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 2de3_1_A DATA FIRST_RESID 20 DATA SEQUENCE DTLTYSNSPV PNALLTASES GFLDAAGIEL DVLSGQQGTV HFTYDQPAYT DATA SEQUENCE RFGGEIPPLL SEGLRAPGRT RLLGITPLLG RQGFFVRDDS PITAAADLAG DATA SEQUENCE RRIGVSASAI RILRGQLGDY LELDPWRQTL VALGSWEARA LLHTLEHGEL DATA SEQUENCE GVDDVELVPI SSPGVDVPAE QLEESATVKG ADLFPDVARG QAAVLASGDV DATA SEQUENCE DALYSWLPWA GELQATGARP VVDLGLDERN AYASVWTVSS GLVRQRPGLV DATA SEQUENCE QRLVDAAVDA GLWARDHSDA VTSLHAANLG VSTGAVGQGF GADFQQRLVP DATA SEQUENCE RLDHDALALL ERTQQFLLTN NLLQEPVALD QWAAPEFLNN SLNR 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.313 176.300 0.021 0.000 2.045 20 D CA 0.000 54.009 54.000 0.016 0.000 0.868 20 D CB 0.000 40.808 40.800 0.013 0.000 0.688 21 T N 1.640 116.213 114.554 0.031 0.000 2.824 21 T HA 0.694 5.044 4.350 -0.000 0.000 0.282 21 T C -0.689 174.050 174.700 0.065 0.000 0.993 21 T CA -0.566 61.561 62.100 0.045 0.000 0.967 21 T CB 0.656 69.551 68.868 0.046 0.000 0.960 21 T HN 0.175 nan 8.240 nan 0.000 0.441 22 L N 2.641 123.916 121.223 0.087 0.000 2.370 22 L HA 0.636 4.976 4.340 -0.000 0.000 0.266 22 L C 0.747 177.739 176.870 0.204 0.000 1.002 22 L CA -1.196 53.721 54.840 0.128 0.000 0.818 22 L CB 2.270 44.394 42.059 0.109 0.000 1.325 22 L HN 0.675 nan 8.230 nan 0.000 0.418 23 T N -1.290 113.425 114.554 0.267 0.000 2.899 23 T HA 0.605 4.955 4.350 -0.000 0.000 0.284 23 T C -0.642 174.376 174.700 0.529 0.000 1.004 23 T CA -0.392 61.923 62.100 0.359 0.000 1.043 23 T CB 1.448 70.501 68.868 0.308 0.000 1.013 23 T HN 0.637 nan 8.240 nan 0.000 0.518 24 Y N -0.844 119.655 120.300 0.331 0.000 2.788 24 Y HA 0.696 5.246 4.550 -0.000 0.000 0.335 24 Y C -1.152 174.962 175.900 0.357 0.000 1.287 24 Y CA -0.764 57.502 58.100 0.277 0.000 1.068 24 Y CB 0.890 39.438 38.460 0.146 0.000 1.340 24 Y HN 1.195 nan 8.280 nan 0.000 0.449 25 S N 1.117 116.783 115.700 -0.056 0.000 2.611 25 S HA 0.594 5.064 4.470 -0.000 0.000 0.270 25 S C -2.344 172.407 174.600 0.252 0.000 1.131 25 S CA -0.732 57.398 58.200 -0.116 0.000 0.826 25 S CB 1.705 65.068 63.200 0.270 0.000 1.095 25 S HN 1.488 nan 8.310 nan 0.000 0.461 26 N N 0.225 119.074 118.700 0.247 0.000 2.331 26 N HA 0.463 5.203 4.740 -0.000 0.000 0.280 26 N C -1.038 174.664 175.510 0.319 0.000 1.155 26 N CA -0.666 52.577 53.050 0.321 0.000 0.822 26 N CB 1.884 40.505 38.487 0.225 0.000 1.619 26 N HN 0.584 nan 8.380 nan 0.000 0.476 27 S N 0.364 116.265 115.700 0.335 0.000 2.655 27 S HA 0.383 4.853 4.470 -0.000 0.000 0.265 27 S C -2.292 172.369 174.600 0.101 0.000 1.240 27 S CA -0.797 57.578 58.200 0.291 0.000 0.986 27 S CB 0.461 63.831 63.200 0.283 0.000 0.985 27 S HN 0.503 nan 8.310 nan 0.000 0.562 28 P HA 0.207 nan 4.420 nan 0.000 0.226 28 P C -0.967 176.212 177.300 -0.202 0.000 1.783 28 P CA -0.006 63.024 63.100 -0.117 0.000 0.980 28 P CB -0.403 31.086 31.700 -0.353 0.000 1.967 29 V N -2.228 117.547 119.914 -0.232 0.000 3.078 29 V HA 0.796 4.916 4.120 -0.000 0.000 0.311 29 V C -2.857 172.749 176.094 -0.814 0.000 1.138 29 V CA -3.259 58.662 62.300 -0.631 0.000 1.007 29 V CB 2.449 34.011 31.823 -0.436 0.000 1.045 29 V HN -0.095 nan 8.190 nan 0.000 0.432 30 P HA 0.281 nan 4.420 nan 0.000 0.276 30 P C -1.115 175.858 177.300 -0.545 0.000 1.243 30 P CA 0.352 62.883 63.100 -0.948 0.000 0.768 30 P CB 0.379 31.385 31.700 -1.157 0.000 0.856 31 N N 1.567 120.093 118.700 -0.291 0.000 2.598 31 N HA 0.243 4.983 4.740 -0.000 0.000 0.263 31 N C -0.089 175.150 175.510 -0.452 0.000 1.254 31 N CA -0.816 51.771 53.050 -0.772 0.000 0.863 31 N CB 1.313 38.996 38.487 -1.340 0.000 1.586 31 N HN 0.187 nan 8.380 nan 0.000 0.491 32 A N 0.691 123.204 122.820 -0.512 0.000 2.119 32 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 32 A C 1.825 179.220 177.584 -0.316 0.000 1.152 32 A CA 0.512 52.383 52.037 -0.277 0.000 0.708 32 A CB -0.405 18.476 19.000 -0.198 0.000 0.805 32 A HN 0.567 nan 8.150 nan 0.000 0.460 33 L N -0.675 120.313 121.223 -0.393 0.000 2.005 33 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 33 L C 2.184 178.929 176.870 -0.207 0.000 1.072 33 L CA 1.939 56.587 54.840 -0.320 0.000 0.744 33 L CB -0.574 41.347 42.059 -0.229 0.000 0.895 33 L HN 0.336 nan 8.230 nan 0.000 0.433 34 L N -0.942 120.176 121.223 -0.175 0.000 2.046 34 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 34 L C 2.290 179.069 176.870 -0.151 0.000 1.077 34 L CA 2.466 57.217 54.840 -0.147 0.000 0.747 34 L CB -1.107 40.834 42.059 -0.196 0.000 0.896 34 L HN 0.354 nan 8.230 nan 0.000 0.432 35 T N 0.017 114.493 114.554 -0.130 0.000 2.684 35 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 35 T C 1.911 176.602 174.700 -0.014 0.000 1.036 35 T CA 1.488 63.583 62.100 -0.009 0.000 1.148 35 T CB -0.645 68.280 68.868 0.095 0.000 0.863 35 T HN 0.533 nan 8.240 nan 0.000 0.436 36 A N 0.878 123.659 122.820 -0.065 0.000 1.933 36 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 36 A C 2.561 180.129 177.584 -0.026 0.000 1.175 36 A CA 2.048 54.072 52.037 -0.022 0.000 0.628 36 A CB -0.936 18.023 19.000 -0.068 0.000 0.814 36 A HN 0.446 nan 8.150 nan 0.000 0.444 37 S N -0.721 114.919 115.700 -0.101 0.000 2.345 37 S HA -0.137 4.333 4.470 -0.000 0.000 0.220 37 S C 1.919 176.458 174.600 -0.102 0.000 1.031 37 S CA 1.424 59.543 58.200 -0.134 0.000 0.996 37 S CB -0.326 62.726 63.200 -0.247 0.000 0.882 37 S HN 0.546 nan 8.310 nan 0.000 0.445 38 E N 1.261 121.413 120.200 -0.081 0.000 2.208 38 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 38 E C 2.183 178.737 176.600 -0.077 0.000 0.988 38 E CA 1.115 57.482 56.400 -0.055 0.000 0.828 38 E CB -0.416 29.270 29.700 -0.022 0.000 0.763 38 E HN 0.725 nan 8.360 nan 0.000 0.478 39 S N -1.112 114.517 115.700 -0.117 0.000 2.593 39 S HA 0.227 4.697 4.470 -0.000 0.000 0.217 39 S C 1.563 175.918 174.600 -0.408 0.000 0.966 39 S CA 0.588 58.616 58.200 -0.287 0.000 0.914 39 S CB 0.398 63.296 63.200 -0.503 0.000 0.776 39 S HN 0.269 nan 8.310 nan 0.000 0.523 40 G N 0.393 109.032 108.800 -0.267 0.000 2.176 40 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 40 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 40 G C 0.369 175.069 174.900 -0.333 0.000 0.979 40 G CA 0.224 45.145 45.100 -0.298 0.000 0.641 40 G HN 0.507 nan 8.290 nan 0.000 0.530 41 F N 0.473 120.272 119.950 -0.253 0.000 2.234 41 F HA 0.198 4.725 4.527 -0.000 0.000 0.299 41 F C 2.753 178.477 175.800 -0.126 0.000 1.087 41 F CA 1.713 59.592 58.000 -0.201 0.000 1.340 41 F CB -0.237 38.635 39.000 -0.214 0.000 1.031 41 F HN 0.262 nan 8.300 nan 0.000 0.500 42 L N -0.621 120.631 121.223 0.048 0.000 2.072 42 L HA -0.186 4.154 4.340 -0.000 0.000 0.205 42 L C 2.095 178.953 176.870 -0.019 0.000 1.079 42 L CA 1.490 56.338 54.840 0.013 0.000 0.752 42 L CB -0.622 41.423 42.059 -0.022 0.000 0.906 42 L HN 0.063 nan 8.230 nan 0.000 0.436 43 D N 0.360 120.727 120.400 -0.055 0.000 2.123 43 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 43 D C 2.123 178.388 176.300 -0.059 0.000 0.992 43 D CA 1.412 55.374 54.000 -0.062 0.000 0.833 43 D CB 0.155 40.903 40.800 -0.088 0.000 0.954 43 D HN 0.252 nan 8.370 nan 0.000 0.455 44 A N -0.117 122.655 122.820 -0.079 0.000 2.067 44 A HA 0.166 4.486 4.320 -0.000 0.000 0.219 44 A C 2.108 179.679 177.584 -0.022 0.000 1.158 44 A CA 1.551 53.546 52.037 -0.069 0.000 0.661 44 A CB -0.511 18.422 19.000 -0.113 0.000 0.801 44 A HN 0.311 nan 8.150 nan 0.000 0.452 45 A N -1.672 121.148 122.820 -0.000 0.000 2.307 45 A HA 0.447 4.767 4.320 -0.000 0.000 0.218 45 A C 1.580 179.169 177.584 0.008 0.000 1.228 45 A CA 0.945 52.992 52.037 0.018 0.000 0.857 45 A CB -0.876 18.148 19.000 0.040 0.000 0.897 45 A HN 1.794 nan 8.150 nan 0.000 0.495 46 G N -0.520 108.277 108.800 -0.004 0.000 2.176 46 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.252 46 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.252 46 G C -0.068 174.831 174.900 -0.001 0.000 1.024 46 G CA 0.537 45.634 45.100 -0.004 0.000 0.755 46 G HN 0.513 nan 8.290 nan 0.000 0.507 47 I N -0.302 120.266 120.570 -0.003 0.000 2.509 47 I HA 0.598 4.768 4.170 -0.000 0.000 0.293 47 I C -0.043 176.066 176.117 -0.014 0.000 1.020 47 I CA -0.832 60.467 61.300 -0.002 0.000 1.088 47 I CB 2.194 40.198 38.000 0.006 0.000 1.267 47 I HN 0.191 nan 8.210 nan 0.000 0.430 48 E N 6.322 126.517 120.200 -0.007 0.000 2.266 48 E HA 0.635 4.985 4.350 -0.000 0.000 0.268 48 E C -1.774 174.825 176.600 -0.003 0.000 0.879 48 E CA -0.656 55.736 56.400 -0.014 0.000 0.762 48 E CB 2.058 31.758 29.700 0.000 0.000 1.199 48 E HN 0.479 nan 8.360 nan 0.000 0.422 49 L N 3.078 124.280 121.223 -0.035 0.000 2.329 49 L HA 0.509 4.849 4.340 -0.000 0.000 0.279 49 L C -0.799 176.169 176.870 0.164 0.000 1.014 49 L CA -1.016 53.824 54.840 0.000 0.000 0.814 49 L CB 1.667 43.504 42.059 -0.371 0.000 1.257 49 L HN 0.459 nan 8.230 nan 0.000 0.424 50 D N 2.338 122.916 120.400 0.296 0.000 2.440 50 D HA 0.215 4.854 4.640 -0.000 0.000 0.239 50 D C -0.366 176.130 176.300 0.327 0.000 1.084 50 D CA -0.204 53.955 54.000 0.266 0.000 0.843 50 D CB 2.733 43.625 40.800 0.153 0.000 1.097 50 D HN 0.084 nan 8.370 nan 0.000 0.531 51 V N 3.315 123.375 119.914 0.244 0.000 2.843 51 V HA 0.081 4.201 4.120 -0.000 0.000 0.305 51 V C 0.288 176.341 176.094 -0.068 0.000 1.065 51 V CA -0.222 62.000 62.300 -0.130 0.000 1.116 51 V CB 0.583 32.286 31.823 -0.199 0.000 0.968 51 V HN 0.412 nan 8.190 nan 0.000 0.487 52 L N 6.703 127.861 121.223 -0.109 0.000 2.499 52 L HA 0.208 4.548 4.340 -0.000 0.000 0.273 52 L C 0.923 177.731 176.870 -0.104 0.000 1.195 52 L CA 0.307 55.100 54.840 -0.079 0.000 0.882 52 L CB 0.889 42.898 42.059 -0.082 0.000 1.133 52 L HN 0.929 nan 8.230 nan 0.000 0.483 53 S N 1.671 117.315 115.700 -0.094 0.000 2.645 53 S HA 0.241 4.711 4.470 -0.000 0.000 0.266 53 S C 1.250 175.765 174.600 -0.142 0.000 1.258 53 S CA -0.289 57.850 58.200 -0.102 0.000 0.990 53 S CB 1.457 64.607 63.200 -0.082 0.000 0.967 53 S HN 0.752 nan 8.310 nan 0.000 0.556 54 G N -0.032 108.678 108.800 -0.149 0.000 2.432 54 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 54 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 54 G C 1.258 176.032 174.900 -0.210 0.000 1.135 54 G CA 0.480 45.465 45.100 -0.192 0.000 0.767 54 G HN 0.798 nan 8.290 nan 0.000 0.550 55 Q N -0.456 119.245 119.800 -0.164 0.000 2.369 55 Q HA 0.013 4.353 4.340 -0.000 0.000 0.206 55 Q C 1.820 177.720 176.000 -0.166 0.000 0.963 55 Q CA 0.733 56.442 55.803 -0.157 0.000 0.894 55 Q CB 0.124 28.794 28.738 -0.114 0.000 0.965 55 Q HN 0.541 nan 8.270 nan 0.000 0.475 56 Q N -1.071 118.630 119.800 -0.166 0.000 2.159 56 Q HA 0.140 4.480 4.340 -0.000 0.000 0.217 56 Q C 1.432 177.309 176.000 -0.205 0.000 0.818 56 Q CA 0.013 55.716 55.803 -0.167 0.000 1.008 56 Q CB 0.998 29.657 28.738 -0.132 0.000 1.148 56 Q HN 0.360 nan 8.270 nan 0.000 0.491 57 G N 1.396 110.047 108.800 -0.249 0.000 2.462 57 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.220 57 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.220 57 G C 1.599 176.333 174.900 -0.276 0.000 1.121 57 G CA 1.638 46.571 45.100 -0.279 0.000 0.758 57 G HN 0.457 nan 8.290 nan 0.000 0.559 58 T N -0.929 113.425 114.554 -0.334 0.000 2.977 58 T HA -0.063 4.287 4.350 -0.000 0.000 0.271 58 T C 2.156 176.856 174.700 -0.000 0.000 1.105 58 T CA 1.077 63.083 62.100 -0.157 0.000 1.116 58 T CB -0.235 68.552 68.868 -0.136 0.000 0.878 58 T HN 0.038 nan 8.240 nan 0.000 0.509 59 V N 1.376 121.202 119.914 -0.146 0.000 2.720 59 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 59 V C 2.447 178.341 176.094 -0.334 0.000 1.082 59 V CA 1.874 63.992 62.300 -0.303 0.000 1.101 59 V CB -1.054 30.457 31.823 -0.521 0.000 0.693 59 V HN 0.665 nan 8.190 nan 0.000 0.479 60 H N -0.761 118.218 119.070 -0.152 0.000 2.489 60 H HA -0.121 4.435 4.556 -0.000 0.000 0.293 60 H C 1.667 177.128 175.328 0.221 0.000 1.066 60 H CA 1.666 57.770 56.048 0.093 0.000 1.305 60 H CB 0.089 29.953 29.762 0.171 0.000 1.386 60 H HN 0.387 nan 8.280 nan 0.000 0.551 61 F N -1.638 118.292 119.950 -0.033 0.000 2.712 61 F HA 0.140 4.667 4.527 -0.000 0.000 0.297 61 F C 2.347 178.105 175.800 -0.072 0.000 1.114 61 F CA 1.072 59.062 58.000 -0.015 0.000 1.305 61 F CB -0.342 38.741 39.000 0.139 0.000 1.086 61 F HN 0.309 nan 8.300 nan 0.000 0.599 62 T N -4.726 