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 3lh9_1_A DATA FIRST_RESID 9 DATA SEQUENCE SVEVEILLND AESRKRAEHK TEDGKKEKYF LFYDGETVSG KVSLSLKNPN DATA SEQUENCE KRLEHQGIKI EFIGQIELYY DRGNHHEFVS LVKDLARPGE ITQSQAFDFE DATA SEQUENCE FTHVEKPYES YTGQNVKLRY FLRATISRRL NDVVKEMDIV VHTLSTYPXX DATA SEQUENCE XSSIKMEVGI EDCLHIEFEY NKSKYHLKDV IVGKIYFLSV EIKIKHMEID DATA SEQUENCE IIKRETTGTG PNVYHENDTI AKYEIMDGAP VRGESIPIRL FLAGYELTPT DATA SEQUENCE MRDINKKFSV RYYLNLVLID EEERRYFKQQ EVVLWRKGD 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.620 174.600 0.034 0.000 1.055 9 S CA 0.000 58.216 58.200 0.026 0.000 1.107 9 S CB 0.000 63.216 63.200 0.027 0.000 0.593 10 V N 2.422 122.358 119.914 0.036 0.000 2.638 10 V HA 0.669 4.787 4.120 -0.004 0.000 0.306 10 V C -1.188 174.931 176.094 0.040 0.000 1.052 10 V CA -0.640 61.686 62.300 0.044 0.000 0.885 10 V CB 1.624 33.479 31.823 0.055 0.000 0.999 10 V HN 0.407 nan 8.190 nan 0.000 0.424 11 E N 2.325 122.551 120.200 0.043 0.000 2.073 11 E HA 0.534 4.881 4.350 -0.004 0.000 0.269 11 E C -0.976 175.657 176.600 0.054 0.000 0.917 11 E CA -0.395 56.031 56.400 0.043 0.000 0.757 11 E CB 1.939 31.661 29.700 0.038 0.000 1.111 11 E HN 0.596 nan 8.360 nan 0.000 0.410 12 V N 3.778 123.725 119.914 0.055 0.000 2.461 12 V HA 0.221 4.339 4.120 -0.004 0.000 0.275 12 V C 0.197 176.337 176.094 0.077 0.000 1.047 12 V CA -0.300 62.041 62.300 0.069 0.000 0.955 12 V CB 1.119 32.975 31.823 0.056 0.000 0.988 12 V HN 0.650 nan 8.190 nan 0.000 0.471 13 E N 4.057 124.315 120.200 0.097 0.000 2.238 13 E HA 0.577 4.924 4.350 -0.004 0.000 0.267 13 E C -1.193 175.495 176.600 0.146 0.000 0.887 13 E CA -0.739 55.727 56.400 0.110 0.000 0.769 13 E CB 2.740 32.500 29.700 0.100 0.000 1.187 13 E HN 0.556 nan 8.360 nan 0.000 0.416 14 I N 3.912 124.583 120.570 0.168 0.000 2.321 14 I HA 0.316 4.483 4.170 -0.004 0.000 0.291 14 I C -0.647 175.608 176.117 0.229 0.000 0.998 14 I CA -0.496 60.940 61.300 0.228 0.000 1.227 14 I CB 0.636 38.774 38.000 0.229 0.000 1.368 14 I HN 0.243 nan 8.210 nan 0.000 0.466 15 L N 7.172 128.527 121.223 0.220 0.000 2.376 15 L HA 0.538 4.875 4.340 -0.004 0.000 0.275 15 L C -0.557 176.346 176.870 0.055 0.000 0.987 15 L CA -0.516 54.402 54.840 0.131 0.000 0.828 15 L CB 1.814 43.926 42.059 0.088 0.000 1.249 15 L HN 0.429 nan 8.230 nan 0.000 0.409 16 L N 2.553 123.758 121.223 -0.030 0.000 2.375 16 L HA 0.375 4.712 4.340 -0.004 0.000 0.271 16 L C 0.186 176.964 176.870 -0.153 0.000 1.107 16 L CA -0.850 53.916 54.840 -0.124 0.000 0.806 16 L CB 0.758 42.660 42.059 -0.262 0.000 1.146 16 L HN 0.567 nan 8.230 nan 0.000 0.447 17 N N 2.455 121.057 118.700 -0.163 0.000 2.412 17 N HA -0.056 4.681 4.740 -0.004 0.000 0.258 17 N C -0.130 175.302 175.510 -0.129 0.000 1.236 17 N CA 0.468 53.436 53.050 -0.136 0.000 0.882 17 N CB 0.135 38.539 38.487 -0.138 0.000 1.066 17 N HN 0.584 nan 8.380 nan 0.000 0.465 18 D N -0.475 119.866 120.400 -0.097 0.000 2.746 18 D HA -0.221 4.417 4.640 -0.004 0.000 0.236 18 D C 0.891 177.128 176.300 -0.106 0.000 1.129 18 D CA 0.747 54.697 54.000 -0.082 0.000 0.691 18 D CB -1.134 39.617 40.800 -0.082 0.000 1.077 18 D HN 0.625 nan 8.370 nan 0.000 0.432 19 A N 1.430 124.186 122.820 -0.108 0.000 1.852 19 A HA -0.275 4.043 4.320 -0.004 0.000 0.217 19 A C 2.077 179.730 177.584 0.115 0.000 1.215 19 A CA 2.179 54.156 52.037 -0.100 0.000 0.641 19 A CB -0.238 18.780 19.000 0.030 0.000 0.838 19 A HN 0.421 nan 8.150 nan 0.000 0.450 20 E N 0.349 120.614 120.200 0.107 0.000 2.511 20 E HA -0.002 4.345 4.350 -0.004 0.000 0.196 20 E C 1.420 178.065 176.600 0.075 0.000 1.066 20 E CA 1.144 57.615 56.400 0.118 0.000 0.871 20 E CB -0.568 29.179 29.700 0.079 0.000 0.863 20 E HN 0.484 nan 8.360 nan 0.000 0.520 21 S N 0.439 116.165 115.700 0.043 0.000 2.492 21 S HA 0.040 4.508 4.470 -0.004 0.000 0.218 21 S C 0.944 175.553 174.600 0.015 0.000 1.016 21 S CA -0.346 57.865 58.200 0.018 0.000 0.916 21 S CB -0.022 63.173 63.200 -0.008 0.000 0.791 21 S HN 0.415 nan 8.310 nan 0.000 0.513 22 R N 1.971 122.484 120.500 0.021 0.000 2.536 22 R HA 0.431 4.769 4.340 -0.004 0.000 0.279 22 R C -0.242 176.096 176.300 0.064 0.000 1.001 22 R CA -0.915 55.178 56.100 -0.012 0.000 1.027 22 R CB 0.507 30.723 30.300 -0.140 0.000 1.096 22 R HN 0.096 nan 8.270 nan 0.000 0.502 23 K N 3.166 123.574 120.400 0.012 0.000 2.484 23 K HA 0.089 4.407 4.320 -0.004 0.000 0.280 23 K C -0.625 176.008 176.600 0.054 0.000 1.013 23 K CA -0.121 56.185 56.287 0.030 0.000 1.029 23 K CB 0.547 33.056 32.500 0.016 0.000 0.902 23 K HN 0.535 nan 8.250 nan 0.000 0.481 24 R N 1.032 121.556 120.500 0.039 0.000 2.606 24 R HA 0.690 5.028 4.340 -0.004 0.000 0.249 24 R C -0.381 175.925 176.300 0.009 0.000 1.127 24 R CA -0.835 55.261 56.100 -0.006 0.000 1.133 24 R CB 1.415 31.662 30.300 -0.089 0.000 1.243 24 R HN 0.853 nan 8.270 nan 0.000 0.558 25 A N 0.374 123.214 122.820 0.033 0.000 2.594 25 A HA 0.293 4.610 4.320 -0.004 0.000 0.296 25 A C -1.287 176.403 177.584 0.176 0.000 1.061 25 A CA -0.667 51.428 52.037 0.096 0.000 0.689 25 A CB 1.530 20.542 19.000 0.020 0.000 1.280 25 A HN 0.674 nan 8.150 nan 0.000 0.406 26 E N 0.357 120.677 120.200 0.200 0.000 2.283 26 E HA 0.505 4.853 4.350 -0.004 0.000 0.278 26 E C -1.046 175.765 176.600 0.352 0.000 1.027 26 E CA -0.063 56.466 56.400 0.215 0.000 0.843 26 E CB 0.610 30.391 29.700 0.135 0.000 1.062 26 E HN 0.674 nan 8.360 nan 0.000 0.401 27 H N 2.197 121.440 119.070 0.289 0.000 2.954 27 H HA 0.270 4.823 4.556 -0.004 0.000 0.361 27 H C -1.314 174.159 175.328 0.242 0.000 1.122 27 H CA -0.813 55.397 56.048 0.270 0.000 1.217 27 H CB 1.107 31.011 29.762 0.235 0.000 1.776 27 H HN 0.307 nan 8.280 nan 0.000 0.533 28 K N 2.890 123.141 120.400 -0.250 0.000 2.249 28 K HA 0.236 4.554 4.320 -0.004 0.000 0.280 28 K C -0.120 176.451 176.600 -0.049 0.000 1.033 28 K CA -0.148 56.072 56.287 -0.112 0.000 0.946 28 K CB 0.600 33.006 32.500 -0.157 0.000 1.005 28 K HN 0.778 nan 8.250 nan 0.000 0.469 29 T N -0.212 114.379 114.554 0.061 0.000 2.884 29 T HA 0.181 4.529 4.350 -0.004 0.000 0.277 29 T C 1.089 175.799 174.700 0.016 0.000 0.976 29 T CA -0.591 61.555 62.100 0.078 0.000 0.956 29 T CB 1.015 69.957 68.868 0.123 0.000 1.113 29 T HN 0.614 nan 8.240 nan 0.000 0.554 30 E N 0.621 120.826 120.200 0.008 0.000 2.160 30 E HA -0.185 4.163 4.350 -0.004 0.000 0.195 30 E C 1.661 178.252 176.600 -0.016 0.000 0.991 30 E CA 1.589 57.984 56.400 -0.009 0.000 0.810 30 E CB -0.192 29.475 29.700 -0.055 0.000 0.742 30 E HN 0.808 nan 8.360 nan 0.000 0.466 31 D N -0.752 119.638 120.400 -0.017 0.000 2.263 31 D HA -0.099 4.539 4.640 -0.004 0.000 0.208 31 D C 1.417 177.712 176.300 -0.008 0.000 0.971 31 D CA 1.162 55.153 54.000 -0.016 0.000 0.867 31 D CB -0.304 40.487 40.800 -0.014 0.000 0.929 31 D HN 0.297 nan 8.370 nan 0.000 0.492 32 G N -0.541 108.255 108.800 -0.007 0.000 2.179 32 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.220 32 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.220 32 G C 0.078 174.977 174.900 -0.002 0.000 0.990 32 G CA -0.050 45.046 45.100 -0.008 0.000 0.646 32 G HN 0.443 nan 8.290 nan 0.000 0.517 33 K N 0.410 120.813 120.400 0.005 0.000 2.118 33 K HA 0.583 4.901 4.320 -0.004 0.000 0.267 33 K C 0.236 176.853 176.600 0.028 0.000 0.991 33 K CA -0.512 55.782 56.287 0.012 0.000 0.916 33 K CB 1.360 33.866 32.500 0.009 0.000 1.041 33 K HN 0.088 nan 8.250 nan 0.000 0.455 34 K N 1.313 121.729 120.400 0.026 0.000 2.090 34 K HA 0.263 4.580 4.320 -0.004 0.000 0.249 34 K C -0.693 175.927 176.600 0.032 0.000 0.995 34 K CA -0.281 56.033 56.287 0.045 0.000 0.914 34 K CB 1.110 33.631 32.500 0.034 0.000 1.057 34 K HN 0.555 nan 8.250 nan 0.000 0.462 35 E N 0.024 120.248 120.200 0.040 0.000 2.403 35 E HA 0.185 4.532 4.350 -0.004 0.000 0.280 35 E C -1.848 174.635 176.600 -0.196 0.000 1.101 35 E CA -0.678 55.657 56.400 -0.107 0.000 0.856 35 E CB 0.889 30.485 29.700 -0.173 0.000 1.303 35 E HN 0.329 nan 8.360 nan 0.000 0.441 36 K N 1.523 121.698 120.400 -0.375 0.000 2.118 36 K HA 0.608 4.925 4.320 -0.004 0.000 0.254 36 K C -1.087 175.135 176.600 -0.629 0.000 0.961 36 K CA -0.746 55.353 56.287 -0.313 0.000 0.876 36 K CB 1.258 33.645 32.500 -0.188 0.000 1.077 36 K HN 0.392 nan 8.250 nan 0.000 0.440 37 Y N -0.215 120.022 120.300 -0.105 0.000 2.597 37 Y HA 0.310 4.858 4.550 -0.004 0.000 0.340 37 Y C -0.463 175.344 175.900 -0.156 0.000 1.097 37 Y CA -1.100 56.921 58.100 -0.133 0.000 1.037 37 Y CB 0.930 39.392 38.460 0.002 0.000 1.305 37 Y HN 0.342 nan 8.280 nan 0.000 0.463 38 F N 2.382 122.482 119.950 0.250 0.000 2.529 38 F HA 0.236 4.761 4.527 -0.004 0.000 0.365 38 F C 0.110 175.979 175.800 0.116 0.000 1.102 38 F CA -0.099 57.991 58.000 0.151 0.000 1.271 38 F CB 0.241 39.388 39.000 0.245 0.000 1.120 38 F HN 0.188 nan 8.300 nan 0.000 0.579 39 L N 4.844 126.116 121.223 0.082 0.000 2.295 39 L HA 0.598 4.935 4.340 -0.004 0.000 0.285 39 L C -1.315 175.335 176.870 -0.366 0.000 1.035 39 L CA -0.243 54.507 54.840 -0.150 0.000 0.806 39 L CB 0.308 42.199 42.059 -0.279 0.000 1.214 39 L HN 0.420 nan 8.230 nan 0.000 0.426 40 F N 3.364 123.120 119.950 -0.324 0.000 2.631 40 F HA 0.599 5.123 4.527 -0.005 0.000 0.328 40 F C -0.888 174.617 175.800 -0.491 0.000 1.067 40 F CA -0.437 57.384 58.000 -0.298 0.000 0.969 40 F CB 1.739 40.654 39.000 -0.143 0.000 1.332 40 F HN 0.278 nan 8.300 nan 0.000 0.490 41 Y N -0.330 120.072 120.300 0.169 0.000 2.562 41 Y HA 0.289 4.836 4.550 -0.004 0.000 0.343 41 Y C -0.282 175.659 175.900 0.068 0.000 1.025 41 Y CA -1.303 56.856 58.100 0.098 0.000 1.082 41 Y CB 0.872 39.377 38.460 0.074 0.000 1.264 41 Y HN 0.425 nan 8.280 nan 0.000 0.478 42 D N 0.422 120.956 120.400 0.223 0.000 2.548 42 D HA 0.228 4.865 4.640 -0.004 0.000 0.231 42 D C 1.130 177.491 176.300 0.103 0.000 1.142 42 D CA 2.538 56.607 54.000 0.116 0.000 0.866 42 D CB 0.633 41.492 40.800 0.099 0.000 1.190 42 D HN 0.799 nan 8.370 nan 0.000 0.469 43 G N 3.513 112.347 108.800 0.056 0.000 2.900 43 G HA2 -0.311 3.646 3.960 -0.004 0.000 0.223 43 G HA3 -0.311 3.646 3.960 -0.004 0.000 0.223 43 G C 0.164 175.085 174.900 0.036 0.000 1.293 43 G CA 0.302 45.434 45.100 0.054 0.000 0.792 43 G HN 0.661 nan 8.290 nan 0.000 0.527 44 E N 2.286 122.536 120.200 0.083 0.000 2.829 44 E HA 0.194 4.542 4.350 -0.004 0.000 0.264 44 E C 0.478 177.106 176.600 0.045 0.000 0.922 44 E CA 0.911 57.376 56.400 0.107 0.000 0.960 44 E CB 0.140 29.993 29.700 0.255 0.000 0.918 44 E HN 0.360 nan 8.360 nan 0.000 0.497 45 T N 2.220 116.784 114.554 0.017 0.000 2.946 45 T HA 0.103 4.450 4.350 -0.004 0.000 0.311 45 T C -0.041 174.707 174.700 0.079 0.000 1.063 45 T CA -0.239 61.854 62.100 -0.011 0.000 1.139 45 T CB 0.491 69.334 68.868 -0.041 0.000 0.994 45 T HN 0.148 nan 8.240 nan 0.000 0.547 46 V N 4.229 124.160 119.914 0.028 0.000 2.326 46 V HA 0.564 4.682 4.120 -0.004 0.000 0.281 46 V C -0.013 176.197 176.094 0.192 0.000 1.015 46 V CA -0.746 61.603 62.300 0.082 0.000 0.823 46 V CB 1.065 32.777 31.823 -0.185 0.000 1.009 46 V HN 1.063 nan 8.190 nan 0.000 0.436 47 S N 2.894 118.626 115.700 0.053 0.000 2.569 47 S HA 1.024 5.491 4.470 -0.004 0.000 0.280 47 S C -0.176 174.136 174.600 -0.479 0.000 1.111 47 S CA -0.017 58.023 58.200 -0.267 0.000 0.887 47 S CB 2.638 65.703 63.200 -0.225 0.000 1.095 47 S HN 1.253 nan 8.310 nan 0.000 0.476 48 G N 1.142 109.273 108.800 -1.115 0.000 2.485 48 G HA2 0.616 4.574 3.960 -0.004 0.000 0.182 48 G HA3 0.616 4.574 3.960 -0.004 0.000 0.182 48 G C -2.087 172.295 174.900 -0.862 0.000 1.172 48 G CA -0.507 44.133 45.100 -0.768 0.000 0.996 48 G HN 1.117 nan 8.290 nan 0.000 0.496 49 K N -1.161 119.070 120.400 -0.281 0.000 2.551 49 K HA 0.713 5.031 4.320 -0.004 0.000 0.269 49 K C -1.635 175.192 176.600 0.377 0.000 0.949 49 K CA -0.918 55.415 56.287 0.076 0.000 0.849 49 K CB 2.412 34.921 32.500 0.016 0.000 1.411 49 K HN 0.427 nan 8.250 nan 0.000 0.432 50 V N 1.677 121.851 119.914 0.432 0.000 2.383 50 V HA 0.269 4.387 4.120 -0.004 0.000 0.275 50 V C -0.482 175.782 176.094 0.283 0.000 1.036 50 V CA -0.507 61.993 62.300 0.333 0.000 0.889 50 V CB 1.262 33.249 31.823 0.273 0.000 0.985 50 V HN 0.798 nan 8.190 nan 0.000 0.459 51 S N 5.639 121.452 115.700 0.189 0.000 2.429 51 S HA 0.647 5.114 4.470 -0.004 0.000 0.302 51 S C -0.463 174.212 174.600 0.125 0.000 1.115 51 S CA -0.405 57.871 58.200 0.127 0.000 1.095 51 S CB 0.712 63.964 63.200 0.085 0.000 0.987 51 S HN 0.449 nan 8.310 nan 0.000 0.474 52 L N 3.186 124.483 121.223 0.125 0.000 2.309 52 L HA 0.510 4.847 4.340 -0.004 0.000 0.282 52 L C 0.161 177.072 176.870 0.068 0.000 1.036 52 L CA 0.172 55.079 54.840 0.112 0.000 0.806 52 L CB 1.780 43.937 42.059 0.163 0.000 1.220 52 L HN 0.484 nan 8.230 nan 0.000 0.429 53 S N 3.409 119.145 115.700 0.060 0.000 2.596 53 S HA 0.504 4.971 4.470 -0.004 0.000 0.318 53 S C -0.690 173.936 174.600 0.043 0.000 1.097 53 S CA -0.523 57.702 58.200 0.043 0.000 1.080 53 S CB 1.043 64.266 63.200 0.037 0.000 0.991 53 S HN 0.265 nan 8.310 nan 0.000 0.471 54 L N 4.484 125.730 121.223 0.039 0.000 2.418 54 L HA 0.283 4.621 4.340 -0.004 0.000 0.274 54 L C 1.653 178.540 176.870 0.029 0.000 1.135 54 L CA 0.338 55.200 54.840 0.038 0.000 0.870 54 L CB 0.329 42.410 42.059 0.036 0.000 1.154 54 L HN 0.561 nan 8.230 nan 0.000 0.462 55 K N 2.257 122.675 120.400 0.029 0.000 2.020 55 K HA -0.126 4.192 4.320 -0.004 0.000 0.212 55 K C 0.395 177.007 176.600 0.019 0.000 1.050 55 K CA 1.343 57.644 56.287 0.023 0.000 0.929 55 K CB 0.088 32.601 32.500 0.022 0.000 0.714 55 K HN 0.517 nan 8.250 nan 0.000 0.443 56 N N -0.277 118.434 118.700 0.019 0.000 2.524 56 N HA 0.190 4.927 4.740 -0.004 0.000 0.261 56 N C -2.269 173.251 175.510 0.017 0.000 0.998 56 N CA -2.001 51.058 53.050 0.016 0.000 0.915 56 N CB 1.718 40.214 38.487 0.014 0.000 1.187 56 N HN -0.194 nan 8.380 nan 0.000 0.507 57 P HA -0.095 nan 4.420 nan 0.000 0.218 57 P C -0.404 176.905 177.300 0.014 0.000 1.146 57 P CA 1.172 64.281 63.100 0.015 0.000 0.820 57 P CB 0.214 31.921 31.700 0.011 0.000 0.778 58 N N 1.062 119.770 118.700 0.013 0.000 3.245 58 N HA 0.123 4.860 4.740 -0.004 0.000 0.296 58 N C -0.009 175.509 175.510 0.013 0.000 1.254 58 N CA 0.298 53.355 53.050 0.011 0.000 1.190 58 N CB -0.484 38.008 38.487 0.009 0.000 1.460 58 N HN 0.326 nan 8.380 nan 0.000 0.538 59 K N -0.317 120.093 120.400 0.016 0.000 2.663 59 K HA 0.089 4.406 4.320 -0.004 0.000 0.267 59 K C -0.968 175.646 176.600 0.023 0.000 1.004 59 K CA -0.943 55.355 56.287 0.018 0.000 0.947 59 K CB 1.549 34.059 32.500 0.018 0.000 1.372 59 K HN 0.146 nan 8.250 nan 0.000 0.411 60 R N 2.962 123.474 120.500 0.021 0.000 2.577 60 R HA 0.560 4.897 4.340 -0.004 0.000 0.269 60 R C -1.146 175.174 176.300 0.033 0.000 1.084 60 R CA -0.757 55.358 56.100 0.025 0.000 1.163 60 R CB 0.796 31.104 30.300 0.013 0.000 1.100 60 R HN 0.530 nan 8.270 nan 0.000 0.547 61 L N 1.029 122.280 121.223 0.047 0.000 2.415 61 L HA 0.366 4.704 4.340 -0.004 0.000 0.268 61 L C -0.985 175.917 176.870 0.054 0.000 0.984 61 L CA -0.168 54.712 54.840 0.067 0.000 0.853 61 L CB 1.758 43.882 42.059 0.108 0.000 1.215 61 L HN 0.712 nan 8.230 nan 0.000 0.419 62 E N 3.699 123.908 120.200 0.016 0.000 2.229 62 E HA 0.425 4.772 4.350 -0.004 0.000 0.283 62 E C -1.132 175.474 176.600 0.010 0.000 1.030 62 E CA -0.275 56.095 56.400 -0.051 0.000 0.836 62 E CB 0.696 30.373 29.700 -0.039 0.000 1.068 62 E HN 0.728 nan 8.360 nan 0.000 0.401 63 H N -0.099 118.979 119.070 0.013 0.000 2.946 63 H HA 0.317 4.870 4.556 -0.004 0.000 0.365 63 H C -0.750 174.577 175.328 -0.001 0.000 1.197 63 H CA -1.082 54.969 56.048 0.005 0.000 1.131 63 H CB 0.791 30.554 29.762 0.002 0.000 1.849 63 H HN 0.168 nan 8.280 nan 0.000 0.555 64 Q N 0.875 120.795 119.800 0.201 0.000 2.237 64 Q HA 0.488 4.825 4.340 -0.004 0.000 0.252 64 Q C -0.253 175.849 176.000 0.169 0.000 0.877 64 Q CA 0.351 56.236 55.803 0.136 0.000 1.011 64 Q CB 1.079 29.854 28.738 0.061 0.000 1.118 64 Q HN 1.072 nan 8.270 nan 0.000 0.458 65 G N -0.014 108.983 108.800 0.329 0.000 2.402 65 G HA2 0.057 4.014 3.960 -0.004 0.000 0.666 65 G HA3 0.057 4.014 3.960 -0.004 0.000 0.666 65 G C -1.490 173.289 174.900 -0.202 0.000 1.402 65 G CA -1.139 43.996 45.100 0.060 0.000 0.920 65 G HN 0.107 nan 8.290 nan 0.000 0.651 66 I N 1.045 121.426 120.570 -0.315 0.000 2.533 66 I HA 0.631 4.798 4.170 -0.004 0.000 0.290 66 I C 0.070 176.010 176.117 -0.294 0.000 1.056 66 I CA -0.835 60.234 61.300 -0.385 0.000 1.057 66 I CB 2.441 40.061 38.000 -0.634 0.000 1.240 66 I HN 0.857 nan 8.210 nan 0.000 0.423 67 K N 5.268 125.541 120.400 -0.211 0.000 2.509 67 K HA 0.759 5.076 4.320 -0.004 0.000 0.266 67 K C -1.794 174.725 176.600 -0.135 0.000 0.987 67 K CA -0.894 55.301 56.287 -0.153 0.000 0.868 67 K CB 3.000 35.446 32.500 -0.089 0.000 1.421 67 K HN 0.405 nan 8.250 nan 0.000 0.444 68 I N 0.907 121.406 120.570 -0.118 0.000 2.466 68 I HA 0.320 4.487 4.170 -0.004 0.000 0.289 68 I C -1.482 174.652 176.117 0.027 0.000 1.026 68 I CA -0.364 60.851 61.300 -0.142 0.000 1.078 68 I CB 1.917 39.672 38.000 -0.409 0.000 1.249 68 I HN 0.733 nan 8.210 nan 0.000 0.429 69 E N 6.465 126.654 120.200 -0.018 0.000 2.199 69 E HA 0.317 4.665 4.350 -0.004 0.000 0.269 69 E C -1.634 174.823 176.600 -0.238 0.000 0.899 69 E CA -0.697 55.662 56.400 -0.069 0.000 0.772 69 E CB 2.402 32.028 29.700 -0.123 0.000 1.155 69 E HN 0.483 nan 8.360 nan 0.000 0.408 70 F N 3.740 123.280 119.950 -0.683 0.000 2.405 70 F HA 0.472 4.997 4.527 -0.004 0.000 0.355 70 F C -0.969 174.443 175.800 -0.647 0.000 1.121 70 F CA -0.465 57.077 58.000 -0.763 0.000 1.112 70 F CB 0.396 38.735 39.000 -1.102 0.000 1.126 70 F HN 0.331 nan 8.300 nan 0.000 0.481 71 I N 4.999 124.753 120.570 -1.359 0.000 2.498 71 I HA 0.502 4.669 4.170 -0.004 0.000 0.290 71 I C -0.059 175.260 176.117 -1.330 0.000 1.032 71 I CA -0.706 59.865 61.300 -1.214 0.000 1.073 71 I CB 2.157 39.409 38.000 -1.248 0.000 1.251 71 I HN 0.727 nan 8.210 nan 0.000 0.426 72 G N 5.401 113.566 108.800 -1.058 0.000 2.487 72 G HA2 0.675 4.632 3.960 -0.004 0.000 0.314 72 G HA3 0.675 4.632 3.960 -0.004 0.000 0.314 72 G C -1.240 172.836 174.900 -1.375 0.000 1.267 72 G CA -0.293 44.017 45.100 -1.317 0.000 0.937 72 G HN 0.594 nan 8.290 nan 0.000 0.481 73 Q N 1.289 120.730 119.800 -0.598 0.000 2.501 73 Q HA 0.680 5.017 4.340 -0.004 0.000 0.288 73 Q C -1.545 174.599 176.000 0.239 0.000 1.051 73 Q CA -1.079 54.668 55.803 -0.092 0.000 0.788 73 Q CB 2.246 30.944 28.738 -0.066 0.000 1.469 73 Q HN 0.399 nan 8.270 nan 0.000 0.416 74 I N 1.428 122.202 120.570 0.340 0.000 2.362 74 I HA 0.294 4.462 4.170 -0.004 0.000 0.289 74 I C -0.674 175.613 176.117 0.284 0.000 0.994 74 I CA -0.608 60.860 61.300 0.280 0.000 1.158 74 I CB 1.774 39.946 38.000 0.286 0.000 1.315 74 I HN 0.603 nan 8.210 nan 0.000 0.451 75 E N 7.357 127.681 120.200 0.206 0.000 2.113 75 E HA 0.426 4.773 4.350 -0.004 0.000 0.273 75 E C -1.078 175.665 176.600 0.238 0.000 0.924 75 E CA -0.578 55.991 56.400 0.282 0.000 0.764 75 E CB 1.797 31.650 29.700 0.255 0.000 1.104 75 E HN 0.455 nan 8.360 nan 0.000 0.406 76 L N 4.182 125.558 121.223 0.256 0.000 2.261 76 L HA 0.165 4.502 4.340 -0.004 0.000 0.289 76 L C 0.518 177.528 176.870 0.233 0.000 1.059 76 L CA -0.651 54.285 54.840 0.160 0.000 0.816 76 L CB 0.169 42.322 42.059 0.157 0.000 1.191 76 L HN 0.643 nan 8.230 nan 0.000 0.431 77 Y N 1.755 122.017 120.300 -0.064 0.000 2.403 77 Y HA -0.197 4.351 4.550 -0.004 0.000 0.291 77 Y C 1.651 177.370 175.900 -0.301 0.000 1.143 77 Y CA 0.672 58.666 58.100 -0.176 0.000 1.257 77 Y CB -0.808 37.509 38.460 -0.238 0.000 0.984 77 Y HN 0.523 nan 8.280 nan 0.000 0.550 78 Y N -0.738 119.517 120.300 -0.075 0.000 2.490 78 Y HA 0.057 4.605 4.550 -0.004 0.000 0.281 78 Y C 0.634 176.509 175.900 -0.043 0.000 1.174 78 Y CA 0.496 58.493 58.100 -0.172 0.000 1.295 78 Y CB 0.446 38.582 38.460 -0.540 0.000 1.062 78 Y HN -0.054 nan 8.280 nan 0.000 0.522 79 D N -1.029 119.435 120.400 0.107 0.000 2.997 79 D HA 0.126 4.763 4.640 -0.004 0.000 0.362 79 D C 1.353 177.681 176.300 0.046 0.000 1.298 79 D CA -0.064 53.991 54.000 0.091 0.000 0.756 79 D CB 0.066 