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 2hhk_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.611 177.584 0.045 0.000 1.274 1 A CA 0.000 52.055 52.037 0.031 0.000 0.836 1 A CB 0.000 19.019 19.000 0.032 0.000 0.831 2 E N 1.013 121.235 120.200 0.038 0.000 2.653 2 E HA 0.085 4.435 4.350 -0.000 0.000 0.264 2 E C -0.199 176.456 176.600 0.092 0.000 0.949 2 E CA 0.386 56.820 56.400 0.056 0.000 0.953 2 E CB 0.086 29.798 29.700 0.020 0.000 0.925 2 E HN 0.673 nan 8.360 nan 0.000 0.475 3 Y N 2.647 122.940 120.300 -0.013 0.000 2.810 3 Y HA -0.128 4.422 4.550 -0.000 0.000 0.332 3 Y C 0.684 176.570 175.900 -0.024 0.000 1.243 3 Y CA 0.419 58.514 58.100 -0.009 0.000 1.537 3 Y CB 0.530 38.985 38.460 -0.009 0.000 1.265 3 Y HN 0.496 nan 8.280 nan 0.000 0.572 4 Q N 3.788 123.279 119.800 -0.516 0.000 2.319 4 Q HA -0.010 4.330 4.340 -0.000 0.000 0.209 4 Q C 0.505 176.082 176.000 -0.706 0.000 0.884 4 Q CA 0.538 56.050 55.803 -0.485 0.000 0.938 4 Q CB -0.119 28.458 28.738 -0.268 0.000 1.098 4 Q HN 0.876 nan 8.270 nan 0.000 0.517 5 N N 0.094 117.967 118.700 -1.379 0.000 2.747 5 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 5 N C 0.264 175.527 175.510 -0.412 0.000 1.107 5 N CA 0.334 52.877 53.050 -0.845 0.000 0.707 5 N CB -0.850 37.363 38.487 -0.458 0.000 1.054 5 N HN 0.156 nan 8.380 nan 0.000 0.555 6 I N -1.363 118.964 120.570 -0.405 0.000 2.494 6 I HA 0.119 4.288 4.170 -0.000 0.000 0.250 6 I C 0.744 176.572 176.117 -0.483 0.000 1.112 6 I CA 1.052 62.084 61.300 -0.448 0.000 1.438 6 I CB -0.634 37.047 38.000 -0.532 0.000 1.111 6 I HN 0.020 nan 8.210 nan 0.000 0.431 7 F N 0.184 120.215 119.950 0.136 0.000 2.561 7 F HA 0.441 4.968 4.527 -0.000 0.000 0.321 7 F C 0.854 176.868 175.800 0.357 0.000 1.065 7 F CA -1.046 57.117 58.000 0.272 0.000 0.934 7 F CB 1.045 40.194 39.000 0.249 0.000 1.215 7 F HN -0.341 nan 8.300 nan 0.000 0.471 8 S N 1.189 117.253 115.700 0.607 0.000 2.565 8 S HA 0.133 4.603 4.470 -0.000 0.000 0.276 8 S C 0.871 175.765 174.600 0.490 0.000 1.326 8 S CA -0.606 57.888 58.200 0.491 0.000 1.045 8 S CB 1.182 64.588 63.200 0.343 0.000 0.918 8 S HN 0.657 nan 8.310 nan 0.000 0.505 9 Q N 0.612 120.550 119.800 0.231 0.000 2.163 9 Q HA 0.064 4.404 4.340 -0.000 0.000 0.198 9 Q C -0.147 175.985 176.000 0.220 0.000 0.954 9 Q CA 0.846 56.718 55.803 0.115 0.000 0.851 9 Q CB 0.098 28.723 28.738 -0.189 0.000 0.928 9 Q HN 0.490 nan 8.270 nan 0.000 0.459 10 V N 1.210 121.216 119.914 0.154 0.000 2.638 10 V HA 0.260 4.380 4.120 -0.000 0.000 0.306 10 V C -0.708 175.406 176.094 0.034 0.000 1.052 10 V CA -0.884 61.480 62.300 0.105 0.000 0.885 10 V CB 1.855 33.695 31.823 0.029 0.000 0.999 10 V HN 0.095 nan 8.190 nan 0.000 0.424 11 Q N 2.282 122.040 119.800 -0.070 0.000 2.241 11 Q HA 0.716 5.056 4.340 -0.000 0.000 0.254 11 Q C -0.590 175.349 176.000 -0.101 0.000 0.917 11 Q CA -0.639 55.073 55.803 -0.152 0.000 0.919 11 Q CB 2.502 31.027 28.738 -0.355 0.000 1.237 11 Q HN 0.816 nan 8.270 nan 0.000 0.434 12 V N -0.220 119.648 119.914 -0.077 0.000 2.715 12 V HA 0.768 4.888 4.120 -0.000 0.000 0.310 12 V C -0.695 175.353 176.094 -0.078 0.000 1.054 12 V CA -1.041 61.218 62.300 -0.069 0.000 0.928 12 V CB 1.959 33.755 31.823 -0.044 0.000 1.007 12 V HN 0.809 nan 8.190 nan 0.000 0.437 13 R N 1.519 121.958 120.500 -0.102 0.000 2.744 13 R HA 0.819 5.158 4.340 -0.000 0.000 0.279 13 R C -0.193 176.030 176.300 -0.128 0.000 0.977 13 R CA 0.083 56.100 56.100 -0.137 0.000 0.906 13 R CB 2.254 32.399 30.300 -0.258 0.000 1.197 13 R HN 1.194 nan 8.270 nan 0.000 0.463 14 G N 2.059 110.794 108.800 -0.108 0.000 3.105 14 G HA2 0.543 4.503 3.960 -0.000 0.000 0.277 14 G HA3 0.543 4.503 3.960 -0.000 0.000 0.277 14 G C -2.585 172.267 174.900 -0.081 0.000 1.375 14 G CA -1.213 43.839 45.100 -0.080 0.000 0.962 14 G HN 0.472 nan 8.290 nan 0.000 0.541 15 P HA 0.361 nan 4.420 nan 0.000 0.265 15 P C 0.176 177.520 177.300 0.073 0.000 1.187 15 P CA 0.014 63.113 63.100 -0.003 0.000 0.766 15 P CB 0.497 32.198 31.700 0.002 0.000 0.820 16 A N 2.356 125.263 122.820 0.144 0.000 2.565 16 A HA 0.038 4.358 4.320 -0.000 0.000 0.237 16 A C 0.441 178.100 177.584 0.124 0.000 1.053 16 A CA 0.132 52.324 52.037 0.258 0.000 0.755 16 A CB -0.329 18.820 19.000 0.248 0.000 0.980 16 A HN 0.532 nan 8.150 nan 0.000 0.506 17 D N 2.508 122.971 120.400 0.106 0.000 2.339 17 D HA 0.281 4.920 4.640 -0.000 0.000 0.241 17 D C 0.740 177.053 176.300 0.022 0.000 1.183 17 D CA -0.103 53.927 54.000 0.049 0.000 0.859 17 D CB 0.457 41.280 40.800 0.038 0.000 1.067 17 D HN 0.430 nan 8.370 nan 0.000 0.484 18 L N 2.946 124.180 121.223 0.018 0.000 2.558 18 L HA 0.272 4.612 4.340 -0.000 0.000 0.225 18 L C 1.384 178.255 176.870 0.001 0.000 1.128 18 L CA 0.300 55.146 54.840 0.009 0.000 0.868 18 L CB -0.698 41.368 42.059 0.011 0.000 1.006 18 L HN 0.647 nan 8.230 nan 0.000 0.454 19 G N 0.009 108.807 108.800 -0.002 0.000 2.661 19 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.685 19 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.685 19 G C -0.520 174.372 174.900 -0.014 0.000 1.298 19 G CA -0.940 44.153 45.100 -0.011 0.000 0.855 19 G HN -0.161 nan 8.290 nan 0.000 0.560 20 M N 0.204 119.790 119.600 -0.024 0.000 2.255 20 M HA 0.388 4.868 4.480 -0.000 0.000 0.336 20 M C 1.625 177.909 176.300 -0.027 0.000 1.135 20 M CA 0.285 55.569 55.300 -0.027 0.000 1.145 20 M CB 0.450 33.028 32.600 -0.037 0.000 1.473 20 M HN 0.686 nan 8.290 nan 0.000 0.462 21 T N -0.464 114.076 114.554 -0.023 0.000 2.988 21 T HA 0.030 4.380 4.350 -0.000 0.000 0.240 21 T C 0.748 175.429 174.700 -0.031 0.000 1.014 21 T CA 0.082 62.171 62.100 -0.019 0.000 1.155 21 T CB 0.235 69.096 68.868 -0.011 0.000 0.872 21 T HN 0.582 nan 8.240 nan 0.000 0.440 22 E N 1.387 121.567 120.200 -0.034 0.000 3.484 22 E HA -0.239 4.111 4.350 -0.000 0.000 0.416 22 E C 0.179 176.757 176.600 -0.036 0.000 1.593 22 E CA 1.741 58.117 56.400 -0.039 0.000 1.570 22 E CB -1.164 28.503 29.700 -0.056 0.000 1.551 22 E HN 0.378 nan 8.360 nan 0.000 0.437 23 D N 0.915 121.286 120.400 -0.048 0.000 2.388 23 D HA 0.184 4.823 4.640 -0.000 0.000 0.221 23 D C -0.204 176.071 176.300 -0.042 0.000 1.133 23 D CA 0.044 54.020 54.000 -0.040 0.000 0.831 23 D CB 0.300 41.074 40.800 -0.043 0.000 0.962 23 D HN -0.070 nan 8.370 nan 0.000 0.502 24 V N 1.938 121.824 119.914 -0.047 0.000 2.637 24 V HA -0.037 4.083 4.120 -0.000 0.000 0.296 24 V C 0.895 177.020 176.094 0.052 0.000 1.046 24 V CA -0.499 61.779 62.300 -0.036 0.000 1.066 24 V CB 0.993 32.788 31.823 -0.047 0.000 0.968 24 V HN 0.090 nan 8.190 nan 0.000 0.483 25 N N 4.514 123.296 118.700 0.137 0.000 2.421 25 N HA 0.121 4.861 4.740 -0.000 0.000 0.260 25 N C 0.829 176.433 175.510 0.156 0.000 1.173 25 N CA 0.151 53.288 53.050 0.144 0.000 0.960 25 N CB 0.356 38.938 38.487 0.159 0.000 1.273 25 N HN 0.663 nan 8.380 nan 0.000 0.497 26 L N 2.173 123.442 121.223 0.077 0.000 2.349 26 L HA -0.163 4.176 4.340 -0.000 0.000 0.220 26 L C 2.109 178.975 176.870 -0.006 0.000 1.130 26 L CA 0.967 55.834 54.840 0.045 0.000 0.791 26 L CB -0.411 41.662 42.059 0.023 0.000 0.918 26 L HN 0.547 nan 8.230 nan 0.000 0.444 27 A N 0.531 123.337 122.820 -0.023 0.000 1.972 27 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 27 A C 1.828 179.336 177.584 -0.127 0.000 1.169 27 A CA 1.814 53.816 52.037 -0.059 0.000 0.635 27 A CB -0.644 18.328 19.000 -0.048 0.000 0.810 27 A HN 0.558 nan 8.150 nan 0.000 0.446 28 N N -0.937 117.632 118.700 -0.218 0.000 2.398 28 N HA 0.058 4.798 4.740 -0.000 0.000 0.188 28 N C 0.047 175.260 175.510 -0.495 0.000 1.122 28 N CA -0.130 52.638 53.050 -0.471 0.000 0.866 28 N CB 0.202 38.151 38.487 -0.898 0.000 0.970 28 N HN 0.336 nan 8.380 nan 0.000 0.462 29 R N 1.276 121.646 120.500 -0.216 0.000 2.265 29 R HA 0.192 4.532 4.340 -0.000 0.000 0.319 29 R C 0.404 176.656 176.300 -0.080 0.000 1.006 29 R CA -0.351 55.691 56.100 -0.098 0.000 0.880 29 R CB 1.263 31.572 30.300 0.016 0.000 1.077 29 R HN 0.142 nan 8.270 nan 0.000 0.454 30 S N 1.578 117.236 115.700 -0.071 0.000 2.589 30 S HA 0.074 4.544 4.470 -0.000 0.000 0.256 30 S C 0.789 175.369 174.600 -0.032 0.000 1.383 30 S CA -0.374 57.796 58.200 -0.051 0.000 0.983 30 S CB 0.574 63.749 63.200 -0.041 0.000 0.908 30 S HN 0.663 nan 8.310 nan 0.000 0.572 31 G N -0.585 108.199 108.800 -0.027 0.000 2.616 31 G HA2 0.469 4.429 3.960 -0.000 0.000 0.268 31 G HA3 0.469 4.429 3.960 -0.000 0.000 0.268 31 G C 0.234 175.121 174.900 -0.021 0.000 1.213 31 G CA -0.471 44.620 45.100 -0.016 0.000 0.926 31 G HN 1.576 nan 8.290 nan 0.000 0.523 32 V N -0.593 119.312 119.914 -0.016 0.000 2.963 32 V HA 0.601 4.720 4.120 -0.000 0.000 0.306 32 V C 1.100 177.163 176.094 -0.052 0.000 1.077 32 V CA -0.066 62.208 62.300 -0.044 0.000 1.124 32 V CB 0.345 32.152 31.823 -0.027 0.000 0.987 32 V HN 0.942 nan 8.190 nan 0.000 0.487 33 G N 3.023 111.762 108.800 -0.102 0.000 2.509 33 G HA2 0.623 4.583 3.960 -0.000 0.000 0.269 33 G HA3 0.623 4.583 3.960 -0.000 0.000 0.269 33 G C -2.323 172.517 174.900 -0.100 0.000 1.416 33 G CA -0.955 44.094 45.100 -0.086 0.000 1.052 33 G HN 0.821 nan 8.290 nan 0.000 0.542 34 P HA 0.359 nan 4.420 nan 0.000 0.275 34 P C -1.235 175.999 177.300 -0.109 0.000 1.266 34 P CA -0.376 62.730 63.100 0.011 0.000 0.793 34 P CB 0.700 32.420 31.700 0.032 0.000 1.074 35 F N -0.682 119.256 119.950 -0.019 0.000 2.443 35 F HA 0.351 4.877 4.527 -0.000 0.000 0.335 35 F C 1.065 176.847 175.800 -0.031 0.000 1.104 35 F CA -0.213 57.770 58.000 -0.029 0.000 1.013 35 F CB 1.566 40.542 39.000 -0.040 0.000 1.136 35 F HN 0.084 nan 8.300 nan 0.000 0.470 36 S N 1.939 117.697 115.700 0.097 0.000 2.520 36 S HA 0.209 4.679 4.470 -0.000 0.000 0.324 36 S C 0.835 175.446 174.600 0.019 0.000 1.069 36 S CA -0.512 57.720 58.200 0.053 0.000 1.121 36 S CB 0.782 63.999 63.200 0.028 0.000 0.971 36 S HN 0.739 nan 8.310 nan 0.000 0.463 37 T N 5.278 119.825 114.554 -0.012 0.000 2.803 37 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 37 T C 1.662 176.239 174.700 -0.204 0.000 1.052 37 T CA 1.502 63.513 62.100 -0.148 0.000 1.136 37 T CB -0.293 68.513 68.868 -0.102 0.000 0.864 37 T HN 0.563 nan 8.240 nan 0.000 0.467 38 L N 0.748 121.984 121.223 0.020 0.000 2.005 38 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 38 L C 2.202 179.169 176.870 0.161 0.000 1.072 38 L CA 1.570 56.512 54.840 0.171 0.000 0.744 38 L CB -0.597 41.551 42.059 0.148 0.000 0.895 38 L HN 0.232 nan 8.230 nan 0.000 0.433 39 L N -0.662 120.620 121.223 0.098 0.000 2.042 39 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 39 L C 2.490 179.441 176.870 0.136 0.000 1.076 39 L CA 1.360 56.280 54.840 0.133 0.000 0.749 39 L CB -1.425 40.685 42.059 0.085 0.000 0.893 39 L HN 0.503 nan 8.230 nan 0.000 0.432 40 G N -0.759 108.033 108.800 -0.013 0.000 2.485 40 