109.826 114.554 -0.003 0.000 2.990 62 T HA 0.022 4.372 4.350 -0.000 0.000 0.249 62 T C 0.644 175.423 174.700 0.132 0.000 1.039 62 T CA 0.387 62.547 62.100 0.101 0.000 1.036 62 T CB -0.499 68.430 68.868 0.101 0.000 0.994 62 T HN 0.156 nan 8.240 nan 0.000 0.489 63 Y N 0.756 121.161 120.300 0.175 0.000 4.604 63 Y HA -0.169 4.381 4.550 -0.000 0.000 0.230 63 Y C 0.347 176.325 175.900 0.130 0.000 1.066 63 Y CA 0.286 58.519 58.100 0.221 0.000 1.990 63 Y CB -2.666 35.961 38.460 0.277 0.000 1.619 63 Y HN 0.401 nan 8.280 nan 0.000 0.649 64 D N 1.812 122.253 120.400 0.068 0.000 2.688 64 D HA 0.258 4.898 4.640 -0.000 0.000 0.228 64 D C -0.008 176.301 176.300 0.014 0.000 1.116 64 D CA 0.545 54.580 54.000 0.059 0.000 1.023 64 D CB -0.085 40.736 40.800 0.036 0.000 1.100 64 D HN 0.450 nan 8.370 nan 0.000 0.487 65 Q N 0.893 120.731 119.800 0.064 0.000 2.391 65 Q HA 0.242 4.582 4.340 -0.000 0.000 0.279 65 Q C -1.920 174.159 176.000 0.131 0.000 1.028 65 Q CA -1.554 54.287 55.803 0.063 0.000 0.836 65 Q CB 2.576 31.322 28.738 0.013 0.000 1.414 65 Q HN 0.082 nan 8.270 nan 0.000 0.397 66 P HA -0.039 nan 4.420 nan 0.000 0.222 66 P C 0.030 177.396 177.300 0.111 0.000 1.153 66 P CA 0.824 63.982 63.100 0.097 0.000 0.798 66 P CB 0.458 32.199 31.700 0.067 0.000 0.796 67 A N -0.997 121.907 122.820 0.139 0.000 3.355 67 A HA 0.381 4.700 4.320 -0.000 0.000 0.290 67 A C -1.196 176.518 177.584 0.216 0.000 0.973 67 A CA -0.464 51.652 52.037 0.133 0.000 0.933 67 A CB -0.424 18.632 19.000 0.094 0.000 1.138 67 A HN 0.101 nan 8.150 nan 0.000 0.490 68 Y N 0.393 120.755 120.300 0.104 0.000 2.377 68 Y HA 0.726 5.276 4.550 -0.000 0.000 0.339 68 Y C -0.127 175.880 175.900 0.179 0.000 1.011 68 Y CA -0.505 57.686 58.100 0.151 0.000 1.093 68 Y CB 1.861 40.414 38.460 0.154 0.000 1.201 68 Y HN 0.245 nan 8.280 nan 0.000 0.455 69 T N 7.170 121.485 114.554 -0.399 0.000 2.886 69 T HA 0.564 4.914 4.350 -0.000 0.000 0.292 69 T C -1.653 172.850 174.700 -0.328 0.000 1.012 69 T CA -0.762 61.173 62.100 -0.276 0.000 0.982 69 T CB 0.700 69.605 68.868 0.062 0.000 1.018 69 T HN 0.878 nan 8.240 nan 0.000 0.451 70 R N 3.937 124.378 120.500 -0.099 0.000 2.673 70 R HA 0.627 4.967 4.340 -0.000 0.000 0.281 70 R C -1.952 174.571 176.300 0.371 0.000 0.991 70 R CA -0.784 55.403 56.100 0.144 0.000 0.896 70 R CB 1.545 31.952 30.300 0.179 0.000 1.201 70 R HN 0.662 nan 8.270 nan 0.000 0.457 71 F N 3.789 123.872 119.950 0.221 0.000 2.577 71 F HA 0.607 5.134 4.527 -0.000 0.000 0.344 71 F C -0.242 175.639 175.800 0.134 0.000 1.145 71 F CA -0.243 57.836 58.000 0.131 0.000 0.996 71 F CB 1.815 40.740 39.000 -0.125 0.000 1.248 71 F HN 0.790 nan 8.300 nan 0.000 0.447 72 G N 2.576 111.678 108.800 0.504 0.000 2.578 72 G HA2 0.403 4.363 3.960 -0.000 0.000 0.302 72 G HA3 0.403 4.363 3.960 -0.000 0.000 0.302 72 G C -0.648 174.432 174.900 0.300 0.000 1.243 72 G CA -0.251 45.057 45.100 0.347 0.000 0.843 72 G HN 0.774 nan 8.290 nan 0.000 0.486 73 G N -0.101 108.867 108.800 0.280 0.000 2.484 73 G HA2 0.381 4.341 3.960 -0.000 0.000 0.235 73 G HA3 0.381 4.341 3.960 -0.000 0.000 0.235 73 G C 0.917 175.987 174.900 0.283 0.000 1.282 73 G CA 0.816 46.092 45.100 0.292 0.000 0.857 73 G HN 0.736 nan 8.290 nan 0.000 0.571 74 E N 2.212 122.580 120.200 0.280 0.000 2.371 74 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 74 E C 1.982 178.701 176.600 0.199 0.000 1.012 74 E CA 0.243 56.800 56.400 0.262 0.000 0.860 74 E CB -0.047 29.822 29.700 0.281 0.000 0.811 74 E HN 0.679 nan 8.360 nan 0.000 0.502 75 I N 1.593 122.255 120.570 0.154 0.000 2.179 75 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 75 I C -0.472 175.623 176.117 -0.037 0.000 1.088 75 I CA 1.095 62.415 61.300 0.033 0.000 1.357 75 I CB -1.404 36.551 38.000 -0.076 0.000 1.051 75 I HN 0.098 nan 8.210 nan 0.000 0.409 76 P HA -0.122 nan 4.420 nan 0.000 0.215 76 P C -1.303 176.064 177.300 0.112 0.000 1.157 76 P CA 1.875 64.902 63.100 -0.122 0.000 0.868 76 P CB -1.167 30.411 31.700 -0.204 0.000 0.788 77 P HA -0.087 nan 4.420 nan 0.000 0.219 77 P C 1.620 178.822 177.300 -0.162 0.000 1.150 77 P CA 1.248 64.318 63.100 -0.050 0.000 0.814 77 P CB -0.353 31.364 31.700 0.028 0.000 0.787 78 L N -1.378 119.796 121.223 -0.082 0.000 2.093 78 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 78 L C 2.574 179.351 176.870 -0.154 0.000 1.085 78 L CA 0.928 55.661 54.840 -0.178 0.000 0.755 78 L CB -0.875 41.164 42.059 -0.033 0.000 0.904 78 L HN -0.068 nan 8.230 nan 0.000 0.435 79 L N -1.025 120.152 121.223 -0.078 0.000 2.056 79 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 79 L C 2.775 179.614 176.870 -0.052 0.000 1.078 79 L CA 1.509 56.317 54.840 -0.052 0.000 0.749 79 L CB -0.762 41.273 42.059 -0.040 0.000 0.901 79 L HN 0.130 nan 8.230 nan 0.000 0.433 80 S N -1.026 114.662 115.700 -0.019 0.000 2.356 80 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 80 S C 1.947 176.497 174.600 -0.083 0.000 1.032 80 S CA 1.202 59.419 58.200 0.028 0.000 1.005 80 S CB -0.073 63.252 63.200 0.208 0.000 0.867 80 S HN 0.409 nan 8.310 nan 0.000 0.449 81 E N 0.065 120.123 120.200 -0.236 0.000 2.107 81 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 81 E C 2.053 178.498 176.600 -0.260 0.000 0.982 81 E CA 1.040 57.235 56.400 -0.341 0.000 0.809 81 E CB -0.662 28.590 29.700 -0.747 0.000 0.756 81 E HN 0.602 nan 8.360 nan 0.000 0.459 82 G N -0.134 108.532 108.800 -0.223 0.000 2.887 82 G HA2 0.046 4.006 3.960 -0.000 0.000 0.211 82 G HA3 0.046 4.006 3.960 -0.000 0.000 0.211 82 G C 1.348 176.196 174.900 -0.085 0.000 1.152 82 G CA 0.041 45.052 45.100 -0.149 0.000 0.769 82 G HN 0.159 nan 8.290 nan 0.000 0.541 83 L N -1.465 119.715 121.223 -0.071 0.000 2.758 83 L HA 0.504 4.844 4.340 -0.000 0.000 0.234 83 L C 2.307 179.152 176.870 -0.041 0.000 1.049 83 L CA 0.628 55.441 54.840 -0.046 0.000 0.908 83 L CB 0.148 42.186 42.059 -0.034 0.000 1.362 83 L HN -0.023 nan 8.230 nan 0.000 0.499 84 R N -0.352 120.128 120.500 -0.034 0.000 2.140 84 R HA 0.556 4.896 4.340 -0.000 0.000 0.200 84 R C 0.267 176.566 176.300 -0.002 0.000 1.069 84 R CA 0.659 56.751 56.100 -0.013 0.000 1.088 84 R CB 0.296 30.602 30.300 0.009 0.000 1.012 84 R HN 0.187 nan 8.270 nan 0.000 0.500 85 A N 2.103 124.923 122.820 0.001 0.000 3.127 85 A HA 0.399 4.718 4.320 -0.000 0.000 0.319 85 A C -2.635 174.940 177.584 -0.015 0.000 1.104 85 A CA -1.343 50.700 52.037 0.011 0.000 0.802 85 A CB 0.516 19.547 19.000 0.052 0.000 1.193 85 A HN -0.088 nan 8.150 nan 0.000 0.479 86 P HA 0.342 nan 4.420 nan 0.000 0.263 86 P C 1.171 178.452 177.300 -0.032 0.000 1.195 86 P CA 2.053 65.112 63.100 -0.068 0.000 0.762 86 P CB 0.877 32.540 31.700 -0.062 0.000 0.799 87 G N 3.311 112.090 108.800 -0.034 0.000 2.201 87 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.212 87 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.212 87 G C 1.267 176.200 174.900 0.055 0.000 0.994 87 G CA -0.240 44.871 45.100 0.019 0.000 0.644 87 G HN 0.470 nan 8.290 nan 0.000 0.508 88 R N 0.633 121.171 120.500 0.063 0.000 2.115 88 R HA 0.119 4.459 4.340 -0.000 0.000 0.230 88 R C 1.537 177.921 176.300 0.141 0.000 1.111 88 R CA 1.714 57.883 56.100 0.114 0.000 0.976 88 R CB -0.128 30.270 30.300 0.163 0.000 0.870 88 R HN 0.644 nan 8.270 nan 0.000 0.445 89 T N -1.846 112.797 114.554 0.148 0.000 2.887 89 T HA 0.564 4.914 4.350 -0.000 0.000 0.292 89 T C -0.593 174.285 174.700 0.297 0.000 1.087 89 T CA -1.148 61.067 62.100 0.193 0.000 1.009 89 T CB 2.672 71.646 68.868 0.176 0.000 1.203 89 T HN -0.191 nan 8.240 nan 0.000 0.518 90 R N 0.425 120.985 120.500 0.100 0.000 2.750 90 R HA 0.595 4.935 4.340 -0.000 0.000 0.281 90 R C -1.300 174.729 176.300 -0.453 0.000 0.972 90 R CA -1.082 54.982 56.100 -0.060 0.000 0.912 90 R CB 1.715 31.977 30.300 -0.062 0.000 1.187 90 R HN 0.714 nan 8.270 nan 0.000 0.464 91 L N 3.242 123.964 121.223 -0.835 0.000 2.257 91 L HA 0.309 4.649 4.340 -0.000 0.000 0.290 91 L C 0.463 177.005 176.870 -0.545 0.000 1.044 91 L CA 0.274 54.544 54.840 -0.950 0.000 0.810 91 L CB 0.605 41.833 42.059 -1.385 0.000 1.193 91 L HN 0.680 nan 8.230 nan 0.000 0.425 92 L N 4.598 125.494 121.223 -0.545 0.000 2.298 92 L HA 0.482 4.822 4.340 -0.000 0.000 0.209 92 L C 1.015 177.750 176.870 -0.226 0.000 1.084 92 L CA 0.482 55.045 54.840 -0.462 0.000 0.816 92 L CB -0.254 41.243 42.059 -0.936 0.000 0.967 92 L HN 0.807 nan 8.230 nan 0.000 0.460 93 G N -0.319 108.372 108.800 -0.181 0.000 2.451 93 G HA2 0.566 4.526 3.960 -0.000 0.000 0.292 93 G HA3 0.566 4.526 3.960 -0.000 0.000 0.292 93 G C -1.825 173.042 174.900 -0.055 0.000 1.427 93 G CA -0.510 44.575 45.100 -0.024 0.000 0.792 93 G HN -0.122 nan 8.290 nan 0.000 0.498 94 I N -0.055 120.551 120.570 0.061 0.000 2.686 94 I HA 0.578 4.748 4.170 -0.000 0.000 0.295 94 I C -0.679 175.569 176.117 0.219 0.000 1.114 94 I CA -0.746 60.627 61.300 0.121 0.000 1.038 94 I CB 2.984 41.024 38.000 0.067 0.000 1.238 94 I HN 0.373 nan 8.210 nan 0.000 0.420 95 T N 5.262 119.985 114.554 0.281 0.000 2.965 95 T HA 0.362 4.712 4.350 -0.000 0.000 0.306 95 T C -2.609 172.143 174.700 0.088 0.000 0.991 95 T CA -1.156 61.041 62.100 0.161 0.000 1.001 95 T CB 1.725 70.642 68.868 0.081 0.000 0.984 95 T HN 0.179 nan 8.240 nan 0.000 0.446 96 P HA 0.263 nan 4.420 nan 0.000 0.268 96 P C -1.031 176.273 177.300 0.006 0.000 1.208 96 P CA -0.620 62.510 63.100 0.050 0.000 0.777 96 P CB 0.511 32.233 31.700 0.037 0.000 0.875 97 L N 4.377 125.624 121.223 0.039 0.000 2.381 97 L HA 0.770 5.110 4.340 -0.000 0.000 0.274 97 L C -1.741 175.179 176.870 0.083 0.000 0.988 97 L CA -0.586 54.253 54.840 -0.001 0.000 0.824 97 L CB 1.448 43.497 42.059 -0.016 0.000 1.263 97 L HN 0.167 nan 8.230 nan 0.000 0.410 98 L N 4.861 126.119 121.223 0.059 0.000 2.641 98 L HA 0.928 5.268 4.340 -0.000 0.000 0.261 98 L C -0.605 176.319 176.870 0.089 0.000 0.926 98 L CA 0.712 55.612 54.840 0.099 0.000 0.917 98 L CB 1.712 43.815 42.059 0.074 0.000 1.361 98 L HN 0.816 nan 8.230 nan 0.000 0.417 99 G N 2.439 111.305 108.800 0.109 0.000 2.578 99 G HA2 0.396 4.356 3.960 -0.000 0.000 0.302 99 G HA3 0.396 4.356 3.960 -0.000 0.000 0.302 99 G C -1.551 173.401 174.900 0.088 0.000 1.243 99 G CA -1.100 44.046 45.100 0.077 0.000 0.843 99 G HN 0.597 nan 8.290 nan 0.000 0.486 100 R N 0.873 121.407 120.500 0.057 0.000 2.486 100 R HA 0.361 4.701 4.340 -0.000 0.000 0.303 100 R C -0.060 176.333 176.300 0.155 0.000 0.958 100 R CA 0.671 56.829 56.100 0.097 0.000 1.077 100 R CB -0.319 30.037 30.300 0.093 0.000 0.921 100 R HN 0.661 nan 8.270 nan 0.000 0.406 101 Q N 2.331 122.235 119.800 0.174 0.000 2.386 101 Q HA 0.546 4.886 4.340 -0.000 0.000 0.274 101 Q C -1.294 174.790 176.000 0.140 0.000 1.011 101 Q CA -0.186 55.730 55.803 0.189 0.000 0.867 101 Q CB 1.830 30.721 28.738 0.255 0.000 1.409 101 Q HN 0.871 nan 8.270 nan 0.000 0.395 102 G N 1.220 110.078 108.800 0.096 0.000 2.359 102 G HA2 0.200 4.160 3.960 -0.000 0.000 0.293 102 G HA3 0.200 4.160 3.960 -0.000 0.000 0.293 102 G C -2.070 172.879 174.900 0.081 0.000 1.300 102 G CA -0.963 44.212 45.100 0.125 0.000 0.888 102 G HN 0.333 nan 8.290 nan 0.000 0.541 103 F N 0.843 120.882 119.950 0.148 0.000 2.390 103 F HA 0.621 5.148 4.527 -0.000 0.000 0.361 103 F C 0.396 176.246 175.800 0.082 0.000 1.124 103 F CA -0.185 57.931 58.000 0.195 0.000 1.149 103 F CB 0.729 39.822 39.000 0.154 0.000 1.160 103 F HN 0.262 nan 8.300 nan 0.000 0.501 104 F N 3.232 123.234 119.950 0.087 0.000 2.375 104 F HA 0.582 5.109 4.527 -0.000 0.000 0.333 104 F C 0.283 176.138 175.800 0.091 0.000 1.104 104 F CA -0.637 57.402 58.000 0.064 0.000 1.149 104 F CB 1.227 40.230 39.000 0.005 0.000 1.190 104 F HN 0.213 nan 8.300 nan 0.000 0.533 105 V N 0.177 120.223 119.914 0.220 0.000 3.102 105 V HA 0.625 4.745 4.120 -0.000 0.000 0.312 105 V C -0.429 175.749 176.094 0.140 0.000 1.135 105 V CA -1.556 60.836 62.300 0.153 0.000 1.022 105 V CB 1.794 33.674 31.823 0.095 0.000 1.056 105 V HN 0.697 nan 8.190 nan 0.000 0.436 106 R N 1.012 121.574 120.500 0.102 0.000 2.643 106 R HA 0.191 4.531 4.340 -0.000 0.000 0.270 106 R C 0.592 176.931 176.300 0.066 0.000 1.061 106 R CA -0.116 56.033 56.100 0.082 0.000 1.107 106 R CB 0.341 30.677 30.300 0.060 0.000 0.999 106 R HN 0.830 nan 8.270 nan 0.000 0.460 107 D N 1.707 122.143 120.400 0.060 0.000 2.149 