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 1pss_1_M DATA FIRST_RESID 6 DATA SEQUENCE IFSQVQVRGP ADLGMTEDVN LANRSGVGPF STLLGWFGNA QLGPIYLGSL DATA SEQUENCE GVLSLFSGLM WFFTIGIWFW YQAGWNPAVF LRDLFFFSLE PPAPEYGLSF DATA SEQUENCE AAPLKEGGLW LIASFFMFVA VWSWWGRTYL RAQALGMGKH TAWAFLSAIW DATA SEQUENCE LWMVLGFIRP ILMGSWSEAV PYGIFSHLDW TNNFSLVHGN LFYNPFHGLS DATA SEQUENCE IAFLYGSALL FAMHGATILA VSRFGGEREL EQIADRGTAA ERAALFWRWT DATA SEQUENCE MGFNATMEGI HRWAIWMAVL VTLTGGIGIL LSGTVVDNWY VWGQNH 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 175.958 176.117 -0.266 0.000 1.063 6 I CA 0.000 61.190 61.300 -0.183 0.000 1.566 6 I CB 0.000 37.932 38.000 -0.113 0.000 1.214 7 F N 2.408 122.401 119.950 0.071 0.000 2.639 7 F HA 0.533 5.060 4.527 -0.000 0.000 0.339 7 F C 0.598 176.501 175.800 0.172 0.000 1.071 7 F CA -0.581 57.509 58.000 0.149 0.000 0.994 7 F CB 1.797 40.898 39.000 0.169 0.000 1.341 7 F HN 0.197 nan 8.300 nan 0.000 0.498 8 S N 1.032 117.046 115.700 0.525 0.000 2.568 8 S HA 0.038 4.508 4.470 -0.000 0.000 0.282 8 S C 0.750 175.631 174.600 0.468 0.000 1.338 8 S CA -0.481 57.967 58.200 0.413 0.000 1.045 8 S CB 0.980 64.388 63.200 0.347 0.000 0.873 8 S HN 0.533 nan 8.310 nan 0.000 0.516 9 Q N 0.615 120.587 119.800 0.285 0.000 2.084 9 Q HA 0.158 4.498 4.340 -0.000 0.000 0.194 9 Q C 0.601 176.774 176.000 0.288 0.000 0.969 9 Q CA 0.842 56.782 55.803 0.229 0.000 0.829 9 Q CB 0.078 28.889 28.738 0.122 0.000 0.904 9 Q HN 0.526 nan 8.270 nan 0.000 0.464 10 V N 0.643 120.670 119.914 0.189 0.000 2.864 10 V HA 0.313 4.433 4.120 -0.000 0.000 0.314 10 V C -1.359 174.749 176.094 0.023 0.000 1.073 10 V CA -0.575 61.801 62.300 0.125 0.000 0.956 10 V CB 2.094 33.957 31.823 0.067 0.000 1.023 10 V HN 0.221 nan 8.190 nan 0.000 0.435 11 Q N 3.271 123.008 119.800 -0.105 0.000 2.282 11 Q HA 0.701 5.041 4.340 -0.000 0.000 0.260 11 Q C -1.558 174.369 176.000 -0.122 0.000 0.964 11 Q CA -0.711 54.971 55.803 -0.202 0.000 0.880 11 Q CB 2.456 30.931 28.738 -0.438 0.000 1.286 11 Q HN 0.641 nan 8.270 nan 0.000 0.445 12 V N 2.645 122.504 119.914 -0.093 0.000 2.483 12 V HA 0.486 4.606 4.120 -0.000 0.000 0.297 12 V C -0.481 175.575 176.094 -0.063 0.000 1.027 12 V CA -0.738 61.524 62.300 -0.063 0.000 0.855 12 V CB 1.896 33.695 31.823 -0.040 0.000 0.995 12 V HN 0.659 nan 8.190 nan 0.000 0.424 13 R N 1.697 122.162 120.500 -0.058 0.000 2.828 13 R HA 0.878 5.218 4.340 -0.000 0.000 0.264 13 R C 0.189 176.467 176.300 -0.037 0.000 1.022 13 R CA 0.096 56.166 56.100 -0.050 0.000 1.021 13 R CB 2.175 32.442 30.300 -0.054 0.000 1.163 13 R HN 0.936 nan 8.270 nan 0.000 0.494 14 G N 1.029 109.810 108.800 -0.032 0.000 2.911 14 G HA2 0.478 4.438 3.960 -0.000 0.000 0.299 14 G HA3 0.478 4.438 3.960 -0.000 0.000 0.299 14 G C -2.530 172.356 174.900 -0.023 0.000 1.283 14 G CA -0.887 44.197 45.100 -0.026 0.000 0.805 14 G HN 0.477 nan 8.290 nan 0.000 0.548 15 P HA 0.476 nan 4.420 nan 0.000 0.272 15 P C 0.051 177.341 177.300 -0.017 0.000 1.230 15 P CA -0.068 63.021 63.100 -0.018 0.000 0.788 15 P CB 0.631 32.321 31.700 -0.016 0.000 0.949 16 A N 1.579 124.390 122.820 -0.015 0.000 2.580 16 A HA 0.052 4.372 4.320 -0.000 0.000 0.244 16 A C 0.347 177.925 177.584 -0.011 0.000 1.045 16 A CA 0.243 52.273 52.037 -0.012 0.000 0.761 16 A CB -0.696 18.298 19.000 -0.011 0.000 0.962 16 A HN 0.601 nan 8.150 nan 0.000 0.512 17 D N 1.285 121.678 120.400 -0.010 0.000 2.264 17 D HA 0.597 5.237 4.640 -0.000 0.000 0.249 17 D C -0.298 175.997 176.300 -0.008 0.000 1.070 17 D CA -0.027 53.966 54.000 -0.010 0.000 0.912 17 D CB 0.600 41.392 40.800 -0.012 0.000 1.193 17 D HN 0.300 nan 8.370 nan 0.000 0.427 18 L N 1.445 122.663 121.223 -0.008 0.000 2.389 18 L HA 0.905 5.245 4.340 -0.000 0.000 0.249 18 L C 0.792 177.657 176.870 -0.009 0.000 1.083 18 L CA -0.711 54.125 54.840 -0.006 0.000 0.876 18 L CB 1.471 43.527 42.059 -0.005 0.000 1.489 18 L HN 0.570 nan 8.230 nan 0.000 0.412 19 G N -1.627 107.167 108.800 -0.009 0.000 3.111 19 G HA2 0.451 4.411 3.960 -0.000 0.000 0.158 19 G HA3 0.451 4.411 3.960 -0.000 0.000 0.158 19 G C -0.547 174.344 174.900 -0.014 0.000 1.161 19 G CA -0.292 44.799 45.100 -0.015 0.000 1.025 19 G HN 0.403 nan 8.290 nan 0.000 0.619 20 M N -1.754 117.834 119.600 -0.020 0.000 2.308 20 M HA 0.493 4.973 4.480 -0.000 0.000 0.212 20 M C 1.048 177.341 176.300 -0.012 0.000 0.857 20 M CA 0.808 56.097 55.300 -0.018 0.000 1.856 20 M CB 1.342 33.925 32.600 -0.029 0.000 1.108 20 M HN 0.564 nan 8.290 nan 0.000 0.899 21 T N -1.915 112.626 114.554 -0.022 0.000 3.758 21 T HA -0.039 4.311 4.350 -0.000 0.000 0.281 21 T C 0.235 174.906 174.700 -0.047 0.000 0.970 21 T CA 0.654 62.747 62.100 -0.012 0.000 0.875 21 T CB -0.344 68.581 68.868 0.095 0.000 1.111 21 T HN 0.809 nan 8.240 nan 0.000 0.850 22 E N 1.207 121.393 120.200 -0.023 0.000 5.003 22 E HA -0.192 4.158 4.350 -0.000 0.000 0.166 22 E C -0.264 176.330 176.600 -0.010 0.000 1.244 22 E CA 2.363 58.742 56.400 -0.034 0.000 2.281 22 E CB -1.291 28.364 29.700 -0.074 0.000 1.825 22 E HN 0.644 nan 8.360 nan 0.000 0.420 23 D N -0.501 119.904 120.400 0.009 0.000 2.388 23 D HA 0.337 4.977 4.640 -0.000 0.000 0.254 23 D C -0.074 176.323 176.300 0.162 0.000 1.111 23 D CA 0.242 54.284 54.000 0.070 0.000 0.993 23 D CB 1.109 41.945 40.800 0.059 0.000 1.118 23 D HN 0.187 nan 8.370 nan 0.000 0.502 24 V N 1.582 121.560 119.914 0.106 0.000 3.035 24 V HA -0.251 3.869 4.120 -0.000 0.000 0.279 24 V C 0.243 176.344 176.094 0.013 0.000 1.460 24 V CA 0.196 62.522 62.300 0.044 0.000 1.463 24 V CB -0.876 30.951 31.823 0.007 0.000 0.834 24 V HN 0.414 nan 8.190 nan 0.000 0.478 25 N N 4.777 123.465 118.700 -0.021 0.000 2.406 25 N HA 0.363 5.103 4.740 -0.000 0.000 0.269 25 N C 0.481 175.905 175.510 -0.144 0.000 1.210 25 N CA -0.022 52.995 53.050 -0.056 0.000 0.966 25 N CB 0.583 39.052 38.487 -0.030 0.000 1.293 25 N HN 0.734 nan 8.380 nan 0.000 0.491 26 L N 0.341 121.388 121.223 -0.293 0.000 2.609 26 L HA 0.340 4.680 4.340 -0.000 0.000 0.230 26 L C 0.926 177.570 176.870 -0.377 0.000 1.064 26 L CA -0.050 54.523 54.840 -0.446 0.000 0.873 26 L CB 0.171 41.717 42.059 -0.855 0.000 1.139 26 L HN 0.383 nan 8.230 nan 0.000 0.490 27 A N 0.775 123.435 122.820 -0.267 0.000 3.030 27 A HA 0.181 4.501 4.320 -0.000 0.000 0.273 27 A C 0.347 177.908 177.584 -0.038 0.000 1.841 27 A CA 0.334 52.342 52.037 -0.048 0.000 1.479 27 A CB -0.871 18.222 19.000 0.155 0.000 1.048 27 A HN 0.535 nan 8.150 nan 0.000 0.612 28 N N -0.849 117.813 118.700 -0.063 0.000 1.952 28 N HA 0.085 4.825 4.740 -0.000 0.000 0.231 28 N C 0.348 175.838 175.510 -0.035 0.000 1.378 28 N CA -0.473 52.552 53.050 -0.042 0.000 0.828 28 N CB 0.295 38.751 38.487 -0.051 0.000 1.097 28 N HN 0.430 nan 8.380 nan 0.000 0.476 29 R N 2.064 122.538 120.500 -0.043 0.000 2.446 29 R HA 0.125 4.465 4.340 -0.000 0.000 0.314 29 R C -0.524 175.770 176.300 -0.011 0.000 1.003 29 R CA 0.643 56.725 56.100 -0.030 0.000 1.018 29 R CB -0.570 29.710 30.300 -0.034 0.000 0.945 29 R HN 0.115 nan 8.270 nan 0.000 0.419 30 S N 2.602 118.296 115.700 -0.010 0.000 3.625 30 S HA -0.148 4.321 4.470 -0.000 0.000 0.426 30 S C 1.139 175.739 174.600 0.000 0.000 0.884 30 S CA 0.600 58.799 58.200 -0.002 0.000 1.322 30 S CB -1.464 61.741 63.200 0.008 0.000 0.905 30 S HN 0.950 nan 8.310 nan 0.000 0.586 31 G N -0.430 108.366 108.800 -0.006 0.000 2.564 31 G HA2 0.176 4.136 3.960 -0.000 0.000 0.216 31 G HA3 0.176 4.136 3.960 -0.000 0.000 0.216 31 G C 0.493 175.391 174.900 -0.003 0.000 1.124 31 G CA 1.155 46.252 45.100 -0.005 0.000 0.764 31 G HN 0.644 nan 8.290 nan 0.000 0.550 32 V N -2.188 117.724 119.914 -0.002 0.000 3.126 32 V HA 0.906 5.026 4.120 -0.000 0.000 0.314 32 V C 0.897 176.996 176.094 0.008 0.000 1.138 32 V CA 0.089 62.388 62.300 -0.002 0.000 1.034 32 V CB 1.603 33.419 31.823 -0.012 0.000 1.075 32 V HN 0.272 nan 8.190 nan 0.000 0.442 33 G N 0.149 108.954 108.800 0.009 0.000 4.204 33 G HA2 0.102 4.062 3.960 -0.000 0.000 0.198 33 G HA3 0.102 4.062 3.960 -0.000 0.000 0.198 33 G C -2.489 172.421 174.900 0.017 0.000 0.964 33 G CA -0.039 45.078 45.100 0.029 0.000 0.914 33 G HN 0.628 nan 8.290 nan 0.000 0.317 34 P HA -0.067 nan 4.420 nan 0.000 0.258 34 P C -1.052 176.269 177.300 0.035 0.000 1.102 34 P CA 1.006 64.125 63.100 0.031 0.000 0.757 34 P CB -0.041 31.652 31.700 -0.012 0.000 0.681 35 F N 2.983 122.914 119.950 -0.031 0.000 2.532 35 F HA 0.180 4.707 4.527 -0.000 0.000 0.313 35 F C 1.461 177.228 175.800 -0.055 0.000 1.301 35 F CA -0.091 57.893 58.000 -0.026 0.000 1.154 35 F CB -0.095 38.903 39.000 -0.004 0.000 1.335 35 F HN 0.158 nan 8.300 nan 0.000 0.542 36 S N -0.364 115.382 115.700 0.076 0.000 2.368 36 S HA -0.274 4.196 4.470 -0.000 0.000 0.226 36 S C 2.159 176.743 174.600 -0.028 0.000 1.044 36 S CA 2.243 60.402 58.200 -0.069 0.000 1.062 36 S CB -0.510 62.621 63.200 -0.116 0.000 0.931 36 S HN 0.619 nan 8.310 nan 0.000 0.440 37 T N 2.157 116.787 114.554 0.127 0.000 2.656 37 T HA -0.210 4.140 4.350 -0.000 0.000 0.262 37 T C 1.536 176.489 174.700 0.420 0.000 1.070 37 T CA 2.025 64.284 62.100 0.265 0.000 1.160 37 T CB -0.386 68.628 68.868 0.242 0.000 0.855 37 T HN 0.314 nan 8.240 nan 0.000 0.456 38 L N -1.638 119.853 121.223 0.446 0.000 2.920 38 L HA 0.336 4.676 4.340 -0.000 0.000 0.168 38 L C 2.259 179.255 176.870 0.209 0.000 1.141 38 L CA -0.073 54.964 54.840 0.328 0.000 0.859 38 L CB -0.325 41.801 42.059 0.111 0.000 1.398 38 L HN 0.042 nan 8.230 nan 0.000 0.517 39 L N 0.766 122.028 121.223 0.064 0.000 2.081 39 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 39 L C 2.427 179.376 176.870 0.131 0.000 1.080 39 L CA 1.750 56.631 54.840 0.068 0.000 0.754 39 L CB -1.060 41.000 42.059 0.001 0.000 0.893 39 L HN 0.482 nan 8.230 nan 0.000 0.433 40 G N -1.180 107.623 108.800 0.006 0.000 2.509 40 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 40 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 40 G C 1.110 175.956 174.900 -0.091 0.000 1.124 40 G CA 0.031 45.064 45.100 -0.111 0.000 0.776 40 G HN 0.445 nan 8.290 nan 0.000 0.547 41 W N -1.345 120.048 121.300 0.155 0.000 2.595 41 W HA 0.277 4.937 4.660 -0.000 0.000 0.257 41 W C 1.803 178.586 176.519 0.441 0.000 1.267 41 W CA -0.363 57.099 57.345 0.194 0.000 1.300 41 W CB -0.021 29.459 29.460 0.033 0.000 1.120 41 W HN 0.186 nan 8.180 nan 0.000 0.618 42 F N -0.902 119.300 119.950 0.420 0.000 2.522 42 F HA 0.466 4.993 4.527 -0.000 0.000 0.275 42 F C 1.670 177.560 175.800 0.150 0.000 0.890 42 F CA 1.186 59.407 58.000 0.368 0.000 1.157 42 F CB -0.522 38.700 39.000 0.371 0.000 1.117 42 F HN -0.276 nan 8.300 nan 0.000 0.787 43 G N -0.257 108.692 108.800 