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.221 40 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.221 40 G C 1.099 175.932 174.900 -0.111 0.000 1.115 40 G CA 0.466 45.499 45.100 -0.112 0.000 0.751 40 G HN 0.465 nan 8.290 nan 0.000 0.567 41 W N -1.366 120.040 121.300 0.176 0.000 2.465 41 W HA 0.222 4.882 4.660 -0.000 0.000 0.268 41 W C 1.921 178.693 176.519 0.420 0.000 1.242 41 W CA -0.117 57.368 57.345 0.233 0.000 1.248 41 W CB -0.131 29.405 29.460 0.128 0.000 1.118 41 W HN 0.185 nan 8.180 nan 0.000 0.587 42 F N -1.140 119.048 119.950 0.398 0.000 2.577 42 F HA 0.438 4.965 4.527 -0.000 0.000 0.276 42 F C 1.483 177.376 175.800 0.156 0.000 1.032 42 F CA 1.132 59.330 58.000 0.330 0.000 1.297 42 F CB -0.276 38.927 39.000 0.339 0.000 1.061 42 F HN -0.250 nan 8.300 nan 0.000 0.680 43 G N -0.449 108.468 108.800 0.195 0.000 3.195 43 G HA2 0.204 4.163 3.960 -0.000 0.000 0.217 43 G HA3 0.204 4.163 3.960 -0.000 0.000 0.217 43 G C -1.241 173.691 174.900 0.054 0.000 1.166 43 G CA -0.765 44.367 45.100 0.054 0.000 0.812 43 G HN -0.069 nan 8.290 nan 0.000 0.617 44 N N 0.563 119.284 118.700 0.035 0.000 2.513 44 N HA 0.367 5.107 4.740 -0.000 0.000 0.268 44 N C 1.076 176.598 175.510 0.020 0.000 1.180 44 N CA 0.430 53.492 53.050 0.021 0.000 0.948 44 N CB 1.707 40.196 38.487 0.002 0.000 1.083 44 N HN 0.535 nan 8.380 nan 0.000 0.455 45 A N 2.277 125.117 122.820 0.033 0.000 2.072 45 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 45 A C 0.973 178.513 177.584 -0.073 0.000 1.156 45 A CA 0.529 52.595 52.037 0.049 0.000 0.701 45 A CB -0.161 18.928 19.000 0.149 0.000 0.816 45 A HN 0.750 nan 8.150 nan 0.000 0.458 46 Q N 0.428 120.101 119.800 -0.213 0.000 2.304 46 Q HA 0.486 4.826 4.340 -0.000 0.000 0.260 46 Q C -1.221 174.539 176.000 -0.400 0.000 0.965 46 Q CA -0.129 55.273 55.803 -0.668 0.000 0.898 46 Q CB 0.446 28.859 28.738 -0.541 0.000 1.196 46 Q HN 0.498 nan 8.270 nan 0.000 0.402 47 L N 3.511 124.471 121.223 -0.438 0.000 2.325 47 L HA 0.658 4.998 4.340 -0.000 0.000 0.278 47 L C 0.632 177.377 176.870 -0.209 0.000 1.023 47 L CA -0.258 54.442 54.840 -0.232 0.000 0.811 47 L CB 1.587 43.550 42.059 -0.161 0.000 1.249 47 L HN 1.036 nan 8.230 nan 0.000 0.431 48 G N 2.896 111.622 108.800 -0.123 0.000 2.806 48 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.236 48 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.236 48 G C -2.812 172.032 174.900 -0.093 0.000 1.387 48 G CA -0.895 44.153 45.100 -0.087 0.000 0.884 48 G HN 0.454 nan 8.290 nan 0.000 0.560 49 P HA 0.570 nan 4.420 nan 0.000 0.274 49 P C -0.095 177.198 177.300 -0.012 0.000 1.256 49 P CA -0.430 62.651 63.100 -0.033 0.000 0.795 49 P CB 0.957 32.646 31.700 -0.018 0.000 1.038 50 I N -0.009 120.560 120.570 -0.001 0.000 2.740 50 I HA 0.377 4.547 4.170 -0.000 0.000 0.303 50 I C -1.050 175.094 176.117 0.046 0.000 1.044 50 I CA -1.409 59.908 61.300 0.027 0.000 1.064 50 I CB 1.706 39.721 38.000 0.025 0.000 1.249 50 I HN 0.208 nan 8.210 nan 0.000 0.433 51 Y N 7.253 127.517 120.300 -0.059 0.000 2.327 51 Y HA 0.536 5.086 4.550 -0.000 0.000 0.336 51 Y C -1.197 174.661 175.900 -0.069 0.000 1.035 51 Y CA -0.405 57.653 58.100 -0.070 0.000 1.165 51 Y CB 0.854 39.256 38.460 -0.096 0.000 1.181 51 Y HN 0.352 nan 8.280 nan 0.000 0.494 52 L N 7.450 128.434 121.223 -0.398 0.000 2.492 52 L HA 0.382 4.722 4.340 -0.000 0.000 0.258 52 L C 0.369 177.025 176.870 -0.357 0.000 1.028 52 L CA -0.330 54.374 54.840 -0.226 0.000 0.900 52 L CB 0.858 42.850 42.059 -0.113 0.000 1.191 52 L HN 0.915 nan 8.230 nan 0.000 0.459 53 G N 0.707 109.339 108.800 -0.280 0.000 2.509 53 G HA2 0.246 4.205 3.960 -0.000 0.000 0.269 53 G HA3 0.246 4.205 3.960 -0.000 0.000 0.269 53 G C 0.845 175.724 174.900 -0.035 0.000 1.416 53 G CA -0.045 44.974 45.100 -0.136 0.000 1.052 53 G HN 0.477 nan 8.290 nan 0.000 0.542 54 S N -0.744 114.954 115.700 -0.003 0.000 2.383 54 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 54 S C 2.276 176.898 174.600 0.037 0.000 1.026 54 S CA 0.780 58.985 58.200 0.009 0.000 0.981 54 S CB -0.311 62.895 63.200 0.010 0.000 0.818 54 S HN 0.319 nan 8.310 nan 0.000 0.472 55 L N 2.142 123.392 121.223 0.044 0.000 2.093 55 L HA 0.061 4.401 4.340 -0.000 0.000 0.208 55 L C 2.272 179.176 176.870 0.058 0.000 1.085 55 L CA 1.664 56.535 54.840 0.052 0.000 0.755 55 L CB -1.204 40.872 42.059 0.028 0.000 0.904 55 L HN 0.326 nan 8.230 nan 0.000 0.435 56 G N -1.427 107.394 108.800 0.035 0.000 2.422 56 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 56 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 56 G C 1.513 176.479 174.900 0.111 0.000 1.146 56 G CA 0.985 46.115 45.100 0.051 0.000 0.769 56 G HN 0.311 nan 8.290 nan 0.000 0.547 57 V N 0.642 120.600 119.914 0.074 0.000 2.427 57 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 57 V C 2.644 178.825 176.094 0.144 0.000 1.051 57 V CA 1.477 63.827 62.300 0.082 0.000 1.048 57 V CB -0.398 31.436 31.823 0.020 0.000 0.666 57 V HN 0.347 nan 8.190 nan 0.000 0.456 58 L N 0.207 121.513 121.223 0.139 0.000 1.989 58 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 58 L C 2.650 179.661 176.870 0.235 0.000 1.071 58 L CA 2.517 57.474 54.840 0.195 0.000 0.749 58 L CB -0.928 41.225 42.059 0.157 0.000 0.890 58 L HN 0.323 nan 8.230 nan 0.000 0.431 59 S N -1.098 114.734 115.700 0.218 0.000 2.353 59 S HA -0.179 4.291 4.470 -0.000 0.000 0.222 59 S C 2.026 176.757 174.600 0.218 0.000 1.035 59 S CA 1.653 60.004 58.200 0.251 0.000 1.025 59 S CB -0.428 63.007 63.200 0.392 0.000 0.902 59 S HN 0.351 nan 8.310 nan 0.000 0.440 60 L N 0.671 122.035 121.223 0.234 0.000 1.971 60 L HA -0.037 4.303 4.340 -0.000 0.000 0.215 60 L C 2.184 179.129 176.870 0.125 0.000 1.072 60 L CA 2.093 57.029 54.840 0.159 0.000 0.758 60 L CB -1.172 40.982 42.059 0.158 0.000 0.889 60 L HN 0.462 nan 8.230 nan 0.000 0.433 61 F N -0.684 119.283 119.950 0.029 0.000 2.126 61 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 61 F C 2.804 178.582 175.800 -0.037 0.000 1.096 61 F CA 1.823 59.814 58.000 -0.015 0.000 1.255 61 F CB -0.556 38.440 39.000 -0.006 0.000 0.997 61 F HN 0.089 nan 8.300 nan 0.000 0.479 62 S N -0.209 115.476 115.700 -0.024 0.000 2.387 62 S HA -0.033 4.437 4.470 -0.000 0.000 0.226 62 S C 2.344 176.894 174.600 -0.083 0.000 1.026 62 S CA 1.132 59.279 58.200 -0.088 0.000 0.972 62 S CB -1.117 62.173 63.200 0.149 0.000 0.814 62 S HN 0.563 nan 8.310 nan 0.000 0.477 63 G N 1.737 110.537 108.800 -0.000 0.000 2.418 63 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.217 63 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.217 63 G C 1.387 176.353 174.900 0.110 0.000 1.158 63 G CA 0.853 46.004 45.100 0.084 0.000 0.771 63 G HN 0.510 nan 8.290 nan 0.000 0.545 64 L N 0.000 121.183 121.223 -0.067 0.000 2.083 64 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 64 L C 3.105 179.893 176.870 -0.137 0.000 1.083 64 L CA 0.770 55.549 54.840 -0.102 0.000 0.752 64 L CB -0.343 41.619 42.059 -0.162 0.000 0.899 64 L HN 0.195 nan 8.230 nan 0.000 0.433 65 M N -1.498 117.829 119.600 -0.454 0.000 2.229 65 M HA -0.224 4.256 4.480 -0.000 0.000 0.264 65 M C 2.165 178.322 176.300 -0.238 0.000 1.063 65 M CA 1.619 56.531 55.300 -0.646 0.000 1.114 65 M CB -0.784 30.799 32.600 -1.694 0.000 1.387 65 M HN 0.462 nan 8.290 nan 0.000 0.420 66 W N 0.892 122.049 121.300 -0.238 0.000 2.333 66 W HA -0.258 4.402 4.660 -0.000 0.000 0.316 66 W C 2.121 178.594 176.519 -0.078 0.000 1.215 66 W CA 1.509 58.825 57.345 -0.050 0.000 1.278 66 W CB -1.096 28.339 29.460 -0.042 0.000 1.154 66 W HN 0.152 nan 8.180 nan 0.000 0.486 67 F N 0.280 120.050 119.950 -0.300 0.000 2.171 67 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 67 F C 2.396 178.037 175.800 -0.265 0.000 1.090 67 F CA 2.309 60.018 58.000 -0.486 0.000 1.293 67 F CB -0.847 37.992 39.000 -0.269 0.000 1.013 67 F HN 0.005 nan 8.300 nan 0.000 0.486 68 F N -0.150 119.774 119.950 -0.043 0.000 2.367 68 F HA -0.064 4.462 4.527 -0.000 0.000 0.298 68 F C 2.006 177.741 175.800 -0.107 0.000 1.094 68 F CA 1.491 59.462 58.000 -0.048 0.000 1.409 68 F CB -0.857 38.129 39.000 -0.022 0.000 1.064 68 F HN -0.214 nan 8.300 nan 0.000 0.528 69 T N 1.785 116.179 114.554 -0.267 0.000 2.777 69 T HA -0.113 4.236 4.350 -0.000 0.000 0.266 69 T C 1.983 176.462 174.700 -0.368 0.000 1.040 69 T CA 1.972 63.872 62.100 -0.333 0.000 1.141 69 T CB -0.325 68.538 68.868 -0.008 0.000 0.868 69 T HN 0.317 nan 8.240 nan 0.000 0.444 70 I N 1.024 121.279 120.570 -0.524 0.000 2.233 70 I HA -0.039 4.131 4.170 -0.000 0.000 0.243 70 I C 2.929 178.609 176.117 -0.729 0.000 1.093 70 I CA 1.153 62.045 61.300 -0.681 0.000 1.380 70 I CB -0.790 36.588 38.000 -1.038 0.000 1.067 70 I HN 0.291 nan 8.210 nan 0.000 0.413 71 G N 1.206 109.626 108.800 -0.634 0.000 2.476 71 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 71 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 71 G C 1.687 176.615 174.900 0.047 0.000 1.164 71 G CA 1.030 45.976 45.100 -0.257 0.000 0.768 71 G HN 0.303 nan 8.290 nan 0.000 0.560 72 I N -0.578 119.912 120.570 -0.135 0.000 2.226 72 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 72 I C 2.378 178.551 176.117 0.094 0.000 1.100 72 I CA 1.018 62.305 61.300 -0.021 0.000 1.374 72 I CB -0.209 37.583 38.000 -0.347 0.000 1.057 72 I HN 0.485 nan 8.210 nan 0.000 0.413 73 W N 0.201 121.426 121.300 -0.125 0.000 2.355 73 W HA -0.303 4.356 4.660 -0.000 0.000 0.309 73 W C 2.110 178.681 176.519 0.087 0.000 1.206 73 W CA 1.212 58.556 57.345 -0.002 0.000 1.284 73 W CB -0.358 29.110 29.460 0.013 0.000 1.145 73 W HN 0.108 nan 8.180 nan 0.000 0.502 74 F N -0.239 119.537 119.950 -0.290 0.000 2.069 74 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 74 F C 2.143 177.402 175.800 -0.902 0.000 1.113 74 F CA 1.177 58.716 58.000 -0.769 0.000 1.214 74 F CB -1.812 36.865 39.000 -0.538 0.000 0.978 74 F HN -0.062 nan 8.300 nan 0.000 0.474 75 W N -1.049 120.122 121.300 -0.215 0.000 2.321 75 W HA -0.292 4.368 4.660 -0.000 0.000 0.306 75 W C 2.664 178.582 176.519 -1.002 0.000 1.217 75 W CA 1.953 59.082 57.345 -0.359 0.000 1.257 75 W CB -1.186 28.179 29.460 -0.157 0.000 1.145 75 W HN 0.088 nan 8.180 nan 0.000 0.509 76 Y N 1.107 120.747 120.300 -1.101 0.000 2.145 76 Y HA -0.324 4.226 4.550 -0.000 0.000 0.286 76 Y C 2.433 177.739 175.900 -0.990 0.000 1.145 76 Y CA 2.304 59.605 58.100 -1.332 0.000 1.148 76 Y CB -0.861 37.096 38.460 -0.838 0.000 0.981 76 Y HN 0.015 nan 8.280 nan 0.000 0.507 77 Q N -0.352 118.805 119.800 -1.072 0.000 2.135 77 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 77 Q C 2.169 177.799 176.000 -0.617 0.000 0.981 77 Q CA 1.311 56.576 55.803 -0.896 0.000 0.856 77 Q CB -0.381 27.887 28.738 -0.782 0.000 0.902 77 Q HN 0.605 nan 8.270 nan 0.000 0.425 78 A N 0.296 122.691 122.820 -0.709 0.000 2.235 78 A HA 