0.299 0.000 0.909 140 M CB 2.309 34.741 32.600 -0.279 0.000 1.661 140 M HN 0.305 nan 8.290 nan 0.000 0.452 141 L N 2.451 123.402 121.223 -0.453 0.000 2.386 141 L HA 0.548 4.887 4.340 -0.000 0.000 0.271 141 L C -1.653 174.961 176.870 -0.426 0.000 0.993 141 L CA -0.726 53.991 54.840 -0.206 0.000 0.819 141 L CB 1.928 44.033 42.059 0.078 0.000 1.294 141 L HN 0.644 nan 8.230 nan 0.000 0.414 142 Y N 1.670 121.980 120.300 0.017 0.000 2.787 142 Y HA 0.393 4.943 4.550 -0.000 0.000 0.352 142 Y C -0.766 175.147 175.900 0.021 0.000 1.027 142 Y CA -0.641 57.470 58.100 0.018 0.000 1.219 142 Y CB 0.529 38.967 38.460 -0.036 0.000 1.110 142 Y HN 0.316 nan 8.280 nan 0.000 0.614 143 Y N 4.065 124.402 120.300 0.062 0.000 2.304 143 Y HA 0.327 4.877 4.550 -0.000 0.000 0.328 143 Y C -1.876 174.063 175.900 0.065 0.000 1.123 143 Y CA -2.729 55.402 58.100 0.052 0.000 1.218 143 Y CB 0.623 39.097 38.460 0.024 0.000 1.207 143 Y HN 0.320 nan 8.280 nan 0.000 0.495 144 P HA 0.037 nan 4.420 nan 0.000 0.274 144 P C 0.471 177.849 177.300 0.130 0.000 1.256 144 P CA -0.350 62.828 63.100 0.130 0.000 0.795 144 P CB 0.792 32.538 31.700 0.077 0.000 1.038 145 M N 0.059 119.722 119.600 0.105 0.000 2.358 145 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 145 M C 1.334 177.677 176.300 0.072 0.000 1.064 145 M CA 1.790 57.148 55.300 0.096 0.000 1.093 145 M CB -0.885 31.770 32.600 0.092 0.000 1.401 145 M HN 0.236 nan 8.290 nan 0.000 0.440 146 E N 1.294 121.525 120.200 0.053 0.000 2.476 146 E HA 0.111 4.461 4.350 -0.000 0.000 0.191 146 E C 0.066 176.702 176.600 0.059 0.000 1.064 146 E CA 0.121 56.544 56.400 0.038 0.000 0.866 146 E CB 0.166 29.873 29.700 0.012 0.000 0.952 146 E HN 0.639 nan 8.360 nan 0.000 0.492 147 L N 1.327 122.608 121.223 0.096 0.000 2.446 147 L HA 0.487 4.827 4.340 -0.000 0.000 0.268 147 L C -0.121 176.834 176.870 0.141 0.000 0.975 147 L CA -0.579 54.337 54.840 0.126 0.000 0.848 147 L CB 1.644 43.803 42.059 0.166 0.000 1.225 147 L HN 0.066 nan 8.230 nan 0.000 0.410 148 G N 4.137 112.981 108.800 0.074 0.000 2.491 148 G HA2 0.221 4.181 3.960 -0.000 0.000 0.238 148 G HA3 0.221 4.181 3.960 -0.000 0.000 0.238 148 G C 0.021 174.842 174.900 -0.131 0.000 1.277 148 G CA -0.402 44.697 45.100 -0.003 0.000 0.851 148 G HN 0.693 nan 8.290 nan 0.000 0.573 149 R N -0.379 119.910 120.500 -0.351 0.000 2.679 149 R HA 0.205 4.545 4.340 -0.000 0.000 0.269 149 R C -0.365 175.661 176.300 -0.458 0.000 1.076 149 R CA -0.675 54.961 56.100 -0.775 0.000 1.160 149 R CB 0.668 30.547 30.300 -0.701 0.000 1.054 149 R HN 0.327 nan 8.270 nan 0.000 0.507 150 L N 2.910 123.879 121.223 -0.424 0.000 2.287 150 L HA 0.123 4.462 4.340 -0.000 0.000 0.280 150 L C 0.545 177.267 176.870 -0.247 0.000 1.055 150 L CA 0.149 54.861 54.840 -0.212 0.000 0.863 150 L CB 1.354 43.373 42.059 -0.067 0.000 1.245 150 L HN 0.512 nan 8.230 nan 0.000 0.432 151 V N 3.200 122.924 119.914 -0.317 0.000 2.515 151 V HA -0.154 3.965 4.120 -0.000 0.000 0.250 151 V C 1.614 177.567 176.094 -0.235 0.000 1.058 151 V CA 1.560 63.623 62.300 -0.396 0.000 1.064 151 V CB -0.589 30.822 31.823 -0.686 0.000 0.675 151 V HN 0.737 nan 8.190 nan 0.000 0.461 152 D N -0.018 120.269 120.400 -0.187 0.000 2.218 152 D HA -0.182 4.458 4.640 -0.000 0.000 0.204 152 D C 2.162 178.382 176.300 -0.133 0.000 0.976 152 D CA 1.263 55.161 54.000 -0.169 0.000 0.853 152 D CB 0.056 40.819 40.800 -0.061 0.000 0.939 152 D HN 0.494 nan 8.370 nan 0.000 0.481 153 E N 1.089 121.243 120.200 -0.076 0.000 2.106 153 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 153 E C 2.127 178.713 176.600 -0.023 0.000 0.984 153 E CA 0.595 56.986 56.400 -0.016 0.000 0.806 153 E CB -0.330 29.385 29.700 0.025 