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 2owy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MWFRNLLVYR LTQDLQLDAD SLEKALGEKS ARPCASQELT TYGFTAPFGK DATA SEQUENCE GPDAPLVHVS QDFFLISARK EERILPGSVV RDALKEKVDE IEAQQMRKVY DATA SEQUENCE KKERDQLKDE IVQTLLPRAF IRRSSTFAAI APSLGLILVD SASAKKAEDL DATA SEQUENCE LSTLREALGS LPVRPLSVKV APTATLTDWV KTQEAAGDFH VLDECELRDT DATA SEQUENCE HEDGGVVRCK RQDLTSEEIQ LHLTAGKLVT QLSLAWSDKL SFVLDDKLAV DATA SEQUENCE KRLRFEDLLQ EQAEKDGGED ALGQLDASFT LMMLTFAEFL PALFEALGGE DATA SEQUENCE EIPQGV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.109 176.300 -0.319 0.000 1.140 1 M CA 0.000 55.196 55.300 -0.173 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 W N 2.184 123.457 121.300 -0.044 0.000 2.329 2 W HA 0.634 5.294 4.660 0.000 0.000 0.312 2 W C -0.680 175.996 176.519 0.262 0.000 1.054 2 W CA -0.286 57.000 57.345 -0.098 0.000 1.245 2 W CB 0.837 30.192 29.460 -0.175 0.000 1.255 2 W HN 0.375 nan 8.180 nan 0.000 0.436 3 F N 2.723 122.884 119.950 0.352 0.000 2.628 3 F HA 0.013 4.540 4.527 -0.000 0.000 0.362 3 F C 1.560 177.621 175.800 0.434 0.000 1.148 3 F CA -0.045 58.190 58.000 0.391 0.000 1.352 3 F CB 0.592 39.903 39.000 0.518 0.000 1.081 3 F HN 0.362 nan 8.300 nan 0.000 0.605 4 R N 0.735 121.488 120.500 0.422 0.000 2.365 4 R HA 0.209 4.549 4.340 -0.000 0.000 0.223 4 R C -0.300 176.151 176.300 0.250 0.000 0.899 4 R CA 0.097 56.378 56.100 0.302 0.000 1.059 4 R CB 0.310 30.732 30.300 0.202 0.000 1.086 4 R HN 0.530 nan 8.270 nan 0.000 0.522 5 N N 0.012 118.869 118.700 0.261 0.000 2.708 5 N HA 0.316 5.056 4.740 -0.000 0.000 0.257 5 N C -2.061 173.601 175.510 0.253 0.000 1.373 5 N CA -0.643 52.536 53.050 0.214 0.000 0.843 5 N CB 2.535 41.106 38.487 0.140 0.000 1.503 5 N HN -0.164 nan 8.380 nan 0.000 0.504 6 L N 1.217 122.568 121.223 0.214 0.000 2.516 6 L HA 0.568 4.908 4.340 -0.000 0.000 0.267 6 L C -1.872 175.083 176.870 0.143 0.000 0.957 6 L CA -0.241 54.725 54.840 0.210 0.000 0.860 6 L CB 1.479 43.648 42.059 0.183 0.000 1.265 6 L HN 0.468 nan 8.230 nan 0.000 0.403 7 L N 5.446 126.771 121.223 0.170 0.000 2.362 7 L HA 0.724 5.064 4.340 -0.000 0.000 0.275 7 L C -0.868 176.104 176.870 0.170 0.000 0.998 7 L CA -0.965 53.964 54.840 0.149 0.000 0.820 7 L CB 2.206 44.420 42.059 0.259 0.000 1.270 7 L HN 0.313 nan 8.230 nan 0.000 0.415 8 V N 2.737 122.632 119.914 -0.030 0.000 2.483 8 V HA 0.430 4.550 4.120 -0.000 0.000 0.295 8 V C -1.106 174.800 176.094 -0.314 0.000 1.035 8 V CA -0.619 61.670 62.300 -0.019 0.000 0.896 8 V CB 1.592 33.415 31.823 -0.001 0.000 0.986 8 V HN 0.416 nan 8.190 nan 0.000 0.447 9 Y N 2.799 123.121 120.300 0.037 0.000 2.361 9 Y HA 0.651 5.201 4.550 -0.000 0.000 0.337 9 Y C 0.080 175.991 175.900 0.018 0.000 0.965 9 Y CA -0.857 57.256 58.100 0.022 0.000 1.091 9 Y CB 1.785 40.271 38.460 0.043 0.000 1.182 9 Y HN 0.602 nan 8.280 nan 0.000 0.450 10 R N 3.226 123.763 120.500 0.063 0.000 2.254 10 R HA 0.461 4.801 4.340 -0.000 0.000 0.318 10 R C -1.503 174.835 176.300 0.063 0.000 1.031 10 R CA -0.304 55.815 56.100 0.032 0.000 0.905 10 R CB 0.267 30.532 30.300 -0.058 0.000 1.050 10 R HN 0.817 nan 8.270 nan 0.000 0.456 11 L N 4.793 126.057 121.223 0.069 0.000 2.369 11 L HA 0.144 4.484 4.340 -0.000 0.000 0.279 11 L C 1.104 177.995 176.870 0.036 0.000 1.108 11 L CA 0.049 54.925 54.840 0.060 0.000 0.852 11 L CB 1.225 43.323 42.059 0.065 0.000 1.169 11 L HN 0.956 nan 8.230 nan 0.000 0.452 12 T N -0.298 114.273 114.554 0.028 0.000 3.148 12 T HA 0.133 4.483 4.350 -0.000 0.000 0.253 12 T C 0.531 175.239 174.700 0.013 0.000 1.134 12 T CA 0.238 62.347 62.100 0.015 0.000 1.051 12 T CB 0.180 69.054 68.868 0.011 0.000 0.959 12 T HN 0.628 nan 8.240 nan 0.000 0.525 13 Q N -0.326 119.485 119.800 0.018 0.000 2.687 13 Q HA 0.295 4.635 4.340 -0.000 0.000 0.295 13 Q C -1.676 174.335 176.000 0.018 0.000 0.920 13 Q CA -0.937 54.875 55.803 0.014 0.000 0.766 13 Q CB 1.527 30.270 28.738 0.010 0.000 1.467 13 Q HN 0.189 nan 8.270 nan 0.000 0.415 14 D N 1.074 121.483 120.400 0.015 0.000 2.414 14 D HA 0.149 4.789 4.640 -0.000 0.000 0.242 14 D C -0.906 175.398 176.300 0.007 0.000 1.129 14 D CA 0.190 54.199 54.000 0.015 0.000 0.885 14 D CB 0.975 41.783 40.800 0.013 0.000 1.198 14 D HN 0.140 nan 8.370 nan 0.000 0.437 15 L N 3.394 124.621 121.223 0.006 0.000 2.262 15 L HA 0.071 4.411 4.340 -0.000 0.000 0.288 15 L C 1.206 178.058 176.870 -0.029 0.000 1.035 15 L CA -0.073 54.758 54.840 -0.014 0.000 0.820 15 L CB 1.325 43.375 42.059 -0.015 0.000 1.204 15 L HN 0.328 nan 8.230 nan 0.000 0.424 16 Q N 4.065 123.844 119.800 -0.036 0.000 1.954 16 Q HA -0.227 4.112 4.340 -0.000 0.000 0.215 16 Q C 0.123 176.085 176.000 -0.064 0.000 1.026 16 Q CA 2.250 58.028 55.803 -0.041 0.000 0.881 16 Q CB -0.273 28.438 28.738 -0.045 0.000 0.977 16 Q HN 0.638 nan 8.270 nan 0.000 0.416 17 L N 1.411 122.569 121.223 -0.108 0.000 3.271 17 L HA -0.203 4.137 4.340 -0.000 0.000 0.625 17 L C -1.723 175.037 176.870 -0.183 0.000 1.016 17 L CA 1.131 55.854 54.840 -0.194 0.000 1.256 17 L CB -0.536 41.369 42.059 -0.256 0.000 1.457 17 L HN 0.390 nan 8.230 nan 0.000 0.754 18 D N 3.291 123.593 120.400 -0.165 0.000 2.391 18 D HA 0.577 5.217 4.640 -0.000 0.000 0.245 18 D C 1.040 177.264 176.300 -0.126 0.000 1.069 18 D CA 0.254 54.197 54.000 -0.095 0.000 0.831 18 D CB 1.840 42.608 40.800 -0.053 0.000 1.204 18 D HN 0.539 nan 8.370 nan 0.000 0.503 19 A N 2.964 125.765 122.820 -0.032 0.000 1.873 19 A HA -0.305 4.014 4.320 -0.000 0.000 0.219 19 A C 1.732 179.301 177.584 -0.026 0.000 1.269 19 A CA 2.305 54.365 52.037 0.037 0.000 0.671 19 A CB -0.543 18.577 19.000 0.199 0.000 0.842 19 A HN 0.630 nan 8.150 nan 0.000 0.460 20 D N -1.467 118.926 120.400 -0.011 0.000 2.218 20 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 20 D C 2.141 178.411 176.300 -0.050 0.000 0.976 20 D CA 1.343 55.328 54.000 -0.025 0.000 0.853 20 D CB -0.073 40.719 40.800 -0.013 0.000 0.939 20 D HN 0.357 nan 8.370 nan 0.000 0.481 21 S N -1.014 114.648 115.700 -0.064 0.000 2.356 21 S HA -0.123 4.347 4.470 -0.000 0.000 0.223 21 S C 1.814 176.350 174.600 -0.105 0.000 1.032 21 S CA 0.906 59.060 58.200 -0.076 0.000 1.005 21 S CB -0.390 62.762 63.200 -0.079 0.000 0.867 21 S HN 0.338 nan 8.310 nan 0.000 0.449 22 L N 2.032 123.167 121.223 -0.148 0.000 2.056 22 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 22 L C 2.407 179.179 176.870 -0.164 0.000 1.078 22 L CA 2.034 56.760 54.840 -0.190 0.000 0.749 22 L CB -0.837 41.055 42.059 -0.278 0.000 0.901 22 L HN 0.224 nan 8.230 nan 0.000 0.433 23 E N -0.007 120.124 120.200 -0.116 0.000 2.085 23 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 23 E C 2.178 178.731 176.600 -0.079 0.000 0.994 23 E CA 1.190 57.538 56.400 -0.088 0.000 0.801 23 E CB 0.073 29.746 29.700 -0.045 0.000 0.743 23 E HN 0.363 nan 8.360 nan 0.000 0.453 24 K N 0.472 120.831 120.400 -0.068 0.000 1.991 24 K HA -0.077 4.243 4.320 -0.000 0.000 0.212 24 K C 2.013 178.578 176.600 -0.060 0.000 1.049 24 K CA 1.627 57.882 56.287 -0.052 0.000 0.932 24 K CB -0.771 31.702 32.500 -0.045 0.000 0.717 24 K HN 0.142 nan 8.250 nan 0.000 0.441 25 A N 0.767 123.538 122.820 -0.082 0.000 1.892 25 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 25 A C 2.173 179.701 177.584 -0.094 0.000 1.188 25 A CA 1.912 53.898 52.037 -0.085 0.000 0.631 25 A CB -0.956 17.979 19.000 -0.108 0.000 0.822 25 A HN 0.290 nan 8.150 nan 0.000 0.447 26 L N -0.727 120.391 121.223 -0.176 0.000 2.127 26 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 26 L C 2.718 179.583 176.870 -0.008 0.000 1.089 26 L CA 0.967 55.673 54.840 -0.224 0.000 0.757 26 L CB -0.948 40.848 42.059 -0.439 0.000 0.899 26 L HN 0.506 nan 8.230 nan 0.000 0.434 27 G N -0.410 108.378 108.800 -0.020 0.000 2.443 27 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 27 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 27 G C 1.419 176.336 174.900 0.029 0.000 1.131 27 G CA 0.217 45.324 45.100 0.013 0.000 0.775 27 G HN 0.280 nan 8.290 nan 0.000 0.547 28 E N 0.434 120.648 120.200 0.022 0.000 