0.248 0.000 3.135 43 G HA2 0.239 4.199 3.960 -0.000 0.000 0.159 43 G HA3 0.239 4.199 3.960 -0.000 0.000 0.159 43 G C -1.322 173.612 174.900 0.056 0.000 1.244 43 G CA -0.659 44.479 45.100 0.064 0.000 0.965 43 G HN 0.083 nan 8.290 nan 0.000 0.599 44 N N 0.129 118.853 118.700 0.039 0.000 2.499 44 N HA 0.480 5.220 4.740 -0.000 0.000 0.281 44 N C 1.126 176.653 175.510 0.029 0.000 1.098 44 N CA 0.228 53.288 53.050 0.016 0.000 0.979 44 N CB 1.748 40.239 38.487 0.007 0.000 1.121 44 N HN 0.477 nan 8.380 nan 0.000 0.466 45 A N 2.405 125.230 122.820 0.009 0.000 2.015 45 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 45 A C 1.004 178.620 177.584 0.054 0.000 1.163 45 A CA 0.892 52.947 52.037 0.030 0.000 0.646 45 A CB -0.387 18.605 19.000 -0.013 0.000 0.806 45 A HN 0.743 nan 8.150 nan 0.000 0.448 46 Q N 0.508 120.325 119.800 0.030 0.000 2.286 46 Q HA 0.367 4.707 4.340 -0.000 0.000 0.265 46 Q C -1.337 174.689 176.000 0.044 0.000 1.080 46 Q CA -0.292 55.530 55.803 0.032 0.000 0.906 46 Q CB 0.112 28.858 28.738 0.013 0.000 1.227 46 Q HN 0.414 nan 8.270 nan 0.000 0.409 47 L N 3.857 125.118 121.223 0.064 0.000 2.375 47 L HA 0.610 4.950 4.340 -0.000 0.000 0.271 47 L C 0.690 177.586 176.870 0.043 0.000 1.107 47 L CA 0.851 55.729 54.840 0.064 0.000 0.806 47 L CB 1.435 43.553 42.059 0.098 0.000 1.146 47 L HN 0.893 nan 8.230 nan 0.000 0.447 48 G N 2.290 111.112 108.800 0.037 0.000 2.814 48 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.677 48 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.677 48 G C -2.804 172.108 174.900 0.021 0.000 1.429 48 G CA -0.755 44.362 45.100 0.028 0.000 0.868 48 G HN 0.548 nan 8.290 nan 0.000 0.553 49 P HA 0.620 nan 4.420 nan 0.000 0.277 49 P C -0.364 176.955 177.300 0.031 0.000 1.276 49 P CA -0.372 62.739 63.100 0.018 0.000 0.788 49 P CB 1.184 32.890 31.700 0.011 0.000 1.114 50 I N -0.580 120.009 120.570 0.031 0.000 2.740 50 I HA 0.369 4.539 4.170 -0.000 0.000 0.303 50 I C -1.314 174.844 176.117 0.067 0.000 1.044 50 I CA -1.626 59.706 61.300 0.054 0.000 1.064 50 I CB 1.656 39.686 38.000 0.050 0.000 1.249 50 I HN 0.203 nan 8.210 nan 0.000 0.433 51 Y N 7.090 127.362 120.300 -0.047 0.000 2.676 51 Y HA 0.562 5.112 4.550 -0.000 0.000 0.338 51 Y C -1.190 174.670 175.900 -0.067 0.000 1.057 51 Y CA -0.386 57.676 58.100 -0.064 0.000 1.314 51 Y CB 0.448 38.854 38.460 -0.090 0.000 1.164 51 Y HN 0.458 nan 8.280 nan 0.000 0.509 52 L N 6.036 127.191 121.223 -0.113 0.000 2.260 52 L HA 0.597 4.937 4.340 -0.000 0.000 0.289 52 L C 0.659 177.422 176.870 -0.179 0.000 1.057 52 L CA -0.148 54.650 54.840 -0.069 0.000 0.811 52 L CB 0.739 42.767 42.059 -0.051 0.000 1.184 52 L HN 0.779 nan 8.230 nan 0.000 0.429 53 G N 0.340 109.106 108.800 -0.056 0.000 3.140 53 G HA2 0.358 4.317 3.960 -0.000 0.000 0.271 53 G HA3 0.358 4.317 3.960 -0.000 0.000 0.271 53 G C 0.682 175.578 174.900 -0.007 0.000 1.370 53 G CA 0.264 45.333 45.100 -0.052 0.000 1.014 53 G HN 0.553 nan 8.290 nan 0.000 0.541 54 S N -0.561 115.139 115.700 0.000 0.000 2.365 54 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 54 S C 2.341 176.952 174.600 0.018 0.000 1.039 54 S CA 1.478 59.678 58.200 -0.000 0.000 1.033 54 S CB -0.641 62.559 63.200 0.000 0.000 0.887 54 S HN 0.369 nan 8.310 nan 0.000 0.447 55 L N 1.678 122.914 121.223 0.021 0.000 2.083 55 L HA -0.016 4.323 4.340 -0.000 0.000 0.209 55 L C 3.040 179.934 176.870 0.040 0.000 1.083 55 L CA 1.196 56.052 54.840 0.026 0.000 0.752 55 L CB -1.493 40.555 42.059 -0.018 0.000 0.899 55 L HN 0.535 nan 8.230 nan 0.000 0.433 56 G N -0.035 108.776 108.800 0.018 0.000 2.459 56 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 56 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 56 G C 1.603 176.570 174.900 0.112 0.000 1.183 56 G CA 1.059 46.188 45.100 0.047 0.000 0.776 56 G HN 0.173 nan 8.290 nan 0.000 0.552 57 V N 0.894 120.850 119.914 0.069 0.000 2.255 57 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 57 V C 2.784 178.950 176.094 0.120 0.000 1.051 57 V CA 1.406 63.749 62.300 0.072 0.000 1.018 57 V CB -0.541 31.288 31.823 0.010 0.000 0.641 57 V HN 0.252 nan 8.190 nan 0.000 0.445 58 L N 0.069 121.355 121.223 0.105 0.000 1.990 58 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 58 L C 2.569 179.560 176.870 0.202 0.000 1.072 58 L CA 2.527 57.456 54.840 0.147 0.000 0.755 58 L CB -1.320 40.812 42.059 0.122 0.000 0.889 58 L HN 0.415 nan 8.230 nan 0.000 0.432 59 S N -0.296 115.524 115.700 0.200 0.000 2.343 59 S HA -0.187 4.283 4.470 -0.000 0.000 0.219 59 S C 2.017 176.720 174.600 0.172 0.000 1.033 59 S CA 1.221 59.554 58.200 0.222 0.000 1.014 59 S CB -0.428 63.010 63.200 0.396 0.000 0.915 59 S HN 0.385 nan 8.310 nan 0.000 0.435 60 L N 0.083 121.413 121.223 0.178 0.000 2.079 60 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 60 L C 2.262 179.188 176.870 0.092 0.000 1.081 60 L CA 1.417 56.323 54.840 0.110 0.000 0.752 60 L CB -0.345 41.780 42.059 0.110 0.000 0.896 60 L HN 0.283 nan 8.230 nan 0.000 0.433 61 F N 0.160 120.102 119.950 -0.013 0.000 2.075 61 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 61 F C 2.623 178.362 175.800 -0.102 0.000 1.113 61 F CA 2.035 59.998 58.000 -0.062 0.000 1.218 61 F CB -0.366 38.601 39.000 -0.054 0.000 0.984 61 F HN -0.049 nan 8.300 nan 0.000 0.472 62 S N 0.198 115.871 115.700 -0.045 0.000 2.402 62 S HA -0.075 4.395 4.470 -0.000 0.000 0.229 62 S C 2.273 176.847 174.600 -0.043 0.000 1.021 62 S CA 0.973 59.079 58.200 -0.156 0.000 0.974 62 S CB -1.152 62.110 63.200 0.102 0.000 0.800 62 S HN 0.618 nan 8.310 nan 0.000 0.484 63 G N 1.738 110.547 108.800 0.016 0.000 2.402 63 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.216 63 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.216 63 G C 1.303 176.310 174.900 0.178 0.000 1.162 63 G CA 0.369 45.529 45.100 0.100 0.000 0.777 63 G HN 0.413 nan 8.290 nan 0.000 0.539 64 L N -0.074 121.144 121.223 -0.008 0.000 2.093 64 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 64 L C 3.078 179.938 176.870 -0.017 0.000 1.085 64 L CA 0.573 55.400 54.840 -0.022 0.000 0.755 64 L CB -0.384 41.598 42.059 -0.127 0.000 0.904 64 L HN 0.162 nan 8.230 nan 0.000 0.435 65 M N -0.879 118.562 119.600 -0.265 0.000 2.067 65 M HA -0.249 4.231 4.480 -0.000 0.000 0.260 65 M C 2.140 178.497 176.300 0.094 0.000 1.069 65 M CA 1.842 56.932 55.300 -0.350 0.000 1.117 65 M CB -1.285 30.598 32.600 -1.195 0.000 1.334 65 M HN 0.431 nan 8.290 nan 0.000 0.407 66 W N 0.743 122.079 121.300 0.060 0.000 2.315 66 W HA -0.305 4.354 4.660 -0.000 0.000 0.323 66 W C 2.216 178.814 176.519 0.132 0.000 1.233 66 W CA 1.818 59.279 57.345 0.192 0.000 1.267 66 W CB -1.205 28.328 29.460 0.123 0.000 1.160 66 W HN 0.167 nan 8.180 nan 0.000 0.474 67 F N 0.180 119.930 119.950 -0.333 0.000 2.091 67 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 67 F C 2.388 177.996 175.800 -0.320 0.000 1.103 67 F CA 2.498 60.115 58.000 -0.639 0.000 1.228 67 F CB -1.247 37.612 39.000 -0.235 0.000 0.984 67 F HN 0.033 nan 8.300 nan 0.000 0.477 68 F N 0.211 120.117 119.950 -0.073 0.000 2.259 68 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 68 F C 2.281 178.026 175.800 -0.091 0.000 1.088 68 F CA 1.849 59.804 58.000 -0.074 0.000 1.358 68 F CB -0.948 38.034 39.000 -0.030 0.000 1.040 68 F HN -0.151 nan 8.300 nan 0.000 0.505 69 T N 1.715 116.249 114.554 -0.035 0.000 2.652 69 T HA -0.210 4.139 4.350 -0.000 0.000 0.267 69 T C 2.100 176.806 174.700 0.009 0.000 1.039 69 T CA 2.266 64.356 62.100 -0.017 0.000 1.153 69 T CB -0.525 68.492 68.868 0.247 0.000 0.863 69 T HN 0.284 nan 8.240 nan 0.000 0.428 70 I N 1.202 121.682 120.570 -0.149 0.000 2.208 70 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 70 I C 2.843 178.801 176.117 -0.265 0.000 1.097 70 I CA 1.305 62.464 61.300 -0.235 0.000 1.363 70 I CB -0.872 36.696 38.000 -0.720 0.000 1.051 70 I HN 0.322 nan 8.210 nan 0.000 0.413 71 G N 2.161 110.746 108.800 -0.359 0.000 2.514 71 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 71 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 71 G C 1.595 176.569 174.900 0.122 0.000 1.198 71 G CA 1.454 46.462 45.100 -0.155 0.000 0.780 71 G HN 0.552 nan 8.290 nan 0.000 0.565 72 I N -3.034 117.423 120.570 -0.189 0.000 2.315 72 I HA 0.063 4.233 4.170 -0.000 0.000 0.248 72 I C 2.442 178.547 176.117 -0.019 0.000 1.117 72 I CA 0.700 61.884 61.300 -0.194 0.000 1.404 72 I CB -0.653 36.954 38.000 -0.655 0.000 1.071 72 I HN 0.265 nan 8.210 nan 0.000 0.419 73 W N -0.256 121.095 121.300 0.085 0.000 2.374 73 W HA -0.078 4.582 4.660 -0.000 0.000 0.288 73 W C 2.202 178.887 176.519 0.277 0.000 1.218 73 W CA 0.206 57.660 57.345 0.180 0.000 1.245 73 W CB -0.356 29.194 29.460 0.149 0.000 1.126 73 W HN 0.075 nan 8.180 nan 0.000 0.545 74 F N -1.106 118.967 119.950 0.205 0.000 2.113 74 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 74 F C 1.782 177.514 175.800 -0.113 0.000 1.103 74 F CA 0.958 58.946 58.000 -0.020 0.000 1.248 74 F CB -1.421 37.638 39.000 0.098 0.000 0.999 74 F HN -0.146 nan 8.300 nan 0.000 0.475 75 W N -1.254 120.240 121.300 0.323 0.000 2.321 75 W HA -0.295 4.365 4.660 -0.000 0.000 0.306 75 W C 2.546 179.114 176.519 0.082 0.000 1.217 75 W CA 1.865 59.286 57.345 0.125 0.000 1.257 75 W CB -1.171 28.246 29.460 -0.072 0.000 1.145 75 W HN 0.089 nan 8.180 nan 0.000 0.509 76 Y N 1.411 121.826 120.300 0.191 0.000 2.151 76 Y HA -0.334 4.216 4.550 -0.000 0.000 0.284 76 Y C 2.141 178.060 175.900 0.032 0.000 1.166 76 Y CA 2.186 60.361 58.100 0.125 0.000 1.163 76 Y CB -0.931 37.628 38.460 0.165 0.000 0.974 76 Y HN 0.118 nan 8.280 nan 0.000 0.511 77 Q N -0.730 118.865 119.800 -0.342 0.000 2.291 77 Q HA -0.012 4.328 4.340 -0.000 0.000 0.205 77 Q C 1.602 177.359 176.000 -0.405 0.000 0.970 77 Q CA 0.998 56.465 55.803 -0.560 0.000 0.876 77 Q CB -0.138 28.148 28.738 -0.754 0.000 0.935 77 Q HN 0.543 nan 8.270 nan 0.000 0.455 78 A N -0.631 122.032 122.820 -0.262 0.000 2.535 78 A HA 0.518 4.838 4.320 -0.000 0.000 0.273 78 A C 1.197 178.872 177.584 0.152 0.000 1.267 78 A CA 0.479 52.540 52.037 0.039 0.000 0.940 78 A CB 0.020 19.167 19.000 0.245 0.000 1.101 78 A HN 0.364 nan 8.150 nan 0.000 0.521 79 G N -0.156 108.721 108.800 0.129 0.000 5.431 79 G HA2 -0.457 3.502 3.960 -0.000 0.000 0.322 79 G HA3 -0.457 3.502 3.960 -0.000 0.000 0.322 79 G C 0.788 175.956 174.900 0.446 0.000 1.370 79 G CA 1.240 46.498 45.100 0.263 0.000 0.963 79 G HN 1.753 nan 8.290 nan 0.000 0.797 80 W N 0.389 121.831 121.300 0.236 0.000 1.387 80 W HA 0.317 4.977 4.660 -0.000 0.000 0.154 80 W C -0.049 176.685 176.519 0.358 0.000 0.714 80 W CA 0.525 58.035 57.345 0.275 