0.000 0.750 153 E HN 0.297 nan 8.360 nan 0.000 0.458 154 I N 0.142 120.691 120.570 -0.035 0.000 2.286 154 I HA -0.259 3.910 4.170 -0.000 0.000 0.248 154 I C 2.320 178.427 176.117 -0.016 0.000 1.115 154 I CA 0.814 62.145 61.300 0.052 0.000 1.392 154 I CB -0.276 37.829 38.000 0.176 0.000 1.065 154 I HN 0.148 nan 8.210 nan 0.000 0.418 155 L N 0.259 121.305 121.223 -0.294 0.000 2.046 155 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 155 L C 2.834 179.414 176.870 -0.483 0.000 1.077 155 L CA 1.330 55.712 54.840 -0.763 0.000 0.747 155 L CB -0.503 40.670 42.059 -1.477 0.000 0.896 155 L HN 0.206 nan 8.230 nan 0.000 0.432 156 R N 0.430 120.817 120.500 -0.189 0.000 2.081 156 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 156 R C 2.291 178.662 176.300 0.118 0.000 1.131 156 R CA 1.521 57.727 56.100 0.175 0.000 0.960 156 R CB -0.255 30.169 30.300 0.205 0.000 0.856 156 R HN 0.308 nan 8.270 nan 0.000 0.436 157 I N 0.595 121.198 120.570 0.054 0.000 2.142 157 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 157 I C 2.402 178.535 176.117 0.028 0.000 1.078 157 I CA 1.501 62.837 61.300 0.061 0.000 1.343 157 I CB -0.300 37.743 38.000 0.072 0.000 1.046 157 I HN 0.122 nan 8.210 nan 0.000 0.405 158 V N -0.694 119.214 119.914 -0.010 0.000 2.358 158 V HA -0.231 3.888 4.120 -0.000 0.000 0.246 158 V C 2.525 178.481 176.094 -0.229 0.000 1.047 158 V CA 1.928 64.157 62.300 -0.120 0.000 1.035 158 V CB -0.940 30.829 31.823 -0.091 0.000 0.658 158 V HN 0.290 nan 8.190 nan 0.000 0.452 159 K N 2.196 122.538 120.400 -0.096 0.000 2.009 159 K HA -0.031 4.289 4.320 -0.000 0.000 0.210 159 K C 2.136 178.707 176.600 -0.047 0.000 1.049 159 K CA 2.261 58.537 56.287 -0.018 0.000 0.929 159 K CB -1.192 31.457 32.500 0.248 0.000 0.714 159 K HN 0.523 nan 8.250 nan 0.000 0.440 160 A N 0.628 123.447 122.820 -0.001 0.000 1.902 160 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 160 A C 2.322 179.816 177.584 -0.150 0.000 1.181 160 A CA 1.671 53.629 52.037 -0.131 0.000 0.623 160 A CB -0.700 18.266 19.000 -0.057 0.000 0.818 160 A HN 0.339 nan 8.150 nan 0.000 0.443 161 L N -0.937 120.240 121.223 -0.076 0.000 2.056 161 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 161 L C 2.609 179.472 176.870 -0.012 0.000 1.078 161 L CA 1.692 56.541 54.840 0.015 0.000 0.749 161 L CB -0.385 41.791 42.059 0.195 0.000 0.901 161 L HN 0.345 nan 8.230 nan 0.000 0.433 162 K N -0.170 120.098 120.400 -0.220 0.000 2.057 162 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 162 K C 2.127 178.671 176.600 -0.094 0.000 1.050 162 K CA 1.010 57.171 56.287 -0.210 0.000 0.935 162 K CB -0.098 32.143 32.500 -0.432 0.000 0.715 162 K HN 0.224 nan 8.250 nan 0.000 0.439 163 L N 0.274 121.421 121.223 -0.126 0.000 2.017 163 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 163 L C 2.374 179.173 176.870 -0.119 0.000 1.073 163 L CA 1.799 56.564 54.840 -0.124 0.000 0.745 163 L CB -0.906 41.026 42.059 -0.212 0.000 0.894 163 L HN 0.367 nan 8.230 nan 0.000 0.432 164 G N -0.597 108.117 108.800 -0.144 0.000 2.446 164 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.217 164 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.217 164 G C 1.087 175.970 174.900 -0.028 0.000 1.168 164 G CA 0.981 46.018 45.100 -0.105 0.000 0.771 164 G HN 0.354 nan 8.290 nan 0.000 0.551 165 D N 0.698 121.111 120.400 0.022 0.000 2.104 165 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 165 D C 3.027 179.354 176.300 0.045 0.000 0.994 165 D CA 1.761 55.799 54.000 0.065 0.000 0.830 165 D CB -0.467 40.425 40.800 0.153 0.000 0.959 165 D HN 0.459 nan 8.370 nan 0.000 0.452 166 S N -0.339 115.378 115.700 0.030 0.000 2.406 166 