2.418 28 E HA -0.011 4.339 4.350 -0.000 0.000 0.197 28 E C 0.779 177.414 176.600 0.058 0.000 1.026 28 E CA 0.692 57.109 56.400 0.028 0.000 0.862 28 E CB 0.176 29.886 29.700 0.016 0.000 0.799 28 E HN 0.277 nan 8.360 nan 0.000 0.518 29 K N 0.950 121.414 120.400 0.106 0.000 3.239 29 K HA 0.182 4.502 4.320 -0.000 0.000 0.204 29 K C -0.072 176.641 176.600 0.187 0.000 1.126 29 K CA -0.167 56.216 56.287 0.160 0.000 0.948 29 K CB 0.753 33.410 32.500 0.262 0.000 0.818 29 K HN -0.017 nan 8.250 nan 0.000 0.480 30 S N -0.443 115.318 115.700 0.101 0.000 2.632 30 S HA 0.632 5.102 4.470 -0.000 0.000 0.267 30 S C 0.584 175.168 174.600 -0.026 0.000 1.276 30 S CA -0.770 57.468 58.200 0.063 0.000 0.998 30 S CB 1.419 64.644 63.200 0.042 0.000 0.953 30 S HN 0.315 nan 8.310 nan 0.000 0.547 31 A N 1.535 124.308 122.820 -0.079 0.000 2.445 31 A HA 0.551 4.871 4.320 -0.000 0.000 0.242 31 A C 0.599 178.146 177.584 -0.061 0.000 1.075 31 A CA -0.650 51.314 52.037 -0.122 0.000 0.777 31 A CB -0.076 18.830 19.000 -0.158 0.000 1.013 31 A HN 0.985 nan 8.150 nan 0.000 0.493 32 R N 1.742 122.211 120.500 -0.053 0.000 2.698 32 R HA 0.634 4.973 4.340 -0.000 0.000 0.275 32 R C -3.236 173.051 176.300 -0.021 0.000 1.001 32 R CA -1.893 54.191 56.100 -0.027 0.000 0.896 32 R CB 1.355 31.646 30.300 -0.014 0.000 1.218 32 R HN 0.463 nan 8.270 nan 0.000 0.462 33 P HA -0.022 nan 4.420 nan 0.000 0.269 33 P C -0.264 177.036 177.300 0.001 0.000 1.215 33 P CA -0.386 62.712 63.100 -0.004 0.000 0.780 33 P CB 0.637 32.338 31.700 0.001 0.000 0.898 34 C N 2.351 121.655 119.300 0.007 0.000 2.632 34 C HA 0.404 4.864 4.460 -0.000 0.000 0.415 34 C C 1.132 176.128 174.990 0.011 0.000 1.332 34 C CA -0.043 58.981 59.018 0.010 0.000 1.874 34 C CB -1.141 26.609 27.740 0.016 0.000 2.596 34 C HN 0.640 nan 8.230 nan 0.000 0.590 35 A N 4.320 127.145 122.820 0.008 0.000 2.440 35 A HA 0.363 4.683 4.320 -0.000 0.000 0.251 35 A C 1.366 178.954 177.584 0.007 0.000 1.089 35 A CA 0.549 52.591 52.037 0.007 0.000 0.779 35 A CB 0.351 19.354 19.000 0.005 0.000 1.022 35 A HN 1.457 nan 8.150 nan 0.000 0.492 36 S N 1.403 117.108 115.700 0.007 0.000 2.461 36 S HA -0.178 4.292 4.470 -0.000 0.000 0.246 36 S C 0.857 175.457 174.600 -0.000 0.000 1.007 36 S CA 1.810 60.012 58.200 0.005 0.000 0.976 36 S CB -0.170 63.033 63.200 0.004 0.000 0.763 36 S HN 0.715 nan 8.310 nan 0.000 0.508 37 Q N 0.403 120.203 119.800 0.000 0.000 2.179 37 Q HA 0.411 4.751 4.340 -0.000 0.000 0.213 37 Q C -0.246 175.754 176.000 -0.001 0.000 0.833 37 Q CA 0.044 55.846 55.803 -0.002 0.000 0.990 37 Q CB 0.516 29.253 28.738 -0.002 0.000 1.132 37 Q HN 0.799 nan 8.270 nan 0.000 0.493 38 E N 0.348 120.549 120.200 0.002 0.000 2.204 38 E HA 0.248 4.597 4.350 -0.000 0.000 0.276 38 E C 0.187 176.790 176.600 0.004 0.000 0.974 38 E CA -0.247 56.155 56.400 0.003 0.000 0.815 38 E CB 0.974 30.677 29.700 0.005 0.000 1.119 38 E HN -0.082 nan 8.360 nan 0.000 0.393 39 L N 2.018 123.243 121.223 0.003 0.000 2.102 39 L HA 0.150 4.490 4.340 -0.000 0.000 0.202 39 L C 0.987 177.863 176.870 0.010 0.000 1.076 39 L CA 0.873 55.715 54.840 0.004 0.000 0.761 39 L CB -0.372 41.687 42.059 -0.000 0.000 0.921 39 L HN 0.674 nan 8.230 nan 0.000 0.444 40 T N -3.418 111.143 114.554 0.012 0.000 2.889 40 T HA 0.659 5.009 4.350 -0.000 0.000 0.315 40 T C -0.443 174.275 174.700 0.029 0.000 1.291 40 T CA -0.503 61.610 62.100 0.022 0.000 1.028 40 T CB 1.982 70.863 68.868 0.022 0.000 1.235 40 T HN 0.082 nan 8.240 nan 0.000 0.491 41 T N -0.337 114.241 114.554 0.040 0.000 2.907 41 T HA 0.732 5.082 4.350 -0.000 0.000 0.292 41 T C -1.645 173.108 174.700 0.088 0.000 1.043 41 T CA -0.895 61.230 62.100 0.042 0.000 1.003 41 T CB 1.971 70.843 68.868 0.007 0.000 1.084 41 T HN 0.891 nan 8.240 nan 0.000 0.483 42 Y N 0.019 120.262 120.300 -0.095 0.000 2.330 42 Y HA 0.607 5.157 4.550 -0.000 0.000 0.324 42 Y C -0.249 175.527 175.900 -0.206 0.000 1.093 42 Y CA -0.052 57.958 58.100 -0.150 0.000 1.103 42 Y CB 1.468 39.840 38.460 -0.147 0.000 1.183 42 Y HN 1.320 nan 8.280 nan 0.000 0.433 43 G N 3.247 111.660 108.800 -0.646 0.000 2.600 43 G HA2 0.433 4.392 3.960 -0.000 0.000 0.293 43 G HA3 0.433 4.392 3.960 -0.000 0.000 0.293 43 G C -2.008 172.455 174.900 -0.729 0.000 1.408 43 G CA -0.922 43.839 45.100 -0.566 0.000 0.782 43 G HN 0.377 nan 8.290 nan 0.000 0.482 44 F N 0.803 120.624 119.950 -0.214 0.000 2.382 44 F HA 0.642 5.169 4.527 -0.000 0.000 0.331 44 F C 1.109 176.805 175.800 -0.172 0.000 1.121 44 F CA 0.117 57.994 58.000 -0.205 0.000 1.183 44 F CB 2.100 41.015 39.000 -0.142 0.000 1.207 44 F HN 0.509 nan 8.300 nan 0.000 0.555 45 T N -0.954 113.602 114.554 0.003 0.000 2.864 45 T HA 0.688 5.038 4.350 -0.000 0.000 0.299 45 T C -0.766 173.914 174.700 -0.034 0.000 1.166 45 T CA -1.191 60.886 62.100 -0.039 0.000 1.007 45 T CB 1.323 70.132 68.868 -0.098 0.000 1.219 45 T HN 0.742 nan 8.240 nan 0.000 0.506 46 A N 2.987 125.802 122.820 -0.008 0.000 2.515 46 A HA 0.421 4.741 4.320 -0.000 0.000 0.263 46 A C -0.682 176.911 177.584 0.016 0.000 1.096 46 A CA -0.986 51.062 52.037 0.018 0.000 0.769 46 A CB -0.375 18.660 19.000 0.057 0.000 1.040 46 A HN 0.704 nan 8.150 nan 0.000 0.505 47 P HA -0.106 nan 4.420 nan 0.000 0.215 47 P C 0.259 177.742 177.300 0.305 0.000 1.157 47 P CA 1.266 64.385 63.100 0.031 0.000 0.863 47 P CB 0.105 31.694 31.700 -0.185 0.000 0.787 48 F N -1.123 118.883 119.950 0.092 0.000 2.556 48 F HA 0.575 5.102 4.527 -0.000 0.000 0.327 48 F C 0.747 176.581 175.800 0.058 0.000 1.059 48 F CA -0.616 57.406 58.000 0.037 0.000 0.953 48 F CB 2.150 41.102 39.000 -0.079 0.000 1.227 48 F HN 0.026 nan 8.300 nan 0.000 0.478 49 G N 2.703 111.650 108.800 0.244 0.000 2.999 49 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 49 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 49 G C -1.503 173.460 174.900 0.105 0.000 1.057 49 G CA -0.813 44.377 45.100 0.150 0.000 0.784 49 G HN 0.798 nan 8.290 nan 0.000 0.575 50 K N 0.933 121.377 120.400 0.072 0.000 2.288 50 K HA 0.833 5.153 4.320 -0.000 0.000 0.234 50 K C 0.809 177.433 176.600 0.042 0.000 1.037 50 K CA 0.315 56.633 56.287 0.052 0.000 0.914 50 K CB 1.516 34.041 32.500 0.041 0.000 1.197 50 K HN 2.593 nan 8.250 nan 0.000 0.471 51 G N 0.901 109.719 108.800 0.031 0.000 2.662 51 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.686 51 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.686 51 G C -2.010 172.904 174.900 0.022 0.000 1.271 51 G CA -0.431 44.684 45.100 0.024 0.000 0.816 51 G HN 0.506 nan 8.290 nan 0.000 0.608 52 P HA 0.161 nan 4.420 nan 0.000 0.240 52 P C 0.264 177.573 177.300 0.015 0.000 1.190 52 P CA 1.052 64.160 63.100 0.014 0.000 0.781 52 P CB 0.355 32.062 31.700 0.010 0.000 0.931 53 D N 0.014 120.424 120.400 0.018 0.000 2.402 53 D HA 0.206 4.846 4.640 -0.000 0.000 0.216 53 D C 0.576 176.891 176.300 0.024 0.000 1.128 53 D CA -0.111 53.900 54.000 0.018 0.000 0.833 53 D CB 0.672 41.481 40.800 0.015 0.000 0.971 53 D HN 0.118 nan 8.370 nan 0.000 0.503 54 A N 2.074 124.913 122.820 0.032 0.000 2.401 54 A HA 0.432 4.752 4.320 -0.000 0.000 0.259 54 A C -2.194 175.414 177.584 0.041 0.000 1.103 54 A CA -0.955 51.110 52.037 0.046 0.000 0.789 54 A CB 0.102 19.137 19.000 0.060 0.000 1.035 54 A HN -0.117 nan 8.150 nan 0.000 0.491 55 P HA 0.091 nan 4.420 nan 0.000 0.266 55 P C 0.521 177.837 177.300 0.027 0.000 1.195 55 P CA -0.069 63.050 63.100 0.031 0.000 0.768 55 P CB 0.438 32.157 31.700 0.033 0.000 0.838 56 L N 1.627 122.853 121.223 0.004 0.000 2.418 56 L HA 0.087 4.427 4.340 -0.000 0.000 0.218 56 L C 0.983 177.836 176.870 -0.028 0.000 1.125 56 L CA 0.537 55.370 54.840 -0.011 0.000 0.835 56 L CB 0.102 42.145 42.059 -0.027 0.000 0.953 56 L HN 0.221 nan 8.230 nan 0.000 0.454 57 V N -0.943 118.965 119.914 -0.010 0.000 2.656 57 V HA 0.385 4.505 4.120 -0.000 0.000 0.307 57 V C -1.174 174.951 176.094 0.051 0.000 1.051 57 V CA -0.647 61.663 62.300 0.017 0.000 0.893 57 V CB 2.093 33.939 31.823 0.039 0.000 0.999 57 V HN 0.085 nan 8.190 nan 0.000 0.426 58 H N 5.578 124.598 119.070 -0.083 0.000 2.551 58 H HA 0.595 