0.000 0.728 80 W CB -0.019 29.503 29.460 0.102 0.000 0.704 80 W HN 0.431 nan 8.180 nan 0.000 0.528 81 N N 4.695 123.401 118.700 0.010 0.000 2.406 81 N HA 0.035 4.775 4.740 -0.000 0.000 0.265 81 N C -1.046 174.397 175.510 -0.111 0.000 1.203 81 N CA -0.215 52.588 53.050 -0.412 0.000 0.945 81 N CB 1.384 39.810 38.487 -0.102 0.000 1.165 81 N HN 0.098 nan 8.380 nan 0.000 0.485 82 P HA -0.151 nan 4.420 nan 0.000 0.216 82 P C 0.993 178.333 177.300 0.066 0.000 1.150 82 P CA 1.040 64.186 63.100 0.077 0.000 0.837 82 P CB 0.175 31.951 31.700 0.127 0.000 0.786 83 A N -0.088 122.728 122.820 -0.007 0.000 1.940 83 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 83 A C 2.469 180.070 177.584 0.028 0.000 1.176 83 A CA 1.933 53.977 52.037 0.012 0.000 0.631 83 A CB -1.562 17.435 19.000 -0.005 0.000 0.814 83 A HN 0.107 nan 8.150 nan 0.000 0.446 84 V N -1.531 118.411 119.914 0.047 0.000 2.256 84 V HA -0.152 3.968 4.120 -0.000 0.000 0.240 84 V C 2.141 178.299 176.094 0.106 0.000 1.036 84 V CA 1.747 64.089 62.300 0.070 0.000 1.008 84 V CB -1.089 30.793 31.823 0.099 0.000 0.648 84 V HN 0.612 nan 8.190 nan 0.000 0.453 85 F N 0.398 120.341 119.950 -0.012 0.000 2.063 85 F HA -0.319 4.208 4.527 -0.000 0.000 0.296 85 F C 2.163 177.892 175.800 -0.120 0.000 1.093 85 F CA 1.987 59.978 58.000 -0.015 0.000 1.229 85 F CB -0.372 38.367 39.000 -0.435 0.000 0.971 85 F HN 0.016 nan 8.300 nan 0.000 0.491 86 L N 1.077 122.313 121.223 0.022 0.000 2.079 86 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 86 L C 2.624 179.390 176.870 -0.173 0.000 1.081 86 L CA 2.381 57.172 54.840 -0.081 0.000 0.752 86 L CB -1.379 40.704 42.059 0.039 0.000 0.896 86 L HN 0.415 nan 8.230 nan 0.000 0.433 87 R N -0.984 119.431 120.500 -0.141 0.000 2.093 87 R HA -0.058 4.282 4.340 -0.000 0.000 0.224 87 R C 0.765 176.970 176.300 -0.158 0.000 1.101 87 R CA 1.121 57.144 56.100 -0.128 0.000 0.979 87 R CB -0.348 29.904 30.300 -0.079 0.000 0.877 87 R HN 0.201 nan 8.270 nan 0.000 0.441 88 D N 1.239 121.423 120.400 -0.361 0.000 2.325 88 D HA 0.026 4.666 4.640 -0.000 0.000 0.225 88 D C 1.533 176.951 176.300 -1.470 0.000 1.096 88 D CA -0.054 53.568 54.000 -0.629 0.000 0.844 88 D CB 0.398 40.838 40.800 -0.599 0.000 0.925 88 D HN 0.117 nan 8.370 nan 0.000 0.513 89 L N -0.181 120.437 121.223 -1.007 0.000 2.042 89 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 89 L C 1.546 178.092 176.870 -0.540 0.000 1.076 89 L CA 1.520 55.856 54.840 -0.839 0.000 0.749 89 L CB -0.443 41.379 42.059 -0.394 0.000 0.893 89 L HN -0.034 nan 8.230 nan 0.000 0.432 90 F N -0.689 118.777 119.950 -0.806 0.000 2.325 90 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 90 F C 2.076 177.266 175.800 -1.017 0.000 1.090 90 F CA 0.967 58.328 58.000 -1.064 0.000 1.392 90 F CB -0.536 37.503 39.000 -1.603 0.000 1.053 90 F HN 0.028 nan 8.300 nan 0.000 0.521 91 F N -2.243 117.474 119.950 -0.389 0.000 2.698 91 F HA 0.122 4.649 4.527 -0.000 0.000 0.295 91 F C 0.751 176.459 175.800 -0.153 0.000 1.124 91 F CA -0.469 57.441 58.000 -0.150 0.000 1.426 91 F CB -0.661 38.276 39.000 -0.106 0.000 1.120 91 F HN -0.344 nan 8.300 nan 0.000 0.583 92 F N 0.381 120.155 119.950 -0.292 0.000 2.490 92 F HA 0.412 4.939 4.527 -0.000 0.000 0.336 92 F C 0.836 176.454 175.800 -0.303 0.000 1.178 92 F CA -0.906 56.754 58.000 -0.566 0.000 1.301 92 F CB 0.205 38.250 39.000 -1.591 0.000 1.175 92 F HN -0.269 nan 8.300 nan 0.000 0.593 93 S N 0.617 116.379 115.700 0.103 0.000 2.752 93 S HA 0.796 5.266 4.470 -0.000 0.000 0.284 93 S C -1.847 172.941 174.600 0.314 0.000 1.189 93 S CA -0.779 57.587 58.200 0.277 0.000 0.835 93 S CB 1.256 64.579 63.200 0.205 0.000 1.192 93 S HN 0.639 nan 8.310 nan 0.000 0.506 94 L N 2.308 123.717 121.223 0.310 0.000 2.680 94 L HA 0.534 4.874 4.340 -0.000 0.000 0.260 94 L C -1.572 175.437 176.870 0.231 0.000 0.975 94 L CA -0.325 54.675 54.840 0.267 0.000 0.920 94 L CB 1.392 43.673 42.059 0.370 0.000 1.234 94 L HN 0.610 nan 8.230 nan 0.000 0.429 95 E N 5.089 125.346 120.200 0.096 0.000 2.266 95 E HA 0.423 4.773 4.350 -0.000 0.000 0.277 95 E C -1.964 174.513 176.600 -0.205 0.000 1.018 95 E CA -1.455 54.928 56.400 -0.028 0.000 0.840 95 E CB 1.163 30.853 29.700 -0.017 0.000 1.082 95 E HN 0.310 nan 8.360 nan 0.000 0.395 96 P HA -0.230 nan 4.420 nan 0.000 0.221 96 P C -1.664 175.368 177.300 -0.447 0.000 1.082 96 P CA 0.913 63.309 63.100 -1.173 0.000 0.951 96 P CB -0.658 30.323 31.700 -1.197 0.000 0.583 97 P HA -0.166 nan 4.420 nan 0.000 0.208 97 P C 0.113 177.307 177.300 -0.177 0.000 1.189 97 P CA 2.294 65.287 63.100 -0.179 0.000 0.931 97 P CB -0.863 30.752 31.700 -0.142 0.000 0.783 98 A N -1.350 121.363 122.820 -0.178 0.000 2.218 98 A HA -0.171 4.149 4.320 -0.000 0.000 0.275 98 A C -1.484 176.066 177.584 -0.057 0.000 1.351 98 A CA 0.164 52.136 52.037 -0.108 0.000 0.803 98 A CB -2.495 16.429 19.000 -0.127 0.000 1.058 98 A HN 0.287 nan 8.150 nan 0.000 0.358 99 P HA -0.093 nan 4.420 nan 0.000 0.110 99 P C 0.730 178.004 177.300 -0.043 0.000 0.739 99 P CA 1.170 64.251 63.100 -0.032 0.000 1.065 99 P CB -0.185 31.484 31.700 -0.051 0.000 1.586 100 E N 0.963 121.166 120.200 0.005 0.000 2.324 100 E HA -0.204 4.146 4.350 -0.000 0.000 0.205 100 E C 0.663 177.303 176.600 0.066 0.000 1.031 100 E CA 1.286 57.700 56.400 0.024 0.000 0.836 100 E CB -0.733 28.990 29.700 0.039 0.000 0.742 100 E HN 0.656 nan 8.360 nan 0.000 0.491 101 Y N -0.449 119.825 120.300 -0.043 0.000 2.454 101 Y HA 0.521 5.070 4.550 -0.000 0.000 0.345 101 Y C 0.819 176.683 175.900 -0.061 0.000 0.970 101 Y CA -0.394 57.674 58.100 -0.052 0.000 1.204 101 Y CB 0.281 38.714 38.460 -0.045 0.000 1.122 101 Y HN 0.112 nan 8.280 nan 0.000 0.514 102 G N 3.251 112.083 108.800 0.054 0.000 2.693 102 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.226 102 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.226 102 G C -0.454 174.364 174.900 -0.137 0.000 1.354 102 G CA -0.251 44.821 45.100 -0.046 0.000 0.873 102 G HN 0.948 nan 8.290 nan 0.000 0.562 103 L N 0.615 121.708 121.223 -0.217 0.000 3.062 103 L HA 0.263 4.603 4.340 -0.000 0.000 0.255 103 L C 1.770 178.590 176.870 -0.082 0.000 1.274 103 L CA 0.325 55.003 54.840 -0.269 0.000 1.047 103 L CB 0.640 42.392 42.059 -0.511 0.000 1.402 103 L HN 0.432 nan 8.230 nan 0.000 0.550 104 S N 0.754 116.364 115.700 -0.149 0.000 2.795 104 S HA -0.089 4.381 4.470 -0.000 0.000 0.236 104 S C 1.348 175.693 174.600 -0.425 0.000 0.973 104 S CA 0.275 58.256 58.200 -0.365 0.000 0.982 104 S CB -0.783 62.298 63.200 -0.198 0.000 0.786 104 S HN 0.617 nan 8.310 nan 0.000 0.538 105 F N 0.220 120.267 119.950 0.161 0.000 1.957 105 F HA -0.441 4.086 4.527 -0.000 0.000 0.234 105 F C 0.923 176.755 175.800 0.054 0.000 1.259 105 F CA 0.309 58.383 58.000 0.125 0.000 2.014 105 F CB -2.150 36.911 39.000 0.101 0.000 0.566 105 F HN 0.262 nan 8.300 nan 0.000 0.248 106 A N 2.616 125.738 122.820 0.504 0.000 2.507 106 A HA 0.565 4.885 4.320 -0.000 0.000 0.281 106 A C 0.446 178.094 177.584 0.107 0.000 1.154 106 A CA 0.513 52.707 52.037 0.262 0.000 0.828 106 A CB -1.257 17.920 19.000 0.295 0.000 1.069 106 A HN 1.810 nan 8.150 nan 0.000 0.522 107 A N 4.751 127.611 122.820 0.067 0.000 2.547 107 A HA 0.781 5.101 4.320 -0.000 0.000 0.297 107 A C -3.078 174.512 177.584 0.010 0.000 1.056 107 A CA -1.512 50.522 52.037 -0.005 0.000 0.688 107 A CB 1.040 20.017 19.000 -0.040 0.000 1.282 107 A HN 0.513 nan 8.150 nan 0.000 0.400 108 P HA 0.216 nan 4.420 nan 0.000 0.270 108 P C -0.636 176.664 177.300 -0.000 0.000 1.227 108 P CA -0.090 63.019 63.100 0.015 0.000 0.788 108 P CB 0.351 32.060 31.700 0.015 0.000 0.926 109 L N 2.871 124.119 121.223 0.043 0.000 2.342 109 L HA 0.191 4.531 4.340 -0.000 0.000 0.285 109 L C 0.109 176.932 176.870 -0.080 0.000 1.095 109 L CA -0.171 54.684 54.840 0.026 0.000 0.843 109 L CB -0.497 41.761 42.059 0.332 0.000 1.201 109 L HN 0.477 nan 8.230 nan 0.000 0.445 110 K N 4.298 124.532 120.400 -0.277 0.000 4.685 110 K HA -0.146 4.174 4.320 -0.000 0.000 0.926 110 K C -0.149 176.403 176.600 -0.080 0.000 1.632 110 K CA 0.455 56.633 56.287 -0.182 0.000 1.408 110 K CB -0.694 31.795 32.500 -0.018 0.000 2.811 110 K HN 0.934 nan 8.250 nan 0.000 0.212 111 E N 0.224 120.368 120.200 -0.094 0.000 4.078 111 E HA -0.078 4.272 4.350 -0.000 0.000 0.219 111 E C 0.486 177.038 176.600 -0.081 0.000 1.184 111 E CA 1.300 57.652 56.400 -0.079 0.000 1.019 111 E CB -1.269 28.395 29.700 -0.060 0.000 1.081 111 E HN 1.347 nan 8.360 nan 0.000 0.420 112 G N 0.930 109.689 108.800 -0.068 0.000 4.013 112 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.255 112 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.255 112 G C 1.147 176.075 174.900 0.047 0.000 1.765 112 G CA 0.871 45.967 45.100 -0.007 0.000 1.396 112 G HN 1.207 nan 8.290 nan 0.000 0.605 113 G N 1.767 110.580 108.800 0.021 0.000 2.624 113 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.221 113 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.221 113 G C 2.096 177.019 174.900 0.038 0.000 1.169 113 G CA 3.122 48.245 45.100 0.039 0.000 0.771 113 G HN 1.851 nan 8.290 nan 0.000 0.598 114 L N -2.375 118.794 121.223 -0.090 0.000 2.043 114 L HA -0.037 4.303 4.340 -0.000 0.000 0.212 114 L C 2.596 179.439 176.870 -0.045 0.000 1.075 114 L CA 2.324 57.003 54.840 -0.269 0.000 0.752 114 L CB -0.571 40.766 42.059 -1.203 0.000 0.891 114 L HN 0.388 nan 8.230 nan 0.000 0.432 115 W N 0.937 122.157 121.300 -0.132 0.000 2.444 115 W HA 0.027 4.687 4.660 -0.000 0.000 0.308 115 W C 2.288 178.830 176.519 0.038 0.000 1.183 115 W CA 1.291 58.655 57.345 0.031 0.000 1.340 115 W CB -0.197 29.259 29.460 -0.007 0.000 1.138 115 W HN -0.009 nan 8.180 nan 0.000 0.510 116 L N 1.177 122.513 121.223 0.188 0.000 2.043 116 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 116 L C 2.566 179.346 176.870 -0.149 0.000 1.075 116 L CA 2.076 56.875 54.840 -0.068 0.000 0.752 116 L CB -1.274 40.773 42.059 -0.021 0.000 0.891 116 L HN 0.202 nan 8.230 nan 0.000 0.432 117 I N -2.435 118.092 120.570 -0.072 0.000 2.286 117 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 117 I C 2.671 178.711 176.117 -0.128 0.000 1.104 117 I CA 1.367 62.592 61.300 -0.125 0.000 1.397 117 I CB -0.827 37.176 38.000 0.005 0.000 1.072 117 I HN 0.073 nan 8.210 nan 0.000 0.417 118 A N 1.320 124.153 122.820 0.021 0.000 1.972 118 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 118 A C 2.411 180.046 177.584 0.086 0.000 1.169 118 A CA 2.101 54.201 52.037 0.105 0.000 0.635 118 A CB -0.754 18.250 19.000 0.007 0.000 0.810 118 A HN 0.555 nan 8.150 nan 0.000 0.446 119 S N -1.356 114.251 115.700 -0.154 0.000 2.470 119 