0.203 4.523 4.320 -0.000 0.000 0.208 78 A C 1.307 178.733 177.584 -0.263 0.000 1.172 78 A CA 0.677 52.533 52.037 -0.303 0.000 0.786 78 A CB -0.625 18.239 19.000 -0.226 0.000 0.804 78 A HN 0.449 nan 8.150 nan 0.000 0.479 79 G N -1.639 106.869 108.800 -0.488 0.000 2.356 79 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.296 79 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.296 79 G C 0.257 175.113 174.900 -0.073 0.000 1.022 79 G CA 0.186 45.076 45.100 -0.350 0.000 0.961 79 G HN 1.101 nan 8.290 nan 0.000 0.510 80 W N -2.412 118.949 121.300 0.103 0.000 5.400 80 W HA -0.209 4.451 4.660 -0.000 0.000 0.357 80 W C 0.695 177.379 176.519 0.276 0.000 1.291 80 W CA 0.497 57.985 57.345 0.239 0.000 0.911 80 W CB -1.706 27.820 29.460 0.109 0.000 2.382 80 W HN 0.678 nan 8.180 nan 0.000 1.557 81 N N 0.788 119.702 118.700 0.358 0.000 2.479 81 N HA 0.250 4.989 4.740 -0.000 0.000 0.261 81 N C -0.927 174.748 175.510 0.276 0.000 0.979 81 N CA -2.190 51.029 53.050 0.282 0.000 0.930 81 N CB 1.650 40.225 38.487 0.148 0.000 1.172 81 N HN -0.246 nan 8.380 nan 0.000 0.499 82 P HA -0.071 nan 4.420 nan 0.000 0.220 82 P C 0.940 178.336 177.300 0.161 0.000 1.148 82 P CA 0.782 64.058 63.100 0.292 0.000 0.803 82 P CB 0.329 32.270 31.700 0.401 0.000 0.782 83 A N 0.245 123.142 122.820 0.128 0.000 1.858 83 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 83 A C 2.446 180.049 177.584 0.032 0.000 1.190 83 A CA 2.012 54.089 52.037 0.068 0.000 0.617 83 A CB -1.640 17.390 19.000 0.050 0.000 0.827 83 A HN 0.064 nan 8.150 nan 0.000 0.443 84 V N -1.187 118.749 119.914 0.037 0.000 2.427 84 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 84 V C 2.257 178.374 176.094 0.037 0.000 1.051 84 V CA 1.946 64.246 62.300 0.001 0.000 1.048 84 V CB -0.990 30.840 31.823 0.012 0.000 0.666 84 V HN 0.606 nan 8.190 nan 0.000 0.456 85 F N 0.152 120.029 119.950 -0.121 0.000 2.095 85 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 85 F C 2.100 177.833 175.800 -0.113 0.000 1.104 85 F CA 1.722 59.603 58.000 -0.198 0.000 1.232 85 F CB -0.136 38.357 39.000 -0.846 0.000 0.987 85 F HN 0.026 nan 8.300 nan 0.000 0.475 86 L N 0.541 121.780 121.223 0.028 0.000 2.093 86 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 86 L C 2.536 179.282 176.870 -0.206 0.000 1.085 86 L CA 1.578 56.377 54.840 -0.068 0.000 0.755 86 L CB -1.559 40.515 42.059 0.024 0.000 0.904 86 L HN 0.226 nan 8.230 nan 0.000 0.435 87 R N 0.070 120.462 120.500 -0.180 0.000 2.070 87 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 87 R C 0.698 176.786 176.300 -0.354 0.000 1.137 87 R CA 1.777 57.739 56.100 -0.230 0.000 0.945 87 R CB 0.056 30.238 30.300 -0.196 0.000 0.845 87 R HN 0.256 nan 8.270 nan 0.000 0.430 88 D N 0.596 120.691 120.400 -0.509 0.000 2.358 88 D HA -0.006 4.634 4.640 -0.000 0.000 0.224 88 D C 1.217 176.865 176.300 -1.087 0.000 1.123 88 D CA -0.063 53.445 54.000 -0.820 0.000 0.833 88 D CB 0.474 40.621 40.800 -1.088 0.000 0.946 88 D HN 0.146 nan 8.370 nan 0.000 0.505 89 L N -0.035 120.768 121.223 -0.700 0.000 2.042 89 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 89 L C 1.443 178.132 176.870 -0.302 0.000 1.076 89 L CA 1.676 56.188 54.840 -0.546 0.000 0.749 89 L CB -0.364 41.439 42.059 -0.427 0.000 0.893 89 L HN -0.045 nan 8.230 nan 0.000 0.432 90 F N -1.485 118.113 119.950 -0.587 0.000 2.661 90 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 90 F C 1.802 176.968 175.800 -1.057 0.000 1.137 90 F CA 0.302 57.725 58.000 -0.961 0.000 1.454 90 F CB -0.948 37.137 39.000 -1.525 0.000 1.103 90 F HN 0.086 nan 8.300 nan 0.000 0.577 91 F N -2.235 117.369 119.950 -0.576 0.000 2.714 91 F HA 0.130 4.657 4.527 -0.000 0.000 0.294 91 F C 0.746 176.296 175.800 -0.417 0.000 1.120 91 F CA -0.427 57.348 58.000 -0.374 0.000 1.398 91 F CB -0.326 38.448 39.000 -0.376 0.000 1.120 91 F HN -0.353 nan 8.300 nan 0.000 0.589 92 F N 0.588 120.296 119.950 -0.404 0.000 2.450 92 F HA 0.374 4.900 4.527 -0.000 0.000 0.339 92 F C 0.678 176.210 175.800 -0.447 0.000 1.146 92 F CA -0.681 56.889 58.000 -0.717 0.000 1.267 92 F CB 0.598 38.510 39.000 -1.815 0.000 1.178 92 F HN -0.369 nan 8.300 nan 0.000 0.585 93 S N 2.137 117.980 115.700 0.237 0.000 2.566 93 S HA 0.501 4.971 4.470 -0.000 0.000 0.273 93 S C -1.803 173.255 174.600 0.764 0.000 1.157 93 S CA -0.656 57.849 58.200 0.507 0.000 0.938 93 S CB 0.802 64.204 63.200 0.336 0.000 1.087 93 S HN 0.511 nan 8.310 nan 0.000 0.474 94 L N 5.068 126.730 121.223 0.732 0.000 2.259 94 L HA 0.593 4.933 4.340 -0.000 0.000 0.288 94 L C -0.366 176.727 176.870 0.372 0.000 1.051 94 L CA 0.274 55.360 54.840 0.410 0.000 0.824 94 L CB 0.615 42.879 42.059 0.341 0.000 1.206 94 L HN 0.595 nan 8.230 nan 0.000 0.429 95 E N 6.780 127.072 120.200 0.153 0.000 2.204 95 E HA 0.474 4.824 4.350 -0.000 0.000 0.276 95 E C -2.441 174.004 176.600 -0.259 0.000 0.974 95 E CA -1.916 54.481 56.400 -0.006 0.000 0.815 95 E CB 1.121 30.846 29.700 0.040 0.000 1.119 95 E HN 0.425 nan 8.360 nan 0.000 0.393 96 P HA 0.206 nan 4.420 nan 0.000 0.274 96 P C -2.542 174.538 177.300 -0.367 0.000 1.256 96 P CA -1.437 61.046 63.100 -1.028 0.000 0.795 96 P CB -0.637 30.119 31.700 -1.573 0.000 1.038 97 P HA 0.068 nan 4.420 nan 0.000 0.269 97 P C -0.117 177.235 177.300 0.087 0.000 1.209 97 P CA 0.179 63.268 63.100 -0.018 0.000 0.776 97 P CB -0.015 31.714 31.700 0.049 0.000 0.876 98 A N 4.869 127.818 122.820 0.216 0.000 2.492 98 A HA 0.136 4.456 4.320 -0.000 0.000 0.236 98 A C -1.160 176.522 177.584 0.162 0.000 1.078 98 A CA -0.508 51.637 52.037 0.180 0.000 0.773 98 A CB -1.280 17.834 19.000 0.189 0.000 1.023 98 A HN 0.434 nan 8.150 nan 0.000 0.504 99 P HA -0.149 nan 4.420 nan 0.000 0.217 99 P C 0.825 178.124 177.300 -0.001 0.000 1.148 99 P CA 1.559 64.675 63.100 0.027 0.000 0.828 99 P CB 0.119 31.817 31.700 -0.003 0.000 0.783 100 E N -1.982 118.184 120.200 -0.057 0.000 2.267 100 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 100 E C 1.105 177.565 176.600 -0.233 0.000 0.998 100 E CA 1.059 57.350 56.400 -0.181 0.000 0.830 100 E CB -0.804 28.725 29.700 -0.285 0.000 0.751 100 E HN 0.462 nan 8.360 nan 0.000 0.491 101 Y N -0.408 119.909 120.300 0.028 0.000 2.466 101 Y HA 0.209 4.758 4.550 -0.000 0.000 0.272 101 Y C 1.718 177.641 175.900 0.038 0.000 1.169 101 Y CA 0.269 58.400 58.100 0.052 0.000 1.285 101 Y CB -0.125 38.395 38.460 0.101 0.000 1.078 101 Y HN 0.075 nan 8.280 nan 0.000 0.523 102 G N 1.012 109.869 108.800 0.095 0.000 2.652 102 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.318 102 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.318 102 G C 0.665 175.512 174.900 -0.087 0.000 1.295 102 G CA 0.748 45.837 45.100 -0.019 0.000 0.999 102 G HN 0.302 nan 8.290 nan 0.000 0.548 103 L N 1.863 122.956 121.223 -0.216 0.000 2.685 103 L HA 0.351 4.691 4.340 -0.000 0.000 0.233 103 L C 1.782 178.641 176.870 -0.020 0.000 1.173 103 L CA 0.483 55.050 54.840 -0.456 0.000 0.961 103 L CB -0.071 41.662 42.059 -0.543 0.000 1.217 103 L HN 0.661 nan 8.230 nan 0.000 0.478 104 S N -0.823 114.929 115.700 0.086 0.000 2.624 104 S HA 0.220 4.690 4.470 -0.000 0.000 0.263 104 S C 0.339 175.055 174.600 0.193 0.000 1.287 104 S CA -0.272 57.941 58.200 0.020 0.000 0.990 104 S CB 0.659 63.916 63.200 0.095 0.000 0.950 104 S HN 0.134 nan 8.310 nan 0.000 0.561 105 F N 0.152 120.212 119.950 0.184 0.000 2.639 105 F HA 0.480 5.007 4.527 -0.000 0.000 0.300 105 F C 1.871 177.678 175.800 0.012 0.000 1.109 105 F CA -0.844 57.201 58.000 0.075 0.000 1.335 105 F CB -1.068 37.950 39.000 0.030 0.000 1.014 105 F HN 0.733 nan 8.300 nan 0.000 0.537 106 A N 0.121 123.054 122.820 0.188 0.000 2.206 106 A HA 0.426 4.746 4.320 -0.000 0.000 0.211 106 A C 1.564 179.123 177.584 -0.043 0.000 1.158 106 A CA 0.507 52.622 52.037 0.130 0.000 0.761 106 A CB -0.741 18.396 19.000 0.228 0.000 0.801 106 A HN 0.158 nan 8.150 nan 0.000 0.473 107 A N 1.076 123.683 122.820 -0.355 0.000 2.425 107 A HA 0.518 4.838 4.320 -0.000 0.000 0.249 107 A C -2.246 175.150 177.584 -0.313 0.000 1.084 107 A CA -1.173 50.376 52.037 -0.814 0.000 0.781 107 A CB -0.369 18.035 19.000 -0.993 0.000 1.019 107 A HN 0.238 nan 8.150 nan 0.000 0.490 108 P HA 0.025 nan 4.420 nan 0.000 0.265 108 P C 1.117 178.352 177.300 -0.109 0.000 1.187 108 P CA -0.137 62.912 63.100 -0.084 0.000 0.766 108 P CB 0.366 32.059 31.700 -0.012 0.000 0.820 109 L N 2.086 123.262 121.223 -0.078 0.000 2.010 109 L HA -0.286 4.054 4.340 -0.000 0.000 0.219 109 L C 1.973 178.748 176.870 -0.157 0.000 1.077 109 L CA 2.020 56.801 54.840 -0.098 0.000 0.773 109 L CB -0.628 41.398 42.059 -0.055 0.000 0.892 109 L HN 0.489 nan 8.230 nan 0.000 0.436 110 K N -0.305 120.038 120.400 -0.095 0.000 2.574 110 K HA -0.084 4.236 4.320 -0.000 0.000 0.193 110 K C 0.246 176.753 176.600 -0.155 0.000 1.035 110 K CA 0.698 56.925 56.287 -0.101 0.000 0.982 110 K CB 0.062 32.648 32.500 0.142 0.000 0.795 110 K HN 0.430 nan 8.250 nan 0.000 0.491 111 E N -0.986 119.133 120.200 -0.135 0.000 3.843 111 E HA 0.153 4.503 4.350 -0.000 0.000 0.189 111 E C 0.212 176.730 176.600 -0.136 0.000 1.013 111 E CA -0.210 56.141 56.400 -0.082 0.000 1.395 111 E CB 1.445 31.157 29.700 0.019 0.000 1.136 111 E HN 0.302 nan 8.360 nan 0.000 0.444 112 G N -0.078 108.622 108.800 -0.167 0.000 3.514 112 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.197 112 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.197 112 G C 1.157 176.025 174.900 -0.053 0.000 1.098 112 G CA -0.090 44.941 45.100 -0.115 0.000 0.884 112 G HN 0.363 nan 8.290 nan 0.000 0.433 113 G N 1.052 109.780 108.800 -0.121 0.000 2.440 113 G HA2 0.006 3.966 3.960 -0.000 0.000 0.218 113 G HA3 0.006 3.966 3.960 -0.000 0.000 0.218 113 G C 1.716 176.556 174.900 -0.100 0.000 1.154 113 G CA 1.559 46.594 45.100 -0.108 0.000 0.767 113 G HN 0.439 nan 8.290 nan 0.000 0.552 114 L N -0.770 120.378 121.223 -0.124 0.000 2.141 114 L HA 0.054 4.394 4.340 -0.000 0.000 0.209 114 L C 2.282 179.121 176.870 -0.052 0.000 1.094 114 L CA 0.876 55.645 54.840 -0.119 0.000 0.763 114 L CB -1.290 40.636 42.059 -0.221 0.000 0.908 114 L HN 0.565 nan 8.230 nan 0.000 0.437 115 W N 0.250 121.452 121.300 -0.162 0.000 2.358 115 W HA -0.209 4.450 4.660 -0.000 0.000 0.303 115 W C 2.363 178.871 176.519 -0.018 0.000 1.208 115 W CA 1.380 58.714 57.345 -0.018 0.000 1.274 115 W CB -0.123 29.299 29.460 -0.063 0.000 1.138 115 W HN 0.036 nan 8.180 nan 0.000 0.515 116 L N 0.121 121.371 121.223 0.045 0.000 2.046 116 L HA -0.231 4.108 4.340 -0.000 0.000 0.208 116 L C 2.422 179.119 176.870 -0.288 0.000 1.077 116 L CA 1.472 56.179 54.840 -0.222 0.000 0.747 116 L CB -0.855 41.058 42.059 -0.244 0.000 0.896 116 L HN 0.007 nan 8.230 nan 0.000 0.432 117 I N -0.157 120.278 120.570 -0.225 0.000 2.163 117 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 