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 166 S C 1.644 176.256 174.600 0.019 0.000 1.020 166 S CA 0.522 58.738 58.200 0.027 0.000 0.965 166 S CB -0.111 63.100 63.200 0.019 0.000 0.798 166 S HN 0.065 nan 8.310 nan 0.000 0.488 167 L N 0.820 122.045 121.223 0.003 0.000 2.585 167 L HA 0.422 4.762 4.340 -0.000 0.000 0.226 167 L C 0.428 177.304 176.870 0.011 0.000 1.113 167 L CA 0.398 55.242 54.840 0.007 0.000 0.876 167 L CB -1.195 40.860 42.059 -0.007 0.000 1.072 167 L HN 0.303 nan 8.230 nan 0.000 0.468 168 K N 0.637 121.040 120.400 0.006 0.000 3.393 168 K HA -0.189 4.131 4.320 -0.000 0.000 0.272 168 K C -0.272 176.320 176.600 -0.013 0.000 1.004 168 K CA 0.337 56.628 56.287 0.006 0.000 0.764 168 K CB -0.916 31.598 32.500 0.023 0.000 1.373 168 K HN 0.104 nan 8.250 nan 0.000 0.458 169 R N -0.308 120.169 120.500 -0.037 0.000 2.771 169 R HA 0.652 4.992 4.340 -0.000 0.000 0.274 169 R C -0.350 175.897 176.300 -0.088 0.000 0.987 169 R CA -0.496 55.566 56.100 -0.063 0.000 0.908 169 R CB 1.874 32.128 30.300 -0.076 0.000 1.213 169 R HN 0.267 nan 8.270 nan 0.000 0.468 170 A N 1.362 124.125 122.820 -0.094 0.000 2.286 170 A HA 0.630 4.950 4.320 -0.000 0.000 0.286 170 A C -0.465 177.020 177.584 -0.165 0.000 1.097 170 A CA -0.473 51.496 52.037 -0.113 0.000 0.821 170 A CB 0.904 19.846 19.000 -0.096 0.000 1.076 170 A HN 0.319 nan 8.150 nan 0.000 0.490 171 V N 3.342 123.149 119.914 -0.178 0.000 2.444 171 V HA 0.415 4.535 4.120 -0.000 0.000 0.294 171 V C -1.977 174.049 176.094 -0.113 0.000 1.022 171 V CA -1.109 61.038 62.300 -0.256 0.000 0.850 171 V CB 1.372 32.996 31.823 -0.332 0.000 0.992 171 V HN 0.949 nan 8.190 nan 0.000 0.426 172 P HA 0.342 nan 4.420 nan 0.000 0.274 172 P C -0.240 177.103 177.300 0.071 0.000 1.246 172 P CA -0.273 62.829 63.100 0.003 0.000 0.795 172 P CB 0.928 32.646 31.700 0.029 0.000 1.006 173 A N 1.429 124.275 122.820 0.043 0.000 2.587 173 A HA 0.001 4.321 4.320 -0.000 0.000 0.235 173 A C 0.829 178.465 177.584 0.088 0.000 1.044 173 A CA 0.768 52.839 52.037 0.057 0.000 0.754 173 A CB -0.930 18.090 19.000 0.033 0.000 0.968 173 A HN 0.751 nan 8.150 nan 0.000 0.509 174 D N -0.925 119.531 120.400 0.094 0.000 3.079 174 D HA -0.184 4.455 4.640 -0.000 0.000 0.214 174 D C -0.179 176.177 176.300 0.092 0.000 1.145 174 D CA 1.564 55.608 54.000 0.073 0.000 0.958 174 D CB -1.847 38.969 40.800 0.026 0.000 1.117 174 D HN 0.808 nan 8.370 nan 0.000 0.416 175 W N 3.079 124.367 121.300 -0.021 0.000 2.231 175 W HA 0.166 4.825 4.660 -0.000 0.000 0.341 175 W C -1.486 175.023 176.519 -0.017 0.000 1.298 175 W CA -0.653 56.678 57.345 -0.024 0.000 1.266 175 W CB 0.537 29.985 29.460 -0.020 0.000 1.172 175 W HN -0.109 nan 8.180 nan 0.000 0.568 176 P HA 0.060 nan 4.420 nan 0.000 0.254 176 P C -0.479 176.461 177.300 -0.601 0.000 1.494 176 P CA 0.423 62.624 63.100 -1.498 0.000 0.961 176 P CB 0.263 30.914 31.700 -1.748 0.000 1.493 177 N N 0.623 119.134 118.700 -0.314 0.000 2.467 177 N HA 0.051 4.791 4.740 -0.000 0.000 0.278 177 N C 0.110 175.563 175.510 -0.096 0.000 1.306 177 N CA -0.158 52.785 53.050 -0.178 0.000 0.905 177 N CB -0.192 38.212 38.487 -0.139 0.000 1.236 177 N HN 0.243 nan 8.380 nan 0.000 0.509 178 N N 1.061 119.717 118.700 -0.072 0.000 2.492 178 N HA -0.015 4.725 4.740 -0.000 0.000 0.260 178 N C 0.448 175.922 175.510 -0.059 0.000 1.215 178 N CA 0.420 53.453 53.050 -0.028 0.000 0.923 178 N CB 1.117 39.613 38.487 0.015 0.000 1.092 178 N HN 0.178 nan 8.380 nan 0.000 0.448 179 E N 2.535 122.709 120.200 -0.044 0.000 2.435 179 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 179 E C 1.175 177.732 176.600 -0.071 0.000 1.029 179 E CA 0.554 56.923 56.400 -0.050 0.000 0.865 179 E CB 0.389 