107 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 107 D C 0.925 177.244 176.300 0.032 0.000 0.990 107 D CA 1.620 55.645 54.000 0.043 0.000 0.839 107 D CB -0.096 40.727 40.800 0.039 0.000 0.948 107 D HN 0.603 nan 8.370 nan 0.000 0.460 108 D N -0.430 119.989 120.400 0.032 0.000 2.336 108 D HA -0.024 4.616 4.640 -0.000 0.000 0.229 108 D C 0.459 176.774 176.300 0.026 0.000 1.061 108 D CA -0.100 53.915 54.000 0.025 0.000 0.875 108 D CB -0.210 40.604 40.800 0.023 0.000 0.904 108 D HN -0.154 nan 8.370 nan 0.000 0.525 109 S N 1.098 116.817 115.700 0.031 0.000 2.564 109 S HA 0.189 4.659 4.470 -0.000 0.000 0.278 109 S C -1.240 173.374 174.600 0.023 0.000 1.333 109 S CA -1.166 57.053 58.200 0.031 0.000 1.048 109 S CB 1.000 64.224 63.200 0.041 0.000 0.900 109 S HN -0.000 nan 8.310 nan 0.000 0.505 110 P HA 0.106 nan 4.420 nan 0.000 0.237 110 P C -0.009 177.299 177.300 0.014 0.000 1.178 110 P CA 0.404 63.513 63.100 0.015 0.000 0.766 110 P CB -0.106 31.603 31.700 0.014 0.000 0.876 111 I N 1.476 122.056 120.570 0.018 0.000 2.436 111 I HA 0.035 4.205 4.170 -0.000 0.000 0.289 111 I C 1.469 177.591 176.117 0.009 0.000 1.083 111 I CA 0.315 61.624 61.300 0.016 0.000 1.372 111 I CB 0.791 38.806 38.000 0.025 0.000 1.408 111 I HN -0.041 nan 8.210 nan 0.000 0.516 112 T N 1.479 116.034 114.554 0.001 0.000 2.986 112 T HA 0.498 4.848 4.350 -0.000 0.000 0.264 112 T C 0.274 174.964 174.700 -0.016 0.000 0.964 112 T CA -0.128 61.967 62.100 -0.008 0.000 0.895 112 T CB 0.567 69.431 68.868 -0.007 0.000 1.163 112 T HN 0.525 nan 8.240 nan 0.000 0.517 113 A N 0.305 123.119 122.820 -0.010 0.000 2.469 113 A HA 0.935 5.255 4.320 -0.000 0.000 0.299 113 A C 1.409 178.992 177.584 -0.002 0.000 1.098 113 A CA -0.319 51.711 52.037 -0.012 0.000 0.737 113 A CB 0.931 19.928 19.000 -0.006 0.000 1.312 113 A HN 0.412 nan 8.150 nan 0.000 0.414 114 A N 0.646 123.468 122.820 0.003 0.000 1.948 114 A HA 0.116 4.436 4.320 -0.000 0.000 0.220 114 A C 2.221 179.816 177.584 0.019 0.000 1.177 114 A CA 2.688 54.739 52.037 0.023 0.000 0.636 114 A CB -0.990 18.051 19.000 0.068 0.000 0.815 114 A HN 1.970 nan 8.150 nan 0.000 0.449 115 A N -0.185 122.647 122.820 0.020 0.000 2.070 115 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 115 A C 1.511 179.098 177.584 0.007 0.000 1.159 115 A CA 1.635 53.680 52.037 0.013 0.000 0.656 115 A CB -0.476 18.533 19.000 0.014 0.000 0.800 115 A HN 0.486 nan 8.150 nan 0.000 0.453 116 D N -0.147 120.256 120.400 0.006 0.000 2.371 116 D HA -0.020 4.620 4.640 -0.000 0.000 0.221 116 D C 1.438 177.741 176.300 0.004 0.000 0.986 116 D CA 0.525 54.529 54.000 0.006 0.000 0.899 116 D CB -0.093 40.712 40.800 0.007 0.000 0.902 116 D HN 0.486 nan 8.370 nan 0.000 0.530 117 L N 0.523 121.745 121.223 -0.001 0.000 2.554 117 L HA 0.109 4.449 4.340 -0.000 0.000 0.226 117 L C 1.073 177.935 176.870 -0.015 0.000 1.137 117 L CA -0.283 54.550 54.840 -0.010 0.000 0.863 117 L CB -0.188 41.853 42.059 -0.030 0.000 0.985 117 L HN -0.135 nan 8.230 nan 0.000 0.451 118 A N 0.436 123.251 122.820 -0.009 0.000 2.545 118 A HA 0.336 4.656 4.320 -0.000 0.000 0.253 118 A C 1.515 179.096 177.584 -0.006 0.000 1.074 118 A CA 0.706 52.738 52.037 -0.009 0.000 0.760 118 A CB -0.408 18.590 19.000 -0.004 0.000 1.005 118 A HN 0.586 nan 8.150 nan 0.000 0.506 119 G N 2.087 110.882 108.800 -0.009 0.000 2.189 119 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.267 119 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.267 119 G C 0.507 175.406 174.900 -0.000 0.000 0.975 119 G CA 0.635 45.732 45.100 -0.004 0.000 0.644 119 G HN 0.829 nan 8.290 nan 0.000 0.537 120 R N -0.120 120.379 120.500 -0.002 0.000 2.583 120 R HA 0.539 4.879 4.340 -0.000 0.000 0.268 120 R C 0.693 176.998 176.300 0.009 0.000 1.101 120 R CA -0.777 55.327 56.100 0.007 0.000 1.180 120 R CB 0.192 30.499 30.300 0.011 0.000 1.128 120 R HN 0.369 nan 8.270 nan 0.000 0.568 121 R N 1.251 121.765 120.500 0.024 0.000 2.205 121 R HA 0.326 4.666 4.340 -0.000 0.000 0.342 121 R C -0.204 176.127 176.300 0.053 0.000 1.058 121 R CA -0.295 55.825 56.100 0.033 0.000 0.904 121 R CB 0.435 30.758 30.300 0.038 0.000 1.089 121 R HN 0.276 nan 8.270 nan 0.000 0.471 122 I N 2.748 123.344 120.570 0.044 0.000 2.304 122 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 122 I C 1.015 177.211 176.117 0.131 0.000 1.018 122 I CA -0.528 60.820 61.300 0.080 0.000 1.260 122 I CB 1.018 39.004 38.000 -0.023 0.000 1.390 122 I HN 0.634 nan 8.210 nan 0.000 0.475 123 G N 6.520 115.432 108.800 0.187 0.000 2.358 123 G HA2 0.514 4.474 3.960 -0.000 0.000 0.273 123 G HA3 0.514 4.474 3.960 -0.000 0.000 0.273 123 G C -0.182 174.850 174.900 0.220 0.000 1.215 123 G CA -0.154 45.046 45.100 0.167 0.000 0.910 123 G HN 0.549 nan 8.290 nan 0.000 0.467 124 V N 0.019 120.031 119.914 0.162 0.000 3.114 124 V HA 0.812 4.932 4.120 -0.000 0.000 0.308 124 V C 0.292 176.448 176.094 0.103 0.000 1.168 124 V CA -0.811 61.586 62.300 0.161 0.000 1.015 124 V CB 1.233 33.150 31.823 0.158 0.000 1.050 124 V HN 1.036 nan 8.190 nan 0.000 0.433 125 S N 1.715 117.470 115.700 0.091 0.000 2.584 125 S HA 0.525 4.995 4.470 -0.000 0.000 0.270 125 S C 1.423 176.051 174.600 0.048 0.000 1.346 125 S CA 0.164 58.405 58.200 0.069 0.000 1.018 125 S CB 1.213 64.452 63.200 0.065 0.000 0.899 125 S HN 2.041 nan 8.310 nan 0.000 0.542 126 A N 2.094 124.940 122.820 0.044 0.000 1.972 126 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 126 A C 2.365 179.959 177.584 0.017 0.000 1.169 126 A CA 1.813 53.870 52.037 0.033 0.000 0.635 126 A CB -1.466 17.557 19.000 0.038 0.000 0.810 126 A HN 0.837 nan 8.150 nan 0.000 0.446 127 S N -0.095 115.611 115.700 0.010 0.000 2.356 127 S HA -0.057 4.413 4.470 -0.000 0.000 0.223 127 S C 2.339 176.916 174.600 -0.038 0.000 1.032 127 S CA 1.230 59.418 58.200 -0.020 0.000 1.005 127 S CB -0.503 62.671 63.200 -0.043 0.000 0.867 127 S HN 0.816 nan 8.310 nan 0.000 0.449 128 A N 1.290 124.095 122.820 -0.026 0.000 1.933 128 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 128 A C 2.056 179.635 177.584 -0.009 0.000 1.175 128 A CA 1.119 53.143 52.037 -0.022 0.000 0.628 128 A CB -0.717 18.286 19.000 0.004 0.000 0.814 128 A HN 0.493 nan 8.150 nan 0.000 0.444 129 I N -0.943 119.628 120.570 0.003 0.000 2.286 129 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 129 I C 2.770 178.878 176.117 -0.015 0.000 1.115 129 I CA 1.209 62.510 61.300 0.002 0.000 1.392 129 I CB -0.336 37.671 38.000 0.013 0.000 1.065 129 I HN 0.319 nan 8.210 nan 0.000 0.418 130 R N 0.672 121.157 120.500 -0.024 0.000 2.073 130 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 130 R C 2.311 178.571 176.300 -0.067 0.000 1.134 130 R CA 1.489 57.565 56.100 -0.041 0.000 0.952 130 R CB -0.388 29.884 30.300 -0.047 0.000 0.850 130 R HN 0.363 nan 8.270 nan 0.000 0.433 131 I N 0.850 121.375 120.570 -0.075 0.000 2.202 131 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 131 I C 2.254 178.334 176.117 -0.062 0.000 1.091 131 I CA 1.258 62.506 61.300 -0.087 0.000 1.368 131 I CB -0.278 37.687 38.000 -0.058 0.000 1.058 131 I HN 0.126 nan 8.210 nan 0.000 0.410 132 L N 0.203 121.407 121.223 -0.032 0.000 2.131 132 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 132 L C 2.533 179.383 176.870 -0.033 0.000 1.092 132 L CA 1.280 56.105 54.840 -0.024 0.000 0.759 132 L CB -0.438 41.614 42.059 -0.012 0.000 0.903 132 L HN 0.168 nan 8.230 nan 0.000 0.435 133 R N -0.283 120.196 120.500 -0.035 0.000 2.276 133 R HA 0.095 4.435 4.340 -0.000 0.000 0.196 133 R C 1.231 177.504 176.300 -0.044 0.000 0.961 133 R CA 0.584 56.665 56.100 -0.033 0.000 1.024 133 R CB 0.084 30.369 30.300 -0.025 0.000 0.940 133 R HN 0.403 nan 8.270 nan 0.000 0.480 134 G N 1.675 110.438 108.800 -0.061 0.000 2.198 134 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 134 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 134 G C -0.250 174.612 174.900 -0.064 0.000 1.042 134 G CA 0.068 45.124 45.100 -0.075 0.000 0.791 134 G HN 0.381 nan 8.290 nan 0.000 0.502 135 Q N -0.690 119.076 119.800 -0.057 0.000 2.771 135 Q HA 0.484 4.824 4.340 -0.000 0.000 0.247 135 Q C 1.372 177.347 176.000 -0.042 0.000 0.986 135 Q CA -0.651 55.128 55.803 -0.040 0.000 0.713 135 Q CB 0.877 29.600 28.738 -0.024 0.000 1.241 135 Q HN 0.361 nan 8.270 nan 0.000 0.488 136 L N 0.642 121.833 121.223 -0.053 0.000 2.478 136 L HA 0.054 4.394 4.340 -0.000 0.000 0.223 136 L C 1.304 178.194 176.870 0.034 0.000 1.140 136 L CA 0.734 55.544 54.840 -0.049 0.000 0.842 136 L CB -0.659 41.328 42.059 -0.121 0.000 0.953 136 L HN 0.901 nan 8.230 nan 0.000 0.452 137 G N 2.209 111.027 108.800 0.029 0.000 2.622 137 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.307 137 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.307 137 G C 0.392 175.334 174.900 0.071 0.000 1.226 137 G CA 0.602 45.728 45.100 0.044 0.000 0.997 137 G HN 0.560 nan 8.290 nan 0.000 0.551 138 D N 0.059 120.502 120.400 0.072 0.000 2.324 138 D HA 0.119 4.759 4.640 -0.000 0.000 0.235 138 D C 1.466 177.817 176.300 0.084 0.000 1.095 138 D CA 0.902 54.940 54.000 0.064 0.000 0.871 138 D CB -0.337 40.488 40.800 0.041 0.000 0.906 138 D HN 0.595 nan 8.370 nan 0.000 0.522 139 Y N 1.579 121.874 120.300 -0.007 0.000 2.029 139 Y HA -0.320 4.230 4.550 -0.000 0.000 0.269 139 Y C 1.699 177.594 175.900 -0.009 0.000 1.201 139 Y CA 1.941 60.033 58.100 -0.012 0.000 1.115 139 Y CB -0.440 38.006 38.460 -0.025 0.000 0.945 139 Y HN 0.088 nan 8.280 nan 0.000 0.497 140 L N -0.112 121.054 121.223 -0.095 0.000 2.362 140 L HA -0.148 4.192 4.340 -0.000 0.000 0.219 140 L C 1.823 178.610 176.870 -0.140 0.000 1.134 140 L CA 1.331 56.060 54.840 -0.184 0.000 0.807 140 L CB -0.421 41.620 42.059 -0.030 0.000 0.927 140 L HN 0.351 nan 8.230 nan 0.000 0.447 141 E N -0.385 119.764 120.200 -0.084 0.000 2.472 141 E HA 0.135 4.485 4.350 -0.000 0.000 0.196 141 E C 0.441 177.010 176.600 -0.052 0.000 1.033 141 E CA -0.233 56.137 56.400 -0.051 0.000 0.886 141 E CB 0.390 30.080 29.700 -0.016 0.000 0.944 141 E HN 0.394 nan 8.360 nan 0.000 0.492 142 L N 2.800 123.973 121.223 -0.084 0.000 2.464 142 L HA 0.051 4.391 4.340 -0.000 0.000 0.264 142 L C 0.816 177.662 176.870 -0.039 0.000 1.199 142 L CA -0.484 54.326 54.840 -0.049 0.000 0.818 142 L CB 0.272 42.300 42.059 -0.051 0.000 1.102 142 L HN 0.151 nan 8.230 nan 0.000 0.473 143 D N 1.046 121.458 120.400 0.019 0.000 2.360 143 D HA 0.064 4.704 4.640 -0.000 0.000 0.242 143 D C -2.128 174.219 176.300 0.078 0.000 1.184 143 D CA -1.477 52.554 54.000 0.052 0.000 0.930 143 D CB 0.643 41.495 40.800 0.087 0.000 1.161 143 D HN 0.203 nan 8.370 nan 0.000 0.447 144 P HA -0.179 nan 4.420 nan 0.000 0.216 144 P C 1.370 178.829 177.300 0.265 0.000 1.157 144 P CA 1.280 64.471 63.100 0.152 0.000 0.880 144 P CB -0.052 31.757 31.700 0.182 0.000 0.791 145 W N 0.600 122.000 121.300 0.167 0.000 2.354 145 W HA -0.158 4.502 4.660 -0.000 0.000 0.315 145 W C 2.055 178.722 176.519 0.246 0.000 1.206 145 W CA 1.478 58.982 57.345 0.264 0.000 1.290 145 W CB -0.503 29.022 29.460 0.109 0.000 1.152 145 W HN -0.131 nan 8.180 nan 0.000 0.489 146 R N 0.145 120.806 120.500 0.268 0.000 2.120 146 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 146 R C 2.210 178.544 176.300 0.057 0.000 1.123 146 R CA 1.613 57.799 56.100 0.144 0.000 0.975 146 R CB -0.873 29.520 30.300 0.156 0.000 0.866 146 R HN 0.430 nan 8.270 nan 0.000 0.446 147 Q N 0.343 120.157 119.800 0.024 0.000 2.050 147 Q HA -0.131 4.208 4.340 -0.000 0.000 0.202 147 Q C 1.575 177.576 176.000 0.002 0.000 0.980 147 Q CA 2.018 57.789 55.803 -0.053 0.000 0.840 147 Q CB 0.041 28.655 28.738 -0.206 0.000 0.898 147 Q HN 0.194 nan 8.270 nan 0.000 0.424 148 T N 1.559 116.061 114.554 -0.087 0.000 2.788 148 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 148 T C 1.758 176.300 174.700 -0.264 0.000 1.044 148 T CA 1.069 63.015 62.100 -0.258 0.000 1.139 148 T CB -0.153 68.332 68.868 -0.637 0.000 0.867 148 T HN 0.260 nan 8.240 nan 0.000 0.454 149 L N 0.707 121.826 121.223 -0.173 0.000 2.131 149 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 149 L C 2.564 179.380 176.870 -0.091 0.000 1.092 149 L CA 0.729 55.496 54.840 -0.122 0.000 0.759 149 L CB -0.654 41.371 42.059 -0.056 0.000 0.903 149 L HN 0.176 nan 8.230 nan 0.000 0.435 150 V N 0.082 