117 I C 2.810 178.868 176.117 -0.099 0.000 1.085 117 I CA 1.273 62.434 61.300 -0.232 0.000 1.347 117 I CB -0.530 37.388 38.000 -0.136 0.000 1.044 117 I HN 0.213 nan 8.210 nan 0.000 0.408 118 A N 0.218 123.021 122.820 -0.029 0.000 1.877 118 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 118 A C 2.489 180.117 177.584 0.074 0.000 1.186 118 A CA 2.318 54.407 52.037 0.087 0.000 0.620 118 A CB -0.796 18.079 19.000 -0.209 0.000 0.822 118 A HN 0.411 nan 8.150 nan 0.000 0.443 119 S N -1.051 114.543 115.700 -0.177 0.000 2.383 119 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 119 S C 1.626 176.297 174.600 0.118 0.000 1.026 119 S CA 1.291 59.439 58.200 -0.087 0.000 0.981 119 S CB -0.530 62.324 63.200 -0.577 0.000 0.818 119 S HN 0.619 nan 8.310 nan 0.000 0.472 120 F N 2.032 121.891 119.950 -0.152 0.000 2.069 120 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 120 F C 1.681 177.473 175.800 -0.012 0.000 1.113 120 F CA 1.332 59.227 58.000 -0.175 0.000 1.214 120 F CB -0.494 38.236 39.000 -0.450 0.000 0.978 120 F HN 0.110 nan 8.300 nan 0.000 0.474 121 F N -0.069 119.892 119.950 0.019 0.000 2.216 121 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 121 F C 2.614 178.325 175.800 -0.149 0.000 1.085 121 F CA 1.556 59.522 58.000 -0.056 0.000 1.326 121 F CB -0.999 38.076 39.000 0.125 0.000 1.027 121 F HN 0.079 nan 8.300 nan 0.000 0.497 122 M N -1.375 118.196 119.600 -0.047 0.000 2.200 122 M HA -0.190 4.290 4.480 -0.000 0.000 0.265 122 M C 2.283 178.540 176.300 -0.072 0.000 1.066 122 M CA 1.524 56.599 55.300 -0.376 0.000 1.127 122 M CB -0.382 31.758 32.600 -0.767 0.000 1.379 122 M HN 0.174 nan 8.290 nan 0.000 0.420 123 F N 0.543 120.488 119.950 -0.009 0.000 2.069 123 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 123 F C 1.887 177.712 175.800 0.042 0.000 1.113 123 F CA 2.110 60.150 58.000 0.067 0.000 1.214 123 F CB -0.528 38.346 39.000 -0.209 0.000 0.978 123 F HN -0.083 nan 8.300 nan 0.000 0.474 124 V N 0.642 120.585 119.914 0.047 0.000 2.332 124 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 124 V C 2.713 178.829 176.094 0.037 0.000 1.055 124 V CA 1.793 64.101 62.300 0.013 0.000 1.038 124 V CB -1.764 30.001 31.823 -0.097 0.000 0.651 124 V HN 0.523 nan 8.190 nan 0.000 0.450 125 A N -0.060 122.753 122.820 -0.012 0.000 1.883 125 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 125 A C 2.400 179.972 177.584 -0.020 0.000 1.186 125 A CA 2.274 54.306 52.037 -0.007 0.000 0.624 125 A CB -0.733 18.207 19.000 -0.099 0.000 0.822 125 A HN 0.347 nan 8.150 nan 0.000 0.444 126 V N -2.439 117.333 119.914 -0.237 0.000 2.307 126 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 126 V C 2.268 178.245 176.094 -0.195 0.000 1.045 126 V CA 1.764 63.841 62.300 -0.371 0.000 1.024 126 V CB -1.068 30.114 31.823 -1.069 0.000 0.651 126 V HN 0.777 nan 8.190 nan 0.000 0.449 127 W N 0.947 122.143 121.300 -0.172 0.000 2.381 127 W HA -0.173 4.487 4.660 -0.000 0.000 0.301 127 W C 2.992 179.588 176.519 0.127 0.000 1.205 127 W CA 1.647 58.934 57.345 -0.096 0.000 1.285 127 W CB -0.448 28.806 29.460 -0.344 0.000 1.133 127 W HN 0.342 nan 8.180 nan 0.000 0.521 128 S N -0.900 114.985 115.700 0.308 0.000 2.399 128 S HA -0.256 4.214 4.470 -0.000 0.000 0.231 128 S C 1.673 176.415 174.600 0.237 0.000 1.022 128 S CA 0.980 59.330 58.200 0.250 0.000 0.983 128 S CB -1.274 62.042 63.200 0.193 0.000 0.803 128 S HN 0.479 nan 8.310 nan 0.000 0.480 129 W N 0.949 122.321 121.300 0.119 0.000 2.388 129 W HA -0.081 4.579 4.660 -0.000 0.000 0.294 129 W C 1.913 178.567 176.519 0.224 0.000 1.212 129 W CA 0.975 58.389 57.345 0.116 0.000 1.271 129 W CB -0.520 28.984 29.460 0.073 0.000 1.126 129 W HN 0.493 nan 8.180 nan 0.000 0.535 130 W N 1.543 123.039 121.300 0.328 0.000 2.333 130 W HA -0.137 4.523 4.660 -0.000 0.000 0.316 130 W C 2.528 179.116 176.519 0.115 0.000 1.215 130 W CA 3.516 61.010 57.345 0.250 0.000 1.278 130 W CB -0.966 28.463 29.460 -0.052 0.000 1.154 130 W HN -0.106 nan 8.180 nan 0.000 0.486 131 G N 0.381 109.261 108.800 0.132 0.000 2.450 131 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.220 131 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.220 131 G C 1.594 176.318 174.900 -0.294 0.000 1.130 131 G CA 1.185 46.191 45.100 -0.157 0.000 0.760 131 G HN 0.400 nan 8.290 nan 0.000 0.557 132 R N 0.557 120.882 120.500 -0.292 0.000 2.115 132 R HA -0.075 4.265 4.340 -0.000 0.000 0.226 132 R C 2.678 178.687 176.300 -0.486 0.000 1.100 132 R CA 2.023 57.877 56.100 -0.409 0.000 0.980 132 R CB -0.723 29.240 30.300 -0.562 0.000 0.875 132 R HN 0.405 nan 8.270 nan 0.000 0.445 133 T N -1.948 112.300 114.554 -0.509 0.000 2.867 133 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 133 T C 1.751 176.165 174.700 -0.477 0.000 1.057 133 T CA 1.030 62.859 62.100 -0.451 0.000 1.136 133 T CB -0.488 68.189 68.868 -0.319 0.000 0.874 133 T HN 0.414 nan 8.240 nan 0.000 0.466 134 Y N 1.677 121.551 120.300 -0.710 0.000 2.153 134 Y HA 0.233 4.782 4.550 -0.000 0.000 0.289 134 Y C 2.188 177.822 175.900 -0.443 0.000 1.127 134 Y CA 0.920 58.617 58.100 -0.670 0.000 1.131 134 Y CB -0.366 37.568 38.460 -0.877 0.000 0.995 134 Y HN 0.114 nan 8.280 nan 0.000 0.505 135 L N -0.286 120.843 121.223 -0.157 0.000 2.083 135 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 135 L C 2.530 179.232 176.870 -0.281 0.000 1.083 135 L CA 1.062 55.811 54.840 -0.152 0.000 0.752 135 L CB -0.472 41.505 42.059 -0.137 0.000 0.899 135 L HN 0.134 nan 8.230 nan 0.000 0.433 136 R N 0.120 120.405 120.500 -0.358 0.000 2.092 136 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 136 R C 2.297 178.398 176.300 -0.332 0.000 1.119 136 R CA 1.378 57.238 56.100 -0.399 0.000 0.970 136 R CB -0.985 29.079 30.300 -0.394 0.000 0.864 136 R HN 0.353 nan 8.270 nan 0.000 0.440 137 A N 1.051 123.665 122.820 -0.342 0.000 1.902 137 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 137 A C 2.200 179.607 177.584 -0.295 0.000 1.181 137 A CA 1.555 53.397 52.037 -0.324 0.000 0.623 137 A CB -0.512 18.244 19.000 -0.407 0.000 0.818 137 A HN 0.403 nan 8.150 nan 0.000 0.443 138 Q N -0.614 118.995 119.800 -0.318 0.000 2.124 138 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 138 Q C 2.090 177.989 176.000 -0.168 0.000 0.977 138 Q CA 1.497 57.161 55.803 -0.232 0.000 0.850 138 Q CB -0.313 28.333 28.738 -0.153 0.000 0.901 138 Q HN 0.603 nan 8.270 nan 0.000 0.429 139 A N 0.210 122.914 122.820 -0.193 0.000 2.014 139 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 139 A C 1.735 179.232 177.584 -0.145 0.000 1.163 139 A CA 0.726 52.662 52.037 -0.168 0.000 0.652 139 A CB -0.185 18.676 19.000 -0.232 0.000 0.808 139 A HN 0.427 nan 8.150 nan 0.000 0.449 140 L N -1.323 119.803 121.223 -0.161 0.000 2.592 140 L HA 0.244 4.584 4.340 -0.000 0.000 0.227 140 L C 1.590 178.395 176.870 -0.109 0.000 1.127 140 L CA 0.509 55.272 54.840 -0.129 0.000 0.884 140 L CB 0.066 42.041 42.059 -0.141 0.000 1.065 140 L HN 0.520 nan 8.230 nan 0.000 0.457 141 G N 0.238 108.970 108.800 -0.113 0.000 2.153 141 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.252 141 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.252 141 G C 0.272 175.117 174.900 -0.093 0.000 0.994 141 G CA 0.271 45.317 45.100 -0.090 0.000 0.698 141 G HN 0.281 nan 8.290 nan 0.000 0.521 142 M N 0.380 119.906 119.600 -0.123 0.000 2.283 142 M HA 0.546 5.026 4.480 -0.000 0.000 0.314 142 M C 1.397 177.630 176.300 -0.111 0.000 1.153 142 M CA 0.033 55.266 55.300 -0.112 0.000 1.084 142 M CB 0.723 33.244 32.600 -0.132 0.000 1.468 142 M HN 0.198 nan 8.290 nan 0.000 0.474 143 G N 0.580 109.363 108.800 -0.029 0.000 2.667 143 G HA2 0.161 4.121 3.960 -0.000 0.000 0.250 143 G HA3 0.161 4.121 3.960 -0.000 0.000 0.250 143 G C 0.218 175.095 174.900 -0.037 0.000 1.212 143 G CA -0.569 44.568 45.100 0.062 0.000 0.874 143 G HN 0.652 nan 8.290 nan 0.000 0.561 144 K N -0.189 120.115 120.400 -0.159 0.000 2.493 144 K HA 0.108 4.428 4.320 -0.000 0.000 0.207 144 K C 1.293 177.607 176.600 -0.476 0.000 1.033 144 K CA -0.135 55.851 56.287 -0.501 0.000 1.161 144 K CB 0.098 32.139 32.500 -0.765 0.000 0.873 144 K HN 0.582 nan 8.250 nan 0.000 0.491 145 H N 0.466 119.423 119.070 -0.189 0.000 2.387 145 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 145 H C 1.709 176.975 175.328 -0.104 0.000 1.099 145 H CA 1.939 57.956 56.048 -0.051 0.000 1.315 145 H CB -0.335 29.407 29.762 -0.034 0.000 1.380 145 H HN 0.086 nan 8.280 nan 0.000 0.513 146 T N 0.203 114.729 114.554 -0.047 0.000 2.708 146 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 146 T C 2.396 177.067 174.700 -0.049 0.000 1.037 146 T CA 1.334 63.395 62.100 -0.064 0.000 1.146 146 T CB -0.530 68.263 68.868 -0.126 0.000 0.865 146 T HN 0.524 nan 8.240 nan 0.000 0.435 147 A N 0.468 123.132 122.820 -0.260 0.000 1.933 147 A HA -0.061 4.258 4.320 -0.000 0.000 0.218 147 A C 2.122 179.783 177.584 0.127 0.000 1.175 147 A CA 1.149 53.040 52.037 -0.243 0.000 0.628 147 A CB -1.123 17.421 19.000 -0.760 0.000 0.814 147 A HN 0.739 nan 8.150 nan 0.000 0.444 148 W N -0.359 121.079 121.300 0.231 0.000 2.381 148 W HA -0.018 4.642 4.660 -0.000 0.000 0.301 148 W C 2.752 179.337 176.519 0.110 0.000 1.205 148 W CA 0.589 58.035 57.345 0.169 0.000 1.285 148 W CB -0.135 29.334 29.460 0.016 0.000 1.133 148 W HN 0.378 nan 8.180 nan 0.000 0.521 149 A N 0.299 123.279 122.820 0.266 0.000 1.902 149 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 149 A C 1.777 179.521 177.584 0.266 0.000 1.181 149 A CA 1.425 53.554 52.037 0.153 0.000 0.623 149 A CB -1.229 17.811 19.000 0.067 0.000 0.818 149 A HN 0.337 nan 8.150 nan 0.000 0.443 150 F N 0.192 120.230 119.950 0.148 0.000 2.216 150 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 150 F C 1.734 177.647 175.800 0.189 0.000 1.085 150 F CA 1.113 59.214 58.000 0.169 0.000 1.326 150 F CB -0.596 38.531 39.000 0.211 0.000 1.027 150 F HN 0.176 nan 8.300 nan 0.000 0.497 151 L N -0.326 121.055 121.223 0.264 0.000 2.131 151 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 151 L C 2.731 179.654 176.870 0.089 0.000 1.092 151 L CA 1.943 56.806 54.840 0.038 0.000 0.759 151 L CB -1.246 40.957 42.059 0.241 0.000 0.903 151 L HN 0.242 nan 8.230 nan 0.000 0.435 152 S N -1.268 114.524 115.700 0.153 0.000 2.383 152 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 152 S C 2.125 176.868 174.600 0.238 0.000 1.026 152 S CA 1.086 59.394 58.200 0.180 0.000 0.981 152 S CB -0.199 63.073 63.200 0.121 0.000 0.818 152 S HN 0.566 nan 8.310 nan 0.000 0.472 153 A N 1.181 124.121 122.820 0.199 0.000 1.929 153 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 153 A C 2.059 179.734 177.584 0.152 0.000 1.176 153 A CA 1.129 53.282 52.037 0.194 0.000 0.628 153 A CB -0.651 18.495 19.000 0.243 0.000 0.816 153 A HN 0.607 nan 8.150 nan 