30.071 29.700 -0.031 0.000 0.833 179 E HN 0.658 nan 8.360 nan 0.000 0.510 180 I N 0.299 120.813 120.570 -0.092 0.000 2.685 180 I HA -0.021 4.149 4.170 -0.000 0.000 0.251 180 I C 2.065 178.015 176.117 -0.280 0.000 1.102 180 I CA 0.720 61.932 61.300 -0.147 0.000 1.442 180 I CB 0.180 38.114 38.000 -0.110 0.000 1.194 180 I HN 0.081 nan 8.210 nan 0.000 0.448 181 I N -2.227 118.118 120.570 -0.375 0.000 4.240 181 I HA 0.549 4.719 4.170 -0.000 0.000 0.331 181 I C 1.259 177.135 176.117 -0.403 0.000 1.381 181 I CA 0.065 60.918 61.300 -0.744 0.000 1.136 181 I CB 0.209 37.370 38.000 -1.398 0.000 1.137 181 I HN 0.254 nan 8.210 nan 0.000 0.411 182 G N 3.056 111.742 108.800 -0.191 0.000 2.634 182 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.318 182 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.318 182 G C 0.569 175.422 174.900 -0.078 0.000 1.207 182 G CA 0.962 45.995 45.100 -0.112 0.000 0.987 182 G HN 0.587 nan 8.290 nan 0.000 0.547 183 E N 1.832 122.014 120.200 -0.031 0.000 2.502 183 E HA 0.371 4.721 4.350 -0.000 0.000 0.194 183 E C 1.564 178.428 176.600 0.440 0.000 1.062 183 E CA 0.134 56.576 56.400 0.070 0.000 0.867 183 E CB 0.015 29.728 29.700 0.021 0.000 0.888 183 E HN 0.710 nan 8.360 nan 0.000 0.510 184 G N 0.971 109.951 108.800 0.300 0.000 2.554 184 G HA2 0.291 4.250 3.960 -0.000 0.000 0.238 184 G HA3 0.291 4.250 3.960 -0.000 0.000 0.238 184 G C -0.404 174.698 174.900 0.336 0.000 1.259 184 G CA -0.311 45.040 45.100 0.417 0.000 0.843 184 G HN 0.040 nan 8.290 nan 0.000 0.582 185 L N 0.745 122.152 121.223 0.307 0.000 2.342 185 L HA 0.472 4.812 4.340 -0.000 0.000 0.271 185 L C -0.076 176.877 176.870 0.138 0.000 1.008 185 L CA -0.891 54.004 54.840 0.091 0.000 0.818 185 L CB 2.218 44.262 42.059 -0.025 0.000 1.296 185 L HN 0.342 nan 8.230 nan 0.000 0.427 186 I N 2.006 122.589 120.570 0.022 0.000 2.365 186 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 186 I C -0.092 175.992 176.117 -0.054 0.000 1.004 186 I CA -0.640 60.667 61.300 0.011 0.000 1.311 186 I CB 1.713 39.647 38.000 -0.111 0.000 1.401 186 I HN 0.195 nan 8.210 nan 0.000 0.491 187 V N 8.351 128.202 119.914 -0.106 0.000 2.508 187 V HA 0.122 4.242 4.120 -0.000 0.000 0.281 187 V C -2.020 174.012 176.094 -0.103 0.000 1.041 187 V CA -1.451 60.733 62.300 -0.194 0.000 1.016 187 V CB 0.218 31.745 31.823 -0.493 0.000 0.984 187 V HN 0.602 nan 8.190 nan 0.000 0.478 188 P HA 0.106 nan 4.420 nan 0.000 0.262 188 P C -2.312 175.001 177.300 0.022 0.000 1.182 188 P CA -0.648 62.441 63.100 -0.018 0.000 0.761 188 P CB -0.208 31.491 31.700 -0.003 0.000 0.795 189 P HA 0.137 nan 4.420 nan 0.000 0.269 189 P C -2.492 174.929 177.300 0.201 0.000 1.215 189 P CA -1.190 61.999 63.100 0.147 0.000 0.780 189 P CB -0.735 31.061 31.700 0.161 0.000 0.898 190 P HA 0.074 nan 4.420 nan 0.000 0.269 190 P C 0.706 178.177 177.300 0.285 0.000 1.209 190 P CA 0.261 63.530 63.100 0.283 0.000 0.776 190 P CB 0.046 31.955 31.700 0.349 0.000 0.876 191 T N -3.075 111.573 114.554 0.157 0.000 3.084 191 T HA 0.239 4.589 4.350 -0.000 0.000 0.270 191 T C 0.343 175.075 174.700 0.053 0.000 1.008 191 T CA -0.096 62.076 62.100 0.120 0.000 0.900 191 T CB -0.533 68.386 68.868 0.086 0.000 1.084 191 T HN 0.535 nan 8.240 nan 0.000 0.538 192 T N -1.814 112.749 114.554 0.015 0.000 2.896 192 T HA 0.499 4.849 4.350 -0.000 0.000 0.297 192 T C 0.530 175.155 174.700 -0.126 0.000 1.108 192 T CA -0.781 61.294 62.100 -0.043 0.000 1.004 192 T CB 2.378 71.233 68.868 -0.022 0.000 1.159 192 T HN -0.020 nan 8.240 nan 0.000 0.499 193 E N 0.565 120.670 120.200 -0.158 0.000 2.077 193 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 193 E C 1.145 177.649 176.600 -0.160 