40.955 40.800 0.148 0.000 1.216 79 D HN -0.162 nan 8.370 nan 0.000 0.496 80 R N 0.448 120.949 120.500 0.002 0.000 2.097 80 R HA -0.040 4.298 4.340 -0.004 0.000 0.236 80 R C 1.958 178.225 176.300 -0.055 0.000 1.135 80 R CA 2.305 58.400 56.100 -0.007 0.000 0.934 80 R CB -0.972 29.280 30.300 -0.080 0.000 0.846 80 R HN 0.276 nan 8.270 nan 0.000 0.431 81 G N -0.612 108.108 108.800 -0.133 0.000 2.776 81 G HA2 -0.189 3.769 3.960 -0.004 0.000 0.209 81 G HA3 -0.189 3.769 3.960 -0.004 0.000 0.209 81 G C 0.281 174.834 174.900 -0.579 0.000 1.145 81 G CA 0.241 45.162 45.100 -0.298 0.000 0.791 81 G HN 0.372 nan 8.290 nan 0.000 0.530 82 N N 1.135 119.618 118.700 -0.362 0.000 2.918 82 N HA 0.060 4.798 4.740 -0.004 0.000 0.247 82 N C -0.320 174.931 175.510 -0.432 0.000 1.117 82 N CA -0.579 52.248 53.050 -0.371 0.000 1.005 82 N CB -0.253 38.117 38.487 -0.195 0.000 1.297 82 N HN 0.153 nan 8.380 nan 0.000 0.513 83 H N 1.636 120.590 119.070 -0.193 0.000 2.790 83 H HA 0.082 4.636 4.556 -0.004 0.000 0.358 83 H C -0.012 175.131 175.328 -0.309 0.000 1.103 83 H CA 0.514 56.472 56.048 -0.151 0.000 1.426 83 H CB 0.488 30.225 29.762 -0.042 0.000 1.424 83 H HN 0.451 nan 8.280 nan 0.000 0.599 84 H N 2.265 121.458 119.070 0.205 0.000 2.725 84 H HA 0.178 4.731 4.556 -0.004 0.000 0.283 84 H C 0.020 175.452 175.328 0.172 0.000 1.110 84 H CA -0.380 55.766 56.048 0.163 0.000 1.289 84 H CB 0.619 30.479 29.762 0.163 0.000 1.400 84 H HN 0.609 nan 8.280 nan 0.000 0.493 85 E N 2.353 122.643 120.200 0.149 0.000 2.313 85 E HA 0.089 4.437 4.350 -0.004 0.000 0.276 85 E C 0.183 176.830 176.600 0.078 0.000 1.031 85 E CA -0.309 56.085 56.400 -0.010 0.000 0.857 85 E CB 0.904 30.547 29.700 -0.094 0.000 1.040 85 E HN 0.577 nan 8.360 nan 0.000 0.408 86 F N 0.529 120.509 119.950 0.051 0.000 2.752 86 F HA 0.357 4.882 4.527 -0.004 0.000 0.310 86 F C 0.108 175.950 175.800 0.070 0.000 1.097 86 F CA -0.540 57.519 58.000 0.097 0.000 1.238 86 F CB 0.669 39.787 39.000 0.197 0.000 1.061 86 F HN 0.224 nan 8.300 nan 0.000 0.591 87 V N 0.896 120.540 119.914 -0.450 0.000 2.623 87 V HA 0.728 4.845 4.120 -0.004 0.000 0.304 87 V C -1.222 174.711 176.094 -0.268 0.000 1.054 87 V CA -0.289 61.890 62.300 -0.202 0.000 0.882 87 V CB 1.872 33.672 31.823 -0.038 0.000 1.002 87 V HN 0.218 nan 8.190 nan 0.000 0.424 88 S N 7.583 123.196 115.700 -0.145 0.000 2.776 88 S HA 0.663 5.131 4.470 -0.004 0.000 0.284 88 S C -1.029 173.507 174.600 -0.107 0.000 1.160 88 S CA -0.440 57.660 58.200 -0.168 0.000 1.051 88 S CB 1.106 64.225 63.200 -0.135 0.000 1.037 88 S HN 0.663 nan 8.310 nan 0.000 0.485 89 L N 3.145 124.274 121.223 -0.157 0.000 2.341 89 L HA 0.751 5.089 4.340 -0.004 0.000 0.278 89 L C -0.913 175.938 176.870 -0.032 0.000 1.005 89 L CA -1.012 53.761 54.840 -0.113 0.000 0.818 89 L CB 1.806 43.690 42.059 -0.293 0.000 1.259 89 L HN 0.288 nan 8.230 nan 0.000 0.418 90 V N 2.606 122.588 119.914 0.113 0.000 2.444 90 V HA 0.430 4.547 4.120 -0.004 0.000 0.294 90 V C -0.397 175.805 176.094 0.180 0.000 1.022 90 V CA -0.694 61.682 62.300 0.127 0.000 0.850 90 V CB 1.898 33.746 31.823 0.041 0.000 0.992 90 V HN 0.590 nan 8.190 nan 0.000 0.426 91 K N 3.318 123.820 120.400 0.170 0.000 2.483 91 K HA 0.386 4.704 4.320 -0.004 0.000 0.256 91 K C -0.577 176.010 176.600 -0.021 0.000 0.961 91 K CA -0.322 55.992 56.287 0.044 0.000 0.873 91 K CB 0.884 33.333 32.500 -0.085 0.000 1.107 91 K HN 0.665 nan 8.250 nan 0.000 0.432 92 D N 5.197 125.582 120.400 -0.024 0.000 2.390 92 D HA 0.053 4.691 4.640 -0.004 0.000 0.249 92 D C 0.686 176.936 176.300 -0.084 0.000 1.144 92 D CA 0.172 54.136 54.000 -0.060 0.000 0.880 92 D CB 1.196 41.973 40.800 -0.037 0.000 1.182 92 D HN 0.538 nan 8.370 nan 0.000 0.451 93 L N 0.917 122.038 121.223 -0.170 0.000 2.470 93 L HA 0.257 4.594 4.340 -0.004 0.000 0.219 93 L C 0.821 177.537 176.870 -0.257 0.000 1.071 93 L CA 0.267 54.969 54.840 -0.229 0.000 0.850 93 L CB 0.257 42.065 42.059 -0.418 0.000 1.040 93 L HN 0.327 nan 8.230 nan 0.000 0.475 94 A N 0.076 122.740 122.820 -0.259 0.000 2.547 94 A HA 0.644 4.961 4.320 -0.004 0.000 0.297 94 A C -0.776 176.802 177.584 -0.011 0.000 1.056 94 A CA -0.666 51.303 52.037 -0.112 0.000 0.688 94 A CB 1.202 20.092 19.000 -0.183 0.000 1.282 94 A HN 0.034 nan 8.150 nan 0.000 0.400 95 R N 1.094 121.636 120.500 0.070 0.000 2.637 95 R HA 0.428 4.765 4.340 -0.004 0.000 0.269 95 R C -2.456 173.940 176.300 0.160 0.000 1.089 95 R CA -1.504 54.644 56.100 0.081 0.000 1.177 95 R CB -0.030 30.305 30.300 0.059 0.000 1.091 95 R HN 0.406 nan 8.270 nan 0.000 0.540 96 P HA -0.008 nan 4.420 nan 0.000 0.262 96 P C -0.295 176.975 177.300 -0.050 0.000 1.182 96 P CA 0.533 63.681 63.100 0.080 0.000 0.761 96 P CB 0.718 32.437 31.700 0.031 0.000 0.795 97 G N 1.952 110.539 108.800 -0.355 0.000 2.529 97 G HA2 0.337 4.294 3.960 -0.004 0.000 0.238 97 G HA3 0.337 4.294 3.960 -0.004 0.000 0.238 97 G C -1.645 172.924 174.900 -0.552 0.000 1.207 97 G CA -0.353 44.553 45.100 -0.323 0.000 0.928 97 G HN 0.422 nan 8.290 nan 0.000 0.495 98 E N -0.396 119.635 120.200 -0.281 0.000 2.292 98 E HA 0.457 4.805 4.350 -0.004 0.000 0.272 98 E C -1.215 175.405 176.600 0.034 0.000 0.881 98 E CA -0.752 55.554 56.400 -0.156 0.000 0.754 98 E CB 2.350 32.006 29.700 -0.074 0.000 1.201 98 E HN 0.194 nan 8.360 nan 0.000 0.425 99 I N 3.012 123.654 120.570 0.119 0.000 2.315 99 I HA 0.145 4.312 4.170 -0.004 0.000 0.291 99 I C 0.907 177.077 176.117 0.089 0.000 1.006 99 I CA -0.080 61.317 61.300 0.162 0.000 1.265 99 I CB 0.843 38.977 38.000 0.224 0.000 1.387 99 I HN 0.542 nan 8.210 nan 0.000 0.475 100 T N 2.891 117.485 114.554 0.067 0.000 3.415 100 T HA 0.449 4.796 4.350 -0.004 0.000 0.282 100 T C -0.084 174.636 174.700 0.033 0.000 1.007 100 T CA -0.534 61.591 62.100 0.041 0.000 0.958 100 T CB 0.246 69.131 68.868 0.028 0.000 1.171 100 T HN 0.672 nan 8.240 nan 0.000 0.500 101 Q N 0.096 119.920 119.800 0.039 0.000 2.920 101 Q HA 0.211 4.549 4.340 -0.004 0.000 0.255 101 Q C -1.714 174.299 176.000 0.023 0.000 0.976 101 Q CA -0.379 55.438 55.803 0.023 0.000 0.862 101 Q CB 0.839 29.582 28.738 0.009 0.000 1.952 101 Q HN 0.283 nan 8.270 nan 0.000 0.489 102 S N 2.258 117.965 115.700 0.011 0.000 2.549 102 S HA 0.384 4.852 4.470 -0.004 0.000 0.279 102 S C -0.644 173.938 174.600 -0.031 0.000 1.321 102 S CA 0.135 58.338 58.200 0.005 0.000 1.054 102 S CB 0.648 63.852 63.200 0.007 0.000 0.899 102 S HN 0.464 nan 8.310 nan 0.000 0.497 103 Q N 0.519 120.285 119.800 -0.057 0.000 2.804 103 Q HA 0.761 5.098 4.340 -0.004 0.000 0.302 103 Q C -1.770 174.098 176.000 -0.219 0.000 0.885 103 Q CA -1.326 54.378 55.803 -0.166 0.000 0.759 103 Q CB 1.282 29.866 28.738 -0.256 0.000 1.465 103 Q HN 0.637 nan 8.270 nan 0.000 0.432 104 A N 0.547 123.157 122.820 -0.351 0.000 2.469 104 A HA 0.896 5.213 4.320 -0.004 0.000 0.299 104 A C -1.729 175.550 177.584 -0.508 0.000 1.098 104 A CA -0.719 51.166 52.037 -0.253 0.000 0.737 104 A CB 1.216 20.172 19.000 -0.073 0.000 1.312 104 A HN 0.510 nan 8.150 nan 0.000 0.414 105 F N 0.681 120.661 119.950 0.050 0.000 2.540 105 F HA 0.425 4.949 4.527 -0.004 0.000 0.317 105 F C -0.238 175.607 175.800 0.075 0.000 1.104 105 F CA -0.657 57.374 58.000 0.053 0.000 0.913 105 F CB 1.926 40.960 39.000 0.057 0.000 1.170 105 F HN 0.441 nan 8.300 nan 0.000 0.450 106 D N 2.364 122.870 120.400 0.178 0.000 2.339 106 D HA 0.455 5.092 4.640 -0.004 0.000 0.245 106 D C -0.685 175.683 176.300 0.114 0.000 1.115 106 D CA 0.354 54.379 54.000 0.043 0.000 0.917 106 D CB 0.984 41.761 40.800 -0.039 0.000 1.192 106 D HN 0.351 nan 8.370 nan 0.000 0.428 107 F N -1.393 118.514 119.950 -0.071 0.000 2.641 107 F HA 0.571 5.095 4.527 -0.005 0.000 0.308 107 F C -1.054 174.595 175.800 -0.252 0.000 1.105 107 F CA -1.129 56.750 58.000 -0.202 0.000 0.964 107 F CB 1.551 40.394 39.000 -0.262 0.000 1.294 107 F HN 0.184 nan 8.300 nan 0.000 0.442 108 E N 2.767 122.848 120.200 -0.197 0.000 2.274 108 E HA 0.490 4.837 4.350 -0.004 0.000 0.269 108 E C -2.328 174.112 176.600 -0.267 0.000 0.891 108 E CA -0.658 55.617 56.400 -0.208 0.000 0.784 108 E CB 1.313 30.918 29.700 -0.158 0.000 1.225 108 E HN 0.566 nan 8.360 nan 0.000 0.412 109 F N 3.061 123.056 119.950 0.075 0.000 2.361 109 F HA 0.293 4.817 4.527 -0.005 0.000 0.364 109 F C 0.675 176.410 175.800 -0.107 0.000 1.120 109 F CA -0.457 57.529 58.000 -0.025 0.000 1.102 109 F CB 1.634 40.574 39.000 -0.099 0.000 1.183 109 F HN 0.286 nan 8.300 nan 0.000 0.476 110 T N -0.134 114.441 114.554 0.035 0.000 2.934 110 T HA 0.306 4.653 4.350 -0.004 0.000 0.283 110 T C -0.330 174.277 174.700 -0.156 0.000 1.005 110 T CA -0.699 61.291 62.100 -0.184 0.000 1.041 110 T CB 0.726 69.398 68.868 -0.326 0.000 1.042 110 T HN 0.683 nan 8.240 nan 0.000 0.505 111 H N -1.138 117.933 119.070 0.001 0.000 2.740 111 H HA -0.104 4.450 4.556 -0.004 0.000 0.327 111 H C -0.869 174.428 175.328 -0.050 0.000 1.077 111 H CA 0.075 56.115 56.048 -0.012 0.000 1.088 111 H CB -2.204 27.559 29.762 0.002 0.000 1.619 111 H HN 0.520 nan 8.280 nan 0.000 0.386 112 V N 2.042 121.924 119.914 -0.053 0.000 2.328 112 V HA 0.096 4.213 4.120 -0.004 0.000 0.278 112 V C 0.958 176.988 176.094 -0.107 0.000 1.021 112 V CA -0.425 61.756 62.300 -0.199 0.000 0.838 112 V CB 1.915 33.395 31.823 -0.571 0.000 0.999 112 V HN 0.433 nan 8.190 nan 0.000 0.447 113 E N 4.811 125.003 120.200 -0.014 0.000 2.324 113 E HA 0.253 4.600 4.350 -0.004 0.000 0.271 113 E C -0.514 176.172 176.600 0.143 0.000 1.028 113 E CA -0.184 56.250 56.400 0.056 0.000 0.890 113 E CB 0.592 30.336 29.700 0.073 0.000 1.004 113 E HN 0.585 nan 8.360 nan 0.000 0.431 114 K N 5.344 125.818 120.400 0.123 0.000 2.752 114 K HA 0.237 4.554 4.320 -0.004 0.000 0.199 114 K C -2.313 174.365 176.600 0.129 0.000 1.069 114 K CA -1.474 54.951 56.287 0.230 0.000 1.033 114 K CB 1.691 34.145 32.500 -0.075 0.000 1.229 114 K HN 0.219 nan 8.250 nan 0.000 0.572 115 P HA -0.050 nan 4.420 nan 0.000 0.236 115 P C -0.767 176.355 177.300 -0.296 0.000 1.177 115 P CA 0.668 63.556 63.100 -0.352 0.000 0.773 115 P CB 0.121 31.344 