119.987 119.914 -0.016 0.000 2.358 150 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 150 V C 2.732 178.766 176.094 -0.101 0.000 1.047 150 V CA 1.771 64.070 62.300 -0.001 0.000 1.035 150 V CB -0.758 31.153 31.823 0.147 0.000 0.658 150 V HN 0.479 nan 8.190 nan 0.000 0.452 151 A N -0.337 122.430 122.820 -0.089 0.000 2.019 151 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 151 A C 2.100 179.476 177.584 -0.348 0.000 1.164 151 A CA 1.324 53.254 52.037 -0.178 0.000 0.644 151 A CB -0.528 18.412 19.000 -0.101 0.000 0.805 151 A HN 0.529 nan 8.150 nan 0.000 0.449 152 L N -0.570 120.377 121.223 -0.460 0.000 2.549 152 L HA -0.073 4.267 4.340 -0.000 0.000 0.229 152 L C 2.395 178.781 176.870 -0.806 0.000 1.158 152 L CA 0.563 54.874 54.840 -0.881 0.000 0.842 152 L CB -0.569 41.017 42.059 -0.788 0.000 0.952 152 L HN 0.500 nan 8.230 nan 0.000 0.452 153 G N -1.078 107.478 108.800 -0.407 0.000 2.679 153 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.212 153 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.212 153 G C 1.615 176.358 174.900 -0.261 0.000 1.137 153 G CA 0.443 45.391 45.100 -0.254 0.000 0.787 153 G HN 0.308 nan 8.290 nan 0.000 0.534 154 S N 0.093 115.578 115.700 -0.357 0.000 2.382 154 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 154 S C 1.976 176.346 174.600 -0.383 0.000 1.027 154 S CA 0.876 58.918 58.200 -0.262 0.000 0.991 154 S CB -0.228 62.837 63.200 -0.224 0.000 0.823 154 S HN 0.630 nan 8.310 nan 0.000 0.469 155 W N 1.873 122.908 121.300 -0.441 0.000 2.335 155 W HA -0.060 4.600 4.660 -0.000 0.000 0.311 155 W C 2.230 178.190 176.519 -0.930 0.000 1.213 155 W CA 0.639 57.562 57.345 -0.703 0.000 1.274 155 W CB -1.342 27.565 29.460 -0.922 0.000 1.148 155 W HN 0.463 nan 8.180 nan 0.000 0.498 156 E N 0.189 120.043 120.200 -0.578 0.000 2.072 156 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 156 E C 2.426 178.925 176.600 -0.168 0.000 0.985 156 E CA 1.438 57.517 56.400 -0.534 0.000 0.801 156 E CB -0.456 29.140 29.700 -0.173 0.000 0.750 156 E HN 0.102 nan 8.360 nan 0.000 0.452 157 A N 1.467 124.211 122.820 -0.128 0.000 1.865 157 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 157 A C 2.123 179.674 177.584 -0.056 0.000 1.191 157 A CA 1.728 53.754 52.037 -0.018 0.000 0.623 157 A CB -0.488 18.571 19.000 0.097 0.000 0.826 157 A HN 0.079 nan 8.150 nan 0.000 0.444 158 R N -0.627 119.726 120.500 -0.244 0.000 2.092 158 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 158 R C 2.315 178.373 176.300 -0.402 0.000 1.119 158 R CA 1.292 57.144 56.100 -0.414 0.000 0.970 158 R CB -0.368 29.476 30.300 -0.760 0.000 0.864 158 R HN 0.464 nan 8.270 nan 0.000 0.440 159 A N 0.881 123.567 122.820 -0.224 0.000 1.933 159 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 159 A C 1.979 179.696 177.584 0.221 0.000 1.175 159 A CA 1.100 53.158 52.037 0.035 0.000 0.628 159 A CB -0.490 18.538 19.000 0.046 0.000 0.814 159 A HN 0.362 nan 8.150 nan 0.000 0.444 160 L N -0.286 121.043 121.223 0.176 0.000 2.056 160 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 160 L C 2.286 179.124 176.870 -0.053 0.000 1.078 160 L CA 1.492 56.276 54.840 -0.094 0.000 0.749 160 L CB -0.492 41.422 42.059 -0.242 0.000 0.901 160 L HN 0.400 nan 8.230 nan 0.000 0.433 161 L N -1.202 120.007 121.223 -0.023 0.000 2.012 161 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 161 L C 2.533 179.481 176.870 0.130 0.000 1.073 161 L CA 1.787 56.643 54.840 0.027 0.000 0.748 161 L CB -0.868 41.212 42.059 0.035 0.000 0.891 161 L HN 0.426 nan 8.230 nan 0.000 0.431 162 H N -1.311 117.787 119.070 0.046 0.000 2.387 162 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 162 H C 2.320 177.707 175.328 0.100 0.000 1.090 162 H CA 1.309 57.387 56.048 0.049 0.000 1.332 162 H CB 0.081 29.886 29.762 0.071 0.000 1.386 162 H HN 0.302 nan 8.280 nan 0.000 0.516 163 T N 1.104 115.814 114.554 0.259 0.000 2.708 163 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 163 T C 2.171 176.959 174.700 0.147 0.000 1.037 163 T CA 0.839 63.077 62.100 0.230 0.000 1.146 163 T CB -0.219 68.749 68.868 0.167 0.000 0.865 163 T HN 0.208 nan 8.240 nan 0.000 0.435 164 L N 0.644 121.899 121.223 0.054 0.000 2.141 164 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 164 L C 2.697 179.588 176.870 0.035 0.000 1.094 164 L CA 1.218 56.070 54.840 0.020 0.000 0.763 164 L CB -0.573 41.470 42.059 -0.027 0.000 0.908 164 L HN 0.331 nan 8.230 nan 0.000 0.437 165 E N -0.644 119.573 120.200 0.029 0.000 2.118 165 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 165 E C 2.102 178.668 176.600 -0.057 0.000 0.992 165 E CA 1.000 57.381 56.400 -0.032 0.000 0.804 165 E CB -0.056 29.597 29.700 -0.079 0.000 0.741 165 E HN 0.527 nan 8.360 nan 0.000 0.458 166 H N -1.025 118.054 119.070 0.015 0.000 2.456 166 H HA -0.053 4.503 4.556 -0.000 0.000 0.296 166 H C 1.826 177.155 175.328 0.002 0.000 1.079 166 H CA 1.446 57.498 56.048 0.007 0.000 1.322 166 H CB 0.007 29.776 29.762 0.013 0.000 1.388 166 H HN 0.197 nan 8.280 nan 0.000 0.538 167 G N -0.250 108.618 108.800 0.113 0.000 3.337 167 G HA2 0.080 4.040 3.960 -0.000 0.000 0.246 167 G HA3 0.080 4.040 3.960 -0.000 0.000 0.246 167 G C -0.017 174.900 174.900 0.029 0.000 1.131 167 G CA -0.200 44.936 45.100 0.060 0.000 0.773 167 G HN 0.329 nan 8.290 nan 0.000 0.544 168 E N -0.927 119.284 120.200 0.019 0.000 2.389 168 E HA -0.169 4.181 4.350 -0.000 0.000 0.243 168 E C -0.268 176.332 176.600 0.001 0.000 1.154 168 E CA 0.227 56.629 56.400 0.003 0.000 0.723 168 E CB -1.555 28.147 29.700 0.004 0.000 1.261 168 E HN 0.416 nan 8.360 nan 0.000 0.390 169 L N -0.850 120.373 121.223 0.001 0.000 2.309 169 L HA 0.826 5.166 4.340 -0.000 0.000 0.261 169 L C 0.815 177.679 176.870 -0.010 0.000 1.021 169 L CA -0.772 54.064 54.840 -0.006 0.000 0.823 169 L CB 1.917 43.970 42.059 -0.009 0.000 1.366 169 L HN 0.088 nan 8.230 nan 0.000 0.423 170 G N -0.610 108.181 108.800 -0.015 0.000 2.714 170 G HA2 0.488 4.448 3.960 -0.000 0.000 0.292 170 G HA3 0.488 4.448 3.960 -0.000 0.000 0.292 170 G C 0.490 175.374 174.900 -0.027 0.000 1.308 170 G CA -0.484 44.606 45.100 -0.017 0.000 0.964 170 G HN 0.304 nan 8.290 nan 0.000 0.484 171 V N 0.435 120.332 119.914 -0.029 0.000 2.594 171 V HA -0.097 4.023 4.120 -0.000 0.000 0.253 171 V C 2.006 178.081 176.094 -0.031 0.000 1.069 171 V CA 1.827 64.104 62.300 -0.038 0.000 1.082 171 V CB -0.352 31.451 31.823 -0.034 0.000 0.680 171 V HN 0.612 nan 8.190 nan 0.000 0.469 172 D N 0.164 120.550 120.400 -0.023 0.000 2.371 172 D HA -0.096 4.544 4.640 -0.000 0.000 0.221 172 D C 1.333 177.622 176.300 -0.018 0.000 0.986 172 D CA 0.780 54.769 54.000 -0.019 0.000 0.899 172 D CB -0.119 40.672 40.800 -0.015 0.000 0.902 172 D HN 0.484 nan 8.370 nan 0.000 0.530 173 D N 0.424 120.811 120.400 -0.021 0.000 2.339 173 D HA 0.006 4.646 4.640 -0.000 0.000 0.217 173 D C 0.973 177.260 176.300 -0.022 0.000 1.050 173 D CA 0.181 54.169 54.000 -0.019 0.000 0.856 173 D CB 1.085 41.875 40.800 -0.018 0.000 0.922 173 D HN 0.154 nan 8.370 nan 0.000 0.518 174 V N -2.543 117.353 119.914 -0.029 0.000 3.158 174 V HA 0.539 4.659 4.120 -0.000 0.000 0.311 174 V C -0.683 175.399 176.094 -0.021 0.000 1.181 174 V CA -0.970 61.311 62.300 -0.030 0.000 1.054 174 V CB 2.914 34.704 31.823 -0.056 0.000 1.085 174 V HN -0.316 nan 8.190 nan 0.000 0.446 175 E N 1.989 122.181 120.200 -0.013 0.000 2.113 175 E HA 0.507 4.857 4.350 -0.000 0.000 0.273 175 E C -1.085 175.517 176.600 0.004 0.000 0.924 175 E CA -0.276 56.123 56.400 -0.002 0.000 0.764 175 E CB 1.904 31.608 29.700 0.007 0.000 1.104 175 E HN 0.639 nan 8.360 nan 0.000 0.406 176 L N 2.977 124.204 121.223 0.006 0.000 2.260 176 L HA 0.343 4.683 4.340 -0.000 0.000 0.289 176 L C -0.220 176.668 176.870 0.030 0.000 1.057 176 L CA -0.823 54.029 54.840 0.019 0.000 0.811 176 L CB 0.941 43.008 42.059 0.013 0.000 1.184 176 L HN 0.100 nan 8.230 nan 0.000 0.429 177 V N 5.080 125.021 119.914 0.046 0.000 2.448 177 V HA 0.336 4.456 4.120 -0.000 0.000 0.295 177 V C -2.173 173.955 176.094 0.057 0.000 1.025 177 V CA -1.957 60.371 62.300 0.047 0.000 0.859 177 V CB 1.849 33.701 31.823 0.049 0.000 0.988 177 V HN 0.583 nan 8.190 nan 0.000 0.431 178 P HA 0.330 nan 4.420 nan 0.000 0.267 178 P C -0.515 176.818 177.300 0.055 0.000 1.209 178 P CA 0.343 63.474 63.100 0.051 0.000 0.763 178 P CB 0.360 32.084 31.700 0.041 0.000 0.816 179 I N -1.241 119.367 120.570 0.064 0.000 3.279 179 I HA 0.642 4.812 4.170 -0.000 0.000 0.315 179 I C -0.737 175.418 176.117 0.063 0.000 1.187 179 I CA -1.234 60.103 61.300 0.062 0.000 0.953 179 I CB 2.236 40.278 38.000 0.070 0.000 1.279 179 I HN 0.071 nan 8.210 nan 0.000 0.465 180 S N 1.431 117.163 115.700 0.055 0.000 2.499 180 S HA 0.545 5.015 4.470 -0.000 0.000 0.279 180 S C -0.489 174.146 174.600 0.058 0.000 1.219 180 S CA -0.245 57.989 58.200 0.057 0.000 1.062 180 S CB 0.690 63.916 63.200 0.044 0.000 0.978 180 S HN 0.701 nan 8.310 nan 0.000 0.489 181 S N 4.953 120.702 115.700 0.082 0.000 2.502 181 S HA 0.641 5.111 4.470 -0.000 0.000 0.304 181 S C -2.796 171.862 174.600 0.096 0.000 1.097 181 S CA -1.783 56.477 58.200 0.100 0.000 1.045 181 S CB 1.266 64.562 63.200 0.160 0.000 1.019 181 S HN 0.696 nan 8.310 nan 0.000 0.481 182 P HA 0.220 nan 4.420 nan 0.000 0.267 182 P C 0.900 178.228 177.300 0.047 0.000 1.205 182 P CA 0.954 63.948 63.100 -0.177 0.000 0.765 182 P CB 0.533 31.745 31.700 -0.814 0.000 0.828 183 G N 2.001 110.869 108.800 0.112 0.000 2.284 183 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.247 183 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.247 183 G C 0.745 175.907 174.900 0.437 0.000 1.012 183 G CA 0.306 45.622 45.100 0.359 0.000 0.618 183 G HN 0.407 nan 8.290 nan 0.000 0.521 184 V N 0.569 120.676 119.914 0.322 0.000 2.672 184 V HA 0.194 4.314 4.120 -0.000 0.000 0.242 184 V C 0.775 176.969 176.094 0.165 0.000 1.059 184 V CA 1.462 63.870 62.300 0.180 0.000 1.081 184 V CB 0.085 31.985 31.823 0.128 0.000 0.752 184 V HN 0.373 nan 8.190 nan 0.000 0.472 185 D N 1.577 122.088 120.400 0.184 0.000 2.485 185 D HA 0.364 5.004 4.640 -0.000 0.000 0.221 185 D C -0.902 175.532 176.300 0.223 0.000 1.112 185 D CA 0.366 54.468 54.000 0.169 0.000 0.911 185 D CB 1.734 42.608 40.800 0.124 0.000 1.019 185 D HN 0.119 nan 8.370 nan 0.000 0.516 186 V N 4.054 124.135 119.914 0.277 0.000 2.454 186 V HA 0.203 4.323 4.120 -0.000 0.000 0.267 186 V C -2.284 174.035 176.094 0.376 0.000 0.993 186 V CA -1.557 60.947 62.300 0.340 0.000 0.836 186 V CB 1.547 33.659 31.823 0.482 0.000 1.055 186 V HN 0.212 nan 8.190 nan 0.000 0.452 187 P HA 0.148 nan 4.420 nan 0.000 0.267 187 P C 1.025 178.370 177.300 0.075 0.000 1.200 187 P CA 0.205 63.401 63.100 0.160 0.000 0.772 187 P CB 1.025 32.776 31.700 0.085 0.000 0.855 188 A N 2.954 125.776 122.820 0.003 0.000 1.940 188 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 188 A C 1.746 179.220 177.584 -0.183 0.000 1.176 188 A CA 1.810 53.722 52.037 -0.209 0.000 0.631 188 A CB -1.002 17.895 19.000 -0.171 0.000 0.814 188 A HN 0.595 nan 8.150 nan 0.000 0.446 189 E N -0.323 119.821 120.200 -0.093 0.000 2.106 189 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 189 E C 2.091 178.636 176.600 -0.092 0.000 0.984 189 E CA 1.357 57.706 56.400 -0.085 0.000 0.806 189 E CB -0.369 29.302 29.700 -0.047 0.000 0.750 189 E HN 0.817 nan 8.360 nan 0.000 0.458 190 Q N 0.229 119.987 119.800 -0.069 0.000 2.079 190 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 190 Q C 2.142 178.068 176.000 -0.123 0.000 0.974 190 Q CA 1.060 56.822 55.803 -0.069 0.000 0.840 190 Q CB -0.100 28.626 28.738 -0.020 0.000 0.898 190 Q HN 0.318 nan 8.270 nan 0.000 0.430 191 L N 1.277 122.398 121.223 -0.171 0.000 1.989 191 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 191 L C 1.835 178.550 176.870 -0.260 0.000 1.071 191 L CA 2.040 56.718 54.840 -0.269 0.000 0.749 191 L CB -0.393 41.365 42.059 -0.502 0.000 0.890 191 L HN 0.227 nan 8.230 nan 0.000 0.431 192 E N -0.668 119.383 120.200 -0.249 0.000 2.265 192 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 192 E C 1.881 178.393 176.600 -0.147 0.000 0.996 192 E CA 1.270 57.550 56.400 -0.201 0.000 0.832 192 E CB -0.077 29.514 29.700 -0.182 0.000 0.756 192 E HN 0.660 nan 8.360 nan 0.000 0.491 193 E N 