0.000 0.444 154 I N -1.241 119.328 120.570 -0.002 0.000 2.361 154 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 154 I C 2.466 178.730 176.117 0.245 0.000 1.133 154 I CA 1.227 62.501 61.300 -0.044 0.000 1.413 154 I CB -0.294 37.336 38.000 -0.618 0.000 1.073 154 I HN 0.761 nan 8.210 nan 0.000 0.424 155 W N 1.734 123.053 121.300 0.032 0.000 2.333 155 W HA -0.298 4.362 4.660 -0.000 0.000 0.316 155 W C 2.333 178.905 176.519 0.089 0.000 1.215 155 W CA 1.221 58.602 57.345 0.060 0.000 1.278 155 W CB -0.315 29.169 29.460 0.039 0.000 1.154 155 W HN 0.142 nan 8.180 nan 0.000 0.486 156 L N 1.176 122.372 121.223 -0.045 0.000 2.012 156 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 156 L C 2.321 179.158 176.870 -0.055 0.000 1.073 156 L CA 2.850 57.592 54.840 -0.163 0.000 0.748 156 L CB -1.756 40.314 42.059 0.020 0.000 0.891 156 L HN 0.265 nan 8.230 nan 0.000 0.431 157 W N -0.264 120.985 121.300 -0.085 0.000 2.358 157 W HA -0.239 4.421 4.660 -0.000 0.000 0.303 157 W C 2.243 178.794 176.519 0.053 0.000 1.208 157 W CA 1.861 59.185 57.345 -0.034 0.000 1.274 157 W CB -0.270 29.162 29.460 -0.047 0.000 1.138 157 W HN 0.103 nan 8.180 nan 0.000 0.515 158 M N 0.211 119.650 119.600 -0.268 0.000 2.117 158 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 158 M C 1.930 178.116 176.300 -0.191 0.000 1.065 158 M CA 1.458 56.554 55.300 -0.339 0.000 1.114 158 M CB -1.552 31.025 32.600 -0.039 0.000 1.361 158 M HN -0.013 nan 8.290 nan 0.000 0.408 159 V N 0.676 120.388 119.914 -0.337 0.000 2.261 159 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 159 V C 2.503 178.474 176.094 -0.205 0.000 1.047 159 V CA 1.590 63.671 62.300 -0.365 0.000 1.015 159 V CB -0.743 30.686 31.823 -0.656 0.000 0.642 159 V HN 0.391 nan 8.190 nan 0.000 0.446 160 L N 0.232 121.333 121.223 -0.203 0.000 2.083 160 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 160 L C 2.421 179.177 176.870 -0.189 0.000 1.083 160 L CA 1.863 56.607 54.840 -0.160 0.000 0.752 160 L CB -0.795 41.150 42.059 -0.191 0.000 0.899 160 L HN 0.475 nan 8.230 nan 0.000 0.433 161 G N -2.072 106.549 108.800 -0.298 0.000 2.656 161 G HA2 0.013 3.973 3.960 -0.000 0.000 0.211 161 G HA3 0.013 3.973 3.960 -0.000 0.000 0.211 161 G C 1.009 175.468 174.900 -0.735 0.000 1.137 161 G CA 0.131 44.904 45.100 -0.546 0.000 0.802 161 G HN 0.243 nan 8.290 nan 0.000 0.527 162 F N -0.552 119.395 119.950 -0.005 0.000 2.268 162 F HA 0.384 4.911 4.527 -0.000 0.000 0.262 162 F C 2.241 178.082 175.800 0.069 0.000 0.910 162 F CA -0.336 57.746 58.000 0.136 0.000 1.142 162 F CB -0.171 38.874 39.000 0.076 0.000 1.229 162 F HN -0.096 nan 8.300 nan 0.000 0.781 163 I N 0.634 121.308 120.570 0.174 0.000 2.142 163 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 163 I C 2.617 178.751 176.117 0.028 0.000 1.078 163 I CA 1.552 62.904 61.300 0.086 0.000 1.343 163 I CB -0.407 37.620 38.000 0.045 0.000 1.046 163 I HN 0.093 nan 8.210 nan 0.000 0.405 164 R N 0.953 121.454 120.500 0.002 0.000 2.073 164 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 164 R C -0.401 175.912 176.300 0.021 0.000 1.134 164 R CA 1.710 57.821 56.100 0.019 0.000 0.952 164 R CB -1.152 29.178 30.300 0.050 0.000 0.850 164 R HN 0.198 nan 8.270 nan 0.000 0.433 165 P HA -0.166 nan 4.420 nan 0.000 0.216 165 P C 1.135 178.323 177.300 -0.186 0.000 1.153 165 P CA 1.426 64.504 63.100 -0.038 0.000 0.858 165 P CB -0.045 31.682 31.700 0.045 0.000 0.789 166 I N -1.357 119.103 120.570 -0.184 0.000 2.142 166 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 166 I C 2.291 178.323 176.117 -0.143 0.000 1.078 166 I CA 1.445 62.605 61.300 -0.232 0.000 1.343 166 I CB -0.722 37.211 38.000 -0.112 0.000 1.046 166 I HN -0.108 nan 8.210 nan 0.000 0.405 167 L N -0.220 120.962 121.223 -0.068 0.000 2.127 167 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 167 L C 2.467 179.307 176.870 -0.050 0.000 1.089 167 L CA 1.017 55.831 54.840 -0.043 0.000 0.757 167 L CB -0.445 41.609 42.059 -0.009 0.000 0.899 167 L HN 0.340 nan 8.230 nan 0.000 0.434 168 M N -0.848 118.721 119.600 -0.052 0.000 2.562 168 M HA 0.100 4.580 4.480 -0.000 0.000 0.257 168 M C 1.657 177.907 176.300 -0.084 0.000 1.099 168 M CA 1.102 56.375 55.300 -0.045 0.000 1.099 168 M CB -0.745 31.848 32.600 -0.011 0.000 1.427 168 M HN 0.445 nan 8.290 nan 0.000 0.489 169 G N 1.494 110.211 108.800 -0.138 0.000 2.176 169 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.253 169 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.253 169 G C 0.126 174.900 174.900 -0.210 0.000 0.979 169 G CA 0.447 45.448 45.100 -0.166 0.000 0.641 169 G HN 0.662 nan 8.290 nan 0.000 0.530 170 S N -2.140 113.419 115.700 -0.234 0.000 2.543 170 S HA 0.490 4.960 4.470 -0.000 0.000 0.273 170 S C 0.290 174.780 174.600 -0.184 0.000 1.152 170 S CA -0.149 57.919 58.200 -0.220 0.000 0.910 170 S CB 0.558 63.713 63.200 -0.074 0.000 1.105 170 S HN 0.405 nan 8.310 nan 0.000 0.465 171 W N 1.779 123.066 121.300 -0.022 0.000 2.468 171 W HA -0.071 4.589 4.660 -0.000 0.000 0.262 171 W C 2.574 178.927 176.519 -0.276 0.000 1.241 171 W CA 0.793 58.069 57.345 -0.115 0.000 1.232 171 W CB -0.098 29.322 29.460 -0.068 0.000 1.124 171 W HN 0.938 nan 8.180 nan 0.000 0.597 172 S N -0.177 115.539 115.700 0.027 0.000 2.474 172 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 172 S C 1.417 176.036 174.600 0.032 0.000 0.997 172 S CA 1.040 59.222 58.200 -0.029 0.000 0.949 172 S CB -0.227 62.983 63.200 0.018 0.000 0.766 172 S HN 0.247 nan 8.310 nan 0.000 0.517 173 E N 1.469 121.717 120.200 0.079 0.000 2.435 173 E HA 0.319 4.669 4.350 -0.000 0.000 0.195 173 E C 1.083 177.876 176.600 0.322 0.000 1.029 173 E CA 0.472 57.001 56.400 0.216 0.000 0.865 173 E CB -0.129 29.672 29.700 0.168 0.000 0.833 173 E HN 0.720 nan 8.360 nan 0.000 0.510 174 A N 0.988 123.861 122.820 0.089 0.000 2.280 174 A HA 0.309 4.629 4.320 -0.000 0.000 0.268 174 A C 0.386 177.794 177.584 -0.293 0.000 1.111 174 A CA -0.426 51.585 52.037 -0.043 0.000 0.814 174 A CB 0.566 19.581 19.000 0.024 0.000 1.093 174 A HN -0.042 nan 8.150 nan 0.000 0.498 175 V N 2.291 121.862 119.914 -0.572 0.000 2.546 175 V HA 0.333 4.453 4.120 -0.000 0.000 0.284 175 V C -1.887 173.972 176.094 -0.393 0.000 1.050 175 V CA -1.178 60.552 62.300 -0.950 0.000 0.981 175 V CB 0.956 32.189 31.823 -0.983 0.000 0.990 175 V HN 0.853 nan 8.190 nan 0.000 0.474 176 P HA 0.206 nan 4.420 nan 0.000 0.274 176 P C -1.404 175.875 177.300 -0.035 0.000 1.237 176 P CA -0.378 62.707 63.100 -0.025 0.000 0.793 176 P CB 0.488 32.243 31.700 0.091 0.000 0.977 177 Y N 0.398 120.890 120.300 0.319 0.000 2.477 177 Y HA 0.583 5.133 4.550 -0.000 0.000 0.349 177 Y C 1.324 177.393 175.900 0.281 0.000 0.977 177 Y CA 0.546 58.768 58.100 0.203 0.000 1.214 177 Y CB 0.457 38.979 38.460 0.102 0.000 1.124 177 Y HN 0.594 nan 8.280 nan 0.000 0.521 178 G N 2.252 111.245 108.800 0.322 0.000 2.442 178 G HA2 0.272 4.232 3.960 -0.000 0.000 0.296 178 G HA3 0.272 4.232 3.960 -0.000 0.000 0.296 178 G C -0.229 174.771 174.900 0.167 0.000 1.564 178 G CA -0.780 44.512 45.100 0.320 0.000 0.828 178 G HN 0.284 nan 8.290 nan 0.000 0.571 179 I N 0.706 121.282 120.570 0.011 0.000 2.130 179 I HA 0.048 4.218 4.170 -0.000 0.000 0.234 179 I C 2.586 178.796 176.117 0.155 0.000 1.067 179 I CA 1.204 62.450 61.300 -0.089 0.000 1.339 179 I CB -1.000 36.602 38.000 -0.664 0.000 1.073 179 I HN 0.459 nan 8.210 nan 0.000 0.405 180 F N 2.070 121.959 119.950 -0.102 0.000 2.134 180 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 180 F C 3.057 178.867 175.800 0.016 0.000 1.097 180 F CA 1.290 59.227 58.000 -0.104 0.000 1.264 180 F CB -1.809 37.032 39.000 -0.265 0.000 1.001 180 F HN 0.195 nan 8.300 nan 0.000 0.479 181 S N -0.013 115.840 115.700 0.255 0.000 2.400 181 S HA -0.264 4.206 4.470 -0.000 0.000 0.232 181 S C 2.083 176.857 174.600 0.290 0.000 1.025 181 S CA 1.571 59.917 58.200 0.245 0.000 0.993 181 S CB -1.226 62.117 63.200 0.237 0.000 0.808 181 S HN 0.669 nan 8.310 nan 0.000 0.478 182 H N 1.967 121.134 119.070 0.161 0.000 2.470 182 H HA 0.181 4.737 4.556 -0.000 0.000 0.289 182 H C 1.936 177.398 175.328 0.225 0.000 1.033 182 H CA 1.085 57.229 56.048 0.160 0.000 1.331 182 H CB -0.595 29.207 29.762 0.066 0.000 1.414 182 H HN 0.445 nan 8.280 nan 0.000 0.545 183 L N 0.799 121.919 121.223 -0.172 0.000 2.027 183 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 183 L C 2.321 179.203 176.870 0.019 0.000 1.074 183 L CA 1.414 56.165 54.840 -0.148 0.000 0.745 183 L CB -0.391 41.609 42.059 -0.098 0.000 0.898 183 L HN 0.149 nan 8.230 nan 0.000 0.433 184 D N -0.615 119.833 120.400 0.079 0.000 2.123 184 D HA -0.247 4.393 4.640 -0.000 0.000 0.196 184 D C 1.715 178.100 176.300 0.142 0.000 0.992 184 D CA 1.205 55.256 54.000 0.086 0.000 0.833 184 D CB -0.328 40.532 40.800 0.100 0.000 0.954 184 D HN 0.405 nan 8.370 nan 0.000 0.455 185 W N 1.692 123.017 121.300 0.042 0.000 2.335 185 W HA -0.243 4.417 4.660 -0.000 0.000 0.311 185 W C 2.308 178.881 176.519 0.090 0.000 1.213 185 W CA 2.413 59.804 57.345 0.076 0.000 1.274 185 W CB -0.481 29.033 29.460 0.090 0.000 1.148 185 W HN -0.134 nan 8.180 nan 0.000 0.498 186 T N 0.421 115.194 114.554 0.364 0.000 2.684 186 T HA -0.316 4.034 4.350 -0.000 0.000 0.267 186 T C 1.419 176.130 174.700 0.018 0.000 1.036 186 T CA 1.819 64.032 62.100 0.189 0.000 1.148 186 T CB -0.772 68.184 68.868 0.147 0.000 0.863 186 T HN 0.262 nan 8.240 nan 0.000 0.436 187 N N 1.534 120.235 118.700 0.001 0.000 2.043 187 N HA -0.127 4.613 4.740 -0.000 0.000 0.193 187 N C 1.724 177.196 175.510 -0.063 0.000 1.037 187 N CA 1.530 54.557 53.050 -0.040 0.000 0.851 187 N CB -0.448 38.017 38.487 -0.038 0.000 1.027 187 N HN 0.158 nan 8.380 nan 0.000 0.422 188 N N -0.169 118.482 118.700 -0.082 0.000 2.069 188 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 188 N C 1.480 176.883 175.510 -0.178 0.000 1.031 188 N CA 0.800 53.771 53.050 -0.132 0.000 0.852 188 N CB -0.772 37.628 38.487 -0.146 0.000 1.018 188 N HN 0.311 nan 8.380 nan 0.000 0.423 189 F N 1.283 120.966 119.950 -0.446 0.000 2.115 189 F HA -0.254 4.273 4.527 -0.000 0.000 0.300 189 F C 2.691 178.457 175.800 -0.057 0.000 1.092 189 F CA 1.682 59.454 58.000 -0.379 0.000 1.245 189 F CB -0.477 38.087 39.000 -0.726 0.000 0.995 189 F HN 0.013 nan 8.300 nan 0.000 0.481 190 S N -0.061 115.696 115.700 0.096 0.000 2.368 190 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 190 S C 2.125 176.710 174.600 -0.026 0.000 1.029 190 S CA 1.317 59.538 58.200 0.034 0.000 0.988 190 S CB -0.478 62.666 63.200 -0.094 0.000 0.838 190 S HN 0.424 nan 8.310 nan 0.000 0.462 191 L N 0.898 122.076 121.223 -0.075 0.000 2.017 191 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 191 L C 2.494 179.293 176.870 -0.119 0.000 1.073 191 L CA 1.087 55.876 54.840 -0.084 