31.700 -0.795 0.000 0.878 116 Y N -0.792 119.667 120.300 0.264 0.000 2.462 116 Y HA 0.429 4.976 4.550 -0.005 0.000 0.346 116 Y C 0.639 176.769 175.900 0.383 0.000 0.976 116 Y CA -2.313 55.919 58.100 0.219 0.000 1.044 116 Y CB 0.824 39.310 38.460 0.042 0.000 1.230 116 Y HN -0.250 nan 8.280 nan 0.000 0.455 117 E N 1.170 121.660 120.200 0.483 0.000 2.373 117 E HA 0.289 4.637 4.350 -0.004 0.000 0.267 117 E C -0.476 176.444 176.600 0.533 0.000 1.032 117 E CA -0.229 56.449 56.400 0.462 0.000 0.889 117 E CB 0.669 30.599 29.700 0.384 0.000 0.984 117 E HN 0.672 nan 8.360 nan 0.000 0.425 118 S N 2.443 118.442 115.700 0.498 0.000 2.563 118 S HA 0.059 4.526 4.470 -0.004 0.000 0.284 118 S C -0.910 174.012 174.600 0.538 0.000 1.331 118 S CA 0.147 58.590 58.200 0.405 0.000 1.047 118 S CB 0.184 63.408 63.200 0.041 0.000 0.859 118 S HN 0.477 nan 8.310 nan 0.000 0.514 119 Y N 0.717 121.209 120.300 0.321 0.000 2.442 119 Y HA 0.345 4.893 4.550 -0.004 0.000 0.330 119 Y C -0.985 175.036 175.900 0.202 0.000 1.100 119 Y CA -0.605 57.676 58.100 0.302 0.000 1.034 119 Y CB 1.465 40.063 38.460 0.230 0.000 1.285 119 Y HN 0.552 nan 8.280 nan 0.000 0.440 120 T N 5.532 119.776 114.554 -0.515 0.000 2.912 120 T HA 0.617 4.965 4.350 -0.004 0.000 0.326 120 T C 0.194 174.352 174.700 -0.903 0.000 1.080 120 T CA -0.186 61.619 62.100 -0.492 0.000 1.000 120 T CB 0.747 69.519 68.868 -0.160 0.000 1.008 120 T HN 0.907 nan 8.240 nan 0.000 0.473 121 G N 1.294 109.549 108.800 -0.908 0.000 2.828 121 G HA2 0.406 4.363 3.960 -0.004 0.000 0.244 121 G HA3 0.406 4.363 3.960 -0.004 0.000 0.244 121 G C 0.663 175.396 174.900 -0.278 0.000 1.365 121 G CA -0.276 44.450 45.100 -0.623 0.000 1.041 121 G HN 0.504 nan 8.290 nan 0.000 0.560 122 Q N -1.105 118.596 119.800 -0.165 0.000 2.165 122 Q HA 0.121 4.458 4.340 -0.004 0.000 0.197 122 Q C 1.530 177.429 176.000 -0.168 0.000 0.952 122 Q CA 1.737 57.498 55.803 -0.071 0.000 0.848 122 Q CB -0.069 28.674 28.738 0.008 0.000 0.931 122 Q HN 0.617 nan 8.270 nan 0.000 0.470 123 N N -0.996 117.490 118.700 -0.356 0.000 2.200 123 N HA 0.282 5.020 4.740 -0.004 0.000 0.224 123 N C -1.329 173.629 175.510 -0.919 0.000 1.179 123 N CA -0.090 52.688 53.050 -0.455 0.000 0.877 123 N CB 2.398 40.845 38.487 -0.067 0.000 1.072 123 N HN 0.022 nan 8.380 nan 0.000 0.519 124 V N 0.229 119.380 119.914 -1.273 0.000 3.167 124 V HA 0.393 4.510 4.120 -0.004 0.000 0.293 124 V C -1.992 173.681 176.094 -0.701 0.000 1.379 124 V CA -0.727 61.049 62.300 -0.873 0.000 1.019 124 V CB 2.455 33.928 31.823 -0.584 0.000 1.115 124 V HN -0.049 nan 8.190 nan 0.000 0.442 125 K N 4.368 124.575 120.400 -0.323 0.000 2.501 125 K HA 0.663 4.980 4.320 -0.004 0.000 0.252 125 K C -2.282 174.287 176.600 -0.051 0.000 0.934 125 K CA -0.716 55.496 56.287 -0.125 0.000 0.797 125 K CB 2.225 34.787 32.500 0.104 0.000 1.270 125 K HN 0.759 nan 8.250 nan 0.000 0.431 126 L N 5.424 126.672 121.223 0.041 0.000 2.343 126 L HA 0.581 4.918 4.340 -0.004 0.000 0.278 126 L C -1.104 175.845 176.870 0.132 0.000 0.996 126 L CA -0.485 54.445 54.840 0.150 0.000 0.831 126 L CB 0.833 43.072 42.059 0.300 0.000 1.232 126 L HN 0.757 nan 8.230 nan 0.000 0.413 127 R N 2.887 123.414 120.500 0.045 0.000 2.725 127 R HA 0.538 4.876 4.340 -0.004 0.000 0.277 127 R C -1.982 174.245 176.300 -0.121 0.000 0.987 127 R CA -0.841 55.274 56.100 0.024 0.000 0.901 127 R CB 1.400 31.717 30.300 0.029 0.000 1.207 127 R HN 0.396 nan 8.270 nan 0.000 0.463 128 Y N 1.703 121.988 120.300 -0.025 0.000 2.446 128 Y HA 0.653 5.200 4.550 -0.005 0.000 0.338 128 Y C -0.335 175.456 175.900 -0.180 0.000 1.055 128 Y CA -0.642 57.293 58.100 -0.275 0.000 1.101 128 Y CB 1.911 40.225 38.460 -0.243 0.000 1.221 128 Y HN 0.653 nan 8.280 nan 0.000 0.460 129 F N -0.727 118.981 119.950 -0.404 0.000 2.693 129 F HA 0.710 5.235 4.527 -0.004 0.000 0.309 129 F C -2.388 173.200 175.800 -0.353 0.000 1.129 129 F CA -1.583 56.250 58.000 -0.279 0.000 0.948 129 F CB 0.914 39.798 39.000 -0.193 0.000 1.315 129 F HN 0.218 nan 8.300 nan 0.000 0.447 130 L N 2.492 123.742 121.223 0.045 0.000 2.307 130 L HA 0.652 4.989 4.340 -0.004 0.000 0.282 130 L C -0.311 176.652 176.870 0.156 0.000 1.051 130 L CA -0.689 54.158 54.840 0.011 0.000 0.804 130 L CB 1.800 43.924 42.059 0.108 0.000 1.197 130 L HN 0.778 nan 8.230 nan 0.000 0.431 131 R N 2.756 123.292 120.500 0.061 0.000 2.451 131 R HA 0.691 5.028 4.340 -0.004 0.000 0.307 131 R C -1.191 175.112 176.300 0.004 0.000 0.965 131 R CA -0.410 55.755 56.100 0.109 0.000 0.865 131 R CB 1.593 32.010 30.300 0.195 0.000 1.174 131 R HN 0.706 nan 8.270 nan 0.000 0.455 132 A N 3.233 126.054 122.820 0.001 0.000 2.276 132 A HA 0.520 4.838 4.320 -0.004 0.000 0.316 132 A C -0.744 176.821 177.584 -0.030 0.000 1.229 132 A CA -0.395 51.621 52.037 -0.036 0.000 0.851 132 A CB 1.318 20.308 19.000 -0.017 0.000 1.165 132 A HN 0.683 nan 8.150 nan 0.000 0.513 133 T N 3.315 117.834 114.554 -0.057 0.000 2.812 133 T HA 0.473 4.821 4.350 -0.004 0.000 0.282 133 T C -0.284 174.363 174.700 -0.088 0.000 0.990 133 T CA -0.028 62.040 62.100 -0.052 0.000 0.960 133 T CB 0.718 69.562 68.868 -0.040 0.000 0.948 133 T HN 0.461 nan 8.240 nan 0.000 0.438 134 I N 2.988 123.515 120.570 -0.072 0.000 2.291 134 I HA 0.209 4.377 4.170 -0.004 0.000 0.290 134 I C 0.577 176.672 176.117 -0.036 0.000 1.050 134 I CA -0.436 60.807 61.300 -0.095 0.000 1.245 134 I CB 0.808 38.768 38.000 -0.067 0.000 1.405 134 I HN 0.533 nan 8.210 nan 0.000 0.478 135 S N 7.213 122.895 115.700 -0.031 0.000 2.549 135 S HA 0.399 4.866 4.470 -0.004 0.000 0.283 135 S C 0.090 174.722 174.600 0.054 0.000 1.320 135 S CA -0.357 57.850 58.200 0.012 0.000 1.058 135 S CB 0.522 63.730 63.200 0.013 0.000 0.882 135 S HN 0.518 nan 8.310 nan 0.000 0.498 136 R N 0.751 121.275 120.500 0.041 0.000 2.836 136 R HA 0.337 4.675 4.340 -0.004 0.000 0.269 136 R C 1.209 177.527 176.300 0.029 0.000 1.010 136 R CA -1.091 55.037 56.100 0.047 0.000 0.930 136 R CB 1.283 31.608 30.300 0.043 0.000 1.218 136 R HN 0.677 nan 8.270 nan 0.000 0.473 137 R N 0.476 120.991 120.500 0.025 0.000 2.154 137 R HA -0.227 4.110 4.340 -0.004 0.000 0.236 137 R C 1.533 177.840 176.300 0.011 0.000 1.121 137 R CA 1.718 57.827 56.100 0.015 0.000 0.915 137 R CB -0.795 29.512 30.300 0.011 0.000 0.856 137 R HN 0.418 nan 8.270 nan 0.000 0.431 138 L N 0.077 121.306 121.223 0.011 0.000 2.187 138 L HA 0.118 4.455 4.340 -0.004 0.000 0.197 138 L C 0.397 177.270 176.870 0.006 0.000 1.090 138 L CA 0.333 55.177 54.840 0.007 0.000 0.781 138 L CB -0.268 41.794 42.059 0.006 0.000 0.956 138 L HN 0.298 nan 8.230 nan 0.000 0.463 139 N N 0.031 118.736 118.700 0.008 0.000 2.310 139 N HA 0.244 4.981 4.740 -0.004 0.000 0.292 139 N C -1.702 173.814 175.510 0.009 0.000 1.049 139 N CA -0.624 52.429 53.050 0.006 0.000 0.849 139 N CB 1.905 40.393 38.487 0.003 0.000 1.532 139 N HN -0.092 nan 8.380 nan 0.000 0.479 140 D N 0.695 121.099 120.400 0.006 0.000 2.382 140 D HA 0.118 4.755 4.640 -0.004 0.000 0.240 140 D C 0.254 176.556 176.300 0.003 0.000 1.146 140 D CA -0.017 53.986 54.000 0.006 0.000 0.897 140 D CB 1.416 42.216 40.800 -0.001 0.000 1.197 140 D HN 0.145 nan 8.370 nan 0.000 0.432 141 V N 1.860 121.776 119.914 0.003 0.000 2.385 141 V HA 0.213 4.330 4.120 -0.004 0.000 0.269 141 V C 0.328 176.419 176.094 -0.005 0.000 1.043 141 V CA -0.563 61.738 62.300 0.003 0.000 0.906 141 V CB 1.211 33.039 31.823 0.009 0.000 0.995 141 V HN 0.209 nan 8.190 nan 0.000 0.467 142 V N 4.942 124.853 119.914 -0.005 0.000 2.495 142 V HA 0.619 4.736 4.120 -0.004 0.000 0.298 142 V C -0.209 175.883 176.094 -0.003 0.000 1.031 142 V CA -0.844 61.452 62.300 -0.007 0.000 0.871 142 V CB 1.969 33.785 31.823 -0.012 0.000 0.988 142 V HN 0.870 nan 8.190 nan 0.000 0.432 143 K N 3.648 124.052 120.400 0.007 0.000 2.426 143 K HA 0.582 4.899 4.320 -0.004 0.000 0.254 143 K C -0.776 175.842 176.600 0.030 0.000 0.936 143 K CA -0.274 56.024 56.287 0.018 0.000 0.801 143 K CB 1.654 34.176 32.500 0.037 0.000 1.139 143 K HN 0.769 nan 8.250 nan 0.000 0.424 144 E N 3.686 123.892 120.200 0.011 0.000 2.227 144 E HA 0.414 4.761 4.350 -0.004 0.000 0.268 144 E C -0.997 175.642 176.600 0.065 0.000 0.907 144 E CA -0.949 55.468 56.400 0.028 0.000 0.786 144 E CB 2.256 31.865 29.700 -0.152 0.000 1.191 144 E HN 0.512 nan 8.360 nan 0.000 0.411 145 M N 2.513 122.199 119.600 0.143 0.000 2.204 145 M HA 0.281 4.758 4.480 -0.004 0.000 0.293 145 M C -1.729 174.709 176.300 0.229 0.000 0.994 145 M CA -0.737 54.676 55.300 0.188 0.000 0.925 145 M CB 1.527 34.270 32.600 0.238 0.000 1.577 145 M HN 0.382 nan 8.290 nan 0.000 0.439 146 D N 4.619 125.145 120.400 0.209 0.000 2.345 146 D HA 0.475 5.112 4.640 -0.004 0.000 0.247 146 D C -0.342 176.092 176.300 0.223 0.000 1.108 146 D CA 0.182 54.277 54.000 0.159 0.000 0.894 146 D CB 0.904 41.681 40.800 -0.038 0.000 1.203 146 D HN 0.615 nan 8.370 nan 0.000 0.430 147 I N -1.485 119.188 120.570 0.171 0.000 2.797 147 I HA 0.665 4.833 4.170 -0.004 0.000 0.307 147 I C -0.915 175.242 176.117 0.068 0.000 1.033 147 I CA -1.010 60.430 61.300 0.232 0.000 1.071 147 I CB 1.781 39.948 38.000 0.279 0.000 1.255 147 I HN -0.028 nan 8.210 nan 0.000 0.445 148 V N 4.637 124.589 119.914 0.063 0.000 2.547 148 V HA 0.522 4.640 4.120 -0.004 0.000 0.299 148 V C -0.142 175.902 176.094 -0.084 0.000 1.040 148 V CA -0.623 61.625 62.300 -0.087 0.000 0.913 148 V CB 1.820 33.558 31.823 -0.142 0.000 0.992 148 V HN 0.593 nan 8.190 nan 0.000 0.449 149 V N 4.195 124.071 119.914 -0.064 0.000 2.495 149 V HA 0.496 4.613 4.120 -0.004 0.000 0.298 149 V C -0.517 175.655 176.094 0.129 0.000 1.031 149 V CA -0.632 61.611 62.300 -0.095 0.000 0.871 149 V CB 1.630 33.288 31.823 -0.275 0.000 0.988 149 V HN 0.908 nan 8.190 nan 0.000 0.432 150 H N 1.455 120.529 119.070 0.006 0.000 2.573 150 H HA 0.621 5.174 4.556 -0.005 0.000 0.351 150 H C -0.597 174.890 175.328 0.266 0.000 1.163 150 H CA -0.762 55.379 56.048 0.154 0.000 1.205 150 H CB 2.128 31.987 29.762 0.163 0.000 1.605 150 H HN 0.576 nan 8.280 nan 0.000 0.525 151 T N 3.329 