0.514 120.637 120.200 -0.129 0.000 2.385 193 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 193 E C 0.589 177.128 176.600 -0.102 0.000 1.013 193 E CA -0.159 56.181 56.400 -0.100 0.000 0.866 193 E CB 0.400 30.052 29.700 -0.081 0.000 0.832 193 E HN -0.086 nan 8.360 nan 0.000 0.500 194 S N -0.066 115.558 115.700 -0.127 0.000 2.564 194 S HA 0.262 4.732 4.470 -0.000 0.000 0.278 194 S C 1.100 175.629 174.600 -0.118 0.000 1.333 194 S CA 0.081 58.204 58.200 -0.129 0.000 1.048 194 S CB 1.321 64.419 63.200 -0.170 0.000 0.900 194 S HN 0.243 nan 8.310 nan 0.000 0.505 195 A N 3.919 126.682 122.820 -0.096 0.000 1.877 195 A HA 0.135 4.455 4.320 -0.000 0.000 0.216 195 A C 1.321 178.851 177.584 -0.091 0.000 1.186 195 A CA 1.858 53.847 52.037 -0.080 0.000 0.620 195 A CB -0.966 17.998 19.000 -0.059 0.000 0.822 195 A HN 1.074 nan 8.150 nan 0.000 0.443 196 T N -5.593 108.897 114.554 -0.106 0.000 2.754 196 T HA 0.422 4.772 4.350 -0.000 0.000 0.296 196 T C 0.311 174.915 174.700 -0.160 0.000 1.205 196 T CA 0.150 62.179 62.100 -0.119 0.000 1.009 196 T CB 1.157 69.970 68.868 -0.092 0.000 1.368 196 T HN 0.822 nan 8.240 nan 0.000 0.509 197 V N -1.782 118.027 119.914 -0.176 0.000 3.577 197 V HA 0.405 4.525 4.120 -0.000 0.000 0.294 197 V C 0.545 176.532 176.094 -0.179 0.000 1.317 197 V CA -0.409 61.758 62.300 -0.222 0.000 1.169 197 V CB -1.555 30.111 31.823 -0.262 0.000 1.011 197 V HN 0.720 nan 8.190 nan 0.000 0.426 198 K N 1.220 121.547 120.400 -0.122 0.000 2.382 198 K HA 0.341 4.661 4.320 -0.000 0.000 0.275 198 K C 1.574 178.166 176.600 -0.015 0.000 1.009 198 K CA 0.414 56.673 56.287 -0.046 0.000 0.970 198 K CB 1.121 33.609 32.500 -0.020 0.000 0.934 198 K HN 0.302 nan 8.250 nan 0.000 0.479 199 G N 1.885 110.750 108.800 0.110 0.000 2.469 199 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.220 199 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.220 199 G C 1.439 176.449 174.900 0.185 0.000 1.136 199 G CA 1.141 46.406 45.100 0.276 0.000 0.759 199 G HN 0.696 nan 8.290 nan 0.000 0.562 200 A N 0.586 123.469 122.820 0.104 0.000 1.972 200 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 200 A C 2.067 179.661 177.584 0.016 0.000 1.169 200 A CA 2.111 54.191 52.037 0.071 0.000 0.635 200 A CB -0.193 18.837 19.000 0.048 0.000 0.810 200 A HN 0.314 nan 8.150 nan 0.000 0.446 201 D N -1.137 119.241 120.400 -0.037 0.000 2.259 201 D HA 0.020 4.660 4.640 -0.000 0.000 0.216 201 D C 1.740 177.944 176.300 -0.160 0.000 0.961 201 D CA 0.616 54.566 54.000 -0.084 0.000 0.878 201 D CB -0.180 40.563 40.800 -0.095 0.000 1.009 201 D HN 0.329 nan 8.370 nan 0.000 0.490 202 L N -0.398 120.650 121.223 -0.293 0.000 2.209 202 L HA 0.088 4.428 4.340 -0.000 0.000 0.207 202 L C 0.113 176.590 176.870 -0.655 0.000 1.094 202 L CA 1.167 55.659 54.840 -0.580 0.000 0.790 202 L CB 0.021 41.515 42.059 -0.941 0.000 0.932 202 L HN -0.178 nan 8.230 nan 0.000 0.447 203 F N 1.260 121.237 119.950 0.045 0.000 2.542 203 F HA 0.430 4.957 4.527 -0.000 0.000 0.323 203 F C -2.169 173.609 175.800 -0.037 0.000 1.411 203 F CA -2.890 55.105 58.000 -0.009 0.000 1.124 203 F CB -0.471 38.578 39.000 0.082 0.000 1.331 203 F HN -0.015 nan 8.300 nan 0.000 0.560 204 P HA 0.126 nan 4.420 nan 0.000 0.279 204 P C -0.218 177.075 177.300 -0.012 0.000 1.239 204 P CA -0.005 63.115 63.100 0.033 0.000 0.789 204 P CB 1.038 32.740 31.700 0.004 0.000 0.933 205 D N 0.938 121.331 120.400 -0.012 0.000 2.704 205 D HA -0.123 4.517 4.640 -0.000 0.000 0.232 205 D C 1.249 177.485 176.300 -0.107 0.000 1.183 205 D CA 0.262 54.237 54.000 -0.042 0.000 0.647 205 D CB -1.358 39.423 40.800 -0.032 0.000 1.013 205 D HN 0.090 nan 8.370 nan 0.000 0.415 206 V N 0.505 120.297 119.914 -0.204 0.000 2.261 206 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 206 V C 2.744 178.691 176.094 -0.245 0.000 1.047 206 V CA 2.451 64.527 62.300 -0.373 0.000 1.015 206 V CB -0.446 30.794 31.823 -0.971 0.000 0.642 206 V HN 0.591 nan 8.190 nan 0.000 0.446 207 A N -0.095 122.625 122.820 -0.165 0.000 1.940 207 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 207 A C 2.396 179.923 177.584 -0.095 0.000 1.176 207 A CA 2.193 54.158 52.037 -0.120 0.000 0.631 207 A CB -0.623 18.328 19.000 -0.080 0.000 0.814 207 A HN 0.505 nan 8.150 nan 0.000 0.446 208 R N -0.662 119.792 120.500 -0.076 0.000 2.081 208 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 208 R C 2.237 178.504 176.300 -0.054 0.000 1.131 208 R CA 1.581 57.649 56.100 -0.054 0.000 0.960 208 R CB -0.628 29.647 30.300 -0.041 0.000 0.856 208 R HN 0.464 nan 8.270 nan 0.000 0.436 209 G N -0.069 108.689 108.800 -0.071 0.000 2.408 209 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 209 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 209 G C 1.196 176.062 174.900 -0.056 0.000 1.150 209 G CA 0.310 45.374 45.100 -0.061 0.000 0.776 209 G HN 0.393 nan 8.290 nan 0.000 0.542 210 Q N 0.136 119.888 119.800 -0.081 0.000 2.123 210 Q HA 0.084 4.424 4.340 -0.000 0.000 0.199 210 Q C 2.968 178.942 176.000 -0.043 0.000 0.966 210 Q CA 0.990 56.752 55.803 -0.069 0.000 0.845 210 Q CB -0.186 28.484 28.738 -0.113 0.000 0.907 210 Q HN 0.471 nan 8.270 nan 0.000 0.439 211 A N 1.177 123.968 122.820 -0.048 0.000 1.930 211 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 211 A C 2.283 179.863 177.584 -0.007 0.000 1.175 211 A CA 1.462 53.485 52.037 -0.024 0.000 0.627 211 A CB -0.602 18.382 19.000 -0.027 0.000 0.815 211 A HN 0.379 nan 8.150 nan 0.000 0.443 212 A N -0.513 122.300 122.820 -0.012 0.000 1.930 212 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 212 A C 2.198 179.786 177.584 0.008 0.000 1.175 212 A CA 1.688 53.723 52.037 -0.002 0.000 0.627 212 A CB -0.844 18.152 19.000 -0.007 0.000 0.815 212 A HN 0.366 nan 8.150 nan 0.000 0.443 213 V N 0.158 120.077 119.914 0.008 0.000 2.343 213 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 213 V C 2.457 178.572 176.094 0.035 0.000 1.051 213 V CA 1.867 64.180 62.300 0.023 0.000 1.036 213 V CB -0.714 31.125 31.823 0.027 0.000 0.654 213 V HN 0.572 nan 8.190 nan 0.000 0.451 214 L N -0.073 121.172 121.223 0.036 0.000 2.362 214 L HA -0.031 4.309 4.340 -0.000 0.000 0.219 214 L C 2.277 179.172 176.870 0.041 0.000 1.134 214 L CA 1.111 55.981 54.840 0.050 0.000 0.807 214 L CB -0.480 41.615 42.059 0.059 0.000 0.927 214 L HN 0.369 nan 8.230 nan 0.000 0.447 215 A N -0.855 121.982 122.820 0.029 0.000 2.308 215 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 215 A C 2.283 179.881 177.584 0.022 0.000 1.216 215 A CA 0.678 52.730 52.037 0.024 0.000 0.864 215 A CB -0.161 18.849 19.000 0.017 0.000 0.902 215 A HN 0.403 nan 8.150 nan 0.000 0.499 216 S N -1.210 114.505 115.700 0.025 0.000 2.447 216 S HA 0.244 4.714 4.470 -0.000 0.000 0.233 216 S C 1.662 176.277 174.600 0.024 0.000 1.006 216 S CA 1.376 59.589 58.200 0.023 0.000 0.957 216 S CB -0.460 62.755 63.200 0.025 0.000 0.773 216 S HN 1.825 nan 8.310 nan 0.000 0.507 217 G N 0.918 109.734 108.800 0.028 0.000 2.176 217 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.253 217 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.253 217 G C 0.333 175.250 174.900 0.029 0.000 0.979 217 G CA 0.426 45.542 45.100 0.027 0.000 0.641 217 G HN 0.564 nan 8.290 nan 0.000 0.530 218 D N -0.456 119.963 120.400 0.032 0.000 2.398 218 D HA 0.360 5.000 4.640 -0.000 0.000 0.210 218 D C 0.677 177.002 176.300 0.042 0.000 1.094 218 D CA 0.481 54.501 54.000 0.033 0.000 0.839 218 D CB 1.331 42.150 40.800 0.031 0.000 0.963 218 D HN 0.352 nan 8.370 nan 0.000 0.506 219 V N 0.914 120.858 119.914 0.050 0.000 2.925 219 V HA 0.211 4.331 4.120 -0.000 0.000 0.311 219 V C 0.119 176.256 176.094 0.070 0.000 1.104 219 V CA -0.668 61.671 62.300 0.065 0.000 0.954 219 V CB 3.124 34.994 31.823 0.078 0.000 1.022 219 V HN -0.206 nan 8.190 nan 0.000 0.427 220 D N 1.456 121.904 120.400 0.080 0.000 2.380 220 D HA 0.444 5.084 4.640 -0.000 0.000 0.212 220 D C 0.378 176.749 176.300 0.118 0.000 1.021 220 D CA 1.037 55.086 54.000 0.081 0.000 0.884 220 D CB 1.555 42.392 40.800 0.062 0.000 1.001 220 D HN 0.683 nan 8.370 nan 0.000 0.506 221 A N 0.363 123.280 122.820 0.162 0.000 2.612 221 A HA 0.622 4.942 4.320 -0.000 0.000 0.293 221 A C -1.855 175.932 177.584 0.339 0.000 1.075 221 A CA -0.722 51.467 52.037 0.253 0.000 0.680 221 A CB 1.348 20.521 19.000 0.289 0.000 1.279 221 A HN 0.073 nan 8.150 nan 0.000 0.411 222 L N -1.762 119.672 121.223 0.353 0.000 2.469 222 L HA 0.798 5.138 4.340 -0.000 0.000 0.256 222 L C -0.888 175.960 176.870 -0.037 0.000 1.006 222 L CA -0.821 54.170 54.840 0.251 0.000 0.832 222 L CB 1.118 43.262 42.059 0.142 0.000 1.421 222 L HN 0.808 nan 8.230 nan 0.000 0.410 223 Y N 0.620 120.624 120.300 -0.494 0.000 2.316 223 Y HA 0.726 5.276 4.550 -0.000 0.000 0.331 223 Y C 0.061 175.841 175.900 -0.200 0.000 1.083 223 Y CA 0.527 58.196 58.100 -0.717 0.000 1.206 223 Y CB 1.230 39.185 38.460 -0.842 0.000 1.195 223 Y HN 0.915 nan 8.280 nan 0.000 0.497 224 S N 6.659 121.954 115.700 -0.675 0.000 2.564 224 S HA 0.794 5.264 4.470 -0.000 0.000 0.274 224 S C -1.704 172.674 174.600 -0.370 0.000 1.124 224 S CA -0.468 57.469 58.200 -0.439 0.000 0.869 224 S CB 0.825 63.742 63.200 -0.472 0.000 1.105 224 S HN 0.841 nan 8.310 nan 0.000 0.472 225 W N 3.031 124.057 121.300 -0.456 0.000 2.803 225 W HA 0.642 5.302 4.660 -0.000 0.000 0.424 225 W C -1.472 174.853 176.519 -0.323 0.000 1.092 225 W CA -1.171 55.969 57.345 -0.343 0.000 1.184 225 W CB -1.128 28.107 29.460 -0.375 0.000 1.470 225 W HN 0.905 nan 8.180 nan 0.000 0.598 226 L N -1.687 119.212 121.223 -0.541 0.000 5.699 226 L HA -0.280 4.060 4.340 -0.000 0.000 0.276 226 L C -1.615 174.847 176.870 -0.681 0.000 1.125 226 L CA 0.052 54.388 54.840 -0.840 0.000 1.287 226 L CB -1.765 39.380 42.059 -1.523 0.000 2.083 226 L HN 0.285 nan 8.230 nan 0.000 0.864 227 P HA -0.128 nan 4.420 nan 0.000 0.225 227 P C 1.174 178.299 177.300 -0.291 0.000 1.148 227 P CA 1.582 64.323 63.100 -0.599 0.000 0.779 227 P CB -0.034 31.277 31.700 -0.647 0.000 0.780 228 W N 0.214 121.327 121.300 -0.312 0.000 2.342 228 W HA -0.011 4.649 4.660 -0.000 0.000 0.297 228 W C 2.355 178.695 176.519 -0.299 0.000 1.213 228 W CA 0.924 58.112 57.345 -0.261 0.000 1.251 228 W CB -1.926 27.387 29.460 -0.245 0.000 1.136 228 W HN -0.002 nan 8.180 nan 0.000 0.526 229 A N 0.697 123.446 122.820 -0.119 0.000 1.969 229 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 229 A C 2.435 179.895 177.584 -0.207 0.000 1.169 229 A CA 2.064 53.924 52.037 -0.295 0.000 0.635 229 A CB -1.301 17.620 19.000 -0.132 0.000 0.810 229 A HN 0.263 nan 8.150 nan 0.000 0.445 230 G N -0.355 108.363 108.800 -0.137 0.000 2.402 230 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 230 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 230 G C 1.425 176.276 174.900 -0.080 0.000 1.162 230 G CA 0.908 45.952 45.100 -0.094 0.000 0.777 230 G HN 0.646 nan 8.290 nan 0.000 0.539 231 E N -0.292 119.857 120.200 -0.086 0.000 2.152 231 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 231 E C 2.380 178.930 176.600 -0.083 0.000 0.983 231 E CA 0.410 56.773 56.400 -0.062 0.000 0.818 231 E CB -0.103 29.577 29.700 -0.032 0.000 0.758 231 E HN 0.345 nan 8.360 nan 0.000 0.467 232 L N 1.453 122.583 121.223 -0.155 0.000 2.056 232 L HA -0.208 4.131 4.340 -0.000 0.000 0.207 232 L C 2.449 179.242 176.870 -0.128 0.000 1.078 232 L CA 1.857 56.572 54.840 -0.208 0.000 0.749 232 L CB -0.477 41.314 42.059 -0.446 0.000 0.901 232 L HN 0.004 nan 8.230 nan 0.000 0.433 233 Q N -0.426 119.321 119.800 -0.088 0.000 2.135 233 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 233 Q C 2.083 178.110 176.000 0.046 0.000 0.981 233 Q CA 2.041 57.898 55.803 0.089 0.000 0.856 233 Q CB -0.318 28.516 28.738 0.161 0.000 0.902 233 Q HN 0.622 nan 8.270 nan 0.000 0.425 234 A N -0.322 122.501 122.820 0.005 0.000 2.125 234 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 234 A C 2.113 179.699 177.584 0.003 0.000 1.156 234 A CA 1.668 53.706 52.037 0.003 0.000 0.671 234 A CB -0.881 18.113 19.000 -0.011 0.000 0.794 234 A HN 0.630 nan 8.150 nan 0.000 0.459 235 T N -4.295 110.257 114.554 -0.003 0.000 3.088 235 T HA 0.376 4.726 4.350 -0.000 0.000 0.259 235 T C 1.114 175.824 174.700 0.016 0.000 1.122 235 T CA 1.083 63.183 62.100 0.000 0.000 