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 119 S C 1.477 176.006 174.600 -0.118 0.000 1.006 119 S CA 0.678 58.742 58.200 -0.227 0.000 0.934 119 S CB -0.397 62.327 63.200 -0.794 0.000 0.778 119 S HN 0.622 nan 8.310 nan 0.000 0.517 120 F N 2.075 121.835 119.950 -0.316 0.000 2.134 120 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 120 F C 1.471 177.225 175.800 -0.077 0.000 1.097 120 F CA 1.122 58.944 58.000 -0.297 0.000 1.264 120 F CB -0.373 38.335 39.000 -0.487 0.000 1.001 120 F HN 0.116 nan 8.300 nan 0.000 0.479 121 F N -0.312 119.696 119.950 0.097 0.000 2.128 121 F HA -0.118 4.409 4.527 -0.000 0.000 0.295 121 F C 2.441 178.226 175.800 -0.026 0.000 1.100 121 F CA 1.357 59.365 58.000 0.014 0.000 1.260 121 F CB -1.528 37.577 39.000 0.175 0.000 1.009 121 F HN 0.056 nan 8.300 nan 0.000 0.476 122 M N -0.049 119.598 119.600 0.077 0.000 2.103 122 M HA -0.302 4.178 4.480 -0.000 0.000 0.255 122 M C 2.057 178.440 176.300 0.140 0.000 1.074 122 M CA 1.752 56.894 55.300 -0.263 0.000 1.090 122 M CB -1.138 31.257 32.600 -0.341 0.000 1.325 122 M HN 0.137 nan 8.290 nan 0.000 0.403 123 F N -0.329 119.683 119.950 0.103 0.000 2.046 123 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 123 F C 2.032 177.995 175.800 0.271 0.000 1.123 123 F CA 2.292 60.471 58.000 0.299 0.000 1.199 123 F CB -0.772 38.219 39.000 -0.014 0.000 0.972 123 F HN 0.021 nan 8.300 nan 0.000 0.474 124 V N 0.366 120.385 119.914 0.176 0.000 2.427 124 V HA -0.268 3.851 4.120 -0.000 0.000 0.248 124 V C 2.677 178.832 176.094 0.102 0.000 1.051 124 V CA 1.561 63.921 62.300 0.099 0.000 1.048 124 V CB -1.699 30.133 31.823 0.015 0.000 0.666 124 V HN 0.488 nan 8.190 nan 0.000 0.456 125 A N 0.186 123.040 122.820 0.056 0.000 1.883 125 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 125 A C 2.403 179.979 177.584 -0.013 0.000 1.186 125 A CA 2.405 54.455 52.037 0.021 0.000 0.624 125 A CB -0.751 18.200 19.000 -0.082 0.000 0.822 125 A HN 0.350 nan 8.150 nan 0.000 0.444 126 V N -2.612 117.176 119.914 -0.210 0.000 2.307 126 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 126 V C 2.248 178.179 176.094 -0.271 0.000 1.045 126 V CA 1.723 63.763 62.300 -0.433 0.000 1.024 126 V CB -1.107 30.012 31.823 -1.175 0.000 0.651 126 V HN 0.773 nan 8.190 nan 0.000 0.449 127 W N 0.703 121.893 121.300 -0.183 0.000 2.358 127 W HA -0.173 4.487 4.660 -0.000 0.000 0.303 127 W C 2.889 179.498 176.519 0.149 0.000 1.208 127 W CA 1.682 58.982 57.345 -0.075 0.000 1.274 127 W CB -0.288 29.008 29.460 -0.274 0.000 1.138 127 W HN 0.144 nan 8.180 nan 0.000 0.515 128 S N -0.781 115.122 115.700 0.339 0.000 2.356 128 S HA -0.256 4.214 4.470 -0.000 0.000 0.223 128 S C 1.472 176.224 174.600 0.253 0.000 1.032 128 S CA 1.217 59.579 58.200 0.269 0.000 1.005 128 S CB -1.090 62.231 63.200 0.202 0.000 0.867 128 S HN 0.420 nan 8.310 nan 0.000 0.449 129 W N 2.051 123.413 121.300 0.104 0.000 2.321 129 W HA -0.177 4.483 4.660 -0.000 0.000 0.306 129 W C 2.187 178.813 176.519 0.177 0.000 1.217 129 W CA 1.611 59.013 57.345 0.095 0.000 1.257 129 W CB -0.456 29.048 29.460 0.073 0.000 1.145 129 W HN 0.509 nan 8.180 nan 0.000 0.509 130 W N 1.732 123.243 121.300 0.350 0.000 2.335 130 W HA -0.167 4.493 4.660 -0.000 0.000 0.311 130 W C 2.033 178.663 176.519 0.184 0.000 1.213 130 W CA 2.208 59.739 57.345 0.311 0.000 1.274 130 W CB -1.339 28.092 29.460 -0.048 0.000 1.148 130 W HN -0.070 nan 8.180 nan 0.000 0.498 131 G N 1.460 110.109 108.800 -0.252 0.000 2.476 131 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.218 131 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.218 131 G C 1.773 176.496 174.900 -0.296 0.000 1.164 131 G CA 1.655 46.589 45.100 -0.277 0.000 0.768 131 G HN 0.395 nan 8.290 nan 0.000 0.560 132 R N -0.161 120.172 120.500 -0.277 0.000 2.083 132 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 132 R C 2.570 178.609 176.300 -0.435 0.000 1.137 132 R CA 2.091 57.959 56.100 -0.387 0.000 0.951 132 R CB -0.741 29.209 30.300 -0.585 0.000 0.851 132 R HN 0.340 nan 8.270 nan 0.000 0.434 133 T N 0.223 114.503 114.554 -0.457 0.000 2.833 133 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 133 T C 1.279 175.830 174.700 -0.248 0.000 1.054 133 T CA 1.165 63.056 62.100 -0.348 0.000 1.135 133 T CB -0.374 68.351 68.868 -0.239 0.000 0.869 133 T HN 0.323 nan 8.240 nan 0.000 0.466 134 Y N 1.780 121.778 120.300 -0.504 0.000 2.263 134 Y HA 0.116 4.666 4.550 -0.000 0.000 0.292 134 Y C 1.916 177.638 175.900 -0.296 0.000 1.130 134 Y CA 0.253 58.103 58.100 -0.417 0.000 1.179 134 Y CB -0.712 37.425 38.460 -0.538 0.000 0.998 134 Y HN 0.147 nan 8.280 nan 0.000 0.532 135 L N -0.323 120.717 121.223 -0.306 0.000 2.017 135 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 135 L C 2.506 179.173 176.870 -0.338 0.000 1.073 135 L CA 1.393 56.020 54.840 -0.354 0.000 0.745 135 L CB -0.561 41.320 42.059 -0.297 0.000 0.894 135 L HN 0.057 nan 8.230 nan 0.000 0.432 136 R N 0.274 120.566 120.500 -0.348 0.000 2.193 136 R HA -0.064 4.276 4.340 -0.000 0.000 0.229 136 R C 2.152 178.305 176.300 -0.246 0.000 1.110 136 R CA 1.218 57.103 56.100 -0.357 0.000 0.988 136 R CB -0.841 29.235 30.300 -0.374 0.000 0.871 136 R HN 0.368 nan 8.270 nan 0.000 0.458 137 A N 1.903 124.609 122.820 -0.189 0.000 1.872 137 A HA -0.218 4.102 4.320 -0.000 0.000 0.214 137 A C 2.253 179.769 177.584 -0.114 0.000 1.187 137 A CA 1.383 53.357 52.037 -0.105 0.000 0.614 137 A CB -0.337 18.666 19.000 0.005 0.000 0.826 137 A HN 0.455 nan 8.150 nan 0.000 0.442 138 Q N -0.561 119.127 119.800 -0.187 0.000 2.172 138 Q HA 0.209 4.549 4.340 -0.000 0.000 0.200 138 Q C 1.919 177.819 176.000 -0.166 0.000 0.964 138 Q CA 1.490 57.179 55.803 -0.190 0.000 0.855 138 Q CB -0.537 28.003 28.738 -0.330 0.000 0.918 138 Q HN 0.429 nan 8.270 nan 0.000 0.444 139 A N 1.925 124.627 122.820 -0.197 0.000 1.851 139 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 139 A C 2.079 179.584 177.584 -0.131 0.000 1.195 139 A CA 1.491 53.424 52.037 -0.173 0.000 0.622 139 A CB -0.918 17.942 19.000 -0.232 0.000 0.831 139 A HN 0.436 nan 8.150 nan 0.000 0.444 140 L N -0.590 120.553 121.223 -0.132 0.000 2.675 140 L HA 0.136 4.476 4.340 -0.000 0.000 0.238 140 L C 1.521 178.346 176.870 -0.074 0.000 1.155 140 L CA 0.443 55.224 54.840 -0.097 0.000 0.881 140 L CB -0.650 41.349 42.059 -0.100 0.000 1.008 140 L HN 0.672 nan 8.230 nan 0.000 0.443 141 G N -0.472 108.285 108.800 -0.073 0.000 2.160 141 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.244 141 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.244 141 G C 0.651 175.532 174.900 -0.032 0.000 1.022 141 G CA 0.624 45.694 45.100 -0.049 0.000 0.741 141 G HN 0.360 nan 8.290 nan 0.000 0.508 142 M N -0.430 119.150 119.600 -0.033 0.000 2.557 142 M HA 0.415 4.895 4.480 -0.000 0.000 0.262 142 M C 1.596 177.926 176.300 0.051 0.000 1.168 142 M CA 1.311 56.604 55.300 -0.012 0.000 1.194 142 M CB 0.183 32.759 32.600 -0.040 0.000 1.311 142 M HN 1.468 nan 8.290 nan 0.000 0.489 143 G N 1.369 110.207 108.800 0.062 0.000 2.758 143 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.686 143 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.686 143 G C 0.170 175.197 174.900 0.212 0.000 1.389 143 G CA 0.095 45.293 45.100 0.164 0.000 0.845 143 G HN 0.453 nan 8.290 nan 0.000 0.572 144 K N -0.505 120.066 120.400 0.285 0.000 2.378 144 K HA -0.385 3.935 4.320 -0.000 0.000 0.206 144 K C 1.894 178.540 176.600 0.078 0.000 1.020 144 K CA 2.794 59.148 56.287 0.111 0.000 0.924 144 K CB -0.392 32.105 32.500 -0.004 0.000 0.847 144 K HN 0.741 nan 8.250 nan 0.000 0.499 145 H N -0.708 118.347 119.070 -0.024 0.000 2.330 145 H HA -0.162 4.394 4.556 -0.000 0.000 0.290 145 H C 2.005 177.194 175.328 -0.231 0.000 1.111 145 H CA 2.147 58.055 56.048 -0.235 0.000 1.226 145 H CB -0.338 29.219 29.762 -0.342 0.000 1.355 145 H HN 0.421 nan 8.280 nan 0.000 0.485 146 T N 0.462 115.014 114.554 -0.004 0.000 2.777 146 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 146 T C 2.310 177.064 174.700 0.090 0.000 1.040 146 T CA 0.975 63.063 62.100 -0.019 0.000 1.141 146 T CB -0.345 68.497 68.868 -0.044 0.000 0.868 146 T HN 0.456 nan 8.240 nan 0.000 0.444 147 A N 1.541 124.417 122.820 0.093 0.000 1.930 147 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 147 A C 2.069 179.940 177.584 0.479 0.000 1.175 147 A CA 1.458 53.615 52.037 0.200 0.000 0.627 147 A CB -0.993 17.838 19.000 -0.282 0.000 0.815 147 A HN 0.721 nan 8.150 nan 0.000 0.443 148 W N 1.252 122.599 121.300 0.078 0.000 2.315 148 W HA -0.196 4.463 4.660 -0.000 0.000 0.323 148 W C 2.113 178.640 176.519 0.012 0.000 1.233 148 W CA 2.131 59.475 57.345 -0.001 0.000 1.267 148 W CB -1.160 28.190 29.460 -0.183 0.000 1.160 148 W HN 0.365 nan 8.180 nan 0.000 0.474 149 A N -0.135 122.853 122.820 0.281 0.000 2.019 149 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 149 A C 2.018 179.761 177.584 0.265 0.000 1.164 149 A CA 1.501 53.650 52.037 0.187 0.000 0.644 149 A CB -1.385 17.598 19.000 -0.029 0.000 0.805 149 A HN 0.365 nan 8.150 nan 0.000 0.449 150 F N 0.193 120.226 119.950 0.139 0.000 2.259 150 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 150 F C 1.753 177.587 175.800 0.055 0.000 1.088 150 F CA 0.447 58.517 58.000 0.116 0.000 1.358 150 F CB -0.497 38.632 39.000 0.214 0.000 1.040 150 F HN 0.144 nan 8.300 nan 0.000 0.505 151 L N -0.055 121.220 121.223 0.086 0.000 2.191 151 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 151 L C 2.590 179.397 176.870 -0.105 0.000 1.103 151 L CA 1.530 56.226 54.840 -0.240 0.000 0.769 151 L CB -0.655 41.223 42.059 -0.302 0.000 0.908 151 L HN 0.264 nan 8.230 nan 0.000 0.438 152 S N -0.454 115.256 115.700 0.017 0.000 2.383 152 S HA -0.128 4.342 4.470 -0.000 0.000 0.227 152 S C 2.152 176.840 174.600 0.147 0.000 1.026 152 S CA 0.728 58.982 58.200 0.090 0.000 0.981 152 S CB -0.395 62.850 63.200 0.074 0.000 0.818 152 S HN 0.371 nan 8.310 nan 0.000 0.472 153 A N 2.460 125.339 122.820 0.098 0.000 1.902 153 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 153 A C 2.222 179.804 177.584 -0.004 0.000 1.181 153 A CA 1.492 53.582 52.037 0.089 0.000 0.623 153 A CB -0.743 18.366 19.000 0.181 0.000 0.818 153 A HN 0.512 nan 8.150 nan 0.000 0.443 154 I N -1.254 119.181 120.570 -0.224 0.000 2.226 154 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 154 I C 2.418 178.627 176.117 0.153 0.000 1.100 154 I CA 1.060 62.214 61.300 -0.242 0.000 1.374 154 I CB -1.487 36.073 38.000 -0.733 0.000 1.057 154 I HN 0.775 nan 8.210 nan 0.000 0.413 155 W N 1.899 123.169 121.300 -0.050 0.000 2.315 155 W HA -0.265 4.394 4.660 -0.000 0.000 