118.126 114.554 0.406 0.000 2.792 151 T HA 0.322 4.669 4.350 -0.004 0.000 0.280 151 T C -0.165 174.715 174.700 0.300 0.000 0.990 151 T CA -0.761 61.538 62.100 0.331 0.000 0.960 151 T CB 0.666 69.691 68.868 0.262 0.000 0.939 151 T HN 0.212 nan 8.240 nan 0.000 0.439 152 L N 2.355 123.731 121.223 0.254 0.000 2.325 152 L HA 0.671 5.008 4.340 -0.004 0.000 0.279 152 L C 0.402 177.367 176.870 0.157 0.000 1.054 152 L CA -0.585 54.380 54.840 0.207 0.000 0.804 152 L CB 1.470 43.594 42.059 0.108 0.000 1.200 152 L HN 0.598 nan 8.230 nan 0.000 0.436 153 S N -0.168 115.670 115.700 0.229 0.000 2.671 153 S HA 0.793 5.260 4.470 -0.004 0.000 0.299 153 S C -0.502 174.029 174.600 -0.114 0.000 1.116 153 S CA -0.722 57.485 58.200 0.012 0.000 0.912 153 S CB 2.305 65.535 63.200 0.050 0.000 1.130 153 S HN 0.722 nan 8.310 nan 0.000 0.501 154 T N -0.357 113.857 114.554 -0.567 0.000 2.912 154 T HA 0.779 5.127 4.350 -0.004 0.000 0.299 154 T C -1.661 172.402 174.700 -1.062 0.000 1.052 154 T CA -0.527 61.210 62.100 -0.605 0.000 0.996 154 T CB 0.832 69.535 68.868 -0.274 0.000 1.070 154 T HN 0.507 nan 8.240 nan 0.000 0.465 155 Y N 0.001 119.891 120.300 -0.684 0.000 2.562 155 Y HA 0.588 5.135 4.550 -0.004 0.000 0.345 155 Y C -1.785 173.994 175.900 -0.202 0.000 1.045 155 Y CA -1.812 55.996 58.100 -0.487 0.000 1.028 155 Y CB 0.360 38.403 38.460 -0.694 0.000 1.297 155 Y HN 0.692 nan 8.280 nan 0.000 0.463 161 S N 0.815 116.434 115.700 -0.135 0.000 2.543 161 S HA 0.705 5.173 4.470 -0.004 0.000 0.274 161 S C -1.917 172.514 174.600 -0.281 0.000 1.149 161 S CA -0.797 57.286 58.200 -0.194 0.000 0.866 161 S CB 1.136 64.250 63.200 -0.143 0.000 1.111 161 S HN 0.708 nan 8.310 nan 0.000 0.457 162 I N 1.855 122.127 120.570 -0.498 0.000 2.569 162 I HA 0.593 4.760 4.170 -0.004 0.000 0.296 162 I C -0.218 175.490 176.117 -0.682 0.000 1.028 162 I CA -0.681 60.244 61.300 -0.624 0.000 1.082 162 I CB 1.785 39.230 38.000 -0.926 0.000 1.264 162 I HN 0.776 nan 8.210 nan 0.000 0.429 163 K N 6.423 126.603 120.400 -0.366 0.000 2.375 163 K HA 0.822 5.139 4.320 -0.004 0.000 0.249 163 K C -0.821 175.743 176.600 -0.060 0.000 0.942 163 K CA -0.767 55.393 56.287 -0.211 0.000 0.806 163 K CB 3.223 35.661 32.500 -0.102 0.000 1.227 163 K HN 0.684 nan 8.250 nan 0.000 0.430 164 M N -0.207 119.421 119.600 0.047 0.000 2.593 164 M HA 0.520 4.998 4.480 -0.004 0.000 0.290 164 M C -1.403 174.964 176.300 0.112 0.000 1.244 164 M CA -0.779 54.594 55.300 0.122 0.000 0.857 164 M CB 2.552 35.285 32.600 0.222 0.000 1.738 164 M HN 0.603 nan 8.290 nan 0.000 0.461 165 E N 0.868 121.129 120.200 0.101 0.000 2.340 165 E HA 0.774 5.122 4.350 -0.004 0.000 0.273 165 E C -1.908 174.749 176.600 0.095 0.000 0.891 165 E CA -1.116 55.319 56.400 0.058 0.000 0.757 165 E CB 3.114 32.825 29.700 0.017 0.000 1.231 165 E HN 0.530 nan 8.360 nan 0.000 0.439 166 V N 1.148 121.096 119.914 0.057 0.000 2.769 166 V HA 0.772 4.890 4.120 -0.004 0.000 0.312 166 V C 0.207 176.364 176.094 0.105 0.000 1.061 166 V CA 0.917 63.283 62.300 0.110 0.000 0.931 166 V CB 1.280 33.165 31.823 0.102 0.000 1.010 166 V HN 1.124 nan 8.190 nan 0.000 0.433 167 G N 4.910 113.806 108.800 0.160 0.000 2.549 167 G HA2 -0.079 3.878 3.960 -0.004 0.000 0.404 167 G HA3 -0.079 3.878 3.960 -0.004 0.000 0.404 167 G C -1.213 173.787 174.900 0.166 0.000 1.292 167 G CA -0.280 44.841 45.100 0.036 0.000 0.935 167 G HN 0.869 nan 8.290 nan 0.000 0.512 168 I N 0.676 121.278 120.570 0.054 0.000 2.412 168 I HA 0.407 4.575 4.170 -0.004 0.000 0.296 168 I C 0.704 176.706 176.117 -0.192 0.000 0.987 168 I CA -0.572 60.720 61.300 -0.013 0.000 1.180 168 I CB 1.857 39.882 38.000 0.041 0.000 1.340 168 I HN 0.697 nan 8.210 nan 0.000 0.455 169 E N 5.376 125.366 120.200 -0.350 0.000 2.417 169 E HA -0.074 4.274 4.350 -0.004 0.000 0.261 169 E C -0.354 176.135 176.600 -0.186 0.000 1.000 169 E CA 0.351 56.473 56.400 -0.464 0.000 0.919 169 E CB 0.223 29.722 29.700 -0.336 0.000 0.955 169 E HN 0.629 nan 8.360 nan 0.000 0.455 170 D N 1.731 122.062 120.400 -0.116 0.000 2.946 170 D HA -0.231 4.406 4.640 -0.004 0.000 0.202 170 D C 0.131 176.427 176.300 -0.006 0.000 1.068 170 D CA 1.038 55.021 54.000 -0.029 0.000 1.011 170 D CB -1.458 39.324 40.800 -0.031 0.000 1.105 170 D HN 0.391 nan 8.370 nan 0.000 0.425 171 C N -0.583 118.712 119.300 -0.009 0.000 3.102 171 C HA 0.473 4.931 4.460 -0.004 0.000 0.102 171 C C 0.565 175.567 174.990 0.020 0.000 2.375 171 C CA -0.328 58.695 59.018 0.009 0.000 1.250 171 C CB -0.403 27.343 27.740 0.010 0.000 2.109 171 C HN 0.308 nan 8.230 nan 0.000 0.467 172 L N 2.100 123.316 121.223 -0.012 0.000 2.280 172 L HA 0.535 4.873 4.340 -0.004 0.000 0.287 172 L C -0.653 176.208 176.870 -0.014 0.000 1.023 172 L CA 0.347 55.162 54.840 -0.041 0.000 0.819 172 L CB 0.028 41.992 42.059 -0.157 0.000 1.212 172 L HN 0.586 nan 8.230 nan 0.000 0.420 173 H N 6.395 125.426 119.070 -0.064 0.000 3.096 173 H HA 0.459 5.012 4.556 -0.004 0.000 0.335 173 H C -1.522 173.804 175.328 -0.004 0.000 0.990 173 H CA -0.704 55.318 56.048 -0.043 0.000 1.393 173 H CB 1.435 31.192 29.762 -0.008 0.000 1.742 173 H HN 0.443 nan 8.280 nan 0.000 0.501 174 I N 3.001 123.404 120.570 -0.278 0.000 2.846 174 I HA 0.293 4.460 4.170 -0.004 0.000 0.307 174 I C -0.091 175.841 176.117 -0.308 0.000 1.053 174 I CA -0.660 60.474 61.300 -0.277 0.000 1.050 174 I CB 2.038 39.904 38.000 -0.223 0.000 1.239 174 I HN 0.680 nan 8.210 nan 0.000 0.439 175 E N 3.446 123.534 120.200 -0.186 0.000 2.263 175 E HA 0.369 4.717 4.350 -0.004 0.000 0.268 175 E C -2.096 174.542 176.600 0.064 0.000 0.884 175 E CA -0.484 55.889 56.400 -0.045 0.000 0.766 175 E CB 2.142 31.847 29.700 0.008 0.000 1.196 175 E HN 0.340 nan 8.360 nan 0.000 0.416 176 F N 3.766 123.679 119.950 -0.062 0.000 2.427 176 F HA 0.430 4.955 4.527 -0.004 0.000 0.346 176 F C -0.712 175.114 175.800 0.044 0.000 1.120 176 F CA -0.920 57.045 58.000 -0.058 0.000 1.033 176 F CB 1.361 40.341 39.000 -0.034 0.000 1.126 176 F HN 0.547 nan 8.300 nan 0.000 0.462 177 E N 6.351 126.281 120.200 -0.449 0.000 2.212 177 E HA 0.482 4.829 4.350 -0.004 0.000 0.268 177 E C -1.841 174.352 176.600 -0.679 0.000 0.902 177 E CA -0.618 55.496 56.400 -0.477 0.000 0.779 177 E CB 1.874 31.506 29.700 -0.112 0.000 1.172 177 E HN 0.647 nan 8.360 nan 0.000 0.409 178 Y N 1.616 121.565 120.300 -0.584 0.000 2.655 178 Y HA 0.387 4.935 4.550 -0.004 0.000 0.336 178 Y C 0.482 176.285 175.900 -0.161 0.000 1.154 178 Y CA -0.996 56.858 58.100 -0.410 0.000 1.055 178 Y CB 0.398 38.576 38.460 -0.471 0.000 1.295 178 Y HN 0.444 nan 8.280 nan 0.000 0.465 179 N N 0.637 119.398 118.700 0.101 0.000 2.376 179 N HA 0.053 4.790 4.740 -0.004 0.000 0.177 179 N C -0.665 174.809 175.510 -0.061 0.000 1.024 179 N CA 0.518 53.572 53.050 0.006 0.000 0.893 179 N CB 0.242 38.759 38.487 0.049 0.000 0.980 179 N HN 0.730 nan 8.380 nan 0.000 0.439 180 K N -0.851 119.532 120.400 -0.029 0.000 2.509 180 K HA 0.344 4.661 4.320 -0.004 0.000 0.266 180 K C 0.071 176.591 176.600 -0.133 0.000 0.987 180 K CA -0.528 55.600 56.287 -0.265 0.000 0.868 180 K CB 1.928 34.069 32.500 -0.599 0.000 1.421 180 K HN -0.002 nan 8.250 nan 0.000 0.444 181 S N -0.124 115.484 115.700 -0.154 0.000 2.548 181 S HA 0.155 4.623 4.470 -0.004 0.000 0.215 181 S C 0.031 174.568 174.600 -0.104 0.000 0.976 181 S CA -0.032 58.158 58.200 -0.016 0.000 0.908 181 S CB -0.152 63.022 63.200 -0.043 0.000 0.781 181 S HN 0.427 nan 8.310 nan 0.000 0.519 182 K N 0.296 120.511 120.400 -0.310 0.000 2.427 182 K HA 0.578 4.896 4.320 -0.004 0.000 0.252 182 K C -1.990 174.421 176.600 -0.315 0.000 0.931 182 K CA -0.565 55.595 56.287 -0.212 0.000 0.793 182 K CB 1.893 34.169 32.500 -0.374 0.000 1.211 182 K HN 0.175 nan 8.250 nan 0.000 0.426 183 Y N 0.406 120.774 120.300 0.112 0.000 2.492 183 Y HA 0.190 4.738 4.550 -0.003 0.000 0.346 183 Y C 0.231 175.794 175.900 -0.562 0.000 0.997 183 Y CA -1.069 56.947 58.100 -0.141 0.000 1.025 183 Y CB 1.541 39.864 38.460 -0.229 0.000 1.263 183 Y HN 0.711 nan 8.280 nan 0.000 0.454 184 H N 0.099 118.740 119.070 -0.715 0.000 2.534 184 H HA 0.343 4.896 4.556 -0.005 0.000 0.364 184 H C 0.407 175.449 175.328 -0.476 0.000 1.328 184 H CA -0.742 54.634 56.048 -1.119 0.000 1.415 184 H CB 0.706 29.621 29.762 -1.411 0.000 1.573 184 H HN 0.683 nan 8.280 nan 0.000 0.601 185 L N -0.668 120.444 121.223 -0.185 0.000 2.465 185 L HA 0.040 4.377 4.340 -0.004 0.000 0.224 185 L C 1.199 178.042 176.870 -0.044 0.000 1.145 185 L CA 1.124 55.892 54.840 -0.119 0.000 0.834 185 L CB -0.275 41.740 42.059 -0.074 0.000 0.944 185 L HN 0.645 nan 8.230 nan 0.000 0.451 186 K N -0.950 119.498 120.400 0.079 0.000 2.455 186 K HA 0.119 4.436 4.320 -0.004 0.000 0.206 186 K C 0.082 176.651 176.600 -0.052 0.000 1.027 186 K CA -0.312 56.022 56.287 0.078 0.000 1.113 186 K CB 0.505 33.093 32.500 0.147 0.000 0.850 186 K HN 0.054 nan 8.250 nan 0.000 0.503 187 D N 0.469 120.603 120.400 -0.444 0.000 2.414 187 D HA 0.148 4.786 4.640 -0.004 0.000 0.259 187 D C -0.552 175.515 176.300 -0.389 0.000 1.269 187 D CA -0.015 53.626 54.000 -0.600 0.000 1.028 187 D CB 1.201 41.558 40.800 -0.738 0.000 1.093 187 D HN -0.263 nan 8.370 nan 0.000 0.545 188 V N 1.734 121.426 119.914 -0.369 0.000 2.531 188 V HA 0.336 4.453 4.120 -0.004 0.000 0.301 188 V C 0.099 176.004 176.094 -0.315 0.000 1.034 188 V CA -0.729 61.279 62.300 -0.487 0.000 0.865 188 V CB 1.652 33.077 31.823 -0.662 0.000 0.995 188 V HN 0.334 nan 8.190 nan 0.000 0.424 189 I N 4.727 125.049 120.570 -0.413 0.000 2.337 189 I HA 0.341 4.509 4.170 -0.004 0.000 0.291 189 I C -0.487 175.568 176.117 -0.103 0.000 1.046 189 I CA -0.349 60.721 61.300 -0.383 0.000 1.324 189 I CB 1.404 39.053 38.000 -0.585 0.000 1.409 189 I HN 0.278 nan 8.210 nan 0.000 0.494 190 V N 6.368 126.302 119.914 0.033 0.000 2.378 190 V HA 0.782 4.899 4.120 -0.004 0.000 0.288 190 V C 0.440 176.573 176.094 0.065 0.000 1.016 190 V CA -0.170 62.153 62.300 0.040 0.000 0.840 190 V CB 1.195 33.037 31.823 0.032 0.000 0.994 190 V HN 0.989 nan 8.190 nan 0.000 0.431 191 G N 4.125 112.966 