1.095 235 T CB -0.072 68.788 68.868 -0.012 0.000 0.930 235 T HN 1.707 nan 8.240 nan 0.000 0.508 236 G N 0.277 109.096 108.800 0.032 0.000 2.618 236 G HA2 0.360 4.320 3.960 -0.000 0.000 0.180 236 G HA3 0.360 4.320 3.960 -0.000 0.000 0.180 236 G C -0.160 174.783 174.900 0.071 0.000 1.092 236 G CA -0.414 44.713 45.100 0.045 0.000 0.856 236 G HN 1.082 nan 8.290 nan 0.000 0.496 237 A N 0.152 123.040 122.820 0.114 0.000 2.527 237 A HA 1.077 5.397 4.320 -0.000 0.000 0.293 237 A C -0.075 177.680 177.584 0.286 0.000 1.117 237 A CA -0.237 51.919 52.037 0.198 0.000 0.723 237 A CB 1.497 20.632 19.000 0.226 0.000 1.313 237 A HN 1.595 nan 8.150 nan 0.000 0.411 238 R N 0.276 120.925 120.500 0.248 0.000 2.707 238 R HA 0.678 5.018 4.340 -0.000 0.000 0.272 238 R C -3.310 172.727 176.300 -0.439 0.000 1.011 238 R CA -1.773 54.320 56.100 -0.012 0.000 0.893 238 R CB 2.135 32.418 30.300 -0.027 0.000 1.233 238 R HN 0.453 nan 8.270 nan 0.000 0.464 239 P HA 0.061 nan 4.420 nan 0.000 0.285 239 P C 0.742 177.844 177.300 -0.330 0.000 1.259 239 P CA -0.534 62.035 63.100 -0.885 0.000 0.794 239 P CB 1.707 32.848 31.700 -0.932 0.000 0.940 240 V N 2.965 122.778 119.914 -0.168 0.000 2.343 240 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 240 V C 1.191 177.230 176.094 -0.093 0.000 1.051 240 V CA 1.605 63.861 62.300 -0.074 0.000 1.036 240 V CB -0.248 31.577 31.823 0.005 0.000 0.654 240 V HN 0.378 nan 8.190 nan 0.000 0.451 241 V N 0.324 120.185 119.914 -0.088 0.000 2.569 241 V HA 0.346 4.466 4.120 -0.000 0.000 0.301 241 V C -1.026 175.017 176.094 -0.084 0.000 1.044 241 V CA -0.856 61.376 62.300 -0.113 0.000 0.874 241 V CB 1.880 33.636 31.823 -0.113 0.000 1.002 241 V HN 0.253 nan 8.190 nan 0.000 0.424 242 D N 4.179 124.521 120.400 -0.096 0.000 2.402 242 D HA 0.239 4.879 4.640 -0.000 0.000 0.235 242 D C 1.066 177.374 176.300 0.013 0.000 1.226 242 D CA 0.009 53.975 54.000 -0.055 0.000 0.918 242 D CB 1.019 41.787 40.800 -0.055 0.000 1.043 242 D HN 0.493 nan 8.370 nan 0.000 0.506 243 L N 2.700 123.968 121.223 0.074 0.000 2.362 243 L HA 0.004 4.344 4.340 -0.000 0.000 0.219 243 L C 2.329 179.267 176.870 0.113 0.000 1.134 243 L CA 0.782 55.701 54.840 0.131 0.000 0.807 243 L CB -0.116 42.067 42.059 0.206 0.000 0.927 243 L HN 0.444 nan 8.230 nan 0.000 0.447 244 G N 0.059 108.917 108.800 0.096 0.000 2.559 244 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 244 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 244 G C 1.470 176.407 174.900 0.061 0.000 1.126 244 G CA 0.150 45.303 45.100 0.089 0.000 0.778 244 G HN 0.323 nan 8.290 nan 0.000 0.543 245 L N -0.231 121.020 121.223 0.047 0.000 2.591 245 L HA 0.232 4.572 4.340 -0.000 0.000 0.228 245 L C 0.227 177.119 176.870 0.037 0.000 1.133 245 L CA 0.097 54.957 54.840 0.033 0.000 0.880 245 L CB 0.234 42.302 42.059 0.015 0.000 1.033 245 L HN 0.054 nan 8.230 nan 0.000 0.450 246 D N 0.163 120.593 120.400 0.049 0.000 2.629 246 D HA 0.003 4.643 4.640 -0.000 0.000 0.250 246 D C 0.583 176.901 176.300 0.031 0.000 1.126 246 D CA -0.179 53.844 54.000 0.039 0.000 0.852 246 D CB 2.015 42.844 40.800 0.048 0.000 1.335 246 D HN -0.098 nan 8.370 nan 0.000 0.518 247 E N 3.450 123.659 120.200 0.015 0.000 2.331 247 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 247 E C 1.452 178.046 176.600 -0.010 0.000 1.008 247 E CA 0.724 57.128 56.400 0.006 0.000 0.843 247 E CB 0.143 29.845 29.700 0.003 0.000 0.761 247 E HN 0.585 nan 8.360 nan 0.000 0.507 248 R N -0.118 120.372 120.500 -0.016 0.000 2.357 248 R HA 0.033 4.373 4.340 -0.000 0.000 0.202 248 R C 0.883 177.191 176.300 0.012 0.000 1.047 248 R CA 0.896 56.983 56.100 -0.022 0.000 1.034 248 R CB -0.165 30.081 30.300 -0.089 0.000 0.875 248 R HN -0.017 nan 8.270 nan 0.000 0.473 249 N N 0.627 119.331 118.700 0.007 0.000 2.203 249 N HA 0.145 4.885 4.740 -0.000 0.000 0.207 249 N C -0.311 175.103 175.510 -0.160 0.000 1.130 249 N CA 0.252 53.289 53.050 -0.021 0.000 0.861 249 N CB 1.280 39.838 38.487 0.119 0.000 1.005 249 N HN 0.280 nan 8.380 nan 0.000 0.507 250 A N 0.417 123.145 122.820 -0.154 0.000 2.304 250 A HA 0.562 4.882 4.320 -0.000 0.000 0.271 250 A C -0.829 176.567 177.584 -0.314 0.000 1.091 250 A CA 0.051 52.023 52.037 -0.107 0.000 0.812 250 A CB 0.425 19.414 19.000 -0.019 0.000 1.056 250 A HN 0.154 nan 8.150 nan 0.000 0.489 251 Y N -1.291 119.086 120.300 0.127 0.000 2.605 251 Y HA 0.574 5.124 4.550 -0.000 0.000 0.343 251 Y C 0.365 176.337 175.900 0.119 0.000 1.036 251 Y CA -0.296 57.892 58.100 0.147 0.000 1.065 251 Y CB 2.238 40.829 38.460 0.218 0.000 1.288 251 Y HN 0.770 nan 8.280 nan 0.000 0.481 252 A N 1.477 124.485 122.820 0.313 0.000 2.316 252 A HA 0.578 4.898 4.320 -0.000 0.000 0.324 252 A C -0.661 177.065 177.584 0.237 0.000 1.375 252 A CA -0.591 51.577 52.037 0.218 0.000 0.882 252 A CB -0.173 18.931 19.000 0.175 0.000 1.152 252 A HN 0.608 nan 8.150 nan 0.000 0.512 253 S N 0.880 116.714 115.700 0.223 0.000 2.549 253 S HA 0.392 4.862 4.470 -0.000 0.000 0.283 253 S C 0.459 175.259 174.600 0.333 0.000 1.320 253 S CA -0.142 58.225 58.200 0.279 0.000 1.058 253 S CB 0.772 64.108 63.200 0.228 0.000 0.882 253 S HN 1.278 nan 8.310 nan 0.000 0.498 254 V N 0.873 120.944 119.914 0.263 0.000 2.628 254 V HA 0.702 4.822 4.120 -0.000 0.000 0.306 254 V C -1.146 174.838 176.094 -0.183 0.000 1.045 254 V CA -1.059 61.255 62.300 0.023 0.000 0.905 254 V CB 1.438 33.255 31.823 -0.009 0.000 0.997 254 V HN 0.889 nan 8.190 nan 0.000 0.436 255 W N 5.096 125.903 121.300 -0.822 0.000 2.294 255 W HA 0.775 5.435 4.660 -0.000 0.000 0.314 255 W C 0.061 176.258 176.519 -0.536 0.000 1.044 255 W CA -0.348 56.414 57.345 -0.971 0.000 1.284 255 W CB 1.080 29.667 29.460 -1.456 0.000 1.231 255 W HN 1.038 nan 8.180 nan 0.000 0.419 256 T N 2.468 116.907 114.554 -0.192 0.000 2.942 256 T HA 0.810 5.160 4.350 -0.000 0.000 0.289 256 T C -1.109 173.414 174.700 -0.295 0.000 1.044 256 T CA -0.893 61.036 62.100 -0.285 0.000 1.023 256 T CB 1.992 70.798 68.868 -0.104 0.000 1.123 256 T HN 0.424 nan 8.240 nan 0.000 0.512 257 V N 0.253 120.009 119.914 -0.265 0.000 3.087 257 V HA 0.562 4.682 4.120 -0.000 0.000 0.306 257 V C -0.433 175.626 176.094 -0.058 0.000 1.187 257 V CA -0.786 61.390 62.300 -0.206 0.000 0.999 257 V CB 2.503 34.105 31.823 -0.369 0.000 1.049 257 V HN 1.197 nan 8.190 nan 0.000 0.431 258 S N 3.039 118.756 115.700 0.028 0.000 2.546 258 S HA 0.051 4.521 4.470 -0.000 0.000 0.290 258 S C 1.389 176.009 174.600 0.033 0.000 1.290 258 S CA 0.468 58.722 58.200 0.090 0.000 1.069 258 S CB 1.203 64.475 63.200 0.120 0.000 0.846 258 S HN 0.882 nan 8.310 nan 0.000 0.495 259 S N 3.514 119.251 115.700 0.061 0.000 2.400 259 S HA -0.114 4.355 4.470 -0.000 0.000 0.232 259 S C 2.292 176.915 174.600 0.038 0.000 1.025 259 S CA 1.194 59.423 58.200 0.049 0.000 0.993 259 S CB -0.539 62.705 63.200 0.073 0.000 0.808 259 S HN 0.926 nan 8.310 nan 0.000 0.478 260 G N 1.501 110.327 108.800 0.044 0.000 2.432 260 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 260 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 260 G C 1.285 176.199 174.900 0.023 0.000 1.135 260 G CA 0.485 45.608 45.100 0.038 0.000 0.767 260 G HN 0.446 nan 8.290 nan 0.000 0.550 261 L N 0.118 121.344 121.223 0.004 0.000 2.093 261 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 261 L C 2.947 179.795 176.870 -0.036 0.000 1.085 261 L CA 0.320 55.146 54.840 -0.025 0.000 0.755 261 L CB -0.371 41.651 42.059 -0.061 0.000 0.904 261 L HN 0.092 nan 8.230 nan 0.000 0.435 262 V N -0.077 119.816 119.914 -0.035 0.000 2.358 262 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 262 V C 2.664 178.825 176.094 0.113 0.000 1.047 262 V CA 1.801 64.121 62.300 0.034 0.000 1.035 262 V CB -0.485 31.377 31.823 0.064 0.000 0.658 262 V HN 0.398 nan 8.190 nan 0.000 0.452 263 R N 0.108 120.649 120.500 0.069 0.000 2.093 263 R HA -0.054 4.286 4.340 -0.000 0.000 0.224 263 R C 2.150 178.480 176.300 0.051 0.000 1.101 263 R CA 1.577 57.714 56.100 0.062 0.000 0.979 263 R CB -0.292 30.036 30.300 0.047 0.000 0.877 263 R HN 0.600 nan 8.270 nan 0.000 0.441 264 Q N -0.866 118.958 119.800 0.041 0.000 2.297 264 Q HA 0.188 4.528 4.340 -0.000 0.000 0.203 264 Q C 0.146 176.165 176.000 0.032 0.000 0.931 264 Q CA 0.565 56.388 55.803 0.033 0.000 0.885 264 Q CB 0.621 29.375 28.738 0.027 0.000 0.991 264 Q HN -0.030 nan 8.270 nan 0.000 0.498 265 R N 0.839 121.356 120.500 0.029 0.000 2.782 265 R HA 0.188 4.528 4.340 -0.000 0.000 0.293 265 R C -2.202 174.118 176.300 0.033 0.000 1.333 265 R CA -1.396 54.718 56.100 0.023 0.000 1.479 265 R CB 0.595 30.897 30.300 0.003 0.000 1.306 265 R HN 0.141 nan 8.270 nan 0.000 0.654 266 P HA -0.139 nan 4.420 nan 0.000 0.218 266 P C 1.334 178.746 177.300 0.187 0.000 1.148 266 P CA 1.252 64.485 63.100 0.222 0.000 0.822 266 P CB 0.315 32.156 31.700 0.235 0.000 0.784 267 G N 0.591 109.449 108.800 0.098 0.000 2.418 267 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 267 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 267 G C 1.519 176.443 174.900 0.040 0.000 1.158 267 G CA 0.615 45.758 45.100 0.073 0.000 0.771 267 G HN 0.259 nan 8.290 nan 0.000 0.545 268 L N 0.943 122.170 121.223 0.007 0.000 2.027 268 L HA 0.039 4.379 4.340 -0.000 0.000 0.206 268 L C 2.847 179.669 176.870 -0.082 0.000 1.074 268 L CA 1.454 56.279 54.840 -0.024 0.000 0.745 268 L CB -0.605 41.438 42.059 -0.027 0.000 0.898 268 L HN 0.068 nan 8.230 nan 0.000 0.433 269 V N -0.325 119.483 119.914 -0.176 0.000 2.407 269 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 269 V C 2.623 178.518 176.094 -0.333 0.000 1.055 269 V CA 1.751 63.796 62.300 -0.425 0.000 1.049 269 V CB -0.737 30.542 31.823 -0.906 0.000 0.662 269 V HN 0.556 nan 8.190 nan 0.000 0.455 270 Q N 0.413 120.182 119.800 -0.052 0.000 2.079 270 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 270 Q C 2.314 178.352 176.000 0.062 0.000 0.974 270 Q CA 1.708 57.593 55.803 0.137 0.000 0.840 270 Q CB -0.285 28.585 28.738 0.220 0.000 0.898 270 Q HN 0.516 nan 8.270 nan 0.000 0.430 271 R N -0.604 119.916 120.500 0.034 0.000 2.096 271 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 271 R C 2.173 178.501 176.300 0.048 0.000 1.127 271 R CA 1.186 57.310 56.100 0.040 0.000 0.968 271 R CB -0.434 29.883 30.300 0.029 0.000 0.861 271 R HN 0.280 nan 8.270 nan 0.000 0.440 272 L N 0.583 121.818 121.223 0.019 0.000 2.017 272 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 272 L C 2.027 179.014 176.870 0.195 0.000 1.073 272 L CA 1.645 56.531 54.840 0.077 0.000 0.745 272 L CB -0.350 41.707 42.059 -0.004 0.000 0.894 272 L HN -0.111 nan 8.230 nan 0.000 0.432 273 V N -0.117 119.858 119.914 0.102 0.000 2.427 273 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 273 V C 2.262 178.466 176.094 0.185 0.000 1.051 273 V CA 1.789 64.214 62.300 0.209 0.000 1.048 273 V CB -0.861 30.999 31.823 0.062 0.000 0.666 273 V HN 0.441 nan 8.190 nan 0.000 0.456 274 D N 0.670 121.139 120.400 0.116 0.000 2.117 274 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 274 D C 2.240 178.572 176.300 0.053 0.000 0.987 274 D CA 1.695 55.745 54.000 0.082 0.000 0.829 274 D CB -0.322 40.522 40.800 0.072 0.000 0.961 274 D HN 0.441 nan 8.370 nan 0.000 0.460 275 A N 0.927 123.789 122.820 0.070 0.000 1.902 275 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 275 A C 2.301 179.841 177.584 -0.073 0.000 1.181 275 A CA 2.139 54.198 52.037 0.037 0.000 0.623 275 A CB -0.638 18.415 19.000 0.089 0.000 0.818 275 A HN 0.237 nan 8.150 nan 0.000 0.443 276 A N -0.656 122.171 122.820 0.011 0.000 1.930 276 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 276 A C 2.204 179.732 177.584 -0.093 0.000 1.175 276 A CA 1.661 53.653 52.037 -0.075 0.000 0.627 276 A CB -0.787 18.168 19.000 -0.075 0.000 0.815 276 A HN 0.358 nan 8.150 nan 0.000 0.443 277 V N 0.598 120.502 119.914 -0.017 0.000 2.358 277 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 277 V C 2.093 178.116 176.094 -0.119 0.000 1.047 277 V CA 2.217 64.502 62.300 -0.024 0.000 1.035 277 V CB -0.735 31.107 31.823 0.032 0.000 0.658 277 V HN 0.484 nan 8.190 nan 0.000 0.452 278 D N 0.492 120.767 120.400 -0.207 0.000 2.144 278 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 278 D C 2.210 178.071 176.300 -0.731 0.000 0.978 278 D CA 1.571 55.359 