5.151 4.556 -0.000 0.000 0.321 58 H C -1.398 173.903 175.328 -0.045 0.000 1.028 58 H CA -0.263 55.720 56.048 -0.108 0.000 1.215 58 H CB 1.801 31.365 29.762 -0.330 0.000 1.414 58 H HN 0.570 nan 8.280 nan 0.000 0.480 59 V N 4.265 124.051 119.914 -0.214 0.000 2.427 59 V HA 0.241 4.361 4.120 -0.000 0.000 0.286 59 V C 0.320 176.373 176.094 -0.068 0.000 1.034 59 V CA -0.450 61.760 62.300 -0.149 0.000 0.893 59 V CB 1.467 33.188 31.823 -0.169 0.000 0.982 59 V HN 0.776 nan 8.190 nan 0.000 0.452 60 S N 4.532 120.269 115.700 0.062 0.000 2.721 60 S HA 0.476 4.946 4.470 -0.000 0.000 0.264 60 S C -0.213 174.369 174.600 -0.030 0.000 1.161 60 S CA -0.414 57.867 58.200 0.135 0.000 1.113 60 S CB 0.264 63.701 63.200 0.396 0.000 1.079 60 S HN 0.935 nan 8.310 nan 0.000 0.479 61 Q N 2.084 121.795 119.800 -0.147 0.000 1.541 61 Q HA -0.228 4.112 4.340 -0.000 0.000 0.326 61 Q C -0.835 174.886 176.000 -0.465 0.000 0.865 61 Q CA 1.770 57.403 55.803 -0.284 0.000 0.872 61 Q CB -1.409 27.117 28.738 -0.354 0.000 3.307 61 Q HN 0.806 nan 8.270 nan 0.000 0.602 62 D N 0.628 120.578 120.400 -0.750 0.000 2.525 62 D HA 0.342 4.982 4.640 -0.000 0.000 0.229 62 D C -0.401 175.445 176.300 -0.758 0.000 1.202 62 D CA 0.077 53.671 54.000 -0.675 0.000 0.828 62 D CB -0.475 40.057 40.800 -0.446 0.000 1.008 62 D HN 0.152 nan 8.370 nan 0.000 0.493 63 F N 0.342 120.085 119.950 -0.346 0.000 2.436 63 F HA 0.492 5.019 4.527 -0.000 0.000 0.340 63 F C -0.261 175.417 175.800 -0.202 0.000 1.113 63 F CA -1.380 56.538 58.000 -0.137 0.000 1.022 63 F CB 1.190 40.140 39.000 -0.083 0.000 1.128 63 F HN -0.297 nan 8.300 nan 0.000 0.466 64 F N 4.125 124.332 119.950 0.429 0.000 2.449 64 F HA 0.421 4.948 4.527 -0.000 0.000 0.342 64 F C -0.331 175.599 175.800 0.218 0.000 1.127 64 F CA -0.713 57.440 58.000 0.254 0.000 0.975 64 F CB 1.381 40.457 39.000 0.128 0.000 1.146 64 F HN 0.281 nan 8.300 nan 0.000 0.444 65 L N 6.336 127.636 121.223 0.127 0.000 2.282 65 L HA 0.685 5.024 4.340 -0.000 0.000 0.288 65 L C -0.501 176.340 176.870 -0.049 0.000 1.033 65 L CA -0.577 54.183 54.840 -0.134 0.000 0.807 65 L CB 1.195 42.695 42.059 -0.931 0.000 1.209 65 L HN 0.751 nan 8.230 nan 0.000 0.423 66 I N 1.096 121.688 120.570 0.036 0.000 3.239 66 I HA 0.732 4.902 4.170 -0.000 0.000 0.314 66 I C -0.959 175.145 176.117 -0.022 0.000 1.126 66 I CA -0.624 60.677 61.300 0.003 0.000 0.973 66 I CB 2.381 40.374 38.000 -0.011 0.000 1.252 66 I HN 0.517 nan 8.210 nan 0.000 0.463 67 S N 1.382 117.055 115.700 -0.044 0.000 2.533 67 S HA 0.831 5.300 4.470 -0.000 0.000 0.271 67 S C -1.232 173.262 174.600 -0.178 0.000 1.143 67 S CA -0.253 57.761 58.200 -0.310 0.000 0.891 67 S CB 1.705 64.437 63.200 -0.781 0.000 1.105 67 S HN 1.147 nan 8.310 nan 0.000 0.468 68 A N 3.711 126.306 122.820 -0.376 0.000 2.342 68 A HA 0.854 5.174 4.320 -0.000 0.000 0.323 68 A C -0.395 176.807 177.584 -0.637 0.000 1.125 68 A CA -0.753 50.867 52.037 -0.695 0.000 0.785 68 A CB 1.169 19.648 19.000 -0.867 0.000 1.221 68 A HN 0.820 nan 8.150 nan 0.000 0.463 69 R N 1.753 121.845 120.500 -0.679 0.000 2.562 69 R HA 0.533 4.873 4.340 -0.000 0.000 0.298 69 R C -0.919 175.108 176.300 -0.455 0.000 0.961 69 R CA -0.510 55.326 56.100 -0.440 0.000 0.881 69 R CB 1.325 31.459 30.300 -0.276 0.000 1.159 69 R HN 0.758 nan 8.270 nan 0.000 0.450 70 K N 2.976 123.254 120.400 -0.204 0.000 2.221 70 K HA 0.263 4.583 4.320 -0.000 0.000 0.258 70 K C -1.136 175.458 176.600 -0.010 0.000 0.944 70 K CA -0.490 55.790 56.287 -0.012 0.000 0.823 70 K CB 1.625 34.235 32.500 0.182 0.000 1.113 70 K HN 0.584 nan 8.250 nan 0.000 0.431 71 E N 2.564 122.767 120.200 0.006 0.000 2.199 71 E HA 0.204 4.554 4.350 -0.000 0.000 0.269 71 E C -1.435 175.181 176.600 0.027 0.000 0.899 71 E CA -0.691 55.714 56.400 0.009 0.000 0.772 71 E CB 2.167 31.865 29.700 -0.003 0.000 1.155 71 E HN 0.538 nan 8.360 nan 0.000 0.408 72 E N 2.535 122.753 120.200 0.031 0.000 2.321 72 E HA 0.263 4.613 4.350 -0.000 0.000 0.278 72 E C -1.146 175.476 176.600 0.038 0.000 0.902 72 E CA -0.680 55.739 56.400 0.032 0.000 0.758 72 E CB 1.428 31.148 29.700 0.033 0.000 1.213 72 E HN 0.325 nan 8.360 nan 0.000 0.426 73 R N 2.841 123.359 120.500 0.030 0.000 2.340 73 R HA 0.257 4.596 4.340 -0.000 0.000 0.300 73 R C 0.185 176.502 176.300 0.029 0.000 1.069 73 R CA -0.465 55.655 56.100 0.032 0.000 0.984 73 R CB 0.176 30.486 30.300 0.015 0.000 1.003 73 R HN 0.414 nan 8.270 nan 0.000 0.459 74 I N 1.052 121.647 120.570 0.042 0.000 2.293 74 I HA 0.163 4.333 4.170 -0.000 0.000 0.299 74 I C -0.330 175.783 176.117 -0.006 0.000 1.153 74 I CA 0.555 61.876 61.300 0.035 0.000 1.302 74 I CB 0.033 38.083 38.000 0.083 0.000 1.460 74 I HN 0.394 nan 8.210 nan 0.000 0.552 75 L N 7.673 128.892 121.223 -0.006 0.000 2.506 75 L HA 0.531 4.871 4.340 -0.000 0.000 0.247 75 L C -2.131 174.732 176.870 -0.012 0.000 1.141 75 L CA -1.637 53.191 54.840 -0.020 0.000 0.973 75 L CB 0.882 42.929 42.059 -0.020 0.000 1.319 75 L HN 0.453 nan 8.230 nan 0.000 0.455 76 P HA 0.030 nan 4.420 nan 0.000 0.258 76 P C 1.152 178.447 177.300 -0.008 0.000 1.187 76 P CA 0.167 63.265 63.100 -0.004 0.000 0.767 76 P CB 1.023 32.722 31.700 -0.002 0.000 0.770 77 G N 2.617 111.414 108.800 -0.005 0.000 2.517 77 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.222 77 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.222 77 G C 1.497 176.392 174.900 -0.008 0.000 1.109 77 G CA 0.909 46.005 45.100 -0.007 0.000 0.746 77 G HN 0.470 nan 8.290 nan 0.000 0.576 78 S N 0.071 115.767 115.700 -0.006 0.000 2.353 78 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 78 S C 2.434 177.027 174.600 -0.011 0.000 1.035 78 S CA 1.385 59.581 58.200 -0.007 0.000 1.025 78 S CB -0.449 62.749 63.200 -0.004 0.000 0.902 78 S HN 0.221 nan 8.310 nan 0.000 0.440 79 V N 1.539 121.444 119.914 -0.015 0.000 2.626 79 V HA -0.084 4.036 4.120 -0.000 0.000 0.252 79 V C 2.235 178.316 176.094 -0.021 0.000 1.067 79 V CA 1.071 63.358 62.300 -0.021 0.000 1.081 79 V CB -0.739 31.066 31.823 -0.031 0.000 0.686 79 V HN 0.325 nan 8.190 nan 0.000 0.468 80 V N 0.045 119.947 119.914 -0.019 0.000 2.515 80 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 80 V C 2.552 178.637 176.094 -0.015 0.000 1.058 80 V CA 1.851 64.140 62.300 -0.018 0.000 1.064 80 V CB -0.665 31.149 31.823 -0.015 0.000 0.675 80 V HN 0.507 nan 8.190 nan 0.000 0.461 81 R N -0.027 120.465 120.500 -0.013 0.000 2.066 81 R HA -0.072 4.268 4.340 -0.000 0.000 0.224 81 R C 2.010 178.302 176.300 -0.014 0.000 1.122 81 R CA 1.525 57.617 56.100 -0.013 0.000 0.974 81 R CB -0.442 29.851 30.300 -0.011 0.000 0.871 81 R HN 0.435 nan 8.270 nan 0.000 0.435 82 D N 1.033 121.425 120.400 -0.014 0.000 2.221 82 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 82 D C 1.683 177.974 176.300 -0.015 0.000 0.982 82 D CA 1.327 55.318 54.000 -0.014 0.000 0.857 82 D CB -0.024 40.769 40.800 -0.013 0.000 0.934 82 D HN 0.293 nan 8.370 nan 0.000 0.475 83 A N -0.146 122.664 122.820 -0.017 0.000 1.968 83 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 83 A C 2.094 179.669 177.584 -0.015 0.000 1.169 83 A CA 0.696 52.722 52.037 -0.017 0.000 0.638 83 A CB -0.474 18.514 19.000 -0.019 0.000 0.812 83 A HN 0.193 nan 8.150 nan 0.000 0.446 84 L N -0.285 120.929 121.223 -0.015 0.000 1.988 84 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 84 L C 2.101 178.960 176.870 -0.018 0.000 1.071 84 L CA 1.228 56.059 54.840 -0.015 0.000 0.744 84 L CB -0.447 41.603 42.059 -0.015 0.000 0.893 84 L HN 0.188 nan 8.230 nan 0.000 0.433 85 K N 0.104 120.492 120.400 -0.019 0.000 2.520 85 K HA -0.182 4.138 4.320 -0.000 0.000 0.197 85 K C 1.584 178.173 176.600 -0.018 0.000 1.044 85 K CA 0.974 57.249 56.287 -0.021 0.000 0.938 85 K CB -0.326 32.162 32.500 -0.019 0.000 0.767 85 K HN 0.417 nan 8.250 nan 0.000 0.481 86 E N 0.248 120.438 120.200 -0.016 0.000 2.330 86 E HA -0.011 4.339 4.350 -0.000 0.000 0.200 86 E C 1.610 178.202 176.600 -0.013 0.000 0.922 86 E CA 0.240 56.632 56.400 -0.014 0.000 0.935 86 E CB 0.375 30.067 29.700 -0.013 0.000 0.917 86 E HN 0.030 nan 8.360 