0.000 0.745 191 L CB -0.592 41.412 42.059 -0.091 0.000 0.894 191 L HN 0.222 nan 8.230 nan 0.000 0.432 192 V N -1.103 118.684 119.914 -0.211 0.000 2.809 192 V HA -0.237 3.883 4.120 -0.000 0.000 0.256 192 V C 1.214 176.999 176.094 -0.514 0.000 1.080 192 V CA 1.442 63.528 62.300 -0.357 0.000 1.102 192 V CB -0.783 30.776 31.823 -0.440 0.000 0.705 192 V HN 0.474 nan 8.190 nan 0.000 0.475 193 H N -0.515 118.428 119.070 -0.211 0.000 2.507 193 H HA 0.439 4.995 4.556 -0.000 0.000 0.294 193 H C 1.512 176.890 175.328 0.084 0.000 1.064 193 H CA 0.511 56.488 56.048 -0.119 0.000 1.138 193 H CB 0.153 29.820 29.762 -0.158 0.000 1.515 193 H HN 0.362 nan 8.280 nan 0.000 0.547 194 G N 1.435 110.305 108.800 0.116 0.000 2.143 194 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.248 194 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.248 194 G C -0.285 174.823 174.900 0.348 0.000 0.991 194 G CA 0.119 45.342 45.100 0.205 0.000 0.689 194 G HN 0.623 nan 8.290 nan 0.000 0.522 195 N N -2.351 116.494 118.700 0.242 0.000 4.028 195 N HA -0.121 4.619 4.740 -0.000 0.000 0.278 195 N C 0.664 176.252 175.510 0.129 0.000 2.141 195 N CA 0.675 53.814 53.050 0.148 0.000 2.619 195 N CB -1.120 37.494 38.487 0.212 0.000 0.444 195 N HN 0.510 nan 8.380 nan 0.000 0.549 196 L N 4.124 125.252 121.223 -0.160 0.000 2.376 196 L HA 0.195 4.535 4.340 -0.000 0.000 0.219 196 L C 1.760 178.422 176.870 -0.348 0.000 1.133 196 L CA 1.055 55.698 54.840 -0.328 0.000 0.816 196 L CB -0.503 41.206 42.059 -0.584 0.000 0.933 196 L HN 0.616 nan 8.230 nan 0.000 0.449 197 F N -1.655 118.123 119.950 -0.287 0.000 2.373 197 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 197 F C 1.690 177.367 175.800 -0.205 0.000 1.080 197 F CA 0.686 58.550 58.000 -0.226 0.000 1.417 197 F CB -1.054 37.761 39.000 -0.308 0.000 1.070 197 F HN 0.159 nan 8.300 nan 0.000 0.546 198 Y N -1.343 119.113 120.300 0.260 0.000 2.466 198 Y HA 0.097 4.647 4.550 -0.000 0.000 0.272 198 Y C 1.012 177.030 175.900 0.198 0.000 1.169 198 Y CA -0.533 57.751 58.100 0.307 0.000 1.285 198 Y CB -0.586 38.146 38.460 0.453 0.000 1.078 198 Y HN -0.152 nan 8.280 nan 0.000 0.523 199 N N 2.514 121.161 118.700 -0.088 0.000 2.408 199 N HA 0.062 4.802 4.740 -0.000 0.000 0.257 199 N C -1.848 173.460 175.510 -0.337 0.000 1.064 199 N CA -2.099 50.487 53.050 -0.772 0.000 0.952 199 N CB 1.385 39.073 38.487 -1.332 0.000 1.093 199 N HN -0.011 nan 8.380 nan 0.000 0.490 200 P HA -0.097 nan 4.420 nan 0.000 0.218 200 P C 1.135 178.269 177.300 -0.278 0.000 1.149 200 P CA 1.115 64.100 63.100 -0.192 0.000 0.817 200 P CB 0.026 31.620 31.700 -0.177 0.000 0.785 201 F N -0.666 119.182 119.950 -0.170 0.000 2.234 201 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 201 F C 2.855 178.636 175.800 -0.032 0.000 1.087 201 F CA 1.184 59.143 58.000 -0.069 0.000 1.340 201 F CB -1.338 37.621 39.000 -0.068 0.000 1.031 201 F HN 0.106 nan 8.300 nan 0.000 0.500 202 H N 0.004 119.056 119.070 -0.031 0.000 2.357 202 H HA -0.077 4.479 4.556 -0.000 0.000 0.301 202 H C 2.411 177.725 175.328 -0.024 0.000 1.082 202 H CA 1.485 57.517 56.048 -0.027 0.000 1.342 202 H CB -0.473 29.241 29.762 -0.081 0.000 1.389 202 H HN 0.323 nan 8.280 nan 0.000 0.511 203 G N 1.203 110.006 108.800 0.005 0.000 2.446 203 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 203 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 203 G C 2.051 176.850 174.900 -0.167 0.000 1.168 203 G CA 0.737 45.787 45.100 -0.083 0.000 0.771 203 G HN 0.343 nan 8.290 nan 0.000 0.551 204 L N 0.457 121.611 121.223 -0.114 0.000 2.012 204 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 204 L C 3.124 179.958 176.870 -0.060 0.000 1.073 204 L CA 1.399 56.167 54.840 -0.120 0.000 0.748 204 L CB -0.459 41.652 42.059 0.088 0.000 0.891 204 L HN 0.342 nan 8.230 nan 0.000 0.431 205 S N 0.067 115.795 115.700 0.046 0.000 2.368 205 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 205 S C 1.978 176.533 174.600 -0.075 0.000 1.030 205 S CA 1.180 59.441 58.200 0.101 0.000 0.999 205 S CB -0.237 62.986 63.200 0.037 0.000 0.844 205 S HN 0.279 nan 8.310 nan 0.000 0.459 206 I N 1.583 121.976 120.570 -0.296 0.000 2.208 206 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 206 I C 2.752 178.552 176.117 -0.528 0.000 1.097 206 I CA 1.177 62.177 61.300 -0.499 0.000 1.363 206 I CB -0.560 37.072 38.000 -0.614 0.000 1.051 206 I HN 0.372 nan 8.210 nan 0.000 0.413 207 A N 0.906 123.472 122.820 -0.423 0.000 1.883 207 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 207 A C 2.029 179.433 177.584 -0.299 0.000 1.186 207 A CA 1.746 53.543 52.037 -0.401 0.000 0.624 207 A CB -0.983 17.688 19.000 -0.549 0.000 0.822 207 A HN 0.353 nan 8.150 nan 0.000 0.444 208 F N -0.924 119.026 119.950 -0.000 0.000 2.234 208 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 208 F C 1.970 177.813 175.800 0.071 0.000 1.087 208 F CA 0.922 58.959 58.000 0.061 0.000 1.340 208 F CB -0.671 38.381 39.000 0.087 0.000 1.031 208 F HN 0.236 nan 8.300 nan 0.000 0.500 209 L N -0.998 120.320 121.223 0.157 0.000 2.044 209 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 209 L C 2.234 179.248 176.870 0.240 0.000 1.075 209 L CA 1.823 56.757 54.840 0.157 0.000 0.747 209 L CB -1.074 41.026 42.059 0.069 0.000 0.903 209 L HN 0.025 nan 8.230 nan 0.000 0.435 210 Y N 0.199 120.541 120.300 0.070 0.000 2.181 210 Y HA -0.060 4.490 4.550 -0.000 0.000 0.288 210 Y C 2.579 178.521 175.900 0.070 0.000 1.146 210 Y CA 0.821 58.953 58.100 0.054 0.000 1.164 210 Y CB -1.619 36.850 38.460 0.015 0.000 0.982 210 Y HN 0.263 nan 8.280 nan 0.000 0.515 211 G N -1.152 107.792 108.800 0.240 0.000 2.422 211 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.218 211 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.218 211 G C 1.964 176.977 174.900 0.187 0.000 1.146 211 G CA 1.146 46.357 45.100 0.185 0.000 0.769 211 G HN 0.382 nan 8.290 nan 0.000 0.547 212 S N 0.970 116.800 115.700 0.217 0.000 2.383 212 S HA -0.039 4.431 4.470 -0.000 0.000 0.229 212 S C 2.753 177.481 174.600 0.213 0.000 1.030 212 S CA 1.230 59.549 58.200 0.198 0.000 1.002 212 S CB -0.305 63.015 63.200 0.200 0.000 0.829 212 S HN 0.591 nan 8.310 nan 0.000 0.467 213 A N 1.346 124.289 122.820 0.205 0.000 1.872 213 A HA 0.020 4.340 4.320 -0.000 0.000 0.214 213 A C 2.096 179.772 177.584 0.153 0.000 1.187 213 A CA 1.219 53.365 52.037 0.183 0.000 0.614 213 A CB -0.749 18.338 19.000 0.145 0.000 0.826 213 A HN 0.410 nan 8.150 nan 0.000 0.442 214 L N -0.643 120.655 121.223 0.124 0.000 1.990 214 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 214 L C 2.232 179.148 176.870 0.077 0.000 1.072 214 L CA 2.291 57.181 54.840 0.085 0.000 0.755 214 L CB -0.644 41.453 42.059 0.063 0.000 0.889 214 L HN 0.337 nan 8.230 nan 0.000 0.432 215 L N -1.819 119.452 121.223 0.081 0.000 2.072 215 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 215 L C 2.205 179.171 176.870 0.159 0.000 1.079 215 L CA 1.636 56.495 54.840 0.033 0.000 0.752 215 L CB -0.902 41.161 42.059 0.006 0.000 0.906 215 L HN 0.297 nan 8.230 nan 0.000 0.436 216 F N 0.046 120.035 119.950 0.065 0.000 2.293 216 F HA 0.113 4.640 4.527 -0.000 0.000 0.297 216 F C 2.359 178.206 175.800 0.078 0.000 1.089 216 F CA 0.517 58.575 58.000 0.097 0.000 1.377 216 F CB -0.886 38.174 39.000 0.099 0.000 1.051 216 F HN 0.176 nan 8.300 nan 0.000 0.511 217 A N 0.043 123.007 122.820 0.241 0.000 1.902 217 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 217 A C 2.331 179.999 177.584 0.139 0.000 1.181 217 A CA 1.795 53.905 52.037 0.122 0.000 0.623 217 A CB -0.671 18.382 19.000 0.087 0.000 0.818 217 A HN 0.368 nan 8.150 nan 0.000 0.443 218 M N -1.982 117.711 119.600 0.155 0.000 2.067 218 M HA -0.155 4.325 4.480 -0.000 0.000 0.260 218 M C 2.318 178.746 176.300 0.213 0.000 1.069 218 M CA 2.114 57.524 55.300 0.182 0.000 1.117 218 M CB -0.486 32.065 32.600 -0.082 0.000 1.334 218 M HN 0.709 nan 8.290 nan 0.000 0.407 219 H N -0.196 118.928 119.070 0.089 0.000 2.326 219 H HA -0.009 4.547 4.556 -0.000 0.000 0.301 219 H C 1.953 177.371 175.328 0.149 0.000 1.081 219 H CA 2.104 58.208 56.048 0.093 0.000 1.334 219 H CB -0.586 29.207 29.762 0.052 0.000 1.385 219 H HN 0.301 nan 8.280 nan 0.000 0.504 220 G N 0.003 108.858 108.800 0.090 0.000 2.418 220 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 220 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 220 G C 1.925 176.760 174.900 -0.109 0.000 1.158 220 G CA 0.982 46.035 45.100 -0.078 0.000 0.771 220 G HN 0.616 nan 8.290 nan 0.000 0.545 221 A N 0.208 123.000 122.820 -0.048 0.000 1.933 221 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 221 A C 2.527 180.048 177.584 -0.105 0.000 1.175 221 A CA 2.477 54.469 52.037 -0.075 0.000 0.628 221 A CB -0.891 18.086 19.000 -0.037 0.000 0.814 221 A HN 0.308 nan 8.150 nan 0.000 0.444 222 T N 0.397 114.919 114.554 -0.053 0.000 2.701 222 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 222 T C 1.818 176.472 174.700 -0.076 0.000 1.040 222 T CA 1.395 63.467 62.100 -0.046 0.000 1.147 222 T CB -0.270 68.707 68.868 0.183 0.000 0.865 222 T HN 0.293 nan 8.240 nan 0.000 0.426 223 I N 1.238 121.730 120.570 -0.131 0.000 2.226 223 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 223 I C 2.366 178.426 176.117 -0.094 0.000 1.100 223 I CA 1.244 62.475 61.300 -0.115 0.000 1.374 223 I CB -1.301 36.578 38.000 -0.202 0.000 1.057 223 I HN 0.270 nan 8.210 nan 0.000 0.413 224 L N 0.560 121.707 121.223 -0.128 0.000 2.017 224 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 224 L C 2.778 179.575 176.870 -0.122 0.000 1.073 224 L CA 1.382 56.140 54.840 -0.137 0.000 0.745 224 L CB -0.725 41.233 42.059 -0.169 0.000 0.894 224 L HN 0.184 nan 8.230 nan 0.000 0.432 225 A N -0.033 122.714 122.820 -0.120 0.000 2.024 225 A HA -0.150 4.169 4.320 -0.000 0.000 0.220 225 A C 1.835 179.410 177.584 -0.015 0.000 1.164 225 A CA 1.911 53.885 52.037 -0.105 0.000 0.643 225 A CB -0.643 18.253 19.000 -0.174 0.000 0.806 225 A HN 0.393 nan 8.150 nan 0.000 0.451 226 V N -2.123 117.812 119.914 0.034 0.000 3.121 226 V HA 0.172 4.292 4.120 -0.000 0.000 0.344 226 V C 1.457 177.624 176.094 0.122 0.000 1.390 226 V CA 0.777 63.202 62.300 0.209 0.000 1.177 226 V CB -0.708 31.254 31.823 0.231 0.000 1.163 226 V HN 0.531 nan 8.190 nan 0.000 0.484 227 S N 2.202 117.890 115.700 -0.019 0.000 2.423 227 S HA -0.219 4.251 4.470 -0.000 0.000 0.231 227 S C 1.961 176.496 174.600 -0.108 0.000 1.014 227 S CA 1.180 59.353 58.200 -0.044 0.000 0.965 227 S CB -0.686 62.473 63.200 -0.069 0.000 0.785 227 S HN 0.859 nan 8.310 nan 0.000 0.495 228 R N 0.619 120.960 120.500 -0.266 0.000 2.293 228 R HA 0.004 4.344 4.340 -0.000 0.000 0.219 228 R C 0.289 176.189 176.300 -0.667 0.000 1.091 228 R CA 1.135 56.947 56.100 -0.480 0.000 1.004 228 R CB -0.745 