108.800 0.068 0.000 2.815 191 G HA2 0.727 4.685 3.960 -0.004 0.000 0.305 191 G HA3 0.727 4.685 3.960 -0.004 0.000 0.305 191 G C -1.603 173.309 174.900 0.020 0.000 1.277 191 G CA -0.687 44.426 45.100 0.022 0.000 0.795 191 G HN 0.508 nan 8.290 nan 0.000 0.528 192 K N 0.010 120.375 120.400 -0.059 0.000 2.565 192 K HA 0.434 4.751 4.320 -0.004 0.000 0.251 192 K C -1.054 175.360 176.600 -0.310 0.000 0.956 192 K CA -0.721 55.406 56.287 -0.265 0.000 0.809 192 K CB 1.837 34.003 32.500 -0.556 0.000 1.267 192 K HN 0.270 nan 8.250 nan 0.000 0.438 193 I N 4.941 125.348 120.570 -0.272 0.000 2.337 193 I HA 0.133 4.301 4.170 -0.004 0.000 0.291 193 I C -0.626 175.192 176.117 -0.498 0.000 1.046 193 I CA -0.224 60.867 61.300 -0.347 0.000 1.324 193 I CB 0.051 37.808 38.000 -0.404 0.000 1.409 193 I HN 0.516 nan 8.210 nan 0.000 0.494 194 Y N 6.043 126.223 120.300 -0.199 0.000 2.342 194 Y HA 0.334 4.881 4.550 -0.005 0.000 0.338 194 Y C 0.025 175.781 175.900 -0.240 0.000 0.965 194 Y CA -0.912 57.100 58.100 -0.146 0.000 1.159 194 Y CB 0.695 39.115 38.460 -0.067 0.000 1.157 194 Y HN 0.278 nan 8.280 nan 0.000 0.486 195 F N 4.405 124.431 119.950 0.127 0.000 2.494 195 F HA 0.131 4.655 4.527 -0.004 0.000 0.351 195 F C 1.016 176.851 175.800 0.058 0.000 1.205 195 F CA 0.034 58.068 58.000 0.058 0.000 1.125 195 F CB 0.129 39.154 39.000 0.042 0.000 1.268 195 F HN 0.551 nan 8.300 nan 0.000 0.593 196 L N 1.204 122.508 121.223 0.136 0.000 2.291 196 L HA -0.007 4.330 4.340 -0.004 0.000 0.214 196 L C 0.817 177.794 176.870 0.179 0.000 1.120 196 L CA 0.733 55.653 54.840 0.134 0.000 0.799 196 L CB -0.176 41.938 42.059 0.091 0.000 0.925 196 L HN 0.574 nan 8.230 nan 0.000 0.446 197 S N -1.205 114.609 115.700 0.189 0.000 2.546 197 S HA 0.250 4.717 4.470 -0.004 0.000 0.303 197 S C -0.662 174.015 174.600 0.128 0.000 1.067 197 S CA -0.689 57.598 58.200 0.146 0.000 0.944 197 S CB 1.090 64.375 63.200 0.142 0.000 1.155 197 S HN -0.198 nan 8.310 nan 0.000 0.449 198 V N 5.594 125.559 119.914 0.084 0.000 2.802 198 V HA 0.327 4.445 4.120 -0.004 0.000 0.350 198 V C 1.266 177.375 176.094 0.026 0.000 1.233 198 V CA -0.457 61.875 62.300 0.054 0.000 1.337 198 V CB 0.510 32.335 31.823 0.005 0.000 1.497 198 V HN 0.789 nan 8.190 nan 0.000 0.616 199 E N 1.215 121.433 120.200 0.030 0.000 2.085 199 E HA -0.057 4.290 4.350 -0.004 0.000 0.194 199 E C 0.831 177.442 176.600 0.017 0.000 0.994 199 E CA 1.243 57.655 56.400 0.020 0.000 0.801 199 E CB 0.303 30.015 29.700 0.020 0.000 0.743 199 E HN 0.589 nan 8.360 nan 0.000 0.453 200 I N 1.379 121.960 120.570 0.019 0.000 2.566 200 I HA 0.106 4.274 4.170 -0.004 0.000 0.303 200 I C 0.780 176.910 176.117 0.021 0.000 0.983 200 I CA -0.910 60.404 61.300 0.023 0.000 1.235 200 I CB 0.866 38.885 38.000 0.033 0.000 1.386 200 I HN -0.304 nan 8.210 nan 0.000 0.494 201 K N 4.077 124.492 120.400 0.025 0.000 2.295 201 K HA 0.308 4.626 4.320 -0.004 0.000 0.270 201 K C -0.415 176.210 176.600 0.040 0.000 1.011 201 K CA -0.392 55.909 56.287 0.023 0.000 0.953 201 K CB 0.757 33.270 32.500 0.022 0.000 0.956 201 K HN 0.350 nan 8.250 nan 0.000 0.477 202 I N 3.979 124.575 120.570 0.042 0.000 2.291 202 I HA 0.061 4.228 4.170 -0.004 0.000 0.292 202 I C 1.591 177.760 176.117 0.086 0.000 1.064 202 I CA 0.117 61.460 61.300 0.071 0.000 1.269 202 I CB 0.847 38.903 38.000 0.093 0.000 1.418 202 I HN 0.578 nan 8.210 nan 0.000 0.485 203 K N 4.962 125.426 120.400 0.107 0.000 2.167 203 K HA -0.089 4.228 4.320 -0.004 0.000 0.203 203 K C -0.079 176.642 176.600 0.202 0.000 1.052 203 K CA 1.137 57.499 56.287 0.125 0.000 0.956 203 K CB 0.370 32.940 32.500 0.116 0.000 0.735 203 K HN 0.671 nan 8.250 nan 0.000 0.451 204 H N -1.174 117.944 119.070 0.080 0.000 3.121 204 H HA 0.353 4.907 4.556 -0.004 0.000 0.337 204 H C -1.815 173.570 175.328 0.095 0.000 1.198 204 H CA -0.624 55.473 56.048 0.082 0.000 1.274 204 H CB 0.916 30.724 29.762 0.077 0.000 1.954 204 H HN -0.044 nan 8.280 nan 0.000 0.531 205 M N 3.502 122.767 119.600 -0.558 0.000 2.433 205 M HA 0.363 4.841 4.480 -0.004 0.000 0.290 205 M C -1.479 174.503 176.300 -0.530 0.000 1.173 205 M CA -0.579 54.454 55.300 -0.446 0.000 0.905 205 M CB 3.008 35.525 32.600 -0.138 0.000 1.692 205 M HN 0.799 nan 8.290 nan 0.000 0.462 206 E N 2.710 122.705 120.200 -0.342 0.000 2.392 206 E HA 0.651 4.999 4.350 -0.004 0.000 0.279 206 E C -1.658 174.840 176.600 -0.170 0.000 0.964 206 E CA -0.910 55.384 56.400 -0.178 0.000 0.777 206 E CB 2.171 31.828 29.700 -0.072 0.000 1.249 206 E HN 0.612 nan 8.360 nan 0.000 0.449 207 I N 1.837 122.298 120.570 -0.181 0.000 2.362 207 I HA 0.348 4.515 4.170 -0.004 0.000 0.289 207 I C -0.847 175.179 176.117 -0.151 0.000 0.994 207 I CA -0.929 60.208 61.300 -0.272 0.000 1.158 207 I CB 1.319 38.990 38.000 -0.548 0.000 1.315 207 I HN 0.421 nan 8.210 nan 0.000 0.451 208 D N 6.789 127.110 120.400 -0.130 0.000 2.198 208 D HA 0.522 5.160 4.640 -0.004 0.000 0.247 208 D C -0.243 175.997 176.300 -0.100 0.000 1.010 208 D CA -0.231 53.712 54.000 -0.096 0.000 0.880 208 D CB 2.708 43.458 40.800 -0.084 0.000 1.209 208 D HN 0.291 nan 8.370 nan 0.000 0.451 209 I N 2.251 122.754 120.570 -0.111 0.000 2.312 209 I HA 0.301 4.468 4.170 -0.004 0.000 0.290 209 I C -0.047 176.060 176.117 -0.016 0.000 1.008 209 I CA -0.428 60.823 61.300 -0.082 0.000 1.226 209 I CB 0.773 38.669 38.000 -0.172 0.000 1.371 209 I HN 0.066 nan 8.210 nan 0.000 0.468 210 I N 6.543 127.152 120.570 0.065 0.000 2.404 210 I HA 0.331 4.499 4.170 -0.004 0.000 0.293 210 I C -0.046 176.149 176.117 0.130 0.000 0.992 210 I CA -0.815 60.525 61.300 0.067 0.000 1.149 210 I CB 1.871 39.876 38.000 0.009 0.000 1.315 210 I HN 0.495 nan 8.210 nan 0.000 0.446 211 K N 7.071 127.498 120.400 0.045 0.000 2.253 211 K HA 0.453 4.770 4.320 -0.004 0.000 0.277 211 K C -0.736 175.812 176.600 -0.087 0.000 1.053 211 K CA -0.576 55.623 56.287 -0.146 0.000 0.892 211 K CB 0.767 33.209 32.500 -0.097 0.000 1.102 211 K HN 0.578 nan 8.250 nan 0.000 0.469 212 R N 3.418 123.873 120.500 -0.075 0.000 2.310 212 R HA 0.140 4.477 4.340 -0.004 0.000 0.324 212 R C -0.795 175.500 176.300 -0.009 0.000 0.955 212 R CA -0.577 55.520 56.100 -0.005 0.000 0.830 212 R CB 1.631 31.947 30.300 0.026 0.000 1.154 212 R HN 0.609 nan 8.270 nan 0.000 0.458 213 E N 2.768 122.982 120.200 0.023 0.000 2.113 213 E HA 0.171 4.519 4.350 -0.004 0.000 0.273 213 E C -1.004 175.624 176.600 0.047 0.000 0.924 213 E CA -0.382 56.047 56.400 0.048 0.000 0.764 213 E CB 1.254 31.009 29.700 0.091 0.000 1.104 213 E HN 0.365 nan 8.360 nan 0.000 0.406 214 T N 3.566 118.142 114.554 0.036 0.000 2.758 214 T HA 0.300 4.648 4.350 -0.004 0.000 0.285 214 T C -0.507 174.194 174.700 0.002 0.000 0.981 214 T CA -0.435 61.636 62.100 -0.049 0.000 0.965 214 T CB 1.421 70.275 68.868 -0.023 0.000 0.927 214 T HN 0.264 nan 8.240 nan 0.000 0.448 215 T N 2.679 117.211 114.554 -0.036 0.000 2.786 215 T HA 0.584 4.932 4.350 -0.004 0.000 0.283 215 T C 0.505 175.249 174.700 0.073 0.000 0.992 215 T CA -0.724 61.417 62.100 0.068 0.000 0.954 215 T CB 1.342 70.253 68.868 0.072 0.000 0.934 215 T HN 0.691 nan 8.240 nan 0.000 0.440 216 G N 2.043 110.881 108.800 0.063 0.000 2.319 216 G HA2 0.548 4.506 3.960 -0.004 0.000 0.308 216 G HA3 0.548 4.506 3.960 -0.004 0.000 0.308 216 G C -0.555 174.395 174.900 0.083 0.000 1.117 216 G CA -0.432 44.693 45.100 0.042 0.000 0.903 216 G HN 0.623 nan 8.290 nan 0.000 0.436 217 T N 1.310 115.953 114.554 0.147 0.000 3.050 217 T HA 0.617 4.964 4.350 -0.004 0.000 0.310 217 T C 0.844 175.634 174.700 0.151 0.000 0.978 217 T CA 0.503 62.704 62.100 0.167 0.000 1.013 217 T CB 1.120 70.137 68.868 0.248 0.000 1.000 217 T HN 1.705 nan 8.240 nan 0.000 0.447 218 G N 5.271 114.131 108.800 0.099 0.000 2.583 218 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.292 218 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.292 218 G C -1.874 173.050 174.900 0.041 0.000 1.203 218 G CA 0.087 45.233 45.100 0.077 0.000 0.987 218 G HN 0.657 nan 8.290 nan 0.000 0.554 219 P HA 0.234 nan 4.420 nan 0.000 0.262 219 P C 0.097 177.372 177.300 -0.041 0.000 1.304 219 P CA 0.362 63.460 63.100 -0.004 0.000 0.859 219 P CB -0.002 31.697 31.700 -0.001 0.000 1.310 220 N N -0.839 117.829 118.700 -0.053 0.000 2.370 220 N HA 0.479 5.217 4.740 -0.004 0.000 0.303 220 N C -1.305 174.048 175.510 -0.262 0.000 1.103 220 N CA -0.899 52.031 53.050 -0.199 0.000 0.848 220 N CB 2.224 40.547 38.487 -0.272 0.000 1.235 220 N HN -0.346 nan 8.380 nan 0.000 0.496 221 V N 1.847 121.497 119.914 -0.439 0.000 2.604 221 V HA 0.432 4.550 4.120 -0.004 0.000 0.305 221 V C -1.159 174.487 176.094 -0.748 0.000 1.043 221 V CA -0.677 61.380 62.300 -0.405 0.000 0.888 221 V CB 0.754 32.446 31.823 -0.218 0.000 0.995 221 V HN 0.583 nan 8.190 nan 0.000 0.429 222 Y N 2.518 122.578 120.300 -0.401 0.000 2.487 222 Y HA 0.688 5.235 4.550 -0.004 0.000 0.337 222 Y C 0.301 175.886 175.900 -0.525 0.000 1.076 222 Y CA -0.762 57.136 58.100 -0.336 0.000 1.115 222 Y CB 1.788 40.094 38.460 -0.257 0.000 1.235 222 Y HN 0.564 nan 8.280 nan 0.000 0.468 223 H N 1.188 120.313 119.070 0.092 0.000 2.856 223 H HA 0.341 4.894 4.556 -0.004 0.000 0.355 223 H C -1.475 173.887 175.328 0.056 0.000 1.079 223 H CA -0.816 55.259 56.048 0.045 0.000 1.240 223 H CB 2.531 32.287 29.762 -0.010 0.000 1.701 223 H HN 0.608 nan 8.280 nan 0.000 0.527 224 E N 2.809 123.091 120.200 0.137 0.000 2.256 224 E HA 0.268 4.615 4.350 -0.004 0.000 0.268 224 E C -1.202 175.434 176.600 0.059 0.000 0.877 224 E CA -0.718 55.739 56.400 0.095 0.000 0.757 224 E CB 1.134 30.884 29.700 0.083 0.000 1.183 224 E HN 0.474 nan 8.360 nan 0.000 0.418 225 N N 3.274 121.996 118.700 0.036 0.000 2.361 225 N HA 0.376 5.114 4.740 -0.004 0.000 0.302 225 N C -1.489 174.027 175.510 0.010 0.000 1.074 225 N CA -0.628 52.424 53.050 0.005 0.000 0.850 225 N CB 1.728 40.198 38.487 -0.028 0.000 1.228 225 N HN 0.478 nan 8.380 nan 0.000 0.491 226 D N 0.184 120.589 120.400 0.008 0.000 2.788 226 D HA 0.224 4.862 4.640 -0.004 0.000 0.247 226 D C -1.038 175.269 176.300 0.010 0.000 