nan 0.000 0.491 87 K N 0.740 121.132 120.400 -0.013 0.000 2.103 87 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 87 K C 1.972 178.566 176.600 -0.011 0.000 1.052 87 K CA 0.747 57.028 56.287 -0.010 0.000 0.945 87 K CB -0.370 32.124 32.500 -0.009 0.000 0.722 87 K HN -0.101 nan 8.250 nan 0.000 0.443 88 V N 1.752 121.657 119.914 -0.015 0.000 2.255 88 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 88 V C 1.520 177.603 176.094 -0.018 0.000 1.051 88 V CA 2.313 64.601 62.300 -0.020 0.000 1.018 88 V CB -0.611 31.193 31.823 -0.032 0.000 0.641 88 V HN 0.385 nan 8.190 nan 0.000 0.445 89 D N -0.074 120.316 120.400 -0.018 0.000 2.126 89 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 89 D C 2.177 178.471 176.300 -0.010 0.000 1.001 89 D CA 1.705 55.695 54.000 -0.015 0.000 0.841 89 D CB -0.339 40.453 40.800 -0.014 0.000 0.949 89 D HN 0.590 nan 8.370 nan 0.000 0.446 90 E N 0.158 120.353 120.200 -0.008 0.000 2.058 90 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 90 E C 2.470 179.069 176.600 -0.002 0.000 0.997 90 E CA 0.643 57.041 56.400 -0.005 0.000 0.801 90 E CB -0.176 29.521 29.700 -0.004 0.000 0.746 90 E HN 0.342 nan 8.360 nan 0.000 0.450 91 I N 1.437 122.006 120.570 -0.002 0.000 2.163 91 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 91 I C 2.218 178.338 176.117 0.005 0.000 1.085 91 I CA 1.398 62.700 61.300 0.004 0.000 1.347 91 I CB -0.392 37.612 38.000 0.006 0.000 1.044 91 I HN 0.110 nan 8.210 nan 0.000 0.408 92 E N 0.810 121.009 120.200 -0.001 0.000 2.338 92 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 92 E C 1.864 178.464 176.600 -0.000 0.000 1.007 92 E CA 0.985 57.384 56.400 -0.002 0.000 0.849 92 E CB -0.064 29.628 29.700 -0.015 0.000 0.774 92 E HN 0.503 nan 8.360 nan 0.000 0.506 93 A N 0.369 123.188 122.820 -0.001 0.000 2.308 93 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 93 A C 1.607 179.192 177.584 0.002 0.000 1.216 93 A CA 0.156 52.192 52.037 -0.001 0.000 0.864 93 A CB 0.308 19.306 19.000 -0.003 0.000 0.902 93 A HN 0.082 nan 8.150 nan 0.000 0.499 94 Q N -1.587 118.216 119.800 0.004 0.000 2.384 94 Q HA 0.122 4.462 4.340 -0.000 0.000 0.264 94 Q C 0.747 176.751 176.000 0.007 0.000 0.825 94 Q CA 0.170 55.976 55.803 0.005 0.000 0.984 94 Q CB 0.478 29.218 28.738 0.004 0.000 1.183 94 Q HN 0.663 nan 8.270 nan 0.000 0.537 95 Q N 0.602 120.408 119.800 0.011 0.000 2.189 95 Q HA 0.282 4.622 4.340 -0.000 0.000 0.221 95 Q C -0.349 175.663 176.000 0.019 0.000 0.848 95 Q CA -0.226 55.586 55.803 0.015 0.000 1.007 95 Q CB 0.411 29.159 28.738 0.018 0.000 1.116 95 Q HN 0.309 nan 8.270 nan 0.000 0.481 96 M N 1.824 121.434 119.600 0.017 0.000 2.105 96 M HA -0.312 4.168 4.480 -0.000 0.000 0.193 96 M C -0.149 176.170 176.300 0.032 0.000 0.319 96 M CA 1.200 56.512 55.300 0.020 0.000 0.376 96 M CB -1.762 30.847 32.600 0.016 0.000 1.023 96 M HN 0.396 nan 8.290 nan 0.000 0.946 97 R N -1.671 118.853 120.500 0.041 0.000 2.733 97 R HA 0.711 5.051 4.340 -0.000 0.000 0.272 97 R C -1.231 175.115 176.300 0.077 0.000 1.029 97 R CA -1.374 54.770 56.100 0.073 0.000 0.888 97 R CB 1.605 31.953 30.300 0.080 0.000 1.251 97 R HN -0.107 nan 8.270 nan 0.000 0.464 98 K N 0.824 121.309 120.400 0.142 0.000 2.123 98 K HA 0.376 4.696 4.320 -0.000 0.000 0.248 98 K C -0.789 175.845 176.600 0.056 0.000 0.969 98 K CA -0.874 55.427 56.287 0.023 0.000 0.882 98 K CB 2.333 34.749 32.500 -0.138 0.000 1.080 98 K HN 0.408 nan 8.250 nan 0.000 0.441 99 V N 3.355 123.204 119.914 -0.107 0.000 2.465 99 V HA 0.338 4.458 4.120 -0.000 0.000 0.279 99 V C -1.249 174.740 176.094 -0.175 0.000 1.045 99 V CA -0.220 62.066 62.300 -0.023 0.000 0.938 99 V CB 0.210 32.012 31.823 -0.035 0.000 0.986 99 V HN 0.521 nan 8.190 nan 0.000 0.467 100 Y N 5.482 125.780 120.300 -0.003 0.000 2.650 100 Y HA 0.533 5.083 4.550 -0.000 0.000 0.331 100 Y C 1.293 177.191 175.900 -0.003 0.000 1.082 100 Y CA -1.212 56.887 58.100 -0.003 0.000 1.171 100 Y CB 1.088 39.546 38.460 -0.003 0.000 1.326 100 Y HN 0.574 nan 8.280 nan 0.000 0.513 101 K N 0.522 121.024 120.400 0.170 0.000 2.008 101 K HA -0.365 3.955 4.320 -0.000 0.000 0.231 101 K C 1.561 178.201 176.600 0.066 0.000 1.031 101 K CA 2.415 58.756 56.287 0.090 0.000 0.995 101 K CB -0.906 31.646 32.500 0.087 0.000 0.747 101 K HN 0.696 nan 8.250 nan 0.000 0.447 102 K N 1.216 121.657 120.400 0.069 0.000 2.280 102 K HA -0.181 4.139 4.320 -0.000 0.000 0.202 102 K C 2.190 178.815 176.600 0.043 0.000 1.047 102 K CA 1.559 57.872 56.287 0.043 0.000 0.942 102 K CB 0.044 32.563 32.500 0.031 0.000 0.739 102 K HN 0.273 nan 8.250 nan 0.000 0.457 103 E N 0.845 121.084 120.200 0.065 0.000 2.016 103 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 103 E C 1.865 178.486 176.600 0.035 0.000 0.985 103 E CA 1.313 57.746 56.400 0.055 0.000 0.802 103 E CB 0.069 29.820 29.700 0.085 0.000 0.762 103 E HN 0.210 nan 8.360 nan 0.000 0.448 104 R N 0.336 120.855 120.500 0.032 0.000 2.105 104 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 104 R C 2.076 178.382 176.300 0.010 0.000 1.135 104 R CA 1.535 57.642 56.100 0.012 0.000 0.967 104 R CB -0.446 29.855 30.300 0.001 0.000 0.861 104 R HN 0.300 nan 8.270 nan 0.000 0.442 105 D N 0.277 120.686 120.400 0.015 0.000 2.123 105 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 105 D C 2.013 178.318 176.300 0.008 0.000 0.992 105 D CA 1.271 55.277 54.000 0.011 0.000 0.833 105 D CB 0.097 40.906 40.800 0.014 0.000 0.954 105 D HN 0.048 nan 8.370 nan 0.000 0.455 106 Q N 0.004 119.811 119.800 0.011 0.000 2.016 106 Q HA -0.034 4.306 4.340 -0.000 0.000 0.200 106 Q C 2.167 178.170 176.000 0.005 0.000 0.978 106 Q CA 1.330 57.137 55.803 0.008 0.000 0.833 106 Q CB -0.412 28.333 28.738 0.011 0.000 0.895 106 Q HN 0.382 nan 8.270 nan 0.000 0.427 107 L N 0.286 121.513 121.223 0.005 0.000 2.187 107 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 107 L C 2.486 179.355 176.870 -0.003 0.000 1.100 107 L CA 1.333 56.174 54.840 0.001 0.000 0.765 107 L CB -0.490 41.570 42.059 0.001 0.000 0.904 107 L HN 0.226 nan 8.230 nan 0.000 0.437 108 K N 0.179 120.577 120.400 -0.002 0.000 2.062 108 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 108 K C 1.603 178.200 176.600 -0.006 0.000 1.051 108 K CA 1.459 57.743 56.287 -0.005 0.000 0.941 108 K CB 0.080 32.577 32.500 -0.004 0.000 0.719 108 K HN 0.232 nan 8.250 nan 0.000 0.440 109 D N 0.817 121.215 120.400 -0.004 0.000 2.178 109 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 109 D C 1.467 177.764 176.300 -0.006 0.000 0.980 109 D CA 1.162 55.159 54.000 -0.005 0.000 0.842 109 D CB -0.020 40.778 40.800 -0.002 0.000 0.948 109 D HN 0.378 nan 8.370 nan 0.000 0.472 110 E N -0.052 120.145 120.200 -0.005 0.000 2.158 110 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 110 E C 2.181 178.775 176.600 -0.009 0.000 0.982 110 E CA 0.257 56.653 56.400 -0.006 0.000 0.823 110 E CB 0.116 29.814 29.700 -0.004 0.000 0.766 110 E HN 0.321 nan 8.360 nan 0.000 0.468 111 I N 0.789 121.352 120.570 -0.011 0.000 2.202 111 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 111 I C 2.362 178.468 176.117 -0.018 0.000 1.091 111 I CA 0.674 61.965 61.300 -0.015 0.000 1.368 111 I CB -0.225 37.766 38.000 -0.015 0.000 1.058 111 I HN -0.037 nan 8.210 nan 0.000 0.410 112 V N 0.651 120.555 119.914 -0.016 0.000 2.233 112 V HA -0.363 3.757 4.120 -0.000 0.000 0.247 112 V C 2.536 178.620 176.094 -0.017 0.000 1.050 112 V CA 2.295 64.585 62.300 -0.017 0.000 1.010 112 V CB -0.779 31.036 31.823 -0.013 0.000 0.637 112 V HN 0.521 nan 8.190 nan 0.000 0.444 113 Q N -0.670 119.122 119.800 -0.013 0.000 2.197 113 Q HA -0.238 4.102 4.340 -0.000 0.000 0.207 113 Q C 2.077 178.068 176.000 -0.014 0.000 0.984 113 Q CA 2.265 58.061 55.803 -0.012 0.000 0.869 113 Q CB -0.113 28.619 28.738 -0.009 0.000 0.906 113 Q HN 0.706 nan 8.270 nan 0.000 0.426 114 T N 0.302 114.845 114.554 -0.017 0.000 2.937 114 T HA 0.052 4.402 4.350 -0.000 0.000 0.260 114 T C 1.638 176.321 174.700 -0.029 0.000 1.051 114 T CA 0.620 62.708 62.100 -0.020 0.000 1.141 114 T CB 0.073 68.930 68.868 -0.019 