29.167 30.300 -0.647 0.000 0.865 228 R HN 0.577 nan 8.270 nan 0.000 0.469 229 F N 0.027 119.977 119.950 -0.001 0.000 2.735 229 F HA 0.477 5.004 4.527 -0.000 0.000 0.304 229 F C 1.090 176.892 175.800 0.004 0.000 1.119 229 F CA -0.288 57.713 58.000 0.002 0.000 1.280 229 F CB 1.160 40.159 39.000 -0.001 0.000 0.994 229 F HN 0.162 nan 8.300 nan 0.000 0.520 230 G N 0.617 109.475 108.800 0.097 0.000 2.147 230 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 230 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 230 G C 1.373 176.321 174.900 0.079 0.000 1.005 230 G CA 0.158 45.301 45.100 0.072 0.000 0.713 230 G HN 0.691 nan 8.290 nan 0.000 0.515 231 G N 0.977 109.835 108.800 0.097 0.000 2.450 231 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.220 231 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.220 231 G C 1.458 176.397 174.900 0.064 0.000 1.130 231 G CA 1.543 46.698 45.100 0.091 0.000 0.760 231 G HN 0.885 nan 8.290 nan 0.000 0.557 232 E N 0.984 121.206 120.200 0.036 0.000 2.478 232 E HA -0.066 4.283 4.350 -0.000 0.000 0.198 232 E C 0.938 177.559 176.600 0.036 0.000 1.046 232 E CA 0.002 56.419 56.400 0.028 0.000 0.870 232 E CB -0.208 29.490 29.700 -0.004 0.000 0.818 232 E HN 0.306 nan 8.360 nan 0.000 0.527 233 R N 1.631 122.153 120.500 0.036 0.000 3.710 233 R HA 0.132 4.472 4.340 -0.000 0.000 0.201 233 R C 0.793 177.114 176.300 0.035 0.000 1.641 233 R CA -0.016 56.101 56.100 0.028 0.000 1.390 233 R CB 0.107 30.422 30.300 0.025 0.000 1.341 233 R HN 0.260 nan 8.270 nan 0.000 0.728 234 E N 0.766 120.989 120.200 0.037 0.000 2.107 234 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 234 E C 1.346 177.956 176.600 0.017 0.000 0.982 234 E CA 0.936 57.369 56.400 0.056 0.000 0.809 234 E CB 0.091 29.837 29.700 0.077 0.000 0.756 234 E HN 0.464 nan 8.360 nan 0.000 0.459 235 L N 0.760 121.971 121.223 -0.019 0.000 2.083 235 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 235 L C 2.498 179.366 176.870 -0.004 0.000 1.083 235 L CA 1.120 55.943 54.840 -0.028 0.000 0.752 235 L CB -0.148 41.884 42.059 -0.044 0.000 0.899 235 L HN 0.075 nan 8.230 nan 0.000 0.433 236 E N -0.590 119.613 120.200 0.006 0.000 2.216 236 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 236 E C 2.225 178.839 176.600 0.023 0.000 0.988 236 E CA 0.648 57.056 56.400 0.012 0.000 0.834 236 E CB 0.135 29.843 29.700 0.013 0.000 0.772 236 E HN 0.299 nan 8.360 nan 0.000 0.479 237 Q N -0.121 119.699 119.800 0.034 0.000 2.224 237 Q HA -0.081 4.258 4.340 -0.000 0.000 0.203 237 Q C 2.225 178.251 176.000 0.044 0.000 0.970 237 Q CA 0.884 56.714 55.803 0.044 0.000 0.865 237 Q CB 0.018 28.794 28.738 0.063 0.000 0.922 237 Q HN 0.438 nan 8.270 nan 0.000 0.445 238 I N 0.470 121.064 120.570 0.040 0.000 2.202 238 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 238 I C 2.252 178.385 176.117 0.026 0.000 1.091 238 I CA 1.177 62.499 61.300 0.037 0.000 1.368 238 I CB -0.306 37.709 38.000 0.026 0.000 1.058 238 I HN 0.048 nan 8.210 nan 0.000 0.410 239 A N -0.985 121.846 122.820 0.018 0.000 2.066 239 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 239 A C 0.722 178.316 177.584 0.016 0.000 1.157 239 A CA 1.367 53.412 52.037 0.014 0.000 0.670 239 A CB -0.086 18.918 19.000 0.007 0.000 0.804 239 A HN 0.433 nan 8.150 nan 0.000 0.453 240 D N -1.238 119.174 120.400 0.020 0.000 2.826 240 D HA 0.096 4.736 4.640 -0.000 0.000 0.239 240 D C -0.465 175.849 176.300 0.022 0.000 1.329 240 D CA -0.423 53.588 54.000 0.019 0.000 0.854 240 D CB -0.097 40.713 40.800 0.017 0.000 1.494 240 D HN 0.224 nan 8.370 nan 0.000 0.540 241 R N 1.049 121.563 120.500 0.023 0.000 2.481 241 R HA 0.297 4.637 4.340 -0.000 0.000 0.291 241 R C 0.349 176.658 176.300 0.014 0.000 0.934 241 R CA 0.862 56.975 56.100 0.022 0.000 1.116 241 R CB 0.252 30.563 30.300 0.020 0.000 0.895 241 R HN 0.390 nan 8.270 nan 0.000 0.410 242 G N 0.794 109.602 108.800 0.014 0.000 2.735 242 G HA2 0.099 4.059 3.960 -0.000 0.000 0.301 242 G HA3 0.099 4.059 3.960 -0.000 0.000 0.301 242 G C 0.470 175.350 174.900 -0.035 0.000 1.279 242 G CA -0.365 44.738 45.100 0.005 0.000 1.019 242 G HN 0.566 nan 8.290 nan 0.000 0.497 243 T N -0.322 114.190 114.554 -0.069 0.000 2.929 243 T HA -0.052 4.298 4.350 -0.000 0.000 0.271 243 T C 2.536 177.058 174.700 -0.296 0.000 1.085 243 T CA 2.317 64.298 62.100 -0.197 0.000 1.125 243 T CB -0.504 68.199 68.868 -0.274 0.000 0.874 243 T HN 0.661 nan 8.240 nan 0.000 0.494 244 A N 1.197 123.939 122.820 -0.129 0.000 1.851 244 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 244 A C 2.738 180.305 177.584 -0.028 0.000 1.195 244 A CA 2.123 54.152 52.037 -0.013 0.000 0.622 244 A CB -1.435 17.650 19.000 0.142 0.000 0.831 244 A HN 0.638 nan 8.150 nan 0.000 0.444 245 A N -0.541 122.278 122.820 -0.002 0.000 1.933 245 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 245 A C 1.930 179.501 177.584 -0.021 0.000 1.175 245 A CA 1.655 53.703 52.037 0.018 0.000 0.628 245 A CB -0.497 18.526 19.000 0.039 0.000 0.814 245 A HN 0.673 nan 8.150 nan 0.000 0.444 246 E N -0.495 119.663 120.200 -0.070 0.000 2.072 246 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 246 E C 2.305 178.807 176.600 -0.162 0.000 0.982 246 E CA 0.948 57.289 56.400 -0.099 0.000 0.803 246 E CB -0.161 29.476 29.700 -0.105 0.000 0.755 246 E HN 0.547 nan 8.360 nan 0.000 0.453 247 R N 0.677 121.047 120.500 -0.218 0.000 2.096 247 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 247 R C 2.343 178.545 176.300 -0.164 0.000 1.127 247 R CA 1.047 56.994 56.100 -0.254 0.000 0.968 247 R CB -0.262 29.845 30.300 -0.323 0.000 0.861 247 R HN 0.094 nan 8.270 nan 0.000 0.440 248 A N 1.409 124.187 122.820 -0.070 0.000 1.858 248 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 248 A C 2.410 180.066 177.584 0.120 0.000 1.190 248 A CA 1.641 53.702 52.037 0.041 0.000 0.617 248 A CB -0.799 18.254 19.000 0.088 0.000 0.827 248 A HN 0.375 nan 8.150 nan 0.000 0.443 249 A N -0.497 122.354 122.820 0.050 0.000 1.908 249 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 249 A C 2.165 179.714 177.584 -0.059 0.000 1.181 249 A CA 1.687 53.754 52.037 0.050 0.000 0.627 249 A CB -0.575 18.431 19.000 0.010 0.000 0.818 249 A HN 0.478 nan 8.150 nan 0.000 0.445 250 L N -2.334 118.731 121.223 -0.265 0.000 2.270 250 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 250 L C 2.329 178.719 176.870 -0.800 0.000 1.104 250 L CA 0.679 55.123 54.840 -0.660 0.000 0.804 250 L CB -0.363 41.135 42.059 -0.934 0.000 0.937 250 L HN 0.516 nan 8.230 nan 0.000 0.450 251 F N 0.183 119.774 119.950 -0.597 0.000 2.091 251 F HA -0.278 4.249 4.527 -0.000 0.000 0.299 251 F C 1.919 177.421 175.800 -0.497 0.000 1.103 251 F CA 1.822 59.485 58.000 -0.562 0.000 1.228 251 F CB -0.366 38.252 39.000 -0.637 0.000 0.984 251 F HN -0.004 nan 8.300 nan 0.000 0.477 252 W N 0.283 121.559 121.300 -0.040 0.000 2.436 252 W HA 0.016 4.675 4.660 -0.000 0.000 0.284 252 W C 2.782 179.179 176.519 -0.203 0.000 1.225 252 W CA 1.010 58.287 57.345 -0.114 0.000 1.271 252 W CB -0.428 28.977 29.460 -0.092 0.000 1.114 252 W HN -0.114 nan 8.180 nan 0.000 0.559 253 R N -0.262 120.246 120.500 0.012 0.000 2.073 253 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 253 R C 1.933 178.345 176.300 0.186 0.000 1.134 253 R CA 2.031 58.176 56.100 0.075 0.000 0.952 253 R CB -0.676 29.656 30.300 0.054 0.000 0.850 253 R HN 0.105 nan 8.270 nan 0.000 0.433 254 W N 0.390 121.611 121.300 -0.132 0.000 2.402 254 W HA -0.012 4.648 4.660 -0.000 0.000 0.286 254 W C 2.132 178.513 176.519 -0.231 0.000 1.221 254 W CA 1.020 58.260 57.345 -0.175 0.000 1.257 254 W CB -1.101 28.227 29.460 -0.220 0.000 1.120 254 W HN 0.140 nan 8.180 nan 0.000 0.551 255 T N 0.800 115.265 114.554 -0.148 0.000 2.698 255 T HA -0.134 4.216 4.350 -0.000 0.000 0.260 255 T C 1.706 176.415 174.700 0.015 0.000 1.044 255 T CA 1.979 63.964 62.100 -0.192 0.000 1.149 255 T CB -0.351 68.216 68.868 -0.502 0.000 0.864 255 T HN 0.217 nan 8.240 nan 0.000 0.419 256 M N -0.754 118.903 119.600 0.095 0.000 2.306 256 M HA 0.593 5.073 4.480 -0.000 0.000 0.292 256 M C 1.308 177.762 176.300 0.257 0.000 1.018 256 M CA 0.325 55.727 55.300 0.171 0.000 1.007 256 M CB 0.992 33.703 32.600 0.185 0.000 1.510 256 M HN 0.325 nan 8.290 nan 0.000 0.537 257 G N 2.112 111.041 108.800 0.214 0.000 2.176 257 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.253 257 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.253 257 G C -0.214 174.918 174.900 0.387 0.000 0.979 257 G CA 0.515 45.776 45.100 0.267 0.000 0.641 257 G HN 0.829 nan 8.290 nan 0.000 0.530 258 F N -0.363 119.648 119.950 0.102 0.000 2.745 258 F HA 0.791 5.318 4.527 -0.000 0.000 0.316 258 F C -0.769 175.093 175.800 0.103 0.000 1.155 258 F CA -1.336 56.719 58.000 0.091 0.000 0.937 258 F CB 0.748 39.791 39.000 0.071 0.000 1.361 258 F HN 0.430 nan 8.300 nan 0.000 0.472 259 N N 0.899 119.591 118.700 -0.014 0.000 3.106 259 N HA 0.716 5.456 4.740 -0.000 0.000 0.253 259 N C -1.916 173.618 175.510 0.041 0.000 1.506 259 N CA -0.655 52.339 53.050 -0.093 0.000 0.876 259 N CB 1.801 40.309 38.487 0.035 0.000 1.452 259 N HN 1.104 nan 8.380 nan 0.000 0.542 260 A N -0.145 122.688 122.820 0.022 0.000 2.312 260 A HA 0.809 5.129 4.320 -0.000 0.000 0.310 260 A C 0.126 177.775 177.584 0.107 0.000 1.139 260 A CA -0.200 51.902 52.037 0.108 0.000 0.886 260 A CB 0.727 19.750 19.000 0.038 0.000 1.350 260 A HN 0.857 nan 8.150 nan 0.000 0.479 261 T N -3.176 111.451 114.554 0.122 0.000 2.938 261 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 261 T C 0.890 175.655 174.700 0.109 0.000 1.028 261 T CA -0.115 62.047 62.100 0.103 0.000 1.005 261 T CB 0.890 69.816 68.868 0.097 0.000 1.157 261 T HN 0.435 nan 8.240 nan 0.000 0.550 262 M N 0.259 119.930 119.600 0.119 0.000 2.175 262 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 262 M C 2.173 178.617 176.300 0.239 0.000 1.063 262 M CA 1.671 57.072 55.300 0.170 0.000 1.119 262 M CB -0.815 31.875 32.600 0.149 0.000 1.377 262 M HN 0.904 nan 8.290 nan 0.000 0.415 263 E N -1.315 118.987 120.200 0.171 0.000 2.076 263 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 263 E C 1.888 178.599 176.600 0.185 0.000 0.979 263 E CA 1.134 57.639 56.400 0.176 0.000 0.807 263 E CB -0.422 29.331 29.700 0.089 0.000 0.761 263 E HN 0.594 nan 8.360 nan 0.000 0.454 264 G N 1.093 109.972 108.800 0.132 0.000 2.448 264 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 264 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 264 G C 1.480 176.468 174.900 0.147 0.000 1.135 264 G CA 0.416 45.585 45.100 0.115 0.000 0.784 264 G HN 0.306 nan 8.290 nan 0.000 0.543 265 I N 0.750 121.362 120.570 0.069 0.000 2.454 265 I HA -0.098 4.072 4.170 -0.000 0.000 0.254 265 I C 2.187 178.142 176.117 -0.270 0.000 1.156 265 I CA 0.971 62.221 