1.236 226 D CA -0.249 53.762 54.000 0.018 0.000 0.898 226 D CB 1.216 42.041 40.800 0.041 0.000 1.401 226 D HN 0.178 nan 8.370 nan 0.000 0.549 227 T N 5.548 120.100 114.554 -0.002 0.000 2.738 227 T HA 0.120 4.468 4.350 -0.004 0.000 0.294 227 T C 1.798 176.486 174.700 -0.020 0.000 0.914 227 T CA -0.444 61.645 62.100 -0.018 0.000 1.052 227 T CB 0.336 69.187 68.868 -0.027 0.000 0.897 227 T HN 0.334 nan 8.240 nan 0.000 0.522 228 I N 1.822 122.366 120.570 -0.043 0.000 2.333 228 I HA 0.152 4.319 4.170 -0.004 0.000 0.246 228 I C 1.375 177.337 176.117 -0.259 0.000 1.106 228 I CA 0.684 61.923 61.300 -0.101 0.000 1.411 228 I CB -0.917 37.013 38.000 -0.117 0.000 1.082 228 I HN 0.568 nan 8.210 nan 0.000 0.420 229 A N 1.451 124.098 122.820 -0.288 0.000 2.488 229 A HA 0.599 4.916 4.320 -0.004 0.000 0.298 229 A C -0.470 177.053 177.584 -0.102 0.000 1.044 229 A CA -0.674 51.196 52.037 -0.278 0.000 0.693 229 A CB 1.486 20.105 19.000 -0.635 0.000 1.272 229 A HN 0.227 nan 8.150 nan 0.000 0.402 230 K N 1.705 122.099 120.400 -0.009 0.000 2.545 230 K HA 0.506 4.823 4.320 -0.004 0.000 0.252 230 K C -1.985 174.662 176.600 0.079 0.000 0.948 230 K CA -0.468 55.834 56.287 0.024 0.000 0.827 230 K CB 1.656 34.171 32.500 0.024 0.000 1.128 230 K HN 0.655 nan 8.250 nan 0.000 0.429 231 Y N 2.972 123.240 120.300 -0.053 0.000 2.434 231 Y HA 0.179 4.727 4.550 -0.004 0.000 0.341 231 Y C -0.672 175.197 175.900 -0.051 0.000 0.965 231 Y CA -0.431 57.644 58.100 -0.042 0.000 1.205 231 Y CB 1.018 39.431 38.460 -0.079 0.000 1.121 231 Y HN 0.657 nan 8.280 nan 0.000 0.507 232 E N 5.369 125.631 120.200 0.104 0.000 2.259 232 E HA 0.197 4.544 4.350 -0.004 0.000 0.281 232 E C -0.969 175.717 176.600 0.143 0.000 1.027 232 E CA -0.699 55.777 56.400 0.126 0.000 0.838 232 E CB 1.378 31.175 29.700 0.161 0.000 1.066 232 E HN 0.494 nan 8.360 nan 0.000 0.401 233 I N 3.171 123.808 120.570 0.112 0.000 2.395 233 I HA 0.084 4.251 4.170 -0.004 0.000 0.289 233 I C 0.046 176.236 176.117 0.122 0.000 1.023 233 I CA -0.119 61.258 61.300 0.129 0.000 1.350 233 I CB 0.663 38.712 38.000 0.083 0.000 1.409 233 I HN 0.479 nan 8.210 nan 0.000 0.507 234 M N 5.868 125.539 119.600 0.118 0.000 2.274 234 M HA 0.321 4.799 4.480 -0.004 0.000 0.344 234 M C -0.431 175.918 176.300 0.083 0.000 1.161 234 M CA -0.004 55.351 55.300 0.091 0.000 1.126 234 M CB 0.311 32.951 32.600 0.066 0.000 1.522 234 M HN 0.781 nan 8.290 nan 0.000 0.461 235 D N 1.206 121.646 120.400 0.067 0.000 10.579 235 D HA -0.114 4.524 4.640 -0.004 0.000 0.361 235 D C -0.172 176.149 176.300 0.036 0.000 3.052 235 D CA 1.011 55.037 54.000 0.044 0.000 2.480 235 D CB -1.046 39.769 40.800 0.026 0.000 1.162 235 D HN 0.869 nan 8.370 nan 0.000 0.997 236 G N -1.194 107.614 108.800 0.012 0.000 4.486 236 G HA2 0.605 4.563 3.960 -0.004 0.000 0.306 236 G HA3 0.605 4.563 3.960 -0.004 0.000 0.306 236 G C 0.628 175.499 174.900 -0.048 0.000 1.331 236 G CA 0.251 45.346 45.100 -0.008 0.000 1.113 236 G HN 1.009 nan 8.290 nan 0.000 0.594 237 A N 0.621 123.398 122.820 -0.072 0.000 2.345 237 A HA 0.470 4.787 4.320 -0.004 0.000 0.225 237 A C -1.893 175.569 177.584 -0.204 0.000 1.243 237 A CA -0.403 51.573 52.037 -0.100 0.000 0.875 237 A CB 0.088 19.050 19.000 -0.062 0.000 0.929 237 A HN 0.354 nan 8.150 nan 0.000 0.502 238 P HA 0.435 nan 4.420 nan 0.000 0.279 238 P C -0.520 176.508 177.300 -0.454 0.000 1.239 238 P CA -0.190 62.485 63.100 -0.708 0.000 0.789 238 P CB 1.572 32.467 31.700 -1.342 0.000 0.933 239 V N 0.022 119.707 119.914 -0.381 0.000 3.049 239 V HA 0.567 4.685 4.120 -0.004 0.000 0.309 239 V C -0.129 175.920 176.094 -0.075 0.000 1.148 239 V CA -1.479 60.720 62.300 -0.169 0.000 0.990 239 V CB 1.913 33.680 31.823 -0.094 0.000 1.039 239 V HN 0.371 nan 8.190 nan 0.000 0.430 240 R N 1.722 122.227 120.500 0.008 0.000 2.598 240 R HA 0.285 4.622 4.340 -0.004 0.000 0.266 240 R C 1.504 177.858 176.300 0.089 0.000 0.977 240 R CA 1.257 57.406 56.100 0.081 0.000 1.097 240 R CB -0.330 30.008 30.300 0.064 0.000 0.911 240 R HN 1.872 nan 8.270 nan 0.000 0.419 241 G N 1.229 110.111 108.800 0.137 0.000 2.304 241 G HA2 -0.347 3.610 3.960 -0.004 0.000 0.252 241 G HA3 -0.347 3.610 3.960 -0.004 0.000 0.252 241 G C 0.004 175.009 174.900 0.174 0.000 1.014 241 G CA 0.345 45.520 45.100 0.125 0.000 0.619 241 G HN 0.653 nan 8.290 nan 0.000 0.525 242 E N 1.343 121.657 120.200 0.189 0.000 2.373 242 E HA 0.476 4.824 4.350 -0.004 0.000 0.267 242 E C 0.610 177.462 176.600 0.420 0.000 1.032 242 E CA 0.545 57.078 56.400 0.222 0.000 0.889 242 E CB 0.956 30.703 29.700 0.079 0.000 0.984 242 E HN 0.570 nan 8.360 nan 0.000 0.425 243 S N 2.935 118.818 115.700 0.305 0.000 2.677 243 S HA 0.725 5.193 4.470 -0.004 0.000 0.304 243 S C -0.519 174.175 174.600 0.156 0.000 1.108 243 S CA -0.857 57.479 58.200 0.227 0.000 0.944 243 S CB 1.122 64.433 63.200 0.185 0.000 1.127 243 S HN 0.408 nan 8.310 nan 0.000 0.511 244 I N 1.221 121.805 120.570 0.024 0.000 2.569 244 I HA 0.437 4.605 4.170 -0.004 0.000 0.290 244 I C -2.887 173.203 176.117 -0.046 0.000 1.088 244 I CA -2.508 58.812 61.300 0.034 0.000 1.047 244 I CB 2.759 40.803 38.000 0.074 0.000 1.237 244 I HN 0.452 nan 8.210 nan 0.000 0.421 245 P HA 0.413 nan 4.420 nan 0.000 0.284 245 P C -1.110 176.162 177.300 -0.048 0.000 1.253 245 P CA -0.329 62.762 63.100 -0.015 0.000 0.800 245 P CB 0.978 32.699 31.700 0.034 0.000 0.961 246 I N 3.198 123.720 120.570 -0.079 0.000 2.466 246 I HA 0.403 4.571 4.170 -0.004 0.000 0.289 246 I C 0.232 176.300 176.117 -0.082 0.000 1.026 246 I CA -0.541 60.615 61.300 -0.239 0.000 1.078 246 I CB 1.900 39.718 38.000 -0.303 0.000 1.249 246 I HN 0.283 nan 8.210 nan 0.000 0.429 247 R N 6.358 126.853 120.500 -0.009 0.000 2.473 247 R HA 0.627 4.965 4.340 -0.004 0.000 0.303 247 R C -1.268 175.163 176.300 0.218 0.000 1.002 247 R CA -0.670 55.497 56.100 0.110 0.000 0.884 247 R CB 2.228 32.660 30.300 0.220 0.000 1.173 247 R HN 0.472 nan 8.270 nan 0.000 0.464 248 L N 4.286 125.555 121.223 0.076 0.000 2.294 248 L HA 0.454 4.791 4.340 -0.004 0.000 0.283 248 L C -0.622 176.295 176.870 0.078 0.000 1.015 248 L CA -0.559 54.371 54.840 0.150 0.000 0.831 248 L CB 0.960 43.024 42.059 0.009 0.000 1.217 248 L HN 0.459 nan 8.230 nan 0.000 0.420 249 F N 3.963 123.965 119.950 0.087 0.000 2.413 249 F HA 0.198 4.722 4.527 -0.004 0.000 0.359 249 F C 1.310 177.164 175.800 0.090 0.000 1.122 249 F CA -0.323 57.699 58.000 0.036 0.000 1.160 249 F CB 0.890 39.889 39.000 -0.001 0.000 1.146 249 F HN 0.466 nan 8.300 nan 0.000 0.514 250 L N 3.122 124.401 121.223 0.093 0.000 2.156 250 L HA -0.154 4.184 4.340 -0.004 0.000 0.208 250 L C 2.502 179.463 176.870 0.152 0.000 1.095 250 L CA 0.939 55.864 54.840 0.141 0.000 0.770 250 L CB -0.663 41.347 42.059 -0.082 0.000 0.914 250 L HN 0.776 nan 8.230 nan 0.000 0.439 251 A N 0.833 123.710 122.820 0.095 0.000 1.948 251 A HA -0.180 4.137 4.320 -0.004 0.000 0.220 251 A C 2.379 179.963 177.584 0.001 0.000 1.177 251 A CA 1.897 53.972 52.037 0.063 0.000 0.636 251 A CB -1.210 17.848 19.000 0.097 0.000 0.815 251 A HN 0.447 nan 8.150 nan 0.000 0.449 252 G N -2.033 106.702 108.800 -0.108 0.000 2.471 252 G HA2 0.091 4.048 3.960 -0.004 0.000 0.219 252 G HA3 0.091 4.048 3.960 -0.004 0.000 0.219 252 G C 0.480 175.206 174.900 -0.289 0.000 1.125 252 G CA 0.413 45.360 45.100 -0.256 0.000 0.775 252 G HN 0.479 nan 8.290 nan 0.000 0.548 253 Y N -0.068 120.245 120.300 0.022 0.000 2.307 253 Y HA 0.469 5.017 4.550 -0.004 0.000 0.324 253 Y C 0.430 176.342 175.900 0.019 0.000 1.238 253 Y CA -1.283 56.828 58.100 0.018 0.000 1.280 253 Y CB 0.822 39.288 38.460 0.010 0.000 1.248 253 Y HN -0.077 nan 8.280 nan 0.000 0.508 254 E N 2.246 122.572 120.200 0.211 0.000 2.166 254 E HA 0.341 4.689 4.350 -0.004 0.000 0.279 254 E C -1.340 175.351 176.600 0.152 0.000 1.095 254 E CA 0.211 56.697 56.400 0.143 0.000 0.888 254 E CB 0.013 29.784 29.700 0.119 0.000 1.041 254 E HN 0.406 nan 8.360 nan 0.000 0.414 255 L N 2.782 124.069 121.223 0.107 0.000 2.401 255 L HA 0.537 4.874 4.340 -0.004 0.000 0.266 255 L C -0.021 176.900 176.870 0.086 0.000 0.991 255 L CA -0.909 53.965 54.840 0.057 0.000 0.818 255 L CB 2.282 44.278 42.059 -0.105 0.000 1.321 255 L HN 0.490 nan 8.230 nan 0.000 0.413 256 T N -0.756 113.906 114.554 0.180 0.000 2.940 256 T HA 0.676 5.023 4.350 -0.004 0.000 0.288 256 T C -2.746 172.051 174.700 0.162 0.000 1.033 256 T CA -2.292 59.939 62.100 0.219 0.000 1.033 256 T CB 1.988 71.079 68.868 0.371 0.000 1.079 256 T HN 0.156 nan 8.240 nan 0.000 0.496 257 P HA 0.185 nan 4.420 nan 0.000 0.270 257 P C -0.010 177.453 177.300 0.273 0.000 1.227 257 P CA -0.196 63.011 63.100 0.178 0.000 0.788 257 P CB -0.100 31.723 31.700 0.204 0.000 0.926 258 T N 2.378 117.097 114.554 0.274 0.000 2.928 258 T HA 0.202 4.550 4.350 -0.004 0.000 0.305 258 T C 0.318 175.092 174.700 0.124 0.000 1.035 258 T CA 0.656 62.907 62.100 0.251 0.000 1.145 258 T CB -0.410 68.575 68.868 0.195 0.000 0.963 258 T HN 0.245 nan 8.240 nan 0.000 0.545 259 M N 3.202 122.811 119.600 0.015 0.000 2.197 259 M HA 0.432 4.910 4.480 -0.004 0.000 0.301 259 M C -0.326 175.861 176.300 -0.188 0.000 0.987 259 M CA -0.738 54.504 55.300 -0.097 0.000 0.921 259 M CB 2.029 34.525 32.600 -0.173 0.000 1.569 259 M HN 0.203 nan 8.290 nan 0.000 0.431 260 R N 2.459 122.855 120.500 -0.174 0.000 2.272 260 R HA 0.245 4.583 4.340 -0.004 0.000 0.323 260 R C -0.776 175.387 176.300 -0.228 0.000 1.002 260 R CA 0.293 56.299 56.100 -0.157 0.000 0.900 260 R CB 0.052 30.311 30.300 -0.069 0.000 1.151 260 R HN 0.735 nan 8.270 nan 0.000 0.507 261 D N 3.914 124.138 120.400 -0.294 0.000 2.716 261 D HA -0.170 4.467 4.640 -0.004 0.000 0.239 261 D C -0.464 175.595 176.300 -0.402 0.000 1.125 261 D CA 0.548 54.374 54.000 -0.290 0.000 0.681 261 D CB -0.113 40.592 40.800 -0.159 0.000 1.070 261 D HN 0.392 nan 8.370 nan 0.000 0.432 262 I N 1.570 121.711 120.570 -0.716 0.000 2.576 262 I HA -0.047 4.121 4.170 -0.004 0.000 0.288 262 I C 1.721 177.421 176.117 -0.696 0.000 1.126 262 I CA 0.607 61.362 61.300 -0.909 0.000 