0.323 155 W C 2.424 178.976 176.519 0.055 0.000 1.233 155 W CA 1.210 58.560 57.345 0.009 0.000 1.267 155 W CB -0.395 29.050 29.460 -0.025 0.000 1.160 155 W HN 0.059 nan 8.180 nan 0.000 0.474 156 L N 0.180 121.434 121.223 0.053 0.000 2.083 156 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 156 L C 2.412 179.268 176.870 -0.024 0.000 1.083 156 L CA 2.383 57.145 54.840 -0.131 0.000 0.752 156 L CB -1.068 40.992 42.059 0.001 0.000 0.899 156 L HN 0.251 nan 8.230 nan 0.000 0.433 157 W N 0.209 121.451 121.300 -0.098 0.000 2.358 157 W HA -0.246 4.414 4.660 -0.000 0.000 0.303 157 W C 2.395 178.907 176.519 -0.012 0.000 1.208 157 W CA 1.204 58.503 57.345 -0.077 0.000 1.274 157 W CB -0.099 29.283 29.460 -0.129 0.000 1.138 157 W HN 0.037 nan 8.180 nan 0.000 0.515 158 M N -0.194 119.369 119.600 -0.061 0.000 2.200 158 M HA -0.136 4.344 4.480 -0.000 0.000 0.265 158 M C 1.979 178.245 176.300 -0.056 0.000 1.066 158 M CA 1.091 56.338 55.300 -0.087 0.000 1.127 158 M CB -1.582 31.146 32.600 0.213 0.000 1.379 158 M HN -0.064 nan 8.290 nan 0.000 0.420 159 V N 0.983 120.779 119.914 -0.196 0.000 2.220 159 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 159 V C 2.359 178.376 176.094 -0.130 0.000 1.049 159 V CA 1.699 63.830 62.300 -0.282 0.000 1.003 159 V CB -0.607 30.860 31.823 -0.593 0.000 0.634 159 V HN 0.415 nan 8.190 nan 0.000 0.444 160 L N -0.148 120.991 121.223 -0.141 0.000 2.633 160 L HA 0.057 4.397 4.340 -0.000 0.000 0.235 160 L C 1.873 178.698 176.870 -0.074 0.000 1.163 160 L CA 1.040 55.817 54.840 -0.106 0.000 0.859 160 L CB -0.560 41.388 42.059 -0.184 0.000 0.973 160 L HN 0.492 nan 8.230 nan 0.000 0.451 161 G N -2.216 106.565 108.800 -0.031 0.000 2.535 161 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.191 161 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.191 161 G C 0.742 175.876 174.900 0.390 0.000 1.242 161 G CA 0.009 45.172 45.100 0.104 0.000 0.797 161 G HN 0.134 nan 8.290 nan 0.000 0.863 162 F N 0.759 120.771 119.950 0.103 0.000 2.362 162 F HA 0.433 4.960 4.527 -0.000 0.000 0.264 162 F C 2.271 178.183 175.800 0.186 0.000 0.905 162 F CA 0.077 58.242 58.000 0.275 0.000 1.142 162 F CB -0.303 38.785 39.000 0.147 0.000 1.250 162 F HN -0.057 nan 8.300 nan 0.000 0.771 163 I N 0.726 121.388 120.570 0.152 0.000 2.127 163 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 163 I C 2.619 178.702 176.117 -0.058 0.000 1.075 163 I CA 1.835 63.137 61.300 0.003 0.000 1.334 163 I CB -0.633 37.416 38.000 0.081 0.000 1.040 163 I HN 0.163 nan 8.210 nan 0.000 0.405 164 R N 1.073 121.562 120.500 -0.020 0.000 2.070 164 R HA -0.145 4.195 4.340 -0.000 0.000 0.233 164 R C -0.340 175.935 176.300 -0.041 0.000 1.137 164 R CA 1.896 57.994 56.100 -0.004 0.000 0.945 164 R CB -1.235 29.102 30.300 0.061 0.000 0.845 164 R HN 0.176 nan 8.270 nan 0.000 0.430 165 P HA -0.219 nan 4.420 nan 0.000 0.217 165 P C 1.038 178.058 177.300 -0.466 0.000 1.148 165 P CA 1.230 64.216 63.100 -0.190 0.000 0.834 165 P CB -0.049 31.610 31.700 -0.067 0.000 0.783 166 I N -1.443 118.832 120.570 -0.492 0.000 2.202 166 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 166 I C 2.272 178.207 176.117 -0.303 0.000 1.091 166 I CA 1.501 62.490 61.300 -0.518 0.000 1.368 166 I CB -1.442 36.259 38.000 -0.497 0.000 1.058 166 I HN -0.005 nan 8.210 nan 0.000 0.410 167 L N -0.500 120.606 121.223 -0.194 0.000 2.131 167 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 167 L C 1.929 178.731 176.870 -0.113 0.000 1.092 167 L CA 1.224 55.994 54.840 -0.117 0.000 0.759 167 L CB -0.369 41.655 42.059 -0.059 0.000 0.903 167 L HN 0.209 nan 8.230 nan 0.000 0.435 168 M N -0.290 119.236 119.600 -0.124 0.000 2.626 168 M HA 0.198 4.678 4.480 -0.000 0.000 0.262 168 M C 1.079 177.291 176.300 -0.147 0.000 1.256 168 M CA 0.040 55.280 55.300 -0.101 0.000 0.981 168 M CB 0.291 32.862 32.600 -0.049 0.000 1.492 168 M HN 0.294 nan 8.290 nan 0.000 0.474 169 G N 1.322 109.997 108.800 -0.209 0.000 2.380 169 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.298 169 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.298 169 G C 0.067 174.801 174.900 -0.277 0.000 0.989 169 G CA 0.883 45.837 45.100 -0.243 0.000 0.836 169 G HN 0.527 nan 8.290 nan 0.000 0.511 170 S N -1.921 113.578 115.700 -0.334 0.000 2.668 170 S HA 0.428 4.897 4.470 -0.000 0.000 0.277 170 S C 0.580 174.987 174.600 -0.323 0.000 1.170 170 S CA -0.268 57.769 58.200 -0.273 0.000 0.994 170 S CB 0.467 63.593 63.200 -0.122 0.000 1.051 170 S HN 0.309 nan 8.310 nan 0.000 0.484 171 W N 2.722 123.951 121.300 -0.118 0.000 2.525 171 W HA -0.028 4.632 4.660 -0.000 0.000 0.259 171 W C 2.149 178.446 176.519 -0.370 0.000 1.253 171 W CA 0.480 57.704 57.345 -0.203 0.000 1.262 171 W CB 0.073 29.395 29.460 -0.229 0.000 1.122 171 W HN 0.661 nan 8.180 nan 0.000 0.607 172 S N 0.314 115.957 115.700 -0.094 0.000 2.469 172 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 172 S C 1.353 175.960 174.600 0.010 0.000 0.998 172 S CA 1.011 59.145 58.200 -0.109 0.000 0.957 172 S CB -0.265 62.899 63.200 -0.059 0.000 0.764 172 S HN 0.321 nan 8.310 nan 0.000 0.514 173 E N 1.321 121.559 120.200 0.064 0.000 2.427 173 E HA 0.176 4.526 4.350 -0.000 0.000 0.196 173 E C 0.858 177.680 176.600 0.370 0.000 1.028 173 E CA 0.158 56.691 56.400 0.221 0.000 0.864 173 E CB -0.198 29.597 29.700 0.158 0.000 0.813 173 E HN 0.535 nan 8.360 nan 0.000 0.514 174 A N 0.960 123.893 122.820 0.188 0.000 2.271 174 A HA 0.352 4.672 4.320 -0.000 0.000 0.288 174 A C 0.334 177.794 177.584 -0.207 0.000 1.094 174 A CA -0.554 51.554 52.037 0.117 0.000 0.828 174 A CB 0.748 19.950 19.000 0.336 0.000 1.091 174 A HN -0.038 nan 8.150 nan 0.000 0.493 175 V N 3.010 122.534 119.914 -0.651 0.000 2.529 175 V HA 0.207 4.327 4.120 -0.000 0.000 0.292 175 V C -1.765 174.062 176.094 -0.445 0.000 1.028 175 V CA -0.717 60.931 62.300 -1.087 0.000 1.074 175 V CB 0.419 31.654 31.823 -0.979 0.000 0.958 175 V HN 0.824 nan 8.190 nan 0.000 0.481 176 P HA 0.205 nan 4.420 nan 0.000 0.279 176 P C -1.226 176.026 177.300 -0.081 0.000 1.239 176 P CA -0.439 62.598 63.100 -0.106 0.000 0.789 176 P CB 0.512 32.225 31.700 0.022 0.000 0.933 177 Y N 1.342 121.815 120.300 0.289 0.000 2.402 177 Y HA 0.517 5.067 4.550 -0.000 0.000 0.333 177 Y C 1.558 177.577 175.900 0.198 0.000 1.076 177 Y CA 0.915 59.136 58.100 0.201 0.000 1.299 177 Y CB 0.209 38.761 38.460 0.153 0.000 1.197 177 Y HN 0.695 nan 8.280 nan 0.000 0.517 178 G N 2.395 111.363 108.800 0.280 0.000 2.386 178 G HA2 0.158 4.118 3.960 -0.000 0.000 0.302 178 G HA3 0.158 4.118 3.960 -0.000 0.000 0.302 178 G C -0.145 174.805 174.900 0.083 0.000 1.629 178 G CA -0.882 44.372 45.100 0.257 0.000 0.917 178 G HN 0.556 nan 8.290 nan 0.000 0.676 179 I N 0.596 121.103 120.570 -0.104 0.000 2.133 179 I HA -0.022 4.148 4.170 -0.000 0.000 0.238 179 I C 2.301 178.481 176.117 0.105 0.000 1.074 179 I CA 1.091 62.229 61.300 -0.270 0.000 1.342 179 I CB -0.201 37.262 38.000 -0.893 0.000 1.053 179 I HN 0.467 nan 8.210 nan 0.000 0.404 180 F N 1.288 121.174 119.950 -0.107 0.000 2.206 180 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 180 F C 2.878 178.743 175.800 0.108 0.000 1.090 180 F CA 0.809 58.813 58.000 0.008 0.000 1.323 180 F CB -1.387 37.566 39.000 -0.078 0.000 1.028 180 F HN 0.038 nan 8.300 nan 0.000 0.492 181 S N -0.308 115.576 115.700 0.306 0.000 2.372 181 S HA -0.303 4.166 4.470 -0.000 0.000 0.227 181 S C 2.079 176.855 174.600 0.293 0.000 1.044 181 S CA 1.799 60.158 58.200 0.264 0.000 1.050 181 S CB -1.005 62.333 63.200 0.229 0.000 0.901 181 S HN 0.595 nan 8.310 nan 0.000 0.447 182 H N 1.975 121.135 119.070 0.150 0.000 2.421 182 H HA 0.079 4.635 4.556 -0.000 0.000 0.298 182 H C 1.776 177.216 175.328 0.187 0.000 1.087 182 H CA 1.231 57.354 56.048 0.125 0.000 1.330 182 H CB -0.641 29.167 29.762 0.077 0.000 1.388 182 H HN 0.388 nan 8.280 nan 0.000 0.526 183 L N 0.338 121.640 121.223 0.133 0.000 2.156 183 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 183 L C 1.912 178.825 176.870 0.073 0.000 1.095 183 L CA 1.176 56.033 54.840 0.028 0.000 0.770 183 L CB -0.195 41.911 42.059 0.079 0.000 0.914 183 L HN 0.177 nan 8.230 nan 0.000 0.439 184 D N -1.054 119.427 120.400 0.135 0.000 2.240 184 D HA -0.147 4.493 4.640 -0.000 0.000 0.206 184 D C 1.737 178.147 176.300 0.184 0.000 0.963 184 D CA 0.547 54.620 54.000 0.121 0.000 0.863 184 D CB -0.067 40.802 40.800 0.114 0.000 0.973 184 D HN 0.352 nan 8.370 nan 0.000 0.501 185 W N 2.276 123.606 121.300 0.049 0.000 2.333 185 W HA -0.254 4.406 4.660 -0.000 0.000 0.316 185 W C 2.083 178.648 176.519 0.078 0.000 1.215 185 W CA 2.296 59.683 57.345 0.069 0.000 1.278 185 W CB -0.475 29.018 29.460 0.056 0.000 1.154 185 W HN -0.175 nan 8.180 nan 0.000 0.486 186 T N 0.605 115.427 114.554 0.447 0.000 2.699 186 T HA -0.353 3.996 4.350 -0.000 0.000 0.268 186 T C 1.375 176.117 174.700 0.070 0.000 1.036 186 T CA 1.961 64.203 62.100 0.236 0.000 1.147 186 T CB -0.700 68.269 68.868 0.169 0.000 0.862 186 T HN 0.335 nan 8.240 nan 0.000 0.446 187 N N 1.092 119.817 118.700 0.042 0.000 2.080 187 N HA -0.077 4.663 4.740 -0.000 0.000 0.189 187 N C 1.704 177.183 175.510 -0.052 0.000 1.036 187 N CA 1.404 54.444 53.050 -0.016 0.000 0.846 187 N CB -0.417 38.059 38.487 -0.018 0.000 1.015 187 N HN 0.181 nan 8.380 nan 0.000 0.423 188 N N -0.814 117.852 118.700 -0.057 0.000 2.272 188 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 188 N C 1.150 176.555 175.510 -0.176 0.000 1.014 188 N CA 0.623 53.603 53.050 -0.116 0.000 0.870 188 N CB -0.340 38.078 38.487 -0.114 0.000 0.975 188 N HN 0.257 nan 8.380 nan 0.000 0.433 189 F N 0.494 120.223 119.950 -0.369 0.000 2.171 189 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 189 F C 2.595 178.316 175.800 -0.133 0.000 1.090 189 F CA 1.023 58.812 58.000 -0.352 0.000 1.293 189 F CB -0.560 38.091 39.000 -0.581 0.000 1.013 189 F HN -0.018 nan 8.300 nan 0.000 0.486 190 S N 0.214 115.892 115.700 -0.036 0.000 2.363 190 S HA -0.217 4.253 4.470 -0.000 0.000 0.218 190 S C 2.081 176.595 174.600 -0.144 0.000 1.035 190 S CA 1.748 59.877 58.200 -0.119 0.000 1.043 190 S CB -0.695 62.390 63.200 -0.192 0.000 0.986 190 S HN 0.209 nan 8.310 nan 0.000 0.423 191 L N 1.986 123.110 121.223 -0.165 0.000 1.963 191 L HA -0.132 4.208 4.340 -0.000 0.000 0.220 191 L C 2.650 179.383 176.870 -0.229 0.000 1.076 191 L CA 2.386 57.126 54.840 -0.168 0.000 0.772 191 L CB -1.525 40.443 42.059 -0.151 0.000 0.892 191 L HN 0.539 nan 8.230 nan 0.000 0.435 192 V N -3.827 115.863 119.914 -0.373 0.000 3.383 192 V HA -0.144 3.976 4.120 -0.000 0.000 0.272 192 V C 1.415 177.087 176.094 -0.704 