0.000 0.879 114 T HN 0.228 nan 8.240 nan 0.000 0.459 115 L N 0.394 121.597 121.223 -0.034 0.000 2.270 115 L HA 0.183 4.523 4.340 -0.000 0.000 0.210 115 L C 2.306 179.144 176.870 -0.053 0.000 1.104 115 L CA 0.349 55.160 54.840 -0.049 0.000 0.804 115 L CB -0.477 41.551 42.059 -0.051 0.000 0.937 115 L HN 0.222 nan 8.230 nan 0.000 0.450 116 L N 0.927 122.128 121.223 -0.037 0.000 1.963 116 L HA -0.192 4.148 4.340 -0.000 0.000 0.220 116 L C -0.057 176.793 176.870 -0.033 0.000 1.076 116 L CA 1.966 56.787 54.840 -0.032 0.000 0.772 116 L CB -1.891 40.157 42.059 -0.018 0.000 0.892 116 L HN 0.231 nan 8.230 nan 0.000 0.435 117 P HA -0.201 nan 4.420 nan 0.000 0.219 117 P C 1.014 178.297 177.300 -0.029 0.000 1.144 117 P CA 1.628 64.717 63.100 -0.018 0.000 0.806 117 P CB -0.162 31.530 31.700 -0.013 0.000 0.771 118 R N -0.635 119.829 120.500 -0.061 0.000 2.280 118 R HA 0.313 4.653 4.340 -0.000 0.000 0.195 118 R C 1.198 177.378 176.300 -0.200 0.000 0.935 118 R CA -0.037 56.001 56.100 -0.103 0.000 1.033 118 R CB -0.085 30.147 30.300 -0.114 0.000 0.964 118 R HN 0.094 nan 8.270 nan 0.000 0.489 119 A N 1.512 124.237 122.820 -0.157 0.000 2.477 119 A HA 0.228 4.548 4.320 -0.000 0.000 0.246 119 A C -0.213 177.325 177.584 -0.076 0.000 1.078 119 A CA -0.220 51.702 52.037 -0.192 0.000 0.770 119 A CB -0.073 18.875 19.000 -0.087 0.000 1.011 119 A HN 0.144 nan 8.150 nan 0.000 0.494 120 F N 0.716 120.669 119.950 0.004 0.000 2.444 120 F HA 0.342 4.868 4.527 -0.000 0.000 0.331 120 F C 0.706 176.509 175.800 0.004 0.000 1.167 120 F CA -0.149 57.854 58.000 0.004 0.000 1.262 120 F CB 0.684 39.688 39.000 0.006 0.000 1.196 120 F HN 0.327 nan 8.300 nan 0.000 0.583 121 I N 1.747 122.449 120.570 0.220 0.000 2.460 121 I HA 0.368 4.538 4.170 -0.000 0.000 0.298 121 I C -0.256 175.910 176.117 0.082 0.000 0.989 121 I CA -0.772 60.595 61.300 0.113 0.000 1.173 121 I CB 1.962 40.007 38.000 0.075 0.000 1.338 121 I HN 0.512 nan 8.210 nan 0.000 0.456 122 R N 6.294 126.832 120.500 0.063 0.000 2.393 122 R HA 0.522 4.862 4.340 -0.000 0.000 0.315 122 R C -1.065 175.254 176.300 0.032 0.000 0.952 122 R CA -0.648 55.480 56.100 0.047 0.000 0.842 122 R CB 1.071 31.401 30.300 0.050 0.000 1.163 122 R HN 0.636 nan 8.270 nan 0.000 0.450 123 R N 2.240 122.753 120.500 0.022 0.000 2.460 123 R HA 0.393 4.733 4.340 -0.000 0.000 0.303 123 R C -0.899 175.409 176.300 0.013 0.000 0.968 123 R CA -0.796 55.309 56.100 0.009 0.000 0.889 123 R CB 2.101 32.400 30.300 -0.002 0.000 1.123 123 R HN 0.793 nan 8.270 nan 0.000 0.455 124 S N 0.266 115.968 115.700 0.003 0.000 2.540 124 S HA 0.562 5.032 4.470 -0.000 0.000 0.275 124 S C -0.705 173.882 174.600 -0.022 0.000 1.123 124 S CA -0.863 57.346 58.200 0.016 0.000 0.907 124 S CB 2.161 65.382 63.200 0.036 0.000 1.081 124 S HN 0.407 nan 8.310 nan 0.000 0.476 125 S N 0.971 116.670 115.700 -0.002 0.000 2.568 125 S HA 0.864 5.334 4.470 -0.000 0.000 0.302 125 S C -0.882 173.696 174.600 -0.036 0.000 1.082 125 S CA -0.701 57.447 58.200 -0.086 0.000 1.009 125 S CB 1.779 64.920 63.200 -0.099 0.000 1.069 125 S HN 0.822 nan 8.310 nan 0.000 0.500 126 T N 2.454 116.907 114.554 -0.169 0.000 2.949 126 T HA 0.458 4.808 4.350 -0.000 0.000 0.300 126 T C -1.059 173.539 174.700 -0.170 0.000 0.988 126 T CA -0.333 61.734 62.100 -0.055 0.000 0.993 126 T CB 0.158 69.023 68.868 -0.004 0.000 0.984 126 T HN 0.364 nan 8.240 nan 0.000 0.442 127 F N 2.028 121.922 119.950 -0.092 0.000 2.385 127 F HA 0.713 5.240 4.527 -0.000 0.000 0.336 127 F C 0.743 176.524 175.800 -0.032 0.000 1.100 127 F CA -0.656 57.312 58.000 -0.053 0.000 1.116 127 F CB 1.120 40.099 39.000 -0.035 0.000 1.166 127 F HN 0.619 nan 8.300 nan 0.000 0.511 128 A N 1.828 124.813 122.820 0.275 0.000 2.414 128 A HA 0.886 5.206 4.320 -0.000 0.000 0.306 128 A C -1.371 176.472 177.584 0.432 0.000 1.054 128 A CA -0.716 51.511 52.037 0.316 0.000 0.724 128 A CB 1.233 20.354 19.000 0.202 0.000 1.267 128 A HN 0.901 nan 8.150 nan 0.000 0.418 129 A N 1.803 124.938 122.820 0.526 0.000 2.331 129 A HA 0.759 5.079 4.320 -0.000 0.000 0.320 129 A C -0.764 177.059 177.584 0.399 0.000 1.138 129 A CA -0.372 51.966 52.037 0.502 0.000 0.790 129 A CB 0.466 19.794 19.000 0.547 0.000 1.206 129 A HN 0.733 nan 8.150 nan 0.000 0.470 130 I N 2.179 122.999 120.570 0.417 0.000 2.355 130 I HA 0.492 4.662 4.170 -0.000 0.000 0.288 130 I C 0.410 176.817 176.117 0.484 0.000 0.999 130 I CA -0.254 61.271 61.300 0.374 0.000 1.163 130 I CB 1.925 40.096 38.000 0.285 0.000 1.316 130 I HN 0.690 nan 8.210 nan 0.000 0.454 131 A N 8.190 131.247 122.820 0.395 0.000 2.644 131 A HA 0.573 4.893 4.320 -0.000 0.000 0.343 131 A C -2.099 175.658 177.584 0.288 0.000 1.324 131 A CA -1.411 50.878 52.037 0.420 0.000 0.846 131 A CB 0.194 19.461 19.000 0.446 0.000 1.128 131 A HN 0.435 nan 8.150 nan 0.000 0.484 132 P HA -0.141 nan 4.420 nan 0.000 0.215 132 P C 1.280 178.659 177.300 0.133 0.000 1.157 132 P CA 1.477 64.683 63.100 0.177 0.000 0.868 132 P CB 0.249 32.062 31.700 0.188 0.000 0.788 133 S N -1.204 114.566 115.700 0.117 0.000 2.805 133 S HA 0.082 4.552 4.470 -0.000 0.000 0.230 133 S C 1.158 175.826 174.600 0.113 0.000 0.968 133 S CA 0.668 58.915 58.200 0.079 0.000 0.976 133 S CB -0.808 62.401 63.200 0.015 0.000 0.787 133 S HN 0.133 nan 8.310 nan 0.000 0.533 134 L N -1.174 120.136 121.223 0.146 0.000 3.500 134 L HA 0.279 4.619 4.340 -0.000 0.000 0.320 134 L C 1.296 178.251 176.870 0.140 0.000 1.205 134 L CA 0.120 55.053 54.840 0.155 0.000 1.117 134 L CB 0.094 42.273 42.059 0.201 0.000 1.542 134 L HN 0.347 nan 8.230 nan 0.000 0.622 135 G N 1.886 110.764 108.800 0.130 0.000 2.225 135 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.267 135 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.267 135 G C -0.079 174.894 174.900 0.122 0.000 1.024 135 G CA 0.599 45.764 45.100 0.109 0.000 0.784 135 G HN 0.244 nan 8.290 nan 0.000 0.507 136 L N -0.892 120.426 121.223 0.159 0.000 2.323 136 L HA 0.782 5.122 4.340 -0.000 0.000 0.265 136 L C 0.300 177.293 176.870 0.204 0.000 1.012 136 L CA -1.321 53.623 54.840 0.173 0.000 0.820 136 L CB 2.151 44.316 42.059 0.178 0.000 1.334 136 L HN -0.011 nan 8.230 nan 0.000 0.427 137 I N 2.778 123.483 120.570 0.225 0.000 2.447 137 I HA 0.376 4.545 4.170 -0.000 0.000 0.287 137 I C -0.929 175.363 176.117 0.291 0.000 1.023 137 I CA -0.415 61.028 61.300 0.239 0.000 1.083 137 I CB 2.066 40.174 38.000 0.180 0.000 1.245 137 I HN 0.323 nan 8.210 nan 0.000 0.434 138 L N 7.009 128.422 121.223 0.317 0.000 2.287 138 L HA 0.554 4.894 4.340 -0.000 0.000 0.287 138 L C -0.532 176.600 176.870 0.436 0.000 1.022 138 L CA -0.892 54.168 54.840 0.367 0.000 0.814 138 L CB 1.701 43.968 42.059 0.347 0.000 1.217 138 L HN 0.243 nan 8.230 nan 0.000 0.420 139 V N 1.717 121.831 119.914 0.333 0.000 2.394 139 V HA 0.111 4.230 4.120 -0.000 0.000 0.282 139 V C 0.066 176.193 176.094 0.054 0.000 1.031 139 V CA -0.443 61.965 62.300 0.181 0.000 0.881 139 V CB 1.829 33.732 31.823 0.133 0.000 0.982 139 V HN 0.657 nan 8.190 nan 0.000 0.451 140 D N 3.679 123.910 120.400 -0.283 0.000 2.688 140 D HA 0.233 4.873 4.640 -0.000 0.000 0.228 140 D C -0.040 176.187 176.300 -0.122 0.000 1.116 140 D CA 0.628 54.320 54.000 -0.513 0.000 1.023 140 D CB 0.108 40.234 40.800 -1.123 0.000 1.100 140 D HN 0.541 nan 8.370 nan 0.000 0.487 141 S N 0.295 116.001 115.700 0.010 0.000 2.547 141 S HA 0.631 5.101 4.470 -0.000 0.000 0.270 141 S C 0.342 174.995 174.600 0.089 0.000 1.150 141 S CA -0.130 58.103 58.200 0.056 0.000 0.850 141 S CB 1.216 64.451 63.200 0.058 0.000 1.118 141 S HN 0.148 nan 8.310 nan 0.000 0.461 142 A N 1.932 124.803 122.820 0.084 0.000 1.997 142 A HA 0.392 4.712 4.320 -0.000 0.000 0.212 142 A C 1.160 178.790 177.584 0.076 0.000 1.178 142 A CA 0.755 52.845 52.037 0.087 0.000 0.698 142 A CB -0.514 18.535 19.000 0.082 0.000 0.842 142 A HN 0.980 nan 8.150 nan 0.000 0.458 143 S N 0.150 115.890 115.700 0.067 0.000 2.481 143 S HA 0.453 4.923 4.470 -0.000 0.000 0.276 143 S C 1.183 175.825 174.600 0.070 0.000 1.247 143 S CA 0.050 58.284 58.200 0.057 0.000 