1.362 262 I CB -0.707 36.452 38.000 -1.402 0.000 1.419 262 I HN 0.328 nan 8.210 nan 0.000 0.533 263 N N 5.325 123.713 118.700 -0.521 0.000 2.708 263 N HA -0.222 4.515 4.740 -0.004 0.000 0.249 263 N C -0.083 175.321 175.510 -0.177 0.000 1.097 263 N CA 0.440 53.333 53.050 -0.261 0.000 0.710 263 N CB -0.200 38.131 38.487 -0.261 0.000 1.032 263 N HN 0.553 nan 8.380 nan 0.000 0.551 264 K N -2.320 117.966 120.400 -0.190 0.000 3.160 264 K HA -0.223 4.094 4.320 -0.004 0.000 0.280 264 K C 0.361 176.894 176.600 -0.113 0.000 1.154 264 K CA 1.307 57.516 56.287 -0.130 0.000 0.822 264 K CB -1.357 31.098 32.500 -0.076 0.000 1.239 264 K HN 0.608 nan 8.250 nan 0.000 0.489 265 K N -0.592 119.730 120.400 -0.130 0.000 2.436 265 K HA 0.165 4.482 4.320 -0.004 0.000 0.198 265 K C 0.711 177.389 176.600 0.130 0.000 1.174 265 K CA 0.759 57.040 56.287 -0.009 0.000 0.951 265 K CB 0.570 33.088 32.500 0.030 0.000 1.040 265 K HN 0.236 nan 8.250 nan 0.000 0.536 266 F N -1.369 118.500 119.950 -0.136 0.000 2.719 266 F HA 0.544 5.069 4.527 -0.003 0.000 0.309 266 F C -1.493 174.223 175.800 -0.139 0.000 1.138 266 F CA -1.018 56.910 58.000 -0.120 0.000 0.943 266 F CB 1.343 40.285 39.000 -0.096 0.000 1.304 266 F HN -0.366 nan 8.300 nan 0.000 0.445 267 S N 1.173 116.845 115.700 -0.046 0.000 2.536 267 S HA 0.786 5.253 4.470 -0.004 0.000 0.287 267 S C -1.496 173.087 174.600 -0.029 0.000 1.101 267 S CA -0.781 57.327 58.200 -0.153 0.000 0.950 267 S CB 2.138 65.279 63.200 -0.098 0.000 1.056 267 S HN 0.637 nan 8.310 nan 0.000 0.481 268 V N 3.537 123.379 119.914 -0.120 0.000 2.407 268 V HA 0.557 4.674 4.120 -0.004 0.000 0.291 268 V C -0.262 175.720 176.094 -0.188 0.000 1.018 268 V CA -0.579 61.618 62.300 -0.171 0.000 0.842 268 V CB 1.232 32.882 31.823 -0.290 0.000 0.996 268 V HN 0.756 nan 8.190 nan 0.000 0.426 269 R N 3.332 123.698 120.500 -0.223 0.000 2.750 269 R HA 0.708 5.045 4.340 -0.004 0.000 0.281 269 R C -1.763 174.329 176.300 -0.347 0.000 0.972 269 R CA -0.794 55.193 56.100 -0.188 0.000 0.912 269 R CB 2.567 32.859 30.300 -0.013 0.000 1.187 269 R HN 0.595 nan 8.270 nan 0.000 0.464 270 Y N 0.753 120.965 120.300 -0.147 0.000 2.429 270 Y HA 0.472 5.019 4.550 -0.005 0.000 0.342 270 Y C -0.726 174.974 175.900 -0.334 0.000 1.004 270 Y CA -0.613 57.435 58.100 -0.086 0.000 1.075 270 Y CB 1.679 40.101 38.460 -0.063 0.000 1.214 270 Y HN 0.422 nan 8.280 nan 0.000 0.455 271 Y N 1.840 122.203 120.300 0.105 0.000 2.457 271 Y HA 0.467 5.015 4.550 -0.004 0.000 0.343 271 Y C -0.837 175.057 175.900 -0.010 0.000 0.994 271 Y CA -1.121 57.002 58.100 0.039 0.000 1.031 271 Y CB 1.589 40.055 38.460 0.010 0.000 1.246 271 Y HN 0.348 nan 8.280 nan 0.000 0.449 272 L N 3.932 125.205 121.223 0.085 0.000 2.313 272 L HA 0.264 4.602 4.340 -0.004 0.000 0.282 272 L C -0.028 176.881 176.870 0.065 0.000 1.092 272 L CA 0.056 54.898 54.840 0.003 0.000 0.831 272 L CB 0.344 42.339 42.059 -0.107 0.000 1.159 272 L HN 0.656 nan 8.230 nan 0.000 0.442 273 N N 4.006 122.707 118.700 0.001 0.000 2.442 273 N HA 0.265 5.002 4.740 -0.004 0.000 0.274 273 N C -1.572 173.908 175.510 -0.049 0.000 1.002 273 N CA -0.729 52.314 53.050 -0.013 0.000 0.910 273 N CB 1.843 40.289 38.487 -0.069 0.000 1.244 273 N HN 0.300 nan 8.380 nan 0.000 0.492 274 L N 5.019 126.246 121.223 0.006 0.000 2.264 274 L HA 0.448 4.785 4.340 -0.004 0.000 0.289 274 L C -1.055 175.860 176.870 0.075 0.000 1.044 274 L CA -0.479 54.355 54.840 -0.010 0.000 0.807 274 L CB 1.164 43.247 42.059 0.040 0.000 1.192 274 L HN 0.209 nan 8.230 nan 0.000 0.425 275 V N 6.784 126.723 119.914 0.041 0.000 2.417 275 V HA 0.472 4.589 4.120 -0.004 0.000 0.291 275 V C -0.320 175.834 176.094 0.100 0.000 1.024 275 V CA -0.629 61.776 62.300 0.176 0.000 0.861 275 V CB 1.707 33.601 31.823 0.119 0.000 0.985 275 V HN 0.617 nan 8.190 nan 0.000 0.436 276 L N 6.547 127.892 121.223 0.203 0.000 2.376 276 L HA 0.651 4.988 4.340 -0.004 0.000 0.275 276 L C -1.227 175.791 176.870 0.246 0.000 0.987 276 L CA -0.449 54.473 54.840 0.136 0.000 0.828 276 L CB 1.698 43.806 42.059 0.081 0.000 1.249 276 L HN 0.579 nan 8.230 nan 0.000 0.409 277 I N 3.830 124.523 120.570 0.204 0.000 2.389 277 I HA 0.237 4.405 4.170 -0.004 0.000 0.288 277 I C -0.535 175.701 176.117 0.198 0.000 0.999 277 I CA -0.802 60.639 61.300 0.234 0.000 1.129 277 I CB 1.874 40.016 38.000 0.237 0.000 1.288 277 I HN 0.557 nan 8.210 nan 0.000 0.444 278 D N 4.550 125.088 120.400 0.230 0.000 2.383 278 D HA -0.002 4.635 4.640 -0.004 0.000 0.248 278 D C 0.922 177.295 176.300 0.121 0.000 1.170 278 D CA -0.492 53.606 54.000 0.162 0.000 0.977 278 D CB 0.834 41.744 40.800 0.184 0.000 1.120 278 D HN 0.652 nan 8.370 nan 0.000 0.481 279 E N -0.682 119.571 120.200 0.089 0.000 2.273 279 E HA -0.299 4.049 4.350 -0.004 0.000 0.198 279 E C 0.674 177.311 176.600 0.061 0.000 1.002 279 E CA 0.963 57.403 56.400 0.067 0.000 0.828 279 E CB 0.120 29.850 29.700 0.050 0.000 0.747 279 E HN 0.490 nan 8.360 nan 0.000 0.491 280 E N 0.320 120.562 120.200 0.071 0.000 2.403 280 E HA -0.026 4.322 4.350 -0.004 0.000 0.188 280 E C -0.407 176.222 176.600 0.048 0.000 1.056 280 E CA 0.095 56.528 56.400 0.054 0.000 0.892 280 E CB 0.119 29.852 29.700 0.055 0.000 1.049 280 E HN 0.163 nan 8.360 nan 0.000 0.465 281 E N -0.439 119.798 120.200 0.061 0.000 3.286 281 E HA -0.262 4.085 4.350 -0.004 0.000 0.292 281 E C -0.494 176.122 176.600 0.028 0.000 0.928 281 E CA 0.558 56.988 56.400 0.050 0.000 0.982 281 E CB -1.398 28.319 29.700 0.029 0.000 1.500 281 E HN 0.386 nan 8.360 nan 0.000 0.441 282 R N 0.786 121.310 120.500 0.041 0.000 2.265 282 R HA 0.335 4.673 4.340 -0.004 0.000 0.314 282 R C 0.280 176.518 176.300 -0.103 0.000 1.053 282 R CA -0.566 55.489 56.100 -0.074 0.000 0.931 282 R CB 0.736 30.973 30.300 -0.105 0.000 1.024 282 R HN -0.144 nan 8.270 nan 0.000 0.457 283 R N 2.359 122.683 120.500 -0.293 0.000 2.308 283 R HA 0.198 4.535 4.340 -0.004 0.000 0.305 283 R C -1.066 174.823 176.300 -0.684 0.000 1.053 283 R CA 0.133 56.005 56.100 -0.380 0.000 0.957 283 R CB 0.515 30.473 30.300 -0.570 0.000 1.022 283 R HN 0.479 nan 8.270 nan 0.000 0.461 284 Y N 3.555 123.661 120.300 -0.324 0.000 2.338 284 Y HA 0.468 5.015 4.550 -0.004 0.000 0.333 284 Y C -0.743 175.126 175.900 -0.051 0.000 0.968 284 Y CA -0.859 57.110 58.100 -0.217 0.000 1.123 284 Y CB 1.177 39.611 38.460 -0.043 0.000 1.165 284 Y HN 0.333 nan 8.280 nan 0.000 0.452 285 F N 2.279 122.303 119.950 0.124 0.000 2.508 285 F HA 0.706 5.230 4.527 -0.004 0.000 0.325 285 F C -0.196 175.651 175.800 0.077 0.000 1.090 285 F CA -1.694 56.351 58.000 0.075 0.000 0.945 285 F CB 2.130 41.147 39.000 0.028 0.000 1.156 285 F HN 0.225 nan 8.300 nan 0.000 0.463 286 K N 1.924 122.484 120.400 0.267 0.000 2.469 286 K HA 0.580 4.897 4.320 -0.004 0.000 0.254 286 K C -1.472 175.215 176.600 0.145 0.000 0.939 286 K CA -0.630 55.768 56.287 0.185 0.000 0.812 286 K CB 2.157 34.758 32.500 0.168 0.000 1.301 286 K HN 0.770 nan 8.250 nan 0.000 0.433 287 Q N 1.483 121.364 119.800 0.135 0.000 2.421 287 Q HA 0.582 4.919 4.340 -0.004 0.000 0.280 287 Q C -1.352 174.781 176.000 0.222 0.000 1.085 287 Q CA -0.973 54.920 55.803 0.150 0.000 0.807 287 Q CB 2.508 31.289 28.738 0.072 0.000 1.405 287 Q HN 0.468 nan 8.270 nan 0.000 0.419 288 Q N 0.469 120.435 119.800 0.276 0.000 2.340 288 Q HA 0.247 4.585 4.340 -0.004 0.000 0.276 288 Q C -1.756 174.362 176.000 0.198 0.000 1.048 288 Q CA -0.602 55.359 55.803 0.264 0.000 0.832 288 Q CB 2.787 31.679 28.738 0.257 0.000 1.373 288 Q HN 0.738 nan 8.270 nan 0.000 0.409 289 E N 1.594 121.826 120.200 0.053 0.000 2.338 289 E HA 0.333 4.680 4.350 -0.004 0.000 0.272 289 E C -0.950 175.595 176.600 -0.091 0.000 1.029 289 E CA -0.463 55.757 56.400 -0.301 0.000 0.872 289 E CB 0.859 30.330 29.700 -0.381 0.000 1.015 289 E HN 0.381 nan 8.360 nan 0.000 0.417 290 V N 1.655 121.512 119.914 -0.094 0.000 2.513 290 V HA 0.465 4.582 4.120 -0.004 0.000 0.299 290 V C -0.213 175.899 176.094 0.030 0.000 1.035 290 V CA -1.055 61.269 62.300 0.042 0.000 0.889 290 V CB 1.577 33.484 31.823 0.141 0.000 0.988 290 V HN 0.394 nan 8.190 nan 0.000 0.440 291 V N 5.942 125.880 119.914 0.041 0.000 2.408 291 V HA 0.348 4.466 4.120 -0.004 0.000 0.267 291 V C 0.233 176.421 176.094 0.157 0.000 1.047 291 V CA -0.209 62.131 62.300 0.067 0.000 0.937 291 V CB 0.919 32.738 31.823 -0.007 0.000 0.999 291 V HN 0.744 nan 8.190 nan 0.000 0.472 292 L N 6.339 127.649 121.223 0.145 0.000 2.307 292 L HA 0.601 4.939 4.340 -0.004 0.000 0.282 292 L C -0.304 176.713 176.870 0.244 0.000 1.051 292 L CA -0.351 54.534 54.840 0.075 0.000 0.804 292 L CB 1.128 43.050 42.059 -0.228 0.000 1.197 292 L HN 0.748 nan 8.230 nan 0.000 0.431 293 W N 2.524 123.878 121.300 0.090 0.000 3.031 293 W HA 0.579 5.238 4.660 -0.002 0.000 0.337 293 W C -1.281 175.334 176.519 0.161 0.000 1.187 293 W CA -1.153 56.292 57.345 0.166 0.000 1.166 293 W CB 1.472 31.118 29.460 0.310 0.000 1.437 293 W HN 0.467 nan 8.180 nan 0.000 0.551 294 R N 2.823 123.519 120.500 0.328 0.000 2.265 294 R HA 0.296 4.633 4.340 -0.004 0.000 0.319 294 R C -0.496 175.947 176.300 0.238 0.000 1.006 294 R CA -0.521 55.664 56.100 0.141 0.000 0.880 294 R CB 1.356 31.730 30.300 0.123 0.000 1.077 294 R HN 0.568 nan 8.270 nan 0.000 0.454 295 K N 2.599 123.003 120.400 0.006 0.000 2.183 295 K HA 0.270 4.587 4.320 -0.004 0.000 0.274 295 K C -0.378 176.261 176.600 0.065 0.000 1.009 295 K CA -0.461 55.864 56.287 0.063 0.000 0.888 295 K CB 1.404 33.723 32.500 -0.302 0.000 1.078 295 K HN 0.811 nan 8.250 nan 0.000 0.459 296 G N 4.279 113.141 108.800 0.103 0.000 2.358 296 G HA2 0.016 3.974 3.960 -0.004 0.000 0.273 296 G HA3 0.016 3.974 3.960 -0.004 0.000 0.273 296 G C -0.084 174.832 174.900 0.026 0.000 1.215 296 G CA -0.552 44.582 45.100 0.057 0.000 0.910 296 G HN 0.829 nan 8.290 nan 0.000 0.467 297 D N 0.000 120.422 120.400 0.036 0.000 6.856 297 D HA 0.000 4.637 4.640 -0.004 0.000 0.175 297 D CA 0.000 54.014 54.000 0.023 0.000 0.868 297 D CB 0.000 40.827 40.800 0.044 0.000 0.688 297 D HN 0.000 nan 8.370 nan 0.000 0.683