0.000 1.181 192 V CA 1.351 63.337 62.300 -0.523 0.000 1.171 192 V CB -1.074 30.358 31.823 -0.651 0.000 0.800 192 V HN 0.536 nan 8.190 nan 0.000 0.515 193 H N 0.769 119.719 119.070 -0.201 0.000 2.674 193 H HA 0.438 4.994 4.556 -0.000 0.000 0.274 193 H C 1.651 177.022 175.328 0.071 0.000 1.121 193 H CA 0.125 56.110 56.048 -0.105 0.000 1.132 193 H CB 0.596 30.288 29.762 -0.117 0.000 1.606 193 H HN 0.600 nan 8.280 nan 0.000 0.558 194 G N 2.605 111.457 108.800 0.087 0.000 2.326 194 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.286 194 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.286 194 G C -0.127 174.945 174.900 0.286 0.000 1.096 194 G CA 0.373 45.576 45.100 0.172 0.000 1.003 194 G HN 0.709 nan 8.290 nan 0.000 0.503 195 N N -1.150 117.606 118.700 0.094 0.000 2.568 195 N HA -0.163 4.577 4.740 -0.000 0.000 0.285 195 N C 0.945 176.395 175.510 -0.101 0.000 1.602 195 N CA 0.364 53.374 53.050 -0.067 0.000 1.043 195 N CB -0.406 38.051 38.487 -0.050 0.000 0.920 195 N HN 0.420 nan 8.380 nan 0.000 0.467 196 L N 3.597 124.644 121.223 -0.294 0.000 2.651 196 L HA -0.084 4.256 4.340 -0.000 0.000 0.236 196 L C 1.575 178.213 176.870 -0.386 0.000 1.173 196 L CA 1.171 55.767 54.840 -0.406 0.000 0.843 196 L CB -1.021 40.652 42.059 -0.643 0.000 0.964 196 L HN 0.528 nan 8.230 nan 0.000 0.454 197 F N -1.551 118.190 119.950 -0.348 0.000 2.367 197 F HA -0.102 4.424 4.527 -0.000 0.000 0.298 197 F C 1.989 177.652 175.800 -0.229 0.000 1.094 197 F CA 0.305 58.127 58.000 -0.295 0.000 1.409 197 F CB -0.909 37.852 39.000 -0.398 0.000 1.064 197 F HN 0.114 nan 8.300 nan 0.000 0.528 198 Y N -0.820 119.607 120.300 0.212 0.000 2.546 198 Y HA 0.025 4.575 4.550 -0.000 0.000 0.287 198 Y C 1.134 177.059 175.900 0.041 0.000 1.158 198 Y CA -0.460 57.769 58.100 0.215 0.000 1.307 198 Y CB -0.987 37.686 38.460 0.355 0.000 1.036 198 Y HN -0.102 nan 8.280 nan 0.000 0.532 199 N N 3.077 121.637 118.700 -0.235 0.000 2.401 199 N HA 0.017 4.757 4.740 -0.000 0.000 0.255 199 N C -1.786 173.389 175.510 -0.560 0.000 1.110 199 N CA -1.718 50.692 53.050 -1.066 0.000 0.949 199 N CB 1.238 38.819 38.487 -1.510 0.000 1.110 199 N HN 0.049 nan 8.380 nan 0.000 0.490 200 P HA -0.098 nan 4.420 nan 0.000 0.222 200 P C 1.004 178.141 177.300 -0.272 0.000 1.147 200 P CA 0.935 63.855 63.100 -0.300 0.000 0.790 200 P CB 0.089 31.626 31.700 -0.272 0.000 0.780 201 F N -0.425 119.394 119.950 -0.218 0.000 2.187 201 F HA -0.060 4.467 4.527 -0.000 0.000 0.295 201 F C 2.846 178.619 175.800 -0.046 0.000 1.091 201 F CA 0.713 58.664 58.000 -0.083 0.000 1.308 201 F CB -1.697 37.259 39.000 -0.074 0.000 1.030 201 F HN 0.084 nan 8.300 nan 0.000 0.487 202 H N 0.031 119.087 119.070 -0.023 0.000 2.421 202 H HA -0.095 4.460 4.556 -0.000 0.000 0.298 202 H C 2.263 177.588 175.328 -0.006 0.000 1.087 202 H CA 1.534 57.578 56.048 -0.008 0.000 1.330 202 H CB -0.380 29.348 29.762 -0.055 0.000 1.388 202 H HN 0.327 nan 8.280 nan 0.000 0.526 203 G N 0.688 109.522 108.800 0.056 0.000 2.448 203 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 203 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 203 G C 1.775 176.608 174.900 -0.111 0.000 1.135 203 G CA 0.495 45.572 45.100 -0.038 0.000 0.784 203 G HN 0.352 nan 8.290 nan 0.000 0.543 204 L N 0.758 121.959 121.223 -0.037 0.000 2.068 204 L HA 0.169 4.509 4.340 -0.000 0.000 0.204 204 L C 2.964 179.816 176.870 -0.030 0.000 1.076 204 L CA 1.684 56.495 54.840 -0.048 0.000 0.753 204 L CB -0.635 41.525 42.059 0.169 0.000 0.910 204 L HN 0.140 nan 8.230 nan 0.000 0.439 205 S N -0.288 115.474 115.700 0.104 0.000 2.370 205 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 205 S C 1.954 176.515 174.600 -0.064 0.000 1.033 205 S CA 1.809 60.087 58.200 0.129 0.000 1.011 205 S CB -0.435 62.788 63.200 0.038 0.000 0.852 205 S HN 0.437 nan 8.310 nan 0.000 0.457 206 I N 1.520 121.924 120.570 -0.275 0.000 2.361 206 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 206 I C 2.590 178.409 176.117 -0.496 0.000 1.133 206 I CA 0.960 61.970 61.300 -0.483 0.000 1.413 206 I CB -0.470 37.158 38.000 -0.619 0.000 1.073 206 I HN 0.253 nan 8.210 nan 0.000 0.424 207 A N 0.863 123.463 122.820 -0.367 0.000 1.933 207 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 207 A C 1.998 179.412 177.584 -0.283 0.000 1.175 207 A CA 1.584 53.416 52.037 -0.342 0.000 0.628 207 A CB -0.753 17.971 19.000 -0.459 0.000 0.814 207 A HN 0.336 nan 8.150 nan 0.000 0.444 208 F N -0.790 119.178 119.950 0.031 0.000 2.234 208 F HA 0.030 4.557 4.527 -0.000 0.000 0.296 208 F C 2.084 177.943 175.800 0.099 0.000 1.089 208 F CA 0.441 58.493 58.000 0.085 0.000 1.343 208 F CB -0.406 38.650 39.000 0.093 0.000 1.040 208 F HN 0.130 nan 8.300 nan 0.000 0.498 209 L N -0.767 120.590 121.223 0.222 0.000 1.994 209 L HA -0.251 4.088 4.340 -0.000 0.000 0.208 209 L C 2.375 179.423 176.870 0.297 0.000 1.071 209 L CA 2.076 57.042 54.840 0.210 0.000 0.745 209 L CB -0.914 41.218 42.059 0.122 0.000 0.892 209 L HN 0.104 nan 8.230 nan 0.000 0.431 210 Y N 0.529 120.872 120.300 0.071 0.000 2.128 210 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 210 Y C 2.705 178.646 175.900 0.069 0.000 1.154 210 Y CA 0.885 59.017 58.100 0.052 0.000 1.149 210 Y CB -1.549 36.918 38.460 0.012 0.000 0.976 210 Y HN 0.213 nan 8.280 nan 0.000 0.505 211 G N -1.163 107.787 108.800 0.249 0.000 2.442 211 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 211 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 211 G C 1.987 177.005 174.900 0.198 0.000 1.141 211 G CA 1.332 46.549 45.100 0.195 0.000 0.763 211 G HN 0.401 nan 8.290 nan 0.000 0.554 212 S N 0.889 116.726 115.700 0.228 0.000 2.371 212 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 212 S C 2.722 177.442 174.600 0.199 0.000 1.029 212 S CA 0.997 59.317 58.200 0.200 0.000 0.978 212 S CB -0.316 63.006 63.200 0.204 0.000 0.833 212 S HN 0.561 nan 8.310 nan 0.000 0.466 213 A N 0.951 123.887 122.820 0.193 0.000 2.121 213 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 213 A C 1.990 179.653 177.584 0.132 0.000 1.154 213 A CA 0.796 52.934 52.037 0.167 0.000 0.679 213 A CB -0.454 18.620 19.000 0.124 0.000 0.795 213 A HN 0.415 nan 8.150 nan 0.000 0.458 214 L N -1.014 120.276 121.223 0.113 0.000 2.007 214 L HA -0.005 4.334 4.340 -0.000 0.000 0.205 214 L C 2.164 179.071 176.870 0.061 0.000 1.073 214 L CA 1.858 56.740 54.840 0.069 0.000 0.744 214 L CB -0.638 41.451 42.059 0.051 0.000 0.898 214 L HN 0.269 nan 8.230 nan 0.000 0.435 215 L N -1.186 120.073 121.223 0.059 0.000 2.046 215 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 215 L C 2.306 179.243 176.870 0.112 0.000 1.077 215 L CA 1.786 56.630 54.840 0.007 0.000 0.747 215 L CB -0.972 41.084 42.059 -0.006 0.000 0.896 215 L HN 0.309 nan 8.230 nan 0.000 0.432 216 F N 0.154 120.138 119.950 0.057 0.000 2.186 216 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 216 F C 2.443 178.278 175.800 0.058 0.000 1.090 216 F CA 0.827 58.876 58.000 0.081 0.000 1.307 216 F CB -1.016 38.031 39.000 0.079 0.000 1.019 216 F HN 0.184 nan 8.300 nan 0.000 0.489 217 A N -0.478 122.497 122.820 0.258 0.000 2.019 217 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 217 A C 2.280 179.952 177.584 0.146 0.000 1.164 217 A CA 1.707 53.827 52.037 0.138 0.000 0.644 217 A CB -0.558 18.498 19.000 0.093 0.000 0.805 217 A HN 0.413 nan 8.150 nan 0.000 0.449 218 M N -2.695 116.994 119.600 0.148 0.000 2.240 218 M HA 0.009 4.489 4.480 -0.000 0.000 0.257 218 M C 2.293 178.724 176.300 0.219 0.000 1.107 218 M CA 1.469 56.862 55.300 0.155 0.000 1.169 218 M CB -0.644 31.890 32.600 -0.110 0.000 1.307 218 M HN 0.593 nan 8.290 nan 0.000 0.447 219 H N 0.635 119.742 119.070 0.061 0.000 2.267 219 H HA -0.175 4.381 4.556 -0.000 0.000 0.291 219 H C 1.858 177.283 175.328 0.161 0.000 1.094 219 H CA 2.312 58.403 56.048 0.070 0.000 1.227 219 H CB -0.920 28.835 29.762 -0.011 0.000 1.351 219 H HN 0.385 nan 8.280 nan 0.000 0.483 220 G N -0.153 108.752 108.800 0.174 0.000 2.545 220 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.217 220 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.217 220 G C 2.005 176.890 174.900 -0.025 0.000 1.218 220 G CA 1.952 47.060 45.100 0.015 0.000 0.787 220 G HN 0.694 nan 8.290 nan 0.000 0.571 221 A N -0.269 122.564 122.820 0.022 0.000 1.986 221 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 221 A C 2.510 180.083 177.584 -0.018 0.000 1.171 221 A CA 2.655 54.688 52.037 -0.006 0.000 0.640 221 A CB -0.923 18.092 19.000 0.025 0.000 0.811 221 A HN 0.360 nan 8.150 nan 0.000 0.451 222 T N -0.362 114.229 114.554 0.060 0.000 2.812 222 T HA -0.042 4.308 4.350 -0.000 0.000 0.264 222 T C 1.740 176.445 174.700 0.008 0.000 1.042 222 T CA 1.370 63.497 62.100 0.045 0.000 1.140 222 T CB -0.277 68.758 68.868 0.278 0.000 0.870 222 T HN 0.300 nan 8.240 nan 0.000 0.445 223 I N 0.961 121.525 120.570 -0.010 0.000 2.226 223 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 223 I C 1.803 177.893 176.117 -0.046 0.000 1.100 223 I CA 0.933 62.217 61.300 -0.027 0.000 1.374 223 I CB -0.502 37.447 38.000 -0.084 0.000 1.057 223 I HN 0.137 nan 8.210 nan 0.000 0.413 224 L N 0.000 121.178 121.223 -0.075 0.000 2.549 224 L HA -0.089 4.251 4.340 -0.000 0.000 0.230 224 L C 2.157 178.977 176.870 -0.083 0.000 1.162 224 L CA 1.368 56.154 54.840 -0.090 0.000 0.834 224 L CB -0.877 41.116 42.059 -0.110 0.000 0.947 224 L HN 0.237 nan 8.230 nan 0.000 0.452 225 A N -2.281 120.494 122.820 -0.075 0.000 2.140 225 A HA 0.158 4.478 4.320 -0.000 0.000 0.209 225 A C 1.770 179.346 177.584 -0.013 0.000 1.181 225 A CA 0.366 52.353 52.037 -0.082 0.000 0.824 225 A CB 0.187 19.094 19.000 -0.155 0.000 0.879 225 A HN 0.103 nan 8.150 nan 0.000 0.480 226 V N 1.150 121.082 119.914 0.031 0.000 3.214 226 V HA 0.012 4.131 4.120 -0.000 0.000 0.330 226 V C 1.977 178.142 176.094 0.119 0.000 1.403 226 V CA 1.046 63.453 62.300 0.180 0.000 1.143 226 V CB -0.124 31.781 31.823 0.137 0.000 1.098 226 V HN 0.727 nan 8.190 nan 0.000 0.463 227 S N 0.560 116.257 115.700 -0.005 0.000 2.399 227 S HA -0.231 4.239 4.470 -0.000 0.000 0.231 227 S C 1.930 176.472 174.600 -0.097 0.000 1.022 227 S CA 1.098 59.274 58.200 -0.040 0.000 0.983 227 S CB -0.432 62.726 63.200 -0.070 0.000 0.803 227 S HN 0.674 nan 8.310 nan 0.000 0.480 228 R N 0.564 120.930 120.500 -0.223 0.000 2.174 228 R HA -0.095 4.245 4.340 -0.000 0.000 0.253 228 R C 0.521 176.470 176.300 -0.586 0.000 1.165 228 R CA 1.771 57.575 56.100 -0.493 0.000 0.984 228 R CB -0.578 29.225 30.300 -0.828 0.000 0.873 228 R HN 0.563 nan 8.270 nan 0.000 0.456 229 F N -0.480 119.454 119.950 -0.027 0.000 