1.053 143 S CB 1.053 64.278 63.200 0.042 0.000 0.925 143 S HN 0.677 nan 8.310 nan 0.000 0.491 144 A N 5.386 128.250 122.820 0.072 0.000 1.969 144 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 144 A C 2.027 179.654 177.584 0.071 0.000 1.169 144 A CA 1.743 53.841 52.037 0.102 0.000 0.635 144 A CB -0.559 18.492 19.000 0.086 0.000 0.810 144 A HN 0.834 nan 8.150 nan 0.000 0.445 145 K N 0.647 121.067 120.400 0.033 0.000 2.002 145 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 145 K C 1.840 178.426 176.600 -0.023 0.000 1.048 145 K CA 1.916 58.202 56.287 -0.001 0.000 0.930 145 K CB -0.265 32.228 32.500 -0.012 0.000 0.714 145 K HN 0.266 nan 8.250 nan 0.000 0.438 146 K N 0.556 120.952 120.400 -0.006 0.000 2.059 146 K HA -0.162 4.158 4.320 -0.000 0.000 0.212 146 K C 2.222 178.816 176.600 -0.010 0.000 1.050 146 K CA 1.718 58.001 56.287 -0.008 0.000 0.927 146 K CB -0.855 31.663 32.500 0.030 0.000 0.714 146 K HN 0.342 nan 8.250 nan 0.000 0.447 147 A N 2.144 124.971 122.820 0.012 0.000 1.902 147 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 147 A C 2.063 179.580 177.584 -0.111 0.000 1.181 147 A CA 1.522 53.540 52.037 -0.032 0.000 0.623 147 A CB -0.291 18.735 19.000 0.042 0.000 0.818 147 A HN 0.334 nan 8.150 nan 0.000 0.443 148 E N 0.338 120.500 120.200 -0.064 0.000 2.153 148 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 148 E C 1.273 177.810 176.600 -0.104 0.000 0.988 148 E CA 1.338 57.692 56.400 -0.077 0.000 0.811 148 E CB -0.436 29.247 29.700 -0.027 0.000 0.746 148 E HN 0.574 nan 8.360 nan 0.000 0.466 149 D N 1.044 121.358 120.400 -0.142 0.000 2.144 149 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 149 D C 1.915 178.109 176.300 -0.176 0.000 0.978 149 D CA 0.361 54.194 54.000 -0.278 0.000 0.833 149 D CB -0.191 40.318 40.800 -0.484 0.000 0.961 149 D HN 0.092 nan 8.370 nan 0.000 0.470 150 L N 0.624 121.837 121.223 -0.015 0.000 2.044 150 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 150 L C 2.041 178.973 176.870 0.102 0.000 1.075 150 L CA 1.261 56.177 54.840 0.127 0.000 0.747 150 L CB -0.928 41.190 42.059 0.098 0.000 0.903 150 L HN 0.055 nan 8.230 nan 0.000 0.435 151 L N -0.539 120.670 121.223 -0.023 0.000 2.083 151 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 151 L C 2.602 179.475 176.870 0.006 0.000 1.083 151 L CA 1.098 55.910 54.840 -0.048 0.000 0.752 151 L CB -0.626 41.318 42.059 -0.192 0.000 0.899 151 L HN 0.214 nan 8.230 nan 0.000 0.433 152 S N -0.836 114.858 115.700 -0.008 0.000 2.355 152 S HA -0.152 4.318 4.470 -0.000 0.000 0.222 152 S C 2.034 176.666 174.600 0.054 0.000 1.031 152 S CA 1.793 59.993 58.200 0.000 0.000 0.993 152 S CB -0.165 63.009 63.200 -0.043 0.000 0.859 152 S HN 0.438 nan 8.310 nan 0.000 0.453 153 T N 2.536 117.150 114.554 0.100 0.000 2.821 153 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 153 T C 1.729 176.619 174.700 0.317 0.000 1.046 153 T CA 0.930 63.144 62.100 0.191 0.000 1.139 153 T CB -0.338 68.647 68.868 0.195 0.000 0.871 153 T HN 0.193 nan 8.240 nan 0.000 0.454 154 L N 1.467 122.895 121.223 0.342 0.000 2.056 154 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 154 L C 2.471 179.390 176.870 0.081 0.000 1.078 154 L CA 1.701 56.678 54.840 0.227 0.000 0.749 154 L CB -0.543 41.609 42.059 0.155 0.000 0.901 154 L HN 0.047 nan 8.230 nan 0.000 0.433 155 R N -0.512 120.026 120.500 0.064 0.000 2.081 155 R HA -0.216 4.124 4.340 -0.000 0.000 0.235 155 R C 2.309 178.628 176.300 0.032 0.000 1.131 155 R CA 1.765 57.883 56.100 0.028 0.000 0.960 155 R CB -0.281 30.030 30.300 0.019 0.000 0.856 155 R HN 0.585 nan 8.270 nan 0.000 0.436 156 E N -0.235 119.998 120.200 0.055 0.000 2.051 156 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 156 E C 1.784 178.414 176.600 0.049 0.000 0.991 156 E CA 1.371 57.801 56.400 0.051 0.000 0.799 156 E CB -0.131 29.610 29.700 0.067 0.000 0.748 156 E HN 0.495 nan 8.360 nan 0.000 0.449 157 A N 0.334 123.199 122.820 0.076 0.000 1.972 157 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 157 A C 2.043 179.616 177.584 -0.018 0.000 1.169 157 A CA 1.045 53.105 52.037 0.040 0.000 0.635 157 A CB -0.299 18.728 19.000 0.044 0.000 0.810 157 A HN 0.302 nan 8.150 nan 0.000 0.446 158 L N -2.783 118.424 121.223 -0.027 0.000 2.463 158 L HA 0.272 4.612 4.340 -0.000 0.000 0.219 158 L C 1.940 178.793 176.870 -0.028 0.000 1.088 158 L CA 0.645 55.458 54.840 -0.046 0.000 0.849 158 L CB 0.148 42.170 42.059 -0.062 0.000 1.012 158 L HN 0.574 nan 8.230 nan 0.000 0.468 159 G N 0.083 108.875 108.800 -0.013 0.000 2.397 159 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.211 159 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.211 159 G C 0.289 175.185 174.900 -0.007 0.000 1.077 159 G CA 0.108 45.203 45.100 -0.009 0.000 0.649 159 G HN 0.464 nan 8.290 nan 0.000 0.511 160 S N -1.012 114.682 115.700 -0.010 0.000 2.537 160 S HA 0.724 5.194 4.470 -0.000 0.000 0.271 160 S C -1.546 173.050 174.600 -0.007 0.000 1.148 160 S CA -0.237 57.960 58.200 -0.006 0.000 0.868 160 S CB 2.247 65.444 63.200 -0.006 0.000 1.115 160 S HN 1.578 nan 8.310 nan 0.000 0.461 161 L N 2.014 123.237 121.223 0.000 0.000 2.529 161 L HA 0.569 4.909 4.340 -0.000 0.000 0.258 161 L C -2.968 173.910 176.870 0.014 0.000 1.032 161 L CA -1.293 53.549 54.840 0.003 0.000 0.899 161 L CB 1.507 43.568 42.059 0.003 0.000 1.174 161 L HN 0.564 nan 8.230 nan 0.000 0.458 162 P HA 0.331 nan 4.420 nan 0.000 0.268 162 P C -1.182 176.141 177.300 0.039 0.000 1.541 162 P CA -0.049 63.065 63.100 0.023 0.000 1.093 162 P CB 0.515 32.224 31.700 0.016 0.000 1.551 163 V N 0.953 120.901 119.914 0.056 0.000 3.049 163 V HA 0.688 4.808 4.120 -0.000 0.000 0.309 163 V C -0.695 175.468 176.094 0.114 0.000 1.148 163 V CA -1.143 61.213 62.300 0.095 0.000 0.990 163 V CB 2.968 34.874 31.823 0.139 0.000 1.039 163 V HN 0.179 nan 8.190 nan 0.000 0.430 164 R N 2.367 122.932 120.500 0.108 0.000 2.795 164 R HA 0.666 5.006 4.340 -0.000 0.000 0.275 164 R C -2.939 173.372 176.300 0.019 0.000 0.981 164 R CA -1.945 54.199 56.100 0.074 0.000 0.917 164 R CB 2.872 33.177 30.300 0.008 0.000 1.202 164 R HN 0.630 nan 8.270 nan 0.000 0.469 165 P HA -0.002 nan 4.420 nan 0.000 0.272 165 P C -0.465 176.653 177.300 -0.304 0.000 1.223 165 P CA -0.490 62.353 63.100 -0.429 0.000 0.784 165 P CB 0.649 32.124 31.700 -0.375 0.000 0.923 166 L N 2.237 123.242 121.223 -0.364 0.000 2.506 166 L HA 0.225 4.565 4.340 -0.000 0.000 0.281 166 L C 0.097 176.815 176.870 -0.253 0.000 1.228 166 L CA 1.201 55.856 54.840 -0.309 0.000 0.850 166 L CB -0.055 41.810 42.059 -0.323 0.000 1.110 166 L HN 0.664 nan 8.230 nan 0.000 0.496 167 S N 3.948 119.498 115.700 -0.249 0.000 2.537 167 S HA 0.773 5.243 4.470 -0.000 0.000 0.270 167 S C -0.728 173.752 174.600 -0.199 0.000 1.142 167 S CA -0.282 57.806 58.200 -0.186 0.000 0.870 167 S CB 1.125 64.241 63.200 -0.140 0.000 1.112 167 S HN 1.190 nan 8.310 nan 0.000 0.466 168 V N 0.372 120.193 119.914 -0.155 0.000 3.019 168 V HA 0.639 4.759 4.120 -0.000 0.000 0.317 168 V C 0.994 177.030 176.094 -0.097 0.000 1.094 168 V CA -1.104 61.115 62.300 -0.135 0.000 1.000 168 V CB 1.328 33.085 31.823 -0.110 0.000 1.060 168 V HN 0.991 nan 8.190 nan 0.000 0.443 169 K N 0.644 120.999 120.400 -0.075 0.000 2.209 169 K HA 0.101 4.421 4.320 -0.000 0.000 0.204 169 K C 0.216 176.785 176.600 -0.052 0.000 1.048 169 K CA 1.063 57.316 56.287 -0.056 0.000 0.940 169 K CB -0.012 32.465 32.500 -0.038 0.000 0.729 169 K HN 0.570 nan 8.250 nan 0.000 0.451 170 V N 1.199 121.077 119.914 -0.060 0.000 2.513 170 V HA 0.323 4.443 4.120 -0.000 0.000 0.299 170 V C -0.255 175.787 176.094 -0.087 0.000 1.035 170 V CA -1.350 60.912 62.300 -0.065 0.000 0.889 170 V CB 1.472 33.258 31.823 -0.061 0.000 0.988 170 V HN 0.159 nan 8.190 nan 0.000 0.440 171 A N 6.328 129.099 122.820 -0.081 0.000 2.553 171 A HA 0.226 4.546 4.320 -0.000 0.000 0.258 171 A C -1.211 176.298 177.584 -0.125 0.000 1.069 171 A CA -0.380 51.603 52.037 -0.090 0.000 0.767 171 A CB -0.364 18.592 19.000 -0.073 0.000 0.997 171 A HN 0.765 nan 8.150 nan 