54.000 -0.353 0.000 0.833 278 D CB -0.248 40.370 40.800 -0.305 0.000 0.961 278 D HN 0.442 nan 8.370 nan 0.000 0.470 279 A N 0.718 122.974 122.820 -0.939 0.000 1.930 279 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 279 A C 2.358 179.841 177.584 -0.170 0.000 1.175 279 A CA 1.883 53.418 52.037 -0.835 0.000 0.627 279 A CB -0.924 17.773 19.000 -0.506 0.000 0.815 279 A HN 0.298 nan 8.150 nan 0.000 0.443 280 G N -0.247 108.468 108.800 -0.141 0.000 2.408 280 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 280 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 280 G C 1.531 176.427 174.900 -0.007 0.000 1.150 280 G CA 0.975 46.051 45.100 -0.039 0.000 0.776 280 G HN 0.431 nan 8.290 nan 0.000 0.542 281 L N -1.362 119.852 121.223 -0.014 0.000 2.072 281 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 281 L C 2.582 179.510 176.870 0.097 0.000 1.079 281 L CA 1.014 55.870 54.840 0.027 0.000 0.752 281 L CB -0.395 41.679 42.059 0.026 0.000 0.906 281 L HN 0.445 nan 8.230 nan 0.000 0.436 282 W N 1.174 122.429 121.300 -0.075 0.000 2.342 282 W HA -0.235 4.424 4.660 -0.000 0.000 0.297 282 W C 2.474 179.056 176.519 0.106 0.000 1.213 282 W CA 1.687 59.056 57.345 0.039 0.000 1.251 282 W CB -0.110 29.377 29.460 0.044 0.000 1.136 282 W HN 0.109 nan 8.180 nan 0.000 0.526 283 A N 0.941 123.823 122.820 0.103 0.000 1.978 283 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 283 A C 1.967 179.420 177.584 -0.218 0.000 1.170 283 A CA 1.900 53.864 52.037 -0.121 0.000 0.636 283 A CB -0.798 18.213 19.000 0.019 0.000 0.810 283 A HN 0.464 nan 8.150 nan 0.000 0.448 284 R N -0.374 120.043 120.500 -0.139 0.000 2.159 284 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 284 R C 0.475 176.660 176.300 -0.191 0.000 1.131 284 R CA 1.404 57.415 56.100 -0.149 0.000 0.982 284 R CB -0.202 30.045 30.300 -0.087 0.000 0.868 284 R HN 0.482 nan 8.270 nan 0.000 0.453 285 D N -1.107 119.162 120.400 -0.219 0.000 2.398 285 D HA 0.044 4.684 4.640 -0.000 0.000 0.210 285 D C -0.212 175.677 176.300 -0.684 0.000 1.094 285 D CA 0.463 54.255 54.000 -0.346 0.000 0.839 285 D CB 0.575 41.207 40.800 -0.280 0.000 0.963 285 D HN 0.306 nan 8.370 nan 0.000 0.506 286 H N -0.685 118.036 119.070 -0.580 0.000 2.716 286 H HA 0.275 4.831 4.556 -0.000 0.000 0.230 286 H C 1.212 176.277 175.328 -0.438 0.000 1.401 286 H CA -0.312 55.367 56.048 -0.615 0.000 1.168 286 H CB 0.585 29.616 29.762 -1.218 0.000 1.935 286 H HN -0.236 nan 8.280 nan 0.000 0.538 287 S N 0.258 115.802 115.700 -0.261 0.000 2.365 287 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 287 S C 1.492 176.013 174.600 -0.132 0.000 1.039 287 S CA 1.798 59.860 58.200 -0.229 0.000 1.033 287 S CB 0.055 63.121 63.200 -0.223 0.000 0.887 287 S HN 0.550 nan 8.310 nan 0.000 0.447 288 D N 1.510 121.858 120.400 -0.088 0.000 2.117 288 D HA 0.004 4.644 4.640 -0.000 0.000 0.197 288 D C 2.141 178.466 176.300 0.042 0.000 0.987 288 D CA 1.240 55.229 54.000 -0.018 0.000 0.829 288 D CB -0.527 40.263 40.800 -0.018 0.000 0.961 288 D HN 0.387 nan 8.370 nan 0.000 0.460 289 A N 0.400 123.254 122.820 0.056 0.000 1.902 289 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 289 A C 2.478 180.184 177.584 0.203 0.000 1.181 289 A CA 1.212 53.340 52.037 0.152 0.000 0.623 289 A CB -0.687 18.458 19.000 0.242 0.000 0.818 289 A HN 0.155 nan 8.150 nan 0.000 0.443 290 V N -0.429 119.585 119.914 0.166 0.000 2.427 290 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 290 V C 2.712 179.039 176.094 0.388 0.000 1.051 290 V CA 2.380 64.848 62.300 0.280 0.000 1.048 290 V CB -1.192 30.707 31.823 0.126 0.000 0.666 290 V HN 0.592 nan 8.190 nan 0.000 0.456 291 T N -0.179 114.522 114.554 0.246 0.000 2.708 291 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 291 T C 2.163 177.005 174.700 0.238 0.000 1.037 291 T CA 1.899 64.173 62.100 0.290 0.000 1.146 291 T CB -0.248 68.718 68.868 0.164 0.000 0.865 291 T HN 0.499 nan 8.240 nan 0.000 0.435 292 S N 1.907 117.712 115.700 0.175 0.000 2.368 292 S HA -0.090 4.380 4.470 -0.000 0.000 0.225 292 S C 2.109 176.796 174.600 0.144 0.000 1.030 292 S CA 1.368 59.648 58.200 0.134 0.000 0.999 292 S CB -0.486 62.778 63.200 0.107 0.000 0.844 292 S HN 0.585 nan 8.310 nan 0.000 0.459 293 L N -0.087 121.242 121.223 0.178 0.000 2.156 293 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 293 L C 1.890 178.807 176.870 0.079 0.000 1.095 293 L CA 1.784 56.693 54.840 0.114 0.000 0.770 293 L CB -1.179 40.940 42.059 0.099 0.000 0.914 293 L HN 0.109 nan 8.230 nan 0.000 0.439 294 H N 0.614 119.761 119.070 0.128 0.000 2.363 294 H HA 0.173 4.729 4.556 -0.000 0.000 0.301 294 H C 2.380 177.743 175.328 0.059 0.000 1.074 294 H CA 1.518 57.634 56.048 0.114 0.000 1.354 294 H CB -0.213 29.658 29.762 0.182 0.000 1.397 294 H HN 0.488 nan 8.280 nan 0.000 0.516 295 A N 0.810 123.728 122.820 0.164 0.000 1.908 295 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 295 A C 2.496 180.117 177.584 0.061 0.000 1.181 295 A CA 1.736 53.813 52.037 0.068 0.000 0.627 295 A CB -1.085 17.945 19.000 0.050 0.000 0.818 295 A HN 0.474 nan 8.150 nan 0.000 0.445 296 A N -0.031 122.830 122.820 0.067 0.000 1.898 296 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 296 A C 2.066 179.681 177.584 0.052 0.000 1.181 296 A CA 1.623 53.692 52.037 0.053 0.000 0.620 296 A CB -0.712 18.317 19.000 0.050 0.000 0.819 296 A HN 0.671 nan 8.150 nan 0.000 0.442 297 N N 0.041 118.772 118.700 0.051 0.000 2.223 297 N HA -0.083 4.657 4.740 -0.000 0.000 0.185 297 N C 1.430 176.984 175.510 0.073 0.000 1.016 297 N CA 1.355 54.435 53.050 0.051 0.000 0.863 297 N CB -0.098 38.404 38.487 0.024 0.000 0.983 297 N HN 0.513 nan 8.380 nan 0.000 0.429 298 L N -0.648 120.626 121.223 0.085 0.000 2.585 298 L HA 0.258 4.598 4.340 -0.000 0.000 0.226 298 L C 1.075 178.028 176.870 0.137 0.000 1.113 298 L CA 0.324 55.236 54.840 0.121 0.000 0.876 298 L CB 0.091 42.197 42.059 0.077 0.000 1.072 298 L HN 0.172 nan 8.230 nan 0.000 0.468 299 G N 1.736 110.590 108.800 0.090 0.000 2.256 299 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.272 299 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.272 299 G C -0.022 174.924 174.900 0.077 0.000 1.076 299 G CA 0.327 45.475 45.100 0.080 0.000 0.882 299 G HN 0.281 nan 8.290 nan 0.000 0.497 300 V N -3.106 116.838 119.914 0.050 0.000 3.141 300 V HA 0.968 5.088 4.120 -0.000 0.000 0.312 300 V C 0.706 176.797 176.094 -0.005 0.000 1.157 300 V CA -0.223 62.092 62.300 0.023 0.000 1.041 300 V CB 1.535 33.351 31.823 -0.011 0.000 1.071 300 V HN 1.524 nan 8.190 nan 0.000 0.441 301 S N 0.140 115.828 115.700 -0.020 0.000 2.585 301 S HA 0.182 4.652 4.470 -0.000 0.000 0.273 301 S C 1.331 175.909 174.600 -0.037 0.000 1.339 301 S CA 0.369 58.556 58.200 -0.022 0.000 1.028 301 S CB 0.907 64.093 63.200 -0.024 0.000 0.906 301 S HN 1.679 nan 8.310 nan 0.000 0.528 302 T N -0.603 113.941 114.554 -0.016 0.000 2.867 302 T HA 0.023 4.373 4.350 -0.000 0.000 0.268 302 T C 1.943 176.625 174.700 -0.029 0.000 1.057 302 T CA 1.077 63.172 62.100 -0.008 0.000 1.136 302 T CB -1.281 67.597 68.868 0.016 0.000 0.874 302 T HN 0.838 nan 8.240 nan 0.000 0.466 303 G N 1.091 109.871 108.800 -0.034 0.000 2.422 303 G HA2 0.132 4.092 3.960 -0.000 0.000 0.218 303 G HA3 0.132 4.092 3.960 -0.000 0.000 0.218 303 G C 1.862 176.714 174.900 -0.080 0.000 1.140 303 G CA 0.610 45.686 45.100 -0.040 0.000 0.775 303 G HN 0.732 nan 8.290 nan 0.000 0.545 304 A N 0.171 122.926 122.820 -0.109 0.000 2.015 304 A HA 0.158 4.477 4.320 -0.000 0.000 0.219 304 A C 2.540 179.935 177.584 -0.315 0.000 1.163 304 A CA 1.493 53.425 52.037 -0.174 0.000 0.646 304 A CB -0.360 18.546 19.000 -0.156 0.000 0.806 304 A HN 0.226 nan 8.150 nan 0.000 0.448 305 V N -0.103 119.616 119.914 -0.326 0.000 2.295 305 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 305 V C 2.823 178.631 176.094 -0.477 0.000 1.049 305 V CA 2.028 63.991 62.300 -0.562 0.000 1.024 305 V CB -1.405 30.237 31.823 -0.301 0.000 0.648 305 V HN 0.587 nan 8.190 nan 0.000 0.447 306 G N -1.210 107.501 108.800 -0.149 0.000 2.422 306 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 306 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 306 G C 1.509 176.370 174.900 -0.065 0.000 1.146 306 G CA 0.739 45.837 45.100 -0.003 0.000 0.769 306 G HN 0.558 nan 8.290 nan 0.000 0.547 307 Q N -0.176 119.550 119.800 -0.123 0.000 2.083 307 Q HA 0.025 4.365 4.340 -0.000 0.000 0.198 307 Q C 2.835 178.748 176.000 -0.144 0.000 0.969 307 Q CA 1.023 56.768 55.803 -0.095 0.000 0.838 307 Q CB -0.256 28.434 28.738 -0.080 0.000 0.900 307 Q HN 0.449 nan 8.270 nan 0.000 0.436 308 G N -0.423 108.183 108.800 -0.323 0.000 2.421 308 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 308 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 308 G C 0.789 175.556 174.900 -0.222 0.000 1.143 308 G CA 0.382 45.239 45.100 -0.404 0.000 0.784 308 G HN 0.212 nan 8.290 nan 0.000 0.541 309 F N 0.482 120.234 119.950 -0.330 0.000 2.704 309 F HA 0.440 4.967 4.527 -0.000 0.000 0.304 309 F C 1.291 177.006 175.800 -0.143 0.000 1.094 309 F CA -0.556 57.218 58.000 -0.377 0.000 1.275 309 F CB 0.131 38.609 39.000 -0.870 0.000 1.073 309 F HN 0.277 nan 8.300 nan 0.000 0.586 310 G N 0.351 109.217 108.800 0.111 0.000 2.911 310 G HA2 0.204 4.164 3.960 -0.000 0.000 0.686 310 G HA3 0.204 4.164 3.960 -0.000 0.000 0.686 310 G C 0.758 175.777 174.900 0.199 0.000 1.136 310 G CA -0.479 44.700 45.100 0.131 0.000 0.764 310 G HN 0.411 nan 8.290 nan 0.000 0.626 311 A N 1.112 123.999 122.820 0.112 0.000 1.940 311 A HA -0.039 4.281 4.320 -0.000 0.000 0.221 311 A C 1.745 179.364 177.584 0.059 0.000 1.190 311 A CA 2.643 54.730 52.037 0.082 0.000 0.647 311 A CB -0.263 18.756 19.000 0.032 0.000 0.821 311 A HN 1.722 nan 8.150 nan 0.000 0.457 312 D N -1.034 119.390 120.400 0.040 0.000 2.892 312 D HA 0.162 4.802 4.640 -0.000 0.000 0.291 312 D C 0.692 176.953 176.300 -0.066 0.000 1.341 312 D CA -0.265 53.700 54.000 -0.058 0.000 0.844 312 D CB -0.823 39.943 40.800 -0.057 0.000 1.093 312 D HN 0.506 nan 8.370 nan 0.000 0.480 313 F N 0.780 120.705 119.950 -0.042 0.000 2.333 313 F HA -0.049 4.478 4.527 -0.000 0.000 0.300 313 F C 1.612 177.357 175.800 -0.092 0.000 1.083 313 F CA 0.658 58.618 58.000 -0.066 0.000 1.395 313 F CB -0.457 38.508 39.000 -0.058 0.000 1.056 313 F HN -0.115 nan 8.300 nan 0.000 0.529 314 Q N 0.406 119.647 119.800 -0.932 0.000 2.437 314 Q HA -0.092 4.248 4.340 -0.000 0.000 0.210 314 Q C 1.656 177.477 176.000 -0.298 0.000 0.972 314 Q CA 0.962 56.346 55.803 -0.698 0.000 0.903 314 Q CB -0.392 27.919 28.738 -0.711 0.000 0.967 314 Q HN 0.502 nan 8.270 nan 0.000 0.486 315 Q N -0.282 119.392 119.800 -0.211 0.000 2.392 315 Q HA 0.110 4.450 4.340 -0.000 0.000 0.203 315 Q C 0.360 176.319 176.000 -0.067 0.000 0.917 315 Q CA 0.455 56.187 55.803 -0.118 0.000 0.939 315 Q CB 0.670 29.351 28.738 -0.095 0.000 1.063 315 Q HN 0.315 nan 8.270 nan 0.000 0.516 316 R N 0.244 120.712 120.500 -0.053 0.000 2.816 316 R HA 0.339 4.679 4.340 -0.000 0.000 0.382 316 R C 0.853 177.146 176.300 -0.010 0.000 1.140 316 R CA -0.058 56.032 56.100 -0.016 0.000 1.050 316 R CB 0.421 30.724 30.300 0.004 0.000 1.396 316 R HN 0.043 nan 8.270 nan 0.000 0.583 317 L N 0.194 121.403 121.223 -0.023 0.000 2.585 317 L HA 0.191 4.531 4.340 -0.000 0.000 0.226 317 L C 0.316 177.181 176.870 -0.009 0.000 1.113 317 L CA 0.105 54.929 54.840 -0.025 0.000 0.876 317 L CB 0.776 42.821 42.059 -0.024 0.000 1.072 317 L HN -0.015 nan 8.230 nan 0.000 0.468 318 V N 1.992 121.911 119.914 0.007 0.000 2.479 318 V HA 0.110 4.230 4.120 -0.000 0.000 0.281 318 V C -1.832 174.305 176.094 0.072 0.000 1.031 318 V CA -1.278 61.040 62.300 0.030 0.000 1.038 318 V CB 0.281 32.118 31.823 0.024 0.000 0.981 318 V HN 0.046 nan 8.190 nan 0.000 0.478 319 P HA 0.207 nan 4.420 nan 0.000 0.267 319 P C -0.417 176.958 177.300 0.125 0.000 1.201 319 P CA 0.128 63.342 63.100 0.189 0.000 0.775 319 P CB 0.497 32.371 31.700 0.290 0.000 0.854 320 R N 1.592 122.157 120.500 0.108 0.000 2.807 320 R HA 0.617 4.957 4.340 -0.000 0.000 0.276 320 R C -0.068 176.258 176.300 0.043 0.000 0.979 320 R CA -0.775 55.364 56.100 0.064 0.000 0.928 320 R CB 1.520 31.846 30.300 0.044 0.000 1.191 320 R HN 0.381 nan 8.270 nan 0.000 0.471 321 L N 