0.000 0.989 193 E CA 1.511 57.776 56.400 -0.225 0.000 0.800 193 E CB -0.072 29.527 29.700 -0.168 0.000 0.746 193 E HN 0.648 nan 8.360 nan 0.000 0.452 194 D N 0.464 120.811 120.400 -0.089 0.000 2.117 194 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 194 D C 1.905 178.185 176.300 -0.034 0.000 0.987 194 D CA 0.961 54.929 54.000 -0.053 0.000 0.829 194 D CB -0.243 40.539 40.800 -0.030 0.000 0.961 194 D HN 0.170 nan 8.370 nan 0.000 0.460 195 Q N 0.108 119.895 119.800 -0.022 0.000 2.084 195 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 195 Q C 2.012 178.036 176.000 0.040 0.000 0.978 195 Q CA 1.476 57.292 55.803 0.022 0.000 0.844 195 Q CB -0.031 28.734 28.738 0.045 0.000 0.898 195 Q HN 0.209 nan 8.270 nan 0.000 0.426 196 A N 1.942 124.744 122.820 -0.029 0.000 1.877 196 A HA -0.255 4.064 4.320 -0.000 0.000 0.216 196 A C 2.075 179.660 177.584 0.002 0.000 1.186 196 A CA 1.814 53.836 52.037 -0.025 0.000 0.620 196 A CB -0.684 18.017 19.000 -0.498 0.000 0.822 196 A HN 0.587 nan 8.150 nan 0.000 0.443 197 R N -0.376 120.083 120.500 -0.068 0.000 2.096 197 R HA 0.050 4.390 4.340 -0.000 0.000 0.235 197 R C 2.221 178.533 176.300 0.020 0.000 1.127 197 R CA 1.403 57.489 56.100 -0.023 0.000 0.968 197 R CB -0.751 29.521 30.300 -0.047 0.000 0.861 197 R HN 0.336 nan 8.270 nan 0.000 0.440 198 A N 1.823 124.657 122.820 0.023 0.000 1.933 198 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 198 A C 2.327 179.950 177.584 0.065 0.000 1.175 198 A CA 1.432 53.490 52.037 0.036 0.000 0.628 198 A CB -0.551 18.469 19.000 0.033 0.000 0.814 198 A HN 0.399 nan 8.150 nan 0.000 0.444 199 R N -1.230 119.334 120.500 0.107 0.000 2.073 199 R HA -0.129 4.210 4.340 -0.000 0.000 0.234 199 R C 2.094 178.483 176.300 0.148 0.000 1.134 199 R CA 1.946 58.146 56.100 0.167 0.000 0.952 199 R CB -0.261 30.183 30.300 0.240 0.000 0.850 199 R HN 0.400 nan 8.270 nan 0.000 0.433 200 M N 0.406 120.089 119.600 0.138 0.000 2.175 200 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 200 M C 1.789 178.126 176.300 0.062 0.000 1.063 200 M CA 1.620 56.990 55.300 0.115 0.000 1.119 200 M CB -0.733 31.946 32.600 0.132 0.000 1.377 200 M HN 0.213 nan 8.290 nan 0.000 0.415 201 E N 0.267 120.494 120.200 0.045 0.000 2.268 201 E HA -0.117 4.232 4.350 -0.000 0.000 0.195 201 E C 2.021 178.623 176.600 0.004 0.000 0.995 201 E CA 1.369 57.781 56.400 0.020 0.000 0.836 201 E CB -0.036 29.673 29.700 0.014 0.000 0.763 201 E HN 0.562 nan 8.360 nan 0.000 0.491 202 S N -0.249 115.453 115.700 0.003 0.000 2.402 202 S HA -0.047 4.423 4.470 -0.000 0.000 0.229 202 S C 1.863 176.427 174.600 -0.061 0.000 1.021 202 S CA 0.675 58.855 58.200 -0.034 0.000 0.974 202 S CB -0.336 62.835 63.200 -0.049 0.000 0.800 202 S HN 0.348 nan 8.310 nan 0.000 0.484 203 G N 1.336 110.109 108.800 -0.044 0.000 2.225 203 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.267 203 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.267 203 G C 0.518 175.341 174.900 -0.129 0.000 1.024 203 G CA 0.709 45.773 45.100 -0.061 0.000 0.784 203 G HN 0.677 nan 8.290 nan 0.000 0.507 204 Q N -1.500 118.167 119.800 -0.222 0.000 2.245 204 Q HA 0.140 4.480 4.340 -0.000 0.000 0.201 204 Q C 0.335 176.000 176.000 -0.558 0.000 0.955 204 Q CA 0.670 56.199 55.803 -0.457 0.000 0.870 204 Q CB 0.130 28.448 28.738 -0.699 0.000 0.945 204 Q HN 0.697 nan 8.270 nan 0.000 0.461 205 Y N -0.418 119.829 120.300 -0.089 0.000 2.536 205 Y HA 0.437 4.987 4.550 -0.000 0.000 0.347 205 Y C -0.296 175.459 175.900 -0.242 0.000 1.000 205 Y CA -1.393 56.612 58.100 -0.158 0.000 1.051 205 Y CB 1.206 39.607 38.460 -0.098 0.000 1.259 205 Y HN -0.183 nan 8.280 nan 0.000 0.468 206 R N 1.039 121.370 120.500 -0.281 0.000 2.623 206 R HA 0.331 4.670 4.340 -0.000 0.000 0.271 206 R C -0.558 175.560 176.300 -0.304 0.000 1.043 206 R CA 0.253 56.053 56.100 -0.499 0.000 1.083 206 R CB 0.542 30.104 30.300 -1.229 0.000 0.974 206 R HN 0.567 nan 8.270 nan 0.000 0.436 207 S N 2.284 117.908 115.700 -0.126 0.000 2.572 207 S HA 0.287 4.757 4.470 -0.000 0.000 0.274 207 S C -0.266 174.280 174.600 -0.091 0.000 1.150 207 S CA -0.698 57.480 58.200 -0.036 0.000 0.944 207 S CB 1.082 64.278 63.200 -0.007 0.000 1.071 207 S HN 0.404 nan 8.310 nan 0.000 0.479 208 L N 2.930 124.017 121.223 -0.227 0.000 2.408 208 L HA 0.577 4.917 4.340 -0.000 0.000 0.215 208 L C 0.606 177.264 176.870 -0.353 0.000 1.081 208 L CA 1.204 55.827 54.840 -0.361 0.000 0.840 208 L CB -0.319 41.319 42.059 -0.702 0.000 1.002 208 L HN 0.737 nan 8.230 nan 0.000 0.468 209 D N -3.175 116.966 120.400 -0.431 0.000 2.725 209 D HA 0.038 4.678 4.640 -0.000 0.000 0.292 209 D C 0.473 176.548 176.300 -0.376 0.000 1.288 209 D CA -0.419 53.313 54.000 -0.447 0.000 0.784 209 D CB 0.251 40.573 40.800 -0.796 0.000 1.308 209 D HN -0.014 nan 8.370 nan 0.000 0.429 210 W N 1.084 122.353 121.300 -0.052 0.000 2.392 210 W HA -0.046 4.614 4.660 -0.000 0.000 0.279 210 W C 1.180 177.775 176.519 0.126 0.000 1.225 210 W CA 0.643 58.032 57.345 0.072 0.000 1.233 210 W CB -0.897 28.647 29.460 0.140 0.000 1.122 210 W HN 0.523 nan 8.180 nan 0.000 0.561 211 W N -1.503 119.402 121.300 -0.659 0.000 3.278 211 W HA 0.340 5.000 4.660 -0.000 0.000 0.308 211 W C -0.347 176.073 176.519 -0.165 0.000 1.253 211 W CA -0.813 56.208 57.345 -0.540 0.000 1.759 211 W CB -1.520 27.314 29.460 -1.043 0.000 1.093 211 W HN -0.139 nan 8.180 nan 0.000 0.648 212 F N 2.331 121.880 119.950 -0.668 0.000 2.660 212 F HA 0.450 4.977 4.527 -0.000 0.000 0.352 212 F C -0.830 174.847 175.800 -0.204 0.000 1.257 212 F CA -0.408 57.294 58.000 -0.497 0.000 1.200 212 F CB 0.154 38.587 39.000 -0.945 0.000 1.473 212 F HN -0.329 nan 8.300 nan 0.000 0.561 213 C N 4.097 123.536 119.300 0.231 0.000 2.529 213 C HA 0.650 5.110 4.460 -0.000 0.000 0.329 213 C C -0.740 174.403 174.990 0.255 0.000 1.194 213 C CA -0.494 58.628 59.018 0.174 0.000 1.779 213 C CB 1.246 28.973 27.740 -0.023 0.000 2.322 213 C HN 0.886 nan 8.230 nan 0.000 0.500 214 W N 1.750 123.063 121.300 0.022 0.000 2.988 214 W HA 0.694 5.354 4.660 -0.000 0.000 0.355 214 W C -1.710 174.866 176.519 0.095 0.000 1.233 214 W CA -0.768 56.595 57.345 0.029 0.000 1.176 214 W CB 0.769 30.307 29.460 0.131 0.000 1.477 214 W HN 0.720 nan 8.180 nan 0.000 0.582 215 D N -0.824 119.748 120.400 0.287 0.000 2.838 215 D HA 0.392 5.032 4.640 -0.000 0.000 0.334 215 D C -0.791 175.687 176.300 0.296 0.000 1.315 215 D CA -0.393 53.670 54.000 0.105 0.000 0.917 215 D CB 1.153 42.047 40.800 0.155 0.000 1.435 215 D HN 0.312 nan 8.370 nan 0.000 0.517 216 T N -2.362 112.307 114.554 0.191 0.000 3.427 216 T HA 0.450 4.800 4.350 -0.000 0.000 0.306 216 T C -1.922 172.874 174.700 0.159 0.000 1.733 216 T CA -0.905 61.334 62.100 0.232 0.000 1.599 216 T CB 0.664 69.669 68.868 0.228 0.000 0.964 216 T HN 0.287 nan 8.240 nan 0.000 0.701 217 P HA 0.313 nan 4.420 nan 0.000 0.245 217 P C 0.620 177.980 177.300 0.099 0.000 1.203 217 P CA -0.107 63.054 63.100 0.103 0.000 0.792 217 P CB 0.024 31.777 31.700 0.090 0.000 0.997 218 A N 1.237 124.139 122.820 0.137 0.000 2.462 218 A HA 0.390 4.710 4.320 -0.000 0.000 0.243 218 A C 0.860 178.519 177.584 0.125 0.000 1.076 218 A CA -0.083 52.044 52.037 0.151 0.000 0.773 218 A CB -0.123 19.051 19.000 0.289 0.000 1.010 218 A HN 0.334 nan 8.150 nan 0.000 0.493 219 S N 1.827 117.583 115.700 0.093 0.000 2.593 219 S HA 0.166 4.636 4.470 -0.000 0.000 0.269 