0.000 0.512 172 P HA -0.211 nan 4.420 nan 0.000 0.216 172 P C 1.830 179.006 177.300 -0.206 0.000 1.157 172 P CA 2.048 65.039 63.100 -0.182 0.000 0.880 172 P CB 0.071 31.686 31.700 -0.141 0.000 0.791 173 T N -1.670 112.798 114.554 -0.145 0.000 2.803 173 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 173 T C 1.680 176.294 174.700 -0.143 0.000 1.052 173 T CA 1.578 63.601 62.100 -0.129 0.000 1.136 173 T CB -0.777 68.042 68.868 -0.083 0.000 0.864 173 T HN 0.013 nan 8.240 nan 0.000 0.467 174 A N 0.249 122.986 122.820 -0.139 0.000 1.897 174 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 174 A C 2.602 180.069 177.584 -0.194 0.000 1.181 174 A CA 2.132 54.093 52.037 -0.126 0.000 0.620 174 A CB -1.186 17.758 19.000 -0.093 0.000 0.821 174 A HN 0.540 nan 8.150 nan 0.000 0.443 175 T N 0.781 115.161 114.554 -0.290 0.000 2.674 175 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 175 T C 1.834 176.067 174.700 -0.778 0.000 1.039 175 T CA 1.555 63.348 62.100 -0.511 0.000 1.150 175 T CB -0.454 68.061 68.868 -0.588 0.000 0.864 175 T HN 0.357 nan 8.240 nan 0.000 0.427 176 L N 0.714 121.556 121.223 -0.635 0.000 2.079 176 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 176 L C 2.893 179.641 176.870 -0.205 0.000 1.081 176 L CA 1.258 55.809 54.840 -0.482 0.000 0.752 176 L CB -1.165 40.728 42.059 -0.278 0.000 0.896 176 L HN 0.308 nan 8.230 nan 0.000 0.433 177 T N -1.248 113.212 114.554 -0.156 0.000 2.821 177 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 177 T C 1.504 176.199 174.700 -0.007 0.000 1.046 177 T CA 1.699 63.767 62.100 -0.054 0.000 1.139 177 T CB -0.250 68.590 68.868 -0.047 0.000 0.871 177 T HN 0.367 nan 8.240 nan 0.000 0.454 178 D N -0.293 120.082 120.400 -0.042 0.000 2.144 178 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 178 D C 1.613 178.041 176.300 0.213 0.000 0.978 178 D CA 0.855 54.886 54.000 0.051 0.000 0.833 178 D CB -0.071 40.743 40.800 0.023 0.000 0.961 178 D HN 0.354 nan 8.370 nan 0.000 0.470 179 W N 0.382 121.686 121.300 0.008 0.000 2.381 179 W HA -0.035 4.625 4.660 -0.000 0.000 0.301 179 W C 2.423 178.954 176.519 0.020 0.000 1.205 179 W CA 0.383 57.737 57.345 0.015 0.000 1.285 179 W CB -1.181 28.284 29.460 0.009 0.000 1.133 179 W HN -0.067 nan 8.180 nan 0.000 0.521 180 V N 0.574 120.636 119.914 0.247 0.000 2.307 180 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 180 V C 2.356 178.519 176.094 0.115 0.000 1.045 180 V CA 2.211 64.602 62.300 0.151 0.000 1.024 180 V CB -0.978 30.908 31.823 0.104 0.000 0.651 180 V HN -0.033 nan 8.190 nan 0.000 0.449 181 K N 1.363 121.825 120.400 0.104 0.000 2.032 181 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 181 K C 2.056 178.704 176.600 0.080 0.000 1.048 181 K CA 2.417 58.752 56.287 0.080 0.000 0.927 181 K CB -0.794 31.746 32.500 0.066 0.000 0.712 181 K HN 0.644 nan 8.250 nan 0.000 0.441 182 T N -2.114 112.501 114.554 0.101 0.000 3.100 182 T HA 0.054 4.404 4.350 -0.000 0.000 0.253 182 T C 0.327 175.072 174.700 0.074 0.000 1.118 182 T CA 0.306 62.457 62.100 0.085 0.000 1.058 182 T CB -0.243 68.685 68.868 0.100 0.000 0.953 182 T HN 0.408 nan 8.240 nan 0.000 0.515 183 Q N 0.181 120.033 119.800 0.086 0.000 2.481 183 Q HA -0.168 4.172 4.340 -0.000 0.000 0.258 183 Q C -0.789 175.238 176.000 0.046 0.000 0.961 183 Q CA 0.986 56.830 55.803 0.068 0.000 1.121 183 Q CB -1.560 27.207 28.738 0.049 0.000 1.503 183 Q HN 0.751 nan 8.270 nan 0.000 0.544 184 E N -0.837 119.387 120.200 0.041 0.000 2.275 184 E HA 0.693 5.043 4.350 -0.000 0.000 0.270 184 E C -1.018 175.472 176.600 -0.184 0.000 0.882 184 E CA -0.109 56.268 56.400 -0.040 0.000 0.758 184 E CB 1.898 31.586 29.700 -0.018 0.000 1.195 184 E HN 0.262 nan 8.360 nan 0.000 0.419 185 A N 1.717 124.279 122.820 -0.431 0.000 2.311 185 A HA 0.806 5.126 4.320 -0.000 0.000 0.334 185 A C -0.296 176.761 177.584 -0.878 0.000 1.139 185 A CA -0.478 50.831 52.037 -1.212 0.000 0.830 185 A CB 1.144 19.497 19.000 -1.079 0.000 1.234 185 A HN 0.654 nan 8.150 nan 0.000 0.483 186 A N 0.547 122.754 122.820 -1.021 0.000 2.488 186 A HA 0.501 4.821 4.320 -0.000 0.000 0.249 186 A C 1.118 178.653 177.584 -0.081 0.000 1.083 186 A CA 0.310 52.195 52.037 -0.253 0.000 0.768 186 A CB -0.756 18.299 19.000 0.091 0.000 1.017 186 A HN 2.489 nan 8.150 nan 0.000 0.496 187 G N 2.648 111.430 108.800 -0.030 0.000 2.900 187 G HA2 0.035 3.994 3.960 -0.000 0.000 0.335 187 G HA3 0.035 3.994 3.960 -0.000 0.000 0.335 187 G C 0.290 175.172 174.900 -0.029 0.000 0.194 187 G CA 1.057 46.150 45.100 -0.012 0.000 1.227 187 G HN 1.159 nan 8.290 nan 0.000 0.354 188 D N -0.113 120.160 120.400 -0.213 0.000 2.553 188 D HA -0.180 4.460 4.640 -0.000 0.000 0.178 188 D C 0.546 176.461 176.300 -0.641 0.000 0.951 188 D CA 1.566 55.337 54.000 -0.382 0.000 1.015 188 D CB -1.457 39.163 40.800 -0.301 0.000 1.069 188 D HN 0.510 nan 8.370 nan 0.000 0.463 189 F N 0.909 120.655 119.950 -0.339 0.000 2.375 189 F HA 0.459 4.986 4.527 -0.000 0.000 0.333 189 F C 1.281 176.658 175.800 -0.706 0.000 1.104 189 F CA 0.180 58.004 58.000 -0.294 0.000 1.149 189 F CB 0.876 39.733 39.000 -0.238 0.000 1.190 189 F HN -0.128 nan 8.300 nan 0.000 0.533 190 H N 1.074 120.210 119.070 0.110 0.000 2.771 190 H HA 0.352 4.908 4.556 -0.000 0.000 0.361 190 H C -1.098 174.251 175.328 0.035 0.000 1.108 190 H CA -0.788 55.267 56.048 0.012 0.000 1.201 190 H CB 1.858 31.611 29.762 -0.015 0.000 1.681 190 H HN 0.233 nan 8.280 nan 0.000 0.534 191 V N 4.978 124.969 119.914 0.128 0.000 2.432 191 V HA 0.100 4.219 4.120 -0.000 0.000 0.271 191 V C 1.087 177.230 176.094 0.081 0.000 1.046 191 V CA -0.091 62.275 62.300 0.110 0.000 0.945 191 V CB 0.269 32.159 31.823 0.112 0.000 0.992 191 V HN 0.493 nan 8.190 nan 0.000 0.471 192 L N 3.728 124.983 121.223 0.053 0.000 2.928 192 L HA 0.408 4.748 4.340 -0.000 0.000 0.162 192 L C 0.853 177.736 176.870 0.022 0.000 1.540 192 L CA -0.418 54.437 54.840 0.026 0.000 1.836 192 L CB 0.088 42.148 42.059 0.003 0.000 2.626 192 L HN 0.744 nan 8.230 nan 0.000 0.549 193 D N -1.414 118.992 120.400 0.011 0.000 2.772 193 D HA 0.178 4.818 4.640 -0.000 0.000 0.272 193 D C -0.302 176.004 176.300 0.010 0.000 1.314 193 D CA -0.169 53.838 54.000 0.012 0.000 0.835 193 D CB 0.378 41.182 40.800 0.007 0.000 1.080 193 D HN 0.443 nan 8.370 nan 0.000 0.482 194 E N -0.246 119.960 120.200 0.010 0.000 2.352 194 E HA 0.553 4.902 4.350 -0.000 0.000 0.280 194 E C -1.560 175.043 176.600 0.005 0.000 0.930 194 E CA -0.838 55.565 56.400 0.006 0.000 0.765 194 E CB 1.940 31.642 29.700 0.002 0.000 1.219 194 E HN 0.371 nan 8.360 nan 0.000 0.434 195 C N 1.328 120.628 119.300 -0.000 0.000 3.275 195 C HA 0.701 5.161 4.460 -0.000 0.000 0.340 195 C C -1.385 173.594 174.990 -0.019 0.000 1.366 195 C CA -0.816 58.200 59.018 -0.004 0.000 1.227 195 C CB 1.188 28.930 27.740 0.003 0.000 1.512 195 C HN 0.957 nan 8.230 nan 0.000 0.461 196 E N 0.950 121.136 120.200 -0.023 0.000 2.224 196 E HA 0.747 5.097 4.350 -0.000 0.000 0.265 196 E C -1.531 175.041 176.600 -0.047 0.000 0.878 196 E CA -0.554 55.824 56.400 -0.037 0.000 0.759 196 E CB 1.355 31.039 29.700 -0.026 0.000 1.164 196 E HN 0.722 nan 8.360 nan 0.000 0.414 197 L N 4.652 125.831 121.223 -0.073 0.000 2.346 197 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 197 L C -0.282 176.545 176.870 -0.073 0.000 1.007 197 L CA -0.970 53.824 54.840 -0.078 0.000 0.818 197 L CB 1.775 43.757 42.059 -0.128 0.000 1.284 197 L HN 0.610 nan 8.230 nan 0.000 0.424 198 R N -0.198 120.274 120.500 -0.046 0.000 2.604 198 R HA 0.415 4.755 4.340 -0.000 0.000 0.270 198 R C -1.669 174.621 176.300 -0.016 0.000 1.052 198 R CA -0.963 55.112 56.100 -0.041 0.000 0.902 198 R CB 1.544 31.815 30.300 -0.049 0.000 1.233 198 R HN 0.359 nan 8.270 nan 0.000 0.455 199 D N 2.048 122.436 120.400 -0.020 0.000 2.449 199 D HA -0.033 4.606 4.640 -0.000 0.000 0.236 199 D C 1.022 177.344 176.300 0.035 0.000 1.149 199 D CA 0.879 54.899 54.000 0.034 0.000 0.878 199 D CB 1.609 42.361 40.800 -0.080 0.000 1.198 199 D HN 0.728 nan 8.370 nan 0.000 0.446 200 T N -0.335 114.315 