61.300 -0.082 0.000 1.433 265 I CB -0.316 37.474 38.000 -0.351 0.000 1.082 265 I HN 0.278 nan 8.210 nan 0.000 0.432 266 H N -0.552 118.485 119.070 -0.054 0.000 2.502 266 H HA 0.107 4.663 4.556 -0.000 0.000 0.283 266 H C 2.213 177.530 175.328 -0.019 0.000 1.015 266 H CA 0.870 56.863 56.048 -0.090 0.000 1.298 266 H CB -0.031 29.677 29.762 -0.091 0.000 1.411 266 H HN 0.280 nan 8.280 nan 0.000 0.556 267 R N -0.482 120.083 120.500 0.107 0.000 2.062 267 R HA -0.089 4.251 4.340 -0.000 0.000 0.226 267 R C 1.539 177.945 176.300 0.178 0.000 1.125 267 R CA 1.122 57.301 56.100 0.132 0.000 0.966 267 R CB -0.352 29.993 30.300 0.076 0.000 0.861 267 R HN 0.355 nan 8.270 nan 0.000 0.433 268 W N 1.398 122.749 121.300 0.084 0.000 2.304 268 W HA -0.253 4.407 4.660 -0.000 0.000 0.315 268 W C 2.595 179.129 176.519 0.024 0.000 1.233 268 W CA 1.369 58.749 57.345 0.058 0.000 1.261 268 W CB -0.366 29.074 29.460 -0.033 0.000 1.150 268 W HN 0.212 nan 8.180 nan 0.000 0.494 269 A N 0.083 122.990 122.820 0.145 0.000 1.845 269 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 269 A C 1.920 179.500 177.584 -0.005 0.000 1.195 269 A CA 1.753 53.776 52.037 -0.024 0.000 0.616 269 A CB -1.110 17.757 19.000 -0.222 0.000 0.832 269 A HN 0.344 nan 8.150 nan 0.000 0.443 270 I N -2.037 118.517 120.570 -0.026 0.000 2.264 270 I HA -0.279 3.890 4.170 -0.000 0.000 0.248 270 I C 2.275 178.280 176.117 -0.186 0.000 1.111 270 I CA 1.519 62.737 61.300 -0.136 0.000 1.382 270 I CB -0.095 37.782 38.000 -0.205 0.000 1.060 270 I HN 0.616 nan 8.210 nan 0.000 0.418 271 W N -0.221 121.077 121.300 -0.003 0.000 2.409 271 W HA -0.176 4.484 4.660 -0.000 0.000 0.299 271 W C 2.444 178.920 176.519 -0.073 0.000 1.203 271 W CA 0.823 58.139 57.345 -0.048 0.000 1.298 271 W CB -0.378 29.036 29.460 -0.076 0.000 1.127 271 W HN 0.135 nan 8.180 nan 0.000 0.528 272 M N 1.164 120.913 119.600 0.248 0.000 2.082 272 M HA -0.176 4.304 4.480 -0.000 0.000 0.258 272 M C 2.103 178.486 176.300 0.137 0.000 1.069 272 M CA 2.502 57.941 55.300 0.232 0.000 1.102 272 M CB -0.937 31.823 32.600 0.266 0.000 1.336 272 M HN -0.032 nan 8.290 nan 0.000 0.404 273 A N -1.119 121.753 122.820 0.086 0.000 1.855 273 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 273 A C 2.203 179.812 177.584 0.042 0.000 1.191 273 A CA 1.988 54.067 52.037 0.069 0.000 0.613 273 A CB -1.342 17.676 19.000 0.030 0.000 0.829 273 A HN 0.373 nan 8.150 nan 0.000 0.442 274 V N 0.063 119.965 119.914 -0.019 0.000 2.594 274 V HA -0.213 3.907 4.120 -0.000 0.000 0.253 274 V C 2.410 178.501 176.094 -0.004 0.000 1.069 274 V CA 1.799 64.079 62.300 -0.033 0.000 1.082 274 V CB -0.574 31.125 31.823 -0.206 0.000 0.680 274 V HN 0.544 nan 8.190 nan 0.000 0.469 275 L N -1.085 120.082 121.223 -0.095 0.000 2.395 275 L HA -0.064 4.276 4.340 -0.000 0.000 0.218 275 L C 2.276 179.102 176.870 -0.073 0.000 1.130 275 L CA 0.305 54.985 54.840 -0.266 0.000 0.826 275 L CB -0.374 41.056 42.059 -1.050 0.000 0.941 275 L HN 0.194 nan 8.230 nan 0.000 0.451 276 V N 0.147 120.109 119.914 0.080 0.000 2.219 276 V HA -0.356 3.763 4.120 -0.000 0.000 0.248 276 V C 2.620 178.826 176.094 0.187 0.000 1.053 276 V CA 2.725 65.147 62.300 0.205 0.000 1.009 276 V CB -1.122 30.808 31.823 0.178 0.000 0.636 276 V HN 0.668 nan 8.190 nan 0.000 0.445 277 T N -2.291 112.367 114.554 0.174 0.000 3.043 277 T HA 0.008 4.358 4.350 -0.000 0.000 0.263 277 T C 1.763 176.656 174.700 0.321 0.000 1.094 277 T CA 0.828 63.053 62.100 0.209 0.000 1.127 277 T CB -0.115 68.874 68.868 0.202 0.000 0.905 277 T HN 0.206 nan 8.240 nan 0.000 0.490 278 L N 2.682 124.075 121.223 0.283 0.000 1.988 278 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 278 L C 2.983 180.060 176.870 0.345 0.000 1.071 278 L CA 2.398 57.429 54.840 0.318 0.000 0.744 278 L CB -1.103 41.035 42.059 0.132 0.000 0.893 278 L HN 0.530 nan 8.230 nan 0.000 0.433 279 T N -3.711 111.016 114.554 0.287 0.000 2.746 279 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 279 T C 1.980 176.851 174.700 0.285 0.000 1.039 279 T CA 0.963 63.282 62.100 0.366 0.000 1.142 279 T CB -1.470 67.689 68.868 0.485 0.000 0.866 279 T HN 0.369 nan 8.240 nan 0.000 0.444 280 G N 1.295 110.236 108.800 0.234 0.000 2.440 280 G HA2 0.025 3.985 3.960 -0.000 0.000 0.218 280 G HA3 0.025 3.985 3.960 -0.000 0.000 0.218 280 G C 1.739 176.678 174.900 0.065 0.000 1.154 280 G CA 0.738 45.924 45.100 0.144 0.000 0.767 280 G HN 0.687 nan 8.290 nan 0.000 0.552 281 G N 0.764 109.608 108.800 0.072 0.000 2.408 281 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 281 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 281 G C 1.761 176.593 174.900 -0.113 0.000 1.150 281 G CA 0.741 45.702 45.100 -0.231 0.000 0.776 281 G HN 0.453 nan 8.290 nan 0.000 0.542 282 I N 1.206 121.837 120.570 0.101 0.000 2.163 282 I HA -0.054 4.116 4.170 -0.000 0.000 0.240 282 I C 3.123 179.098 176.117 -0.237 0.000 1.081 282 I CA 1.040 62.262 61.300 -0.131 0.000 1.353 282 I CB -0.525 37.143 38.000 -0.554 0.000 1.054 282 I HN 0.221 nan 8.210 nan 0.000 0.407 283 G N 1.541 110.233 108.800 -0.181 0.000 2.476 283 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 283 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 283 G C 1.562 176.495 174.900 0.056 0.000 1.164 283 G CA 0.802 45.887 45.100 -0.026 0.000 0.768 283 G HN 0.211 nan 8.290 nan 0.000 0.560 284 I N 0.328 120.907 120.570 0.016 0.000 2.286 284 I HA -0.018 4.152 4.170 -0.000 0.000 0.245 284 I C 2.608 178.759 176.117 0.058 0.000 1.104 284 I CA 0.524 61.847 61.300 0.039 0.000 1.397 284 I CB -1.186 36.749 38.000 -0.108 0.000 1.072 284 I HN 0.135 nan 8.210 nan 0.000 0.417 285 L N 0.923 122.123 121.223 -0.038 0.000 2.083 285 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 285 L C 2.225 179.121 176.870 0.044 0.000 1.083 285 L CA 1.750 56.574 54.840 -0.027 0.000 0.752 285 L CB -0.617 41.408 42.059 -0.056 0.000 0.899 285 L HN 0.134 nan 8.230 nan 0.000 0.433 286 L N -1.255 120.020 121.223 0.085 0.000 2.478 286 L HA 0.015 4.355 4.340 -0.000 0.000 0.223 286 L C 0.834 177.771 176.870 0.113 0.000 1.140 286 L CA -0.055 54.853 54.840 0.113 0.000 0.842 286 L CB -0.395 41.781 42.059 0.194 0.000 0.953 286 L HN 0.043 nan 8.230 nan 0.000 0.452 287 S N 0.246 116.052 115.700 0.176 0.000 2.448 287 S HA 0.404 4.874 4.470 -0.000 0.000 0.279 287 S C 1.122 175.663 174.600 -0.098 0.000 1.195 287 S CA 0.323 58.549 58.200 0.044 0.000 1.051 287 S CB 1.022 64.245 63.200 0.038 0.000 0.948 287 S HN 0.538 nan 8.310 nan 0.000 0.493 288 G N 3.074 111.872 108.800 -0.004 0.000 2.267 288 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 288 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 288 G C 1.001 175.913 174.900 0.021 0.000 0.998 288 G CA 0.944 46.105 45.100 0.101 0.000 0.620 288 G HN 0.804 nan 8.290 nan 0.000 0.529 289 T N -2.669 111.886 114.554 0.002 0.000 2.953 289 T HA 0.386 4.736 4.350 -0.000 0.000 0.247 289 T C 2.050 176.736 174.700 -0.024 0.000 1.029 289 T CA 1.876 63.974 62.100 -0.003 0.000 1.144 289 T CB 0.182 69.056 68.868 0.010 0.000 0.870 289 T HN 0.584 nan 8.240 nan 0.000 0.446 290 V N 0.251 120.135 119.914 -0.049 0.000 3.359 290 V HA 0.383 4.503 4.120 -0.000 0.000 0.245 290 V C 0.118 176.126 176.094 -0.144 0.000 1.247 290 V CA -0.041 62.219 62.300 -0.066 0.000 1.145 290 V CB 1.204 32.999 31.823 -0.046 0.000 0.906 290 V HN 0.338 nan 8.190 nan 0.000 0.464 291 V N 0.881 120.630 119.914 -0.275 0.000 2.482 291 V HA 0.428 4.548 4.120 -0.000 0.000 0.295 291 V C -0.028 175.835 176.094 -0.386 0.000 1.026 291 V CA -0.435 61.573 62.300 -0.487 0.000 0.856 291 V CB 1.665 32.744 31.823 -1.240 0.000 1.001 291 V HN 0.220 nan 8.190 nan 0.000 0.424 292 D N 2.144 122.407 120.400 -0.229 0.000 2.305 292 D HA 0.052 4.692 4.640 -0.000 0.000 0.206 292 D C 0.629 176.840 176.300 -0.148 0.000 0.974 292 D CA 0.970 54.889 54.000 -0.136 0.000 0.871 292 D CB 0.364 41.096 40.800 -0.113 0.000 0.947 292 D HN 0.483 nan 8.370 nan 0.000 0.516 293 N N -0.506 118.075 118.700 -0.199 0.000 2.549 293 N HA 0.011 4.751 4.740 -0.000 0.000 0.290 293 N C -0.308 175.197 175.510 -0.009 0.000 1.122 293 N CA -0.406 52.608 53.050 -0.059 0.000 0.885 293 N CB 0.477 38.970 38.487 0.009 0.000 1.455 293 N HN -0.119 nan 8.380 nan 0.000 0.521 294 W N 1.898 123.337 121.300 0.231 0.000 2.467 294 W HA -0.067 4.593 4.660 -0.000 0.000 0.275 294 W C 1.769 178.491 176.519 0.339 0.000 1.239 294 W CA 0.356 57.888 57.345 0.311 0.000 1.266 294 W CB -0.197 29.438 29.460 0.292 0.000 1.112 294 W HN 0.667 nan 8.180 nan 0.000 0.576 295 Y N 0.713 121.148 120.300 0.225 0.000 2.145 295 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 295 Y C 2.204 178.054 175.900 -0.083 0.000 1.145 295 Y CA 1.946 59.880 58.100 -0.277 0.000 1.148 295 Y CB -0.908 37.312 38.460 -0.401 0.000 0.981 295 Y HN -0.216 nan 8.280 nan 0.000 0.507 296 V N -0.550 119.332 119.914 -0.054 0.000 2.295 296 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 296 V C 2.131 178.196 176.094 -0.048 0.000 1.049 296 V CA 2.058 64.282 62.300 -0.127 0.000 1.024 296 V CB -1.170 30.649 31.823 -0.006 0.000 0.648 296 V HN 0.710 nan 8.190 nan 0.000 0.447 297 W N 1.350 122.619 121.300 -0.052 0.000 2.317 297 W HA -0.170 4.490 4.660 -0.000 0.000 0.318 297 W C 2.394 179.004 176.519 0.153 0.000 1.227 297 W CA 2.278 59.672 57.345 0.080 0.000 1.269 297 W CB -0.908 28.575 29.460 0.039 0.000 1.155 297 W HN 0.264 nan 8.180 nan 0.000 0.484 298 G N -0.275 108.723 108.800 0.331 0.000 2.503 298 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.221 298 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.221 298 G C 1.411 176.199 174.900 -0.187 0.000 1.131 298 G CA 1.214 46.382 45.100 0.113 0.000 0.756 298 G HN 0.325 nan 8.290 nan 0.000 0.572 299 Q N 0.247 119.863 119.800 -0.306 0.000 2.297 299 Q HA 0.008 4.348 4.340 -0.000 0.000 0.204 299 Q C 1.617 177.419 176.000 -0.331 0.000 0.962 299 Q CA 0.664 56.263 55.803 -0.339 0.000 0.879 299 Q CB -0.071 28.412 28.738 -0.426 0.000 0.947 299 Q HN 0.513 nan 8.270 nan 0.000 0.462 300 N N -0.331 118.102 118.700 -0.444 0.000 2.205 300 N HA 0.003 4.743 4.740 -0.000 0.000 0.201 300 N C -0.204 174.735 175.510 -0.952 0.000 1.128 300 N CA 0.215 52.886 53.050 -0.631 0.000 0.867 300 N CB 0.651 38.720 38.487 -0.697 0.000 0.996 300 N HN 0.235 nan 8.380 nan 0.000 0.503 301 H N -0.199 118.554 119.070 -0.528 0.000 2.947 301 H HA 0.256 4.811 4.556 -0.000 0.000 0.222 301 H C 0.917 176.003 175.328 -0.403 0.000 1.414 301 H CA -0.093 55.593 56.048 -0.602 0.000 1.224 301 H CB 0.412 29.404 29.762 -1.283 0.000 2.100 301 H HN 0.157 nan 8.280 nan 0.000 0.524 302 G N 0.000 108.699 108.800 -0.169 0.000 5.446 302 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 302 G CA 0.000 45.054 45.100 -0.077 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925