219 S C 1.197 175.833 174.600 0.059 0.000 1.334 219 S CA 0.209 58.447 58.200 0.064 0.000 1.015 219 S CB 0.650 63.875 63.200 0.042 0.000 0.912 219 S HN 0.827 nan 8.310 nan 0.000 0.541 220 R N 0.588 121.107 120.500 0.031 0.000 2.105 220 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 220 R C 1.092 177.384 176.300 -0.014 0.000 1.135 220 R CA 2.096 58.199 56.100 0.005 0.000 0.967 220 R CB -0.561 29.736 30.300 -0.005 0.000 0.861 220 R HN 0.774 nan 8.270 nan 0.000 0.442 221 D N 0.506 120.902 120.400 -0.007 0.000 2.097 221 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 221 D C 1.437 177.722 176.300 -0.024 0.000 0.989 221 D CA 1.303 55.289 54.000 -0.023 0.000 0.827 221 D CB -0.339 40.454 40.800 -0.011 0.000 0.966 221 D HN 0.276 nan 8.370 nan 0.000 0.456 222 D N 0.078 120.494 120.400 0.026 0.000 2.097 222 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 222 D C 2.344 178.698 176.300 0.090 0.000 0.989 222 D CA 0.527 54.577 54.000 0.082 0.000 0.827 222 D CB -0.281 40.614 40.800 0.158 0.000 0.966 222 D HN 0.067 nan 8.370 nan 0.000 0.456 223 V N 1.366 121.313 119.914 0.056 0.000 2.295 223 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 223 V C 2.295 178.237 176.094 -0.253 0.000 1.049 223 V CA 1.645 63.858 62.300 -0.145 0.000 1.024 223 V CB -0.440 31.314 31.823 -0.116 0.000 0.648 223 V HN 0.190 nan 8.190 nan 0.000 0.447 224 E N -0.321 119.776 120.200 -0.172 0.000 2.152 224 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 224 E C 2.236 178.679 176.600 -0.261 0.000 0.983 224 E CA 1.003 57.286 56.400 -0.195 0.000 0.818 224 E CB -0.069 29.552 29.700 -0.132 0.000 0.758 224 E HN 0.684 nan 8.360 nan 0.000 0.467 225 E N 0.822 120.860 120.200 -0.271 0.000 2.051 225 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 225 E C 2.102 178.201 176.600 -0.835 0.000 0.991 225 E CA 1.061 57.195 56.400 -0.444 0.000 0.799 225 E CB -0.113 29.404 29.700 -0.304 0.000 0.748 225 E HN 0.202 nan 8.360 nan 0.000 0.449 226 A N 1.356 123.848 122.820 -0.548 0.000 1.902 226 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 226 A C 2.105 179.447 177.584 -0.403 0.000 1.181 226 A CA 1.598 53.364 52.037 -0.451 0.000 0.623 226 A CB -0.461 18.494 19.000 -0.077 0.000 0.818 226 A HN 0.079 nan 8.150 nan 0.000 0.443 227 R N -0.479 119.792 120.500 -0.381 0.000 2.115 227 R HA -0.113 4.226 4.340 -0.000 0.000 0.230 227 R C 2.389 178.558 176.300 -0.218 0.000 1.111 227 R CA 1.404 57.339 56.100 -0.276 0.000 0.976 227 R CB -0.255 29.887 30.300 -0.265 0.000 0.870 227 R HN 0.581 nan 8.270 nan 0.000 0.445 228 R N -0.355 119.971 120.500 -0.290 0.000 2.096 228 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 228 R C 1.687 177.929 176.300 -0.097 0.000 1.127 228 R CA 1.803 57.780 56.100 -0.205 0.000 0.968 228 R CB -0.415 29.741 30.300 -0.239 0.000 0.861 228 R HN 0.388 nan 8.270 nan 0.000 0.440 229 Y N 0.707 120.956 120.300 -0.086 0.000 2.128 229 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 229 Y C 2.367 178.223 175.900 -0.073 0.000 1.154 229 Y CA 0.927 58.974 58.100 -0.088 0.000 1.149 229 Y CB -0.227 38.176 38.460 -0.096 0.000 0.976 229 Y HN 0.055 nan 8.280 nan 0.000 0.505 230 L N -0.163 121.106 121.223 0.076 0.000 2.093 230 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 230 L C 2.638 179.505 176.870 -0.005 0.000 1.085 230 L CA 1.268 56.121 54.840 0.022 0.000 0.755 230 L CB -0.510 41.543 42.059 -0.010 0.000 0.904 230 L HN 0.180 nan 8.230 nan 0.000 0.435 231 R N 0.691 121.175 120.500 -0.027 0.000 2.081 231 R HA -0.215 4.124 4.340 -0.000 0.000 0.235 231 R C 2.490 178.782 176.300 -0.013 0.000 1.131 231 R CA 1.629 57.710 56.100 -0.031 0.000 0.960 231 R CB -0.218 30.052 30.300 -0.050 0.000 0.856 231 R HN 0.177 nan 8.270 nan 0.000 0.436 232 R N 0.002 120.502 120.500 0.000 0.000 2.091 232 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 232 R C 2.114 178.416 176.300 0.003 0.000 1.136 232 R CA 1.659 57.763 56.100 0.008 0.000 0.959 232 R CB -0.409 29.907 30.300 0.025 0.000 0.856 232 R HN 0.351 nan 8.270 nan 0.000 0.437 233 A N 0.561 123.384 122.820 0.005 0.000 1.940 233 A HA -0.109 4.210 4.320 -0.000 0.000 0.219 233 A C 2.276 179.858 177.584 -0.003 0.000 1.176 233 A CA 1.743 53.777 52.037 -0.005 0.000 0.631 233 A CB -0.667 18.331 19.000 -0.003 0.000 0.814 233 A HN 0.557 nan 8.150 nan 0.000 0.446 234 A N -0.808 122.010 122.820 -0.003 0.000 2.119 234 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 234 A C 1.088 178.671 177.584 -0.003 0.000 1.152 234 A CA 0.643 52.677 52.037 -0.004 0.000 0.708 234 A CB -0.208 18.786 19.000 -0.009 0.000 0.805 234 A HN 0.610 nan 8.150 nan 0.000 0.460 235 E N 0.920 121.118 120.200 -0.003 0.000 2.259 235 E HA 0.239 4.589 4.350 -0.000 0.000 0.281 235 E C -0.235 176.368 176.600 0.004 0.000 1.027 235 E CA -0.575 55.825 56.400 -0.001 0.000 0.838 235 E CB 0.486 30.184 29.700 -0.003 0.000 1.066 235 E HN 0.306 nan 8.360 nan 0.000 0.401 236 K N 5.485 125.889 120.400 0.006 0.000 2.368 236 K HA 0.198 4.518 4.320 -0.000 0.000 0.282 236 K C -2.224 174.385 176.600 0.014 0.000 1.035 236 K CA -1.388 54.907 56.287 0.012 0.000 0.973 236 K CB 0.459 32.967 32.500 0.014 0.000 0.957 236 K HN 0.280 nan 8.250 nan 0.000 0.474 237 P HA -0.040 nan 4.420 nan 0.000 0.265 237 P C -0.298 177.013 177.300 0.018 0.000 1.193 237 P CA 0.004 63.116 63.100 0.021 0.000 0.765 237 P CB 1.074 32.794 31.700 0.033 0.000 0.823 238 A N 3.476 126.303 122.820 0.011 0.000 1.930 238 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 238 A C 0.964 178.550 177.584 0.003 0.000 1.175 238 A CA 1.465 53.506 52.037 0.006 0.000 0.627 238 A CB -0.378 18.623 19.000 0.002 0.000 0.815 238 A HN 0.566 nan 8.150 nan 0.000 0.443 239 K N -0.957 119.445 120.400 0.003 0.000 2.502 239 K HA 0.625 4.945 4.320 -0.000 0.000 0.257 239 K C -1.589 175.012 176.600 0.002 0.000 0.938 239 K CA -0.680 55.600 56.287 -0.010 0.000 0.819 239 K CB 1.284 33.769 32.500 -0.025 0.000 1.333 239 K HN 0.214 nan 8.250 nan 0.000 0.434 240 L N 4.951 126.170 121.223 -0.008 0.000 2.343 240 L HA 0.335 4.675 4.340 -0.000 0.000 0.275 240 L C 1.257 178.127 176.870 0.001 0.000 1.056 240 L CA -0.655 54.211 54.840 0.043 0.000 0.804 240 L CB 1.135 43.288 42.059 0.155 0.000 1.203 240 L HN 0.702 nan 8.230 nan 0.000 0.440 241 L N 1.291 122.556 121.223 0.070 0.000 2.275 241 L HA -0.214 4.125 4.340 -0.000 0.000 0.215 241 L C 2.205 179.118 176.870 0.072 0.000 1.119 241 L CA 1.119 55.993 54.840 0.056 0.000 0.790 241 L CB -0.418 41.689 42.059 0.081 0.000 0.919 241 L HN 0.737 nan 8.230 nan 0.000 0.443 242 Y N 0.192 120.518 120.300 0.044 0.000 2.293 242 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 242 Y C 2.079 178.001 175.900 0.036 0.000 1.137 242 Y CA 0.973 59.103 58.100 0.051 0.000 1.202 242 Y CB -0.472 38.025 38.460 0.062 0.000 0.990 242 Y HN 0.136 nan 8.280 nan 0.000 0.537 243 E N 1.055 120.794 120.200 -0.767 0.000 2.008 243 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 243 E C 0.862 177.314 176.600 -0.247 0.000 0.986 243 E CA 0.919 56.950 56.400 -0.615 0.000 0.807 243 E CB -0.171 29.202 29.700 -0.544 0.000 0.766 243 E HN 0.578 nan 8.360 nan 0.000 0.450 244 E N 0.000 120.101 120.200 -0.164 0.000 2.725 244 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 244 E CA 0.000 56.346 56.400 -0.089 0.000 0.976 244 E CB 0.000 29.667 29.700 -0.055 0.000 0.812 244 E HN 0.000 nan 8.360 nan 0.000 0.440