1.302 122.543 121.223 0.029 0.000 3.510 321 L HA 0.165 4.505 4.340 -0.000 0.000 0.324 321 L C -0.639 176.247 176.870 0.027 0.000 1.307 321 L CA -0.206 54.642 54.840 0.015 0.000 1.011 321 L CB 0.456 42.517 42.059 0.003 0.000 1.422 321 L HN 0.754 nan 8.230 nan 0.000 0.617 322 D N -2.375 118.040 120.400 0.025 0.000 2.371 322 D HA -0.053 4.587 4.640 -0.000 0.000 0.242 322 D C 1.642 177.956 176.300 0.025 0.000 1.218 322 D CA -0.292 53.736 54.000 0.047 0.000 0.945 322 D CB 0.482 41.294 40.800 0.021 0.000 1.137 322 D HN 0.170 nan 8.370 nan 0.000 0.464 323 H N 0.002 119.086 119.070 0.023 0.000 2.387 323 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 323 H C 0.570 175.917 175.328 0.031 0.000 1.099 323 H CA 1.668 57.732 56.048 0.026 0.000 1.315 323 H CB -0.399 29.376 29.762 0.022 0.000 1.380 323 H HN 0.452 nan 8.280 nan 0.000 0.513 324 D N 1.390 121.359 120.400 -0.717 0.000 2.144 324 D HA -0.007 4.633 4.640 -0.000 0.000 0.200 324 D C 2.405 178.618 176.300 -0.145 0.000 0.978 324 D CA 1.446 55.206 54.000 -0.399 0.000 0.833 324 D CB -0.260 40.284 40.800 -0.426 0.000 0.961 324 D HN 0.548 nan 8.370 nan 0.000 0.470 325 A N 0.845 123.600 122.820 -0.109 0.000 1.898 325 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 325 A C 2.390 179.981 177.584 0.013 0.000 1.181 325 A CA 0.749 52.772 52.037 -0.023 0.000 0.620 325 A CB -0.723 18.274 19.000 -0.004 0.000 0.819 325 A HN 0.172 nan 8.150 nan 0.000 0.442 326 L N -0.807 120.425 121.223 0.016 0.000 2.141 326 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 326 L C 3.018 179.927 176.870 0.064 0.000 1.094 326 L CA 0.898 55.769 54.840 0.051 0.000 0.763 326 L CB -0.429 41.667 42.059 0.062 0.000 0.908 326 L HN 0.442 nan 8.230 nan 0.000 0.437 327 A N -0.189 122.660 122.820 0.047 0.000 1.969 327 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 327 A C 2.171 179.789 177.584 0.056 0.000 1.169 327 A CA 1.316 53.386 52.037 0.056 0.000 0.635 327 A CB -0.483 18.546 19.000 0.048 0.000 0.810 327 A HN 0.321 nan 8.150 nan 0.000 0.445 328 L N -0.763 120.488 121.223 0.046 0.000 2.056 328 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 328 L C 2.176 179.102 176.870 0.094 0.000 1.078 328 L CA 1.870 56.743 54.840 0.055 0.000 0.749 328 L CB -0.622 41.464 42.059 0.045 0.000 0.901 328 L HN 0.328 nan 8.230 nan 0.000 0.433 329 L N -0.253 121.036 121.223 0.111 0.000 2.046 329 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 329 L C 2.443 179.404 176.870 0.152 0.000 1.077 329 L CA 1.991 56.923 54.840 0.153 0.000 0.747 329 L CB -0.853 41.300 42.059 0.156 0.000 0.896 329 L HN 0.442 nan 8.230 nan 0.000 0.432 330 E N -0.206 120.068 120.200 0.123 0.000 2.110 330 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 330 E C 2.437 179.103 176.600 0.110 0.000 0.988 330 E CA 1.351 57.818 56.400 0.112 0.000 0.804 330 E CB -0.230 29.526 29.700 0.092 0.000 0.745 330 E HN 0.450 nan 8.360 nan 0.000 0.458 331 R N -0.684 119.878 120.500 0.104 0.000 2.091 331 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 331 R C 2.004 178.391 176.300 0.145 0.000 1.136 331 R CA 1.998 58.161 56.100 0.105 0.000 0.959 331 R CB -0.446 29.898 30.300 0.073 0.000 0.856 331 R HN 0.203 nan 8.270 nan 0.000 0.437 332 T N 0.519 115.171 114.554 0.164 0.000 2.746 332 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 332 T C 1.681 176.516 174.700 0.225 0.000 1.039 332 T CA 1.553 63.789 62.100 0.227 0.000 1.142 332 T CB -0.217 68.829 68.868 0.297 0.000 0.866 332 T HN 0.415 nan 8.240 nan 0.000 0.444 333 Q N 0.417 120.321 119.800 0.173 0.000 2.135 333 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 333 Q C 2.312 178.380 176.000 0.114 0.000 0.981 333 Q CA 1.249 57.130 55.803 0.130 0.000 0.856 333 Q CB -0.051 28.748 28.738 0.102 0.000 0.902 333 Q HN 0.342 nan 8.270 nan 0.000 0.425 334 Q N -0.484 119.388 119.800 0.119 0.000 2.167 334 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 334 Q C 1.776 177.830 176.000 0.091 0.000 0.970 334 Q CA 1.069 56.924 55.803 0.087 0.000 0.855 334 Q CB -0.342 28.445 28.738 0.082 0.000 0.911 334 Q HN 0.459 nan 8.270 nan 0.000 0.438 335 F N 0.991 120.956 119.950 0.025 0.000 2.171 335 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 335 F C 1.899 177.688 175.800 -0.019 0.000 1.090 335 F CA 0.937 58.941 58.000 0.008 0.000 1.293 335 F CB -0.050 38.967 39.000 0.028 0.000 1.013 335 F HN -0.028 nan 8.300 nan 0.000 0.486 336 L N -0.405 120.909 121.223 0.151 0.000 2.056 336 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 336 L C 2.437 179.264 176.870 -0.071 0.000 1.078 336 L CA 1.145 56.005 54.840 0.035 0.000 0.749 336 L CB -0.835 41.268 42.059 0.073 0.000 0.901 336 L HN 0.211 nan 8.230 nan 0.000 0.433 337 L N -0.806 120.390 121.223 -0.044 0.000 2.027 337 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 337 L C 2.665 179.471 176.870 -0.107 0.000 1.074 337 L CA 1.522 56.328 54.840 -0.057 0.000 0.745 337 L CB -0.821 41.223 42.059 -0.025 0.000 0.898 337 L HN 0.219 nan 8.230 nan 0.000 0.433 338 T N -0.438 114.029 114.554 -0.145 0.000 2.759 338 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 338 T C 1.428 175.982 174.700 -0.243 0.000 1.042 338 T CA 1.288 63.277 62.100 -0.184 0.000 1.140 338 T CB -0.225 68.512 68.868 -0.218 0.000 0.864 338 T HN 0.300 nan 8.240 nan 0.000 0.455 339 N N 1.416 119.909 118.700 -0.346 0.000 2.313 339 N HA 0.053 4.793 4.740 -0.000 0.000 0.207 339 N C 0.257 175.614 175.510 -0.254 0.000 1.141 339 N CA 0.010 52.852 53.050 -0.346 0.000 0.830 339 N CB 0.084 38.257 38.487 -0.522 0.000 1.008 339 N HN 0.218 nan 8.380 nan 0.000 0.481 340 N N 0.347 118.936 118.700 -0.186 0.000 2.741 340 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 340 N C 0.606 176.022 175.510 -0.156 0.000 1.112 340 N CA 0.323 53.292 53.050 -0.135 0.000 0.750 340 N CB -1.342 37.073 38.487 -0.121 0.000 1.119 340 N HN 0.345 nan 8.380 nan 0.000 0.561 341 L N -0.931 120.180 121.223 -0.188 0.000 2.418 341 L HA 0.182 4.522 4.340 -0.000 0.000 0.218 341 L C 0.940 177.862 176.870 0.087 0.000 1.125 341 L CA 0.757 55.487 54.840 -0.183 0.000 0.835 341 L CB 0.126 42.066 42.059 -0.199 0.000 0.953 341 L HN 0.095 nan 8.230 nan 0.000 0.454 342 L N -1.295 119.944 121.223 0.026 0.000 2.388 342 L HA 0.264 4.604 4.340 -0.000 0.000 0.264 342 L C 0.254 177.132 176.870 0.013 0.000 0.998 342 L CA -0.321 54.538 54.840 0.033 0.000 0.817 342 L CB 2.529 44.591 42.059 0.006 0.000 1.338 342 L HN -0.076 nan 8.230 nan 0.000 0.414 343 Q N 0.081 119.888 119.800 0.012 0.000 2.390 343 Q HA 0.203 4.543 4.340 -0.000 0.000 0.216 343 Q C -0.412 175.582 176.000 -0.009 0.000 0.916 343 Q CA 0.323 56.127 55.803 0.001 0.000 0.911 343 Q CB 1.166 29.908 28.738 0.007 0.000 1.035 343 Q HN 0.409 nan 8.270 nan 0.000 0.541 344 E N 1.168 121.360 120.200 -0.014 0.000 2.272 344 E HA 0.339 4.689 4.350 -0.000 0.000 0.269 344 E C -2.525 174.059 176.600 -0.027 0.000 0.877 344 E CA -2.046 54.343 56.400 -0.019 0.000 0.755 344 E CB 2.134 31.821 29.700 -0.021 0.000 1.192 344 E HN 0.005 nan 8.360 nan 0.000 0.422 345 P HA 0.190 nan 4.420 nan 0.000 0.276 345 P C -0.151 177.121 177.300 -0.046 0.000 1.244 345 P CA -0.475 62.611 63.100 -0.024 0.000 0.801 345 P CB 0.889 32.588 31.700 -0.001 0.000 1.006 346 V N 1.325 121.196 119.914 -0.070 0.000 2.546 346 V HA 0.293 4.413 4.120 -0.000 0.000 0.284 346 V C 0.977 177.056 176.094 -0.025 0.000 1.050 346 V CA -0.431 61.797 62.300 -0.121 0.000 0.981 346 V CB 0.659 32.318 31.823 -0.272 0.000 0.990 346 V HN 0.722 nan 8.190 nan 0.000 0.474 347 A N 5.567 128.384 122.820 -0.006 0.000 2.539 347 A HA 0.412 4.732 4.320 -0.000 0.000 0.306 347 A C 1.132 178.794 177.584 0.129 0.000 1.392 347 A CA -0.303 51.764 52.037 0.051 0.000 1.060 347 A CB -0.318 18.706 19.000 0.039 0.000 1.134 347 A HN 0.920 nan 8.150 nan 0.000 0.542 348 L N 0.977 122.299 121.223 0.164 0.000 2.081 348 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 348 L C 1.599 178.583 176.870 0.191 0.000 1.080 348 L CA 1.347 56.339 54.840 0.253 0.000 0.754 348 L CB -0.436 41.746 42.059 0.205 0.000 0.893 348 L HN 0.576 nan 8.230 nan 0.000 0.433 349 D N -0.262 120.211 120.400 0.122 0.000 2.178 349 D HA -0.170 4.470 4.640 -0.000 0.000 0.202 349 D C 2.275 178.628 176.300 0.089 0.000 0.974 349 D CA 1.121 55.172 54.000 0.085 0.000 0.841 349 D CB -0.018 40.819 40.800 0.061 0.000 0.953 349 D HN 0.501 nan 8.370 nan 0.000 0.478 350 Q N -0.890 118.978 119.800 0.114 0.000 2.163 350 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 350 Q C 1.926 178.034 176.000 0.180 0.000 0.954 350 Q CA 0.429 56.298 55.803 0.111 0.000 0.851 350 Q CB 0.021 28.811 28.738 0.087 0.000 0.928 350 Q HN 0.290 nan 8.270 nan 0.000 0.459 351 W N 1.787 123.081 121.300 -0.010 0.000 2.381 351 W HA 0.088 4.748 4.660 -0.000 0.000 0.301 351 W C 0.487 176.992 176.519 -0.024 0.000 1.205 351 W CA 0.734 58.065 57.345 -0.022 0.000 1.285 351 W CB -0.501 28.942 29.460 -0.028 0.000 1.133 351 W HN -0.055 nan 8.180 nan 0.000 0.521 352 A N 0.701 123.536 122.820 0.025 0.000 2.445 352 A HA 0.472 4.792 4.320 -0.000 0.000 0.242 352 A C -0.030 177.521 177.584 -0.055 0.000 1.075 352 A CA 0.347 52.307 52.037 -0.128 0.000 0.777 352 A CB -0.009 18.944 19.000 -0.078 0.000 1.013 352 A HN 0.624 nan 8.150 nan 0.000 0.493 353 A N 3.620 126.401 122.820 -0.066 0.000 3.105 353 A HA 0.604 4.923 4.320 -0.000 0.000 0.336 353 A C -1.475 176.122 177.584 0.022 0.000 1.042 353 A CA -1.033 51.015 52.037 0.019 0.000 0.851 353 A CB 0.414 19.500 19.000 0.144 0.000 1.068 353 A HN 0.606 nan 8.150 nan 0.000 0.477 354 P HA -0.208 nan 4.420 nan 0.000 0.225 354 P C 1.114 178.372 177.300 -0.070 0.000 1.148 354 P CA 1.166 64.246 63.100 -0.033 0.000 0.779 354 P CB 0.269 31.952 31.700 -0.029 0.000 0.780 355 E N 0.221 120.312 120.200 -0.182 0.000 2.118 355 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 355 E C 1.738 178.151 176.600 -0.311 0.000 0.992 355 E CA 1.175 57.393 56.400 -0.303 0.000 0.804 355 E CB -1.364 28.045 29.700 -0.485 0.000 0.741 355 E HN 0.226 nan 8.360 nan 0.000 0.458 356 F N 1.083 120.992 119.950 -0.067 0.000 2.084 356 F HA -0.071 4.456 4.527 -0.000 0.000 0.296 356 F C 2.501 178.276 175.800 -0.042 0.000 1.111 356 F CA 0.999 58.958 58.000 -0.068 0.000 1.224 356 F CB -0.758 38.170 39.000 -0.120 0.000 0.991 356 F HN 0.043 nan 8.300 nan 0.000 0.471 357 L N 0.593 121.901 121.223 0.142 0.000 2.141 357 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 357 L C 2.005 178.908 176.870 0.056 0.000 1.094 357 L CA 1.626 56.524 54.840 0.097 0.000 0.763 357 L CB -1.104 41.003 42.059 0.080 0.000 0.908 357 L HN 0.114 nan 8.230 nan 0.000 0.437 358 N N -0.466 118.247 118.700 0.021 0.000 2.120 358 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 358 N C 1.611 177.122 175.510 0.003 0.000 1.024 358 N CA 1.613 54.665 53.050 0.002 0.000 0.852 358 N CB -0.152 38.320 38.487 -0.026 0.000 1.003 358 N HN 0.356 nan 8.380 nan 0.000 0.424 359 N N -0.240 118.456 118.700 -0.006 0.000 2.188 359 N HA -0.060 4.680 4.740 -0.000 0.000 0.184 359 N C 1.602 177.130 175.510 0.029 0.000 1.018 359 N CA 0.944 53.995 53.050 0.001 0.000 0.858 359 N CB -0.430 38.050 38.487 -0.012 0.000 0.989 359 N HN 0.213 nan 8.380 nan 0.000 0.426 360 S N 1.190 116.921 115.700 0.053 0.000 2.368 360 S HA 0.038 4.508 4.470 -0.000 0.000 0.225 360 S C 1.992 176.619 174.600 0.045 0.000 1.030 360 S CA 0.635 58.870 58.200 0.059 0.000 0.999 360 S CB -0.151 63.098 63.200 0.082 0.000 0.844 360 S HN 0.273 nan 8.310 nan 0.000 0.459 361 L N 1.433 122.680 121.223 0.040 0.000 2.552 361 L HA 0.087 4.427 4.340 -0.000 0.000 0.227 361 L C 1.329 178.214 176.870 0.025 0.000 1.146 361 L CA 0.474 55.333 54.840 0.033 0.000 0.858 361 L CB -0.363 41.716 42.059 0.033 0.000 0.969 361 L HN 0.245 nan 8.230 nan 0.000 0.451 362 N N -0.095 118.618 118.700 0.021 0.000 2.236 362 N HA 0.089 4.829 4.740 -0.000 0.000 0.196 362 N C 0.658 176.178 175.510 0.017 0.000 1.114 362 N CA 0.022 53.081 53.050 0.015 0.000 0.859 362 N CB 0.440 38.932 38.487 0.008 0.000 0.982 362 N HN 0.304 nan 8.380 nan 0.000 0.493 363 R N 0.000 120.514 120.500 0.023 0.000 2.786 363 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 363 R CA 0.000 56.115 56.100 0.024 0.000 0.921 363 R CB 0.000 30.319 30.300 0.031 0.000 0.687 363 R HN 0.000 nan 8.270 nan 0.000 0.535