2.850 229 F HA 0.364 4.891 4.527 -0.000 0.000 0.306 229 F C 1.174 176.963 175.800 -0.017 0.000 1.162 229 F CA -0.141 57.847 58.000 -0.020 0.000 1.327 229 F CB 0.749 39.736 39.000 -0.021 0.000 0.953 229 F HN 0.100 nan 8.300 nan 0.000 0.507 230 G N 0.537 109.377 108.800 0.066 0.000 2.225 230 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.267 230 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.267 230 G C 1.457 176.392 174.900 0.058 0.000 1.024 230 G CA 0.302 45.428 45.100 0.043 0.000 0.784 230 G HN 0.704 nan 8.290 nan 0.000 0.507 231 G N 1.363 110.213 108.800 0.084 0.000 2.529 231 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 231 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 231 G C 1.573 176.503 174.900 0.049 0.000 1.177 231 G CA 1.605 46.755 45.100 0.082 0.000 0.773 231 G HN 0.889 nan 8.290 nan 0.000 0.573 232 E N 0.949 121.160 120.200 0.019 0.000 2.284 232 E HA -0.224 4.126 4.350 -0.000 0.000 0.200 232 E C 2.246 178.849 176.600 0.005 0.000 1.008 232 E CA 1.015 57.416 56.400 0.002 0.000 0.829 232 E CB -0.503 29.180 29.700 -0.028 0.000 0.744 232 E HN 0.418 nan 8.360 nan 0.000 0.491 233 R N 0.720 121.225 120.500 0.008 0.000 2.293 233 R HA -0.097 4.243 4.340 -0.000 0.000 0.219 233 R C 1.346 177.645 176.300 -0.000 0.000 1.091 233 R CA 1.060 57.160 56.100 0.000 0.000 1.004 233 R CB -0.145 30.158 30.300 0.004 0.000 0.865 233 R HN 0.311 nan 8.270 nan 0.000 0.469 234 E N -0.925 119.287 120.200 0.020 0.000 4.080 234 E HA -0.397 3.953 4.350 -0.000 0.000 0.216 234 E C 1.357 177.951 176.600 -0.010 0.000 1.293 234 E CA 2.418 58.831 56.400 0.023 0.000 2.138 234 E CB -1.112 28.591 29.700 0.005 0.000 1.884 234 E HN 0.181 nan 8.360 nan 0.000 0.262 235 L N 1.001 122.198 121.223 -0.045 0.000 2.089 235 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 235 L C 2.498 179.355 176.870 -0.022 0.000 1.079 235 L CA 1.809 56.621 54.840 -0.047 0.000 0.758 235 L CB -0.419 41.605 42.059 -0.059 0.000 0.891 235 L HN 0.198 nan 8.230 nan 0.000 0.433 236 E N -0.466 119.727 120.200 -0.012 0.000 2.107 236 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 236 E C 2.220 178.824 176.600 0.006 0.000 0.982 236 E CA 0.789 57.187 56.400 -0.003 0.000 0.809 236 E CB 0.012 29.712 29.700 -0.000 0.000 0.756 236 E HN 0.558 nan 8.360 nan 0.000 0.459 237 Q N 0.098 119.907 119.800 0.014 0.000 2.167 237 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 237 Q C 2.398 178.410 176.000 0.021 0.000 0.970 237 Q CA 0.724 56.540 55.803 0.022 0.000 0.855 237 Q CB -0.112 28.648 28.738 0.036 0.000 0.911 237 Q HN 0.396 nan 8.270 nan 0.000 0.438 238 I N 0.444 121.023 120.570 0.016 0.000 2.226 238 I HA -0.216 3.953 4.170 -0.000 0.000 0.245 238 I C 2.062 178.185 176.117 0.010 0.000 1.100 238 I CA 1.170 62.479 61.300 0.015 0.000 1.374 238 I CB -0.278 37.721 38.000 -0.002 0.000 1.057 238 I HN 0.022 nan 8.210 nan 0.000 0.413 239 A N -0.959 121.863 122.820 0.003 0.000 2.251 239 A HA 0.039 4.359 4.320 -0.000 0.000 0.209 239 A C -0.053 177.535 177.584 0.006 0.000 1.187 239 A CA 0.529 52.568 52.037 0.003 0.000 0.823 239 A CB -0.078 18.920 19.000 -0.003 0.000 0.846 239 A HN 0.399 nan 8.150 nan 0.000 0.486 240 D N -1.194 119.211 120.400 0.009 0.000 2.229 240 D HA 0.087 4.727 4.640 -0.000 0.000 0.209 240 D C -0.612 175.695 176.300 0.011 0.000 1.295 240 D CA -0.293 53.712 54.000 0.009 0.000 0.913 240 D CB 0.481 41.286 40.800 0.008 0.000 1.581 240 D HN 0.185 nan 8.370 nan 0.000 0.502 241 R N 1.950 122.457 120.500 0.011 0.000 2.442 241 R HA 0.611 4.951 4.340 -0.000 0.000 0.291 241 R C 0.014 176.315 176.300 0.001 0.000 1.069 241 R CA 0.118 56.223 56.100 0.008 0.000 1.022 241 R CB 0.703 31.007 30.300 0.006 0.000 0.976 241 R HN 0.452 nan 8.270 nan 0.000 0.443 242 G N 1.023 109.822 108.800 -0.002 0.000 2.816 242 G HA2 0.169 4.129 3.960 -0.000 0.000 0.288 242 G HA3 0.169 4.129 3.960 -0.000 0.000 0.288 242 G C -1.099 173.773 174.900 -0.047 0.000 1.334 242 G CA -0.452 44.642 45.100 -0.011 0.000 0.978 242 G HN 0.467 nan 8.290 nan 0.000 0.493 243 T N 0.281 114.785 114.554 -0.083 0.000 2.761 243 T HA 0.452 4.802 4.350 -0.000 0.000 0.287 243 T C 0.886 175.471 174.700 -0.191 0.000 0.931 243 T CA 1.570 63.536 62.100 -0.222 0.000 1.164 243 T CB 0.149 68.842 68.868 -0.292 0.000 0.876 243 T HN 1.582 nan 8.240 nan 0.000 0.534 244 A N 4.238 126.945 122.820 -0.188 0.000 3.563 244 A HA 0.273 4.593 4.320 -0.000 0.000 0.200 244 A C 1.595 179.158 177.584 -0.035 0.000 1.301 244 A CA 0.611 52.621 52.037 -0.045 0.000 1.182 244 A CB -1.387 17.670 19.000 0.095 0.000 0.828 244 A HN 0.842 nan 8.150 nan 0.000 0.396 245 A N 0.025 122.834 122.820 -0.019 0.000 2.072 245 A HA 0.216 4.536 4.320 -0.000 0.000 0.216 245 A C 1.641 179.201 177.584 -0.040 0.000 1.156 245 A CA 1.908 53.945 52.037 0.000 0.000 0.701 245 A CB -0.319 18.695 19.000 0.024 0.000 0.816 245 A HN 0.653 nan 8.150 nan 0.000 0.458 246 E N -0.007 120.142 120.200 -0.085 0.000 2.046 246 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 246 E C 2.238 178.735 176.600 -0.173 0.000 0.982 246 E CA 0.912 57.244 56.400 -0.112 0.000 0.800 246 E CB -0.024 29.605 29.700 -0.118 0.000 0.756 246 E HN 0.564 nan 8.360 nan 0.000 0.449 247 R N -0.042 120.321 120.500 -0.228 0.000 2.073 247 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 247 R C 2.401 178.574 176.300 -0.211 0.000 1.120 247 R CA 0.884 56.817 56.100 -0.279 0.000 0.967 247 R CB -0.240 29.827 30.300 -0.388 0.000 0.862 247 R HN 0.118 nan 8.270 nan 0.000 0.436 248 A N 1.739 124.489 122.820 -0.117 0.000 1.908 248 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 248 A C 2.419 180.011 177.584 0.012 0.000 1.181 248 A CA 1.746 53.765 52.037 -0.031 0.000 0.627 248 A CB -0.692 18.348 19.000 0.066 0.000 0.818 248 A HN 0.386 nan 8.150 nan 0.000 0.445 249 A N 0.279 123.085 122.820 -0.024 0.000 1.859 249 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 249 A C 2.157 179.647 177.584 -0.157 0.000 1.198 249 A CA 1.792 53.809 52.037 -0.032 0.000 0.629 249 A CB -0.934 18.033 19.000 -0.054 0.000 0.830 249 A HN 0.557 nan 8.150 nan 0.000 0.446 250 L N -2.155 118.850 121.223 -0.364 0.000 2.079 250 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 250 L C 2.525 178.927 176.870 -0.781 0.000 1.081 250 L CA 1.812 56.157 54.840 -0.825 0.000 0.752 250 L CB -0.835 40.442 42.059 -1.304 0.000 0.896 250 L HN 0.460 nan 8.230 nan 0.000 0.433 251 F N 0.165 119.759 119.950 -0.594 0.000 2.069 251 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 251 F C 2.145 177.664 175.800 -0.469 0.000 1.113 251 F CA 1.525 59.188 58.000 -0.562 0.000 1.214 251 F CB -0.458 38.105 39.000 -0.729 0.000 0.978 251 F HN -0.048 nan 8.300 nan 0.000 0.474 252 W N 0.316 121.558 121.300 -0.096 0.000 2.418 252 W HA -0.058 4.602 4.660 -0.000 0.000 0.292 252 W C 2.777 179.174 176.519 -0.202 0.000 1.213 252 W CA 0.987 58.227 57.345 -0.175 0.000 1.283 252 W CB -0.452 28.918 29.460 -0.150 0.000 1.119 252 W HN -0.088 nan 8.180 nan 0.000 0.542 253 R N 0.016 120.532 120.500 0.027 0.000 2.080 253 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 253 R C 1.817 178.228 176.300 0.185 0.000 1.137 253 R CA 2.259 58.412 56.100 0.089 0.000 0.943 253 R CB -0.813 29.508 30.300 0.034 0.000 0.846 253 R HN 0.101 nan 8.270 nan 0.000 0.431 254 W N 0.377 121.617 121.300 -0.100 0.000 2.611 254 W HA 0.037 4.697 4.660 0.000 0.000 0.251 254 W C 1.779 178.178 176.519 -0.200 0.000 1.265 254 W CA 0.668 57.930 57.345 -0.138 0.000 1.295 254 W CB -0.766 28.594 29.460 -0.167 0.000 1.129 254 W HN 0.201 nan 8.180 nan 0.000 0.630 255 T N 0.259 114.764 114.554 -0.082 0.000 2.898 255 T HA -0.021 4.328 4.350 -0.000 0.000 0.241 255 T C 1.711 176.440 174.700 0.049 0.000 1.024 255 T CA 1.410 63.430 62.100 -0.134 0.000 1.174 255 T CB -0.165 68.477 68.868 -0.378 0.000 0.873 255 T HN 0.131 nan 8.240 nan 0.000 0.422 256 M N -0.463 119.223 119.600 0.143 0.000 2.313 256 M HA 0.572 5.052 4.480 -0.000 0.000 0.273 256 M C 1.317 177.784 176.300 0.278 0.000 1.049 256 M CA 0.388 55.811 55.300 0.204 0.000 1.004 256 M CB 0.990 33.736 32.600 0.244 0.000 1.461 256 M HN 0.374 nan 8.290 nan 0.000 0.514 257 G N 1.799 110.756 108.800 0.261 0.000 2.213 257 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.226 257 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.226 257 G C -0.190 174.952 174.900 0.403 0.000 0.992 257 G CA 0.180 45.442 45.100 0.270 0.000 0.632 257 G HN 0.768 nan 8.290 nan 0.000 0.511 258 F N 0.103 120.091 119.950 0.063 0.000 2.831 258 F HA 0.752 5.279 4.527 -0.000 0.000 0.318 258 F C -0.801 175.033 175.800 0.056 0.000 1.174 258 F CA -1.696 56.336 58.000 0.054 0.000 0.918 258 F CB 0.451 39.473 39.000 0.036 0.000 1.364 258 F HN 0.442 nan 8.300 nan 0.000 0.475 259 N N 0.531 119.156 118.700 -0.124 0.000 3.106 259 N HA 0.767 5.506 4.740 -0.000 0.000 0.253 259 N C -2.137 173.295 175.510 -0.129 0.000 1.506 259 N CA -1.168 51.755 53.050 -0.211 0.000 0.876 259 N CB 2.253 40.730 38.487 -0.018 0.000 1.452 259 N HN 1.091 nan 8.380 nan 0.000 0.542 260 A N 0.503 123.266 122.820 -0.096 0.000 2.408 260 A HA 0.528 4.848 4.320 -0.000 0.000 0.295 260 A C -0.440 177.175 177.584 0.052 0.000 1.040 260 A CA -0.496 51.551 52.037 0.016 0.000 0.707 260 A CB 1.432 20.416 19.000 -0.026 0.000 1.235 260 A HN 0.524 nan 8.150 nan 0.000 0.418 261 T N 2.992 117.601 114.554 0.091 0.000 2.891 261 T HA 0.001 4.351 4.350 -0.000 0.000 0.296 261 T C 1.708 176.465 174.700 0.094 0.000 1.025 261 T CA 0.814 62.964 62.100 0.083 0.000 1.149 261 T CB -0.023 68.897 68.868 0.087 0.000 1.007 261 T HN 0.727 nan 8.240 nan 0.000 0.528 262 M N 3.456 123.115 119.600 0.097 0.000 2.195 262 M HA -0.216 4.263 4.480 -0.000 0.000 0.254 262 M C 1.993 178.425 176.300 0.220 0.000 1.083 262 M CA 1.991 57.377 55.300 0.145 0.000 1.069 262 M CB -0.365 32.307 32.600 0.120 0.000 1.364 262 M HN 0.814 nan 8.290 nan 0.000 0.403 263 E N -1.519 118.772 120.200 0.153 0.000 2.086 263 E HA 0.048 4.397 4.350 -0.000 0.000 0.190 263 E C 2.021 178.726 176.600 0.176 0.000 0.975 263 E CA 1.430 57.918 56.400 0.148 0.000 0.813 263 E CB -1.142 28.598 29.700 0.067 0.000 0.768 263 E HN 0.454 nan 8.360 nan 0.000 0.457 264 G N 1.098 109.981 108.800 0.139 0.000 2.422 264 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.218 264 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.218 264 G C 1.589 176.602 174.900 0.188 0.000 1.146 264 G CA 0.895 46.081 45.100 0.143 0.000 0.769 264 G HN 0.375 nan 8.290 nan 0.000 0.547 265 I N 0.419 121.054 120.570 0.108 0.000 2.567 265 I HA -0.097 4.073 4.170 -0.000 0.000 0.257 265 I C 2.231 178.181 176.117 -0.278 0.000 1.184 265 I CA 1.125 62.395 61.300 -0.049 0.000 1.451 265 I CB -0.268 37.526 38.000 -0.343 0.000 1.089 265 I HN 0.265 nan 8.210 nan 0.000 0.441 266 H N -0.071 118.951 119.070 -0.080 0.000 2.470 266 H HA 0.123 4.679 4.556 -0.000 0.000 0.289 266 H C 2.128 177.447 175.328 -0.015 0.000 1.033 266 H CA 0.948 56.929 56.048 -0.112 0.000 1.331 266 H CB -0.062 29.635 29.762 -0.108 0.000 1.414 266 H HN 0.273 nan 8.280 nan 0.000 0.545 267 R N -0.413 120.173 120.500 0.145 0.000 2.115 267 R HA -0.138 4.202 4.340 -0.000 0.000 0.230 267 R C 1.442 177.890 176.300 0.245 0.000 1.111 267 R CA 1.237 57.474 56.100 0.229 0.000 0.976 267 R CB -0.393 30.016 30.300 0.182 0.000 0.870 267 R HN 0.394 nan 8.270 nan 0.000 0.445 268 W N 1.412 122.757 121.300 0.074 0.000 2.378 268 W HA -0.096 4.564 4.660 -0.000 0.000 0.313 268 W C 2.723 179.265 176.519 0.037 0.000 1.197 268 W CA 1.416 58.793 57.345 0.052 0.000 1.304 268 W CB -0.502 28.914 29.460 -0.072 0.000 1.148 268 W HN 0.141 nan 8.180 nan 0.000 0.494 269 A N 0.299 123.189 122.820 0.116 0.000 1.873 269 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 269 A C 1.970 179.546 177.584 -0.012 0.000 1.193 269 A CA 1.975 53.984 52.037 -0.046 0.000 0.629 269 A CB -1.175 17.664 19.000 -0.268 0.000 0.826 269 A HN 0.387 nan 8.150 nan 0.000 0.447 270 I N -1.968 118.585 120.570 -0.029 0.000 2.226 270 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 270 I C 2.421 178.483 176.117 -0.092 0.000 1.100 270 I CA 1.408 62.628 61.300 -0.133 0.000 1.374 270 I CB -0.193 37.613 38.000 -0.323 0.000 1.057 270 I HN 0.584 nan 8.210 nan 0.000 0.413 271 W N 0.646 121.947 121.300 0.002 0.000 2.381 271 W HA -0.214 4.445 4.660 -0.000 0.000 0.301 271 W C 2.552 179.059 176.519 -0.019 0.000 1.205 271 W CA 1.299 58.650 57.345 0.009 0.000 1.285 271 W CB -0.477 28.970 29.460 -0.021 0.000 1.133 271 W HN 0.222 nan 8.180 nan 0.000 0.521 272 M N 0.304 120.066 119.600 0.269 0.000 2.117 272 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 272 M C 2.258 178.634 176.300 0.127 0.000 1.065 272 M CA 2.543 57.987 55.300 0.241 0.000 1.114 272 M CB -0.391 32.384 32.600 0.290 0.000 1.361 272 M HN -0.117 nan 8.290 nan 0.000 0.408 273 A N -0.873 121.994 122.820 0.077 0.000 1.898 273 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 273 A C 2.048 179.644 177.584 0.021 0.000 1.181 273 A CA 1.722 53.794 52.037 0.059 0.000 0.620 273 A CB -1.096 17.924 19.000 0.033 0.000 0.819 273 A HN 0.381 nan 8.150 nan 0.000 0.442 274 V N -0.010 119.887 119.914 -0.028 0.000 2.407 274 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 274 V C 2.247 178.299 176.094 -0.070 0.000 1.055 274 V CA 1.718 63.997 62.300 -0.035 0.000 1.049 274 V CB -0.650 31.128 31.823 -0.076 0.000 0.662 274 V HN 0.557 nan 8.190 nan 0.000 0.455 275 L N -0.357 120.746 121.223 -0.200 0.000 2.675 275 L HA -0.028 4.312 4.340 -0.000 0.000 0.238 275 L C 1.886 178.547 176.870 -0.348 0.000 1.155 275 L CA 0.104 54.667 54.840 -0.460 0.000 0.881 275 L CB -0.174 41.207 42.059 -1.130 0.000 1.008 275 L HN 0.199 nan 8.230 nan 0.000 0.443 276 V N -1.091 118.798 119.914 -0.043 0.000 2.379 276 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 276 V C 2.460 178.622 176.094 0.113 0.000 1.035 276 V CA 2.160 64.539 62.300 0.132 0.000 1.035 276 V CB -0.393 31.521 31.823 0.152 0.000 0.673 276 V HN 0.620 nan 8.190 nan 0.000 0.457 277 T N -1.354 113.262 114.554 0.103 0.000 3.035 277 T HA 0.002 4.352 4.350 -0.000 0.000 0.259 277 T C 1.828 176.674 174.700 0.243 0.000 1.078 277 T CA 0.859 63.044 62.100 0.143 0.000 1.132 277 T CB -0.138 68.817 68.868 0.144 0.000 0.900 277 T HN 0.223 nan 8.240 nan 0.000 0.480 278 L N 2.435 123.774 121.223 0.193 0.000 1.976 278 L HA -0.019 4.321 4.340 -0.000 0.000 0.209 278 L C 2.423 179.424 176.870 0.218 0.000 1.071 278 L CA 2.157 57.119 54.840 0.203 0.000 0.746 278 L CB -1.518 40.529 42.059 -0.020 0.000 0.890 278 L HN 0.223 nan 8.230 nan 0.000 0.432 279 T N -0.152 114.453 114.554 0.085 0.000 2.622 279 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 279 T C 1.767 176.487 174.700 0.032 0.000 1.047 279 T CA 1.519 63.650 62.100 0.052 0.000 1.159 279 T CB -1.340 67.662 68.868 0.222 0.000 0.863 279 T HN 0.593 nan 8.240 nan 0.000 0.422 280 G N 1.058 109.918 108.800 0.100 0.000 2.469 280 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 280 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 280 G C 1.715 176.601 174.900 -0.023 0.000 1.150 280 G CA 1.151 46.288 45.100 0.062 0.000 0.763 280 G HN 0.600 nan 8.290 nan 0.000 0.561 281 G N 0.952 109.715 108.800 -0.063 0.000 2.421 281 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 281 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 281 G C 1.784 176.484 174.900 -0.332 0.000 1.171 281 G CA 0.838 45.613 45.100 -0.541 0.000 0.775 281 G HN 0.458 nan 8.290 nan 0.000 0.543 282 I N 1.366 122.013 120.570 0.130 0.000 2.179 282 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 282 I C 3.129 179.191 176.117 -0.093 0.000 1.088 282 I CA 0.966 62.288 61.300 0.036 0.000 1.357 282 I CB -0.709 37.080 38.000 -0.352 0.000 1.051 282 I HN 0.242 nan 8.210 nan 0.000 0.409 283 G N 1.931 110.639 108.800 -0.155 0.000 2.553 283 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.218 283 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.218 283 G C 1.502 176.484 174.900 0.137 0.000 1.195 283 G CA 0.958 46.124 45.100 0.110 0.000 0.779 283 G HN 0.252 nan 8.290 nan 0.000 0.577 284 I N 0.417 121.025 120.570 0.062 0.000 2.761 284 I HA 0.052 4.221 4.170 -0.000 0.000 0.261 284 I C 2.515 178.685 176.117 0.089 0.000 1.198 284 I CA 0.318 61.688 61.300 0.116 0.000 1.482 284 I CB -0.886 37.132 38.000 0.029 0.000 1.100 284 I HN 0.130 nan 8.210 nan 0.000 0.445 285 L N 0.533 121.756 121.223 0.001 0.000 2.191 285 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 285 L C 2.080 179.011 176.870 0.102 0.000 1.103 285 L CA 1.670 56.520 54.840 0.016 0.000 0.769 285 L CB -0.306 41.760 42.059 0.011 0.000 0.908 285 L HN 0.071 nan 8.230 nan 0.000 0.438 286 L N -1.492 119.840 121.223 0.181 0.000 2.249 286 L HA 0.145 4.484 4.340 -0.000 0.000 0.207 286 L C 1.223 178.185 176.870 0.153 0.000 1.090 286 L CA 0.541 55.507 54.840 0.211 0.000 0.802 286 L CB -0.927 41.360 42.059 0.379 0.000 0.947 286 L HN 0.022 nan 8.230 nan 0.000 0.453 287 S N 0.071 115.915 115.700 0.240 0.000 2.498 287 S HA 0.393 4.863 4.470 -0.000 0.000 0.281 287 S C 1.340 175.770 174.600 -0.284 0.000 1.265 287 S CA 0.442 58.678 58.200 0.060 0.000 1.071 287 S CB 0.439 63.731 63.200 0.154 0.000 0.894 287 S HN 0.595 nan 8.310 nan 0.000 0.491 288 G N 3.158 111.718 108.800 -0.401 0.000 2.458 288 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.237 288 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.237 288 G C 1.209 176.071 174.900 -0.065 0.000 1.113 288 G CA 1.154 46.157 45.100 -0.161 0.000 0.655 288 G HN 0.927 nan 8.290 nan 0.000 0.513 289 T N -2.001 112.528 114.554 -0.043 0.000 3.014 289 T HA 0.414 4.764 4.350 -0.000 0.000 0.263 289 T C 2.060 176.742 174.700 -0.030 0.000 1.078 289 T CA 2.206 64.294 62.100 -0.019 0.000 1.135 289 T CB 0.346 69.219 68.868 0.007 0.000 0.895 289 T HN 0.725 nan 8.240 nan 0.000 0.480 290 V N 0.049 119.931 119.914 -0.053 0.000 3.058 290 V HA 0.353 4.473 4.120 -0.000 0.000 0.233 290 V C 0.474 176.481 176.094 -0.145 0.000 1.255 290 V CA -0.092 62.173 62.300 -0.058 0.000 1.267 290 V CB 1.046 32.866 31.823 -0.005 0.000 1.049 290 V HN 0.307 nan 8.190 nan 0.000 0.486 291 V N 1.591 121.318 119.914 -0.312 0.000 2.347 291 V HA 0.319 4.439 4.120 -0.000 0.000 0.280 291 V C 0.637 176.452 176.094 -0.465 0.000 1.021 291 V CA 0.045 62.011 62.300 -0.558 0.000 0.847 291 V CB 1.210 32.193 31.823 -1.400 0.000 0.990 291 V HN 0.425 nan 8.190 nan 0.000 0.444 292 D N 3.634 123.883 120.400 -0.252 0.000 2.327 292 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 292 D C 0.678 176.935 176.300 -0.072 0.000 0.989 292 D CA 0.622 54.567 54.000 -0.091 0.000 0.873 292 D CB 0.383 41.148 40.800 -0.059 0.000 0.955 292 D HN 0.506 nan 8.370 nan 0.000 0.515 293 N N -0.112 118.499 118.700 -0.147 0.000 2.461 293 N HA 0.052 4.792 4.740 -0.000 0.000 0.284 293 N C -0.409 175.072 175.510 -0.048 0.000 1.049 293 N CA -0.440 52.601 53.050 -0.015 0.000 0.889 293 N CB 0.561 39.074 38.487 0.044 0.000 1.365 293 N HN 0.053 nan 8.380 nan 0.000 0.499 294 W N 2.232 123.632 121.300 0.166 0.000 2.518 294 W HA -0.014 4.645 4.660 -0.000 0.000 0.273 294 W C 1.748 178.446 176.519 0.297 0.000 1.247 294 W CA 0.166 57.627 57.345 0.193 0.000 1.288 294 W CB -0.231 29.311 29.460 0.137 0.000 1.107 294 W HN 0.680 nan 8.180 nan 0.000 0.586 295 Y N 0.887 121.361 120.300 0.291 0.000 2.097 295 Y HA -0.334 4.216 4.550 -0.000 0.000 0.282 295 Y C 2.242 178.146 175.900 0.006 0.000 1.152 295 Y CA 2.294 60.385 58.100 -0.015 0.000 1.136 295 Y CB -0.953 37.470 38.460 -0.062 0.000 0.975 295 Y HN -0.217 nan 8.280 nan 0.000 0.498 296 V N -0.381 119.520 119.914 -0.021 0.000 2.255 296 V HA -0.353 3.767 4.120 -0.000 0.000 0.247 296 V C 2.150 178.192 176.094 -0.086 0.000 1.051 296 V CA 2.158 64.385 62.300 -0.121 0.000 1.018 296 V CB -1.290 30.543 31.823 0.016 0.000 0.641 296 V HN 0.751 nan 8.190 nan 0.000 0.445 297 W N 1.192 122.422 121.300 -0.116 0.000 2.304 297 W HA -0.211 4.449 4.660 -0.000 0.000 0.315 297 W C 2.307 178.841 176.519 0.025 0.000 1.233 297 W CA 2.294 59.611 57.345 -0.045 0.000 1.261 297 W CB -0.719 28.735 29.460 -0.011 0.000 1.150 297 W HN 0.263 nan 8.180 nan 0.000 0.494 298 G N -0.422 108.617 108.800 0.399 0.000 2.433 298 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 298 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 298 G C 1.367 176.193 174.900 -0.125 0.000 1.186 298 G CA 1.075 46.349 45.100 0.290 0.000 0.779 298 G HN 0.264 nan 8.290 nan 0.000 0.543 299 Q N 0.663 120.239 119.800 -0.374 0.000 2.439 299 Q HA -0.001 4.339 4.340 -0.000 0.000 0.211 299 Q C 1.430 177.194 176.000 -0.395 0.000 0.978 299 Q CA 0.321 55.872 55.803 -0.420 0.000 0.897 299 Q CB -0.278 28.149 28.738 -0.519 0.000 0.956 299 Q HN 0.539 nan 8.270 nan 0.000 0.483 300 N N 0.923 119.292 118.700 -0.551 0.000 2.416 300 N HA -0.019 4.721 4.740 -0.000 0.000 0.215 300 N C -0.428 174.390 175.510 -1.153 0.000 1.208 300 N CA 0.294 52.909 53.050 -0.725 0.000 0.834 300 N CB 0.289 38.329 38.487 -0.745 0.000 1.072 300 N HN 0.268 nan 8.380 nan 0.000 0.472 301 H N 0.000 118.932 119.070 -0.230 0.000 2.539 301 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 301 H CA 0.000 55.943 56.048 -0.175 0.000 1.023 301 H CB 0.000 29.646 29.762 -0.193 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496