114.554 0.160 0.000 2.867 200 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 200 T C 0.992 175.769 174.700 0.129 0.000 1.057 200 T CA 0.929 63.099 62.100 0.116 0.000 1.136 200 T CB -0.483 68.448 68.868 0.105 0.000 0.874 200 T HN 0.652 nan 8.240 nan 0.000 0.466 201 H N 0.079 119.147 119.070 -0.002 0.000 2.546 201 H HA 0.577 5.133 4.556 0.000 0.000 0.365 201 H C 0.222 175.549 175.328 -0.003 0.000 1.220 201 H CA -1.220 54.827 56.048 -0.002 0.000 1.386 201 H CB 0.494 30.256 29.762 0.001 0.000 1.510 201 H HN -0.104 nan 8.280 nan 0.000 0.591 202 E N 0.849 121.063 120.200 0.024 0.000 2.502 202 E HA -0.136 4.214 4.350 -0.000 0.000 0.261 202 E C 0.198 176.736 176.600 -0.104 0.000 0.974 202 E CA 0.519 56.898 56.400 -0.035 0.000 0.936 202 E CB -0.016 29.692 29.700 0.013 0.000 0.926 202 E HN 0.820 nan 8.360 nan 0.000 0.459 203 D N 1.619 121.958 120.400 -0.101 0.000 3.068 203 D HA -0.207 4.433 4.640 -0.000 0.000 0.219 203 D C 0.702 176.897 176.300 -0.174 0.000 1.175 203 D CA 1.300 55.241 54.000 -0.099 0.000 0.942 203 D CB -1.023 39.748 40.800 -0.049 0.000 1.127 203 D HN 0.637 nan 8.370 nan 0.000 0.404 204 G N -0.009 108.572 108.800 -0.365 0.000 2.714 204 G HA2 0.327 4.287 3.960 -0.000 0.000 0.278 204 G HA3 0.327 4.287 3.960 -0.000 0.000 0.278 204 G C 0.809 175.561 174.900 -0.248 0.000 1.288 204 G CA 0.300 45.047 45.100 -0.589 0.000 1.027 204 G HN 0.307 nan 8.290 nan 0.000 0.607 205 G N -2.623 106.078 108.800 -0.165 0.000 2.535 205 G HA2 0.525 4.485 3.960 -0.000 0.000 0.303 205 G HA3 0.525 4.485 3.960 -0.000 0.000 0.303 205 G C -1.197 173.663 174.900 -0.065 0.000 1.237 205 G CA -0.368 44.689 45.100 -0.071 0.000 0.986 205 G HN 0.901 nan 8.290 nan 0.000 0.494 206 V N -0.408 119.475 119.914 -0.052 0.000 2.668 206 V HA 0.438 4.558 4.120 -0.000 0.000 0.304 206 V C -0.688 175.364 176.094 -0.071 0.000 1.071 206 V CA -0.624 61.640 62.300 -0.060 0.000 0.894 206 V CB 1.853 33.646 31.823 -0.050 0.000 1.008 206 V HN 0.522 nan 8.190 nan 0.000 0.425 207 V N 5.495 125.342 119.914 -0.112 0.000 2.407 207 V HA 0.536 4.656 4.120 -0.000 0.000 0.291 207 V C -0.085 175.939 176.094 -0.117 0.000 1.018 207 V CA -0.652 61.557 62.300 -0.151 0.000 0.842 207 V CB 1.815 33.425 31.823 -0.355 0.000 0.996 207 V HN 0.812 nan 8.190 nan 0.000 0.426 208 R N 3.540 123.997 120.500 -0.072 0.000 2.295 208 R HA 0.654 4.994 4.340 -0.000 0.000 0.324 208 R C -1.158 175.121 176.300 -0.035 0.000 0.968 208 R CA -0.414 55.658 56.100 -0.047 0.000 0.837 208 R CB 1.526 31.810 30.300 -0.028 0.000 1.133 208 R HN 0.677 nan 8.270 nan 0.000 0.450 209 C N 2.728 122.011 119.300 -0.029 0.000 2.456 209 C HA 0.600 5.060 4.460 -0.000 0.000 0.325 209 C C -0.258 174.730 174.990 -0.003 0.000 1.217 209 C CA -1.012 57.999 59.018 -0.012 0.000 1.687 209 C CB 0.928 28.664 27.740 -0.008 0.000 2.270 209 C HN 0.853 nan 8.230 nan 0.000 0.499 210 K N 0.728 121.130 120.400 0.003 0.000 2.498 210 K HA 0.690 5.010 4.320 -0.000 0.000 0.254 210 K C -0.383 176.221 176.600 0.007 0.000 0.933 210 K CA -0.695 55.595 56.287 0.005 0.000 0.806 210 K CB 0.953 33.456 32.500 0.005 0.000 1.301 210 K HN 0.632 nan 8.250 nan 0.000 0.432 211 R N 0.713 121.217 120.500 0.007 0.000 3.422 211 R HA -0.161 4.179 4.340 -0.000 0.000 0.267 211 R C -0.785 175.520 176.300 0.009 0.000 1.074 211 R CA 0.702 56.806 56.100 0.006 0.000 0.718 211 R CB -1.209 29.094 30.300 0.005 0.000 1.157 211 R HN 0.688 nan 8.270 nan 0.000 0.440 212 Q N 0.522 120.329 119.800 0.012 0.000 2.365 212 Q HA 0.143 4.483 4.340 -0.000 0.000 0.269 212 Q C -0.866 175.146 176.000 0.020 0.000 1.061 212 Q CA -0.760 55.054 55.803 0.018 0.000 0.816 212 Q CB 2.086 30.838 28.738 0.022 0.000 1.325 212 Q HN 0.032 nan 8.270 nan 0.000 0.446 213 D N 2.744 123.156 120.400 0.021 0.000 2.338 213 D HA 0.036 4.676 4.640 -0.000 0.000 0.255 213 D C 0.517 176.836 176.300 0.032 0.000 1.237 213 D CA -0.188 53.825 54.000 0.023 0.000 0.883 213 D CB 0.701 41.512 40.800 0.019 0.000 1.087 213 D HN 0.287 nan 8.370 nan 0.000 0.485 214 L N 3.594 124.839 121.223 0.036 0.000 2.622 214 L HA 0.012 4.352 4.340 -0.000 0.000 0.233 214 L C 2.189 179.089 176.870 0.050 0.000 1.156 214 L CA 0.962 55.830 54.840 0.047 0.000 0.866 214 L CB -1.168 40.923 42.059 0.052 0.000 0.980 214 L HN 0.599 nan 8.230 nan 0.000 0.448 215 T N -5.115 109.463 114.554 0.041 0.000 3.069 215 T HA 0.124 4.474 4.350 -0.000 0.000 0.252 215 T C 0.892 175.613 174.700 0.034 0.000 1.053 215 T CA 0.158 62.282 62.100 0.039 0.000 0.964 215 T CB -0.218 68.669 68.868 0.032 0.000 1.005 215 T HN 0.265 nan 8.240 nan 0.000 0.532 216 S N 0.786 116.507 115.700 0.035 0.000 2.592 216 S HA 0.260 4.729 4.470 -0.000 0.000 0.271 216 S C 1.049 175.667 174.600 0.031 0.000 1.326 216 S CA -0.683 57.535 58.200 0.030 0.000 1.024 216 S CB 1.176 64.394 63.200 0.030 0.000 0.921 216 S HN 0.396 nan 8.310 nan 0.000 0.527 217 E N 1.459 121.671 120.200 0.020 0.000 2.187 217 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 217 E C 1.756 178.361 176.600 0.007 0.000 1.004 217 E CA 1.942 58.349 56.400 0.011 0.000 0.813 217 E CB -0.185 29.516 29.700 0.001 0.000 0.736 217 E HN 0.825 nan 8.360 nan 0.000 0.468 218 E N 0.431 120.641 120.200 0.016 0.000 2.038 218 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 218 E C 2.068 178.713 176.600 0.074 0.000 1.000 218 E CA 1.143 57.554 56.400 0.018 0.000 0.803 218 E CB -0.051 29.682 29.700 0.055 0.000 0.750 218 E HN 0.193 nan 8.360 nan 0.000 0.448 219 I N 1.189 121.829 120.570 0.117 0.000 2.226 219 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 219 I C 2.253 178.444 176.117 0.124 0.000 1.100 219 I CA 1.301 62.696 61.300 0.159 0.000 1.374 219 I CB -1.253 36.808 38.000 0.101 0.000 1.057 219 I HN 0.164 nan 8.210 nan 0.000 0.413 220 Q N 0.163 120.006 119.800 0.070 0.000 2.084 220 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 220 Q C 2.339 178.361 176.000 0.036 0.000 0.978 220 Q CA 1.235 57.069 55.803 0.052 0.000 0.844 220 Q CB -0.733 28.025 28.738 0.034 0.000 0.898 220 Q HN 0.365 nan 8.270 nan 0.000 0.426 221 L N 0.511 121.732 121.223 -0.003 0.000 2.141 221 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 221 L C 2.207 179.045 176.870 -0.053 0.000 1.094 221 L CA 1.748 56.558 54.840 -0.050 0.000 0.763 221 L CB -0.684 41.310 42.059 -0.108 0.000 0.908 221 L HN 0.251 nan 8.230 nan 0.000 0.437 222 H N -1.182 117.899 119.070 0.018 0.000 2.353 222 H HA -0.099 4.458 4.556 0.000 0.000 0.300 222 H C 2.154 177.494 175.328 0.020 0.000 1.090 222 H CA 1.825 57.885 56.048 0.020 0.000 1.327 222 H CB 0.048 29.822 29.762 0.019 0.000 1.383 222 H HN 0.230 nan 8.280 nan 0.000 0.508 223 L N 0.272 121.583 121.223 0.147 0.000 2.027 223 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 223 L C 2.905 179.810 176.870 0.058 0.000 1.074 223 L CA 2.084 56.977 54.840 0.088 0.000 0.745 223 L CB -1.215 40.886 42.059 0.071 0.000 0.898 223 L HN 0.397 nan 8.230 nan 0.000 0.433 224 T N -2.919 111.661 114.554 0.043 0.000 2.833 224 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 224 T C 1.795 176.508 174.700 0.023 0.000 1.054 224 T CA 0.976 63.091 62.100 0.025 0.000 1.135 224 T CB -0.487 68.388 68.868 0.013 0.000 0.869 224 T HN 0.222 nan 8.240 nan 0.000 0.466 225 A N 0.650 123.488 122.820 0.029 0.000 2.248 225 A HA 0.493 4.813 4.320 -0.000 0.000 0.210 225 A C 2.090 179.703 177.584 0.048 0.000 1.174 225 A CA 1.031 53.087 52.037 0.031 0.000 0.750 225 A CB -1.198 17.822 19.000 0.032 0.000 0.780 225 A HN 1.508 nan 8.150 nan 0.000 0.478 226 G N -1.584 107.249 108.800 0.054 0.000 2.211 226 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.201 226 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.201 226 G C 0.178 175.121 174.900 0.072 0.000 0.997 226 G CA 0.015 45.148 45.100 0.056 0.000 0.652 226 G HN 0.344 nan 8.290 nan 0.000 0.500 227 K N 0.608 121.059 120.400 0.085 0.000 2.355 227 K HA 0.514 4.834 4.320 -0.000 0.000 0.270 227 K C 0.534 177.155 176.600 0.035 0.000 1.003 227 K CA 0.068 56.394 56.287 0.064 0.000 0.957 227 K CB 0.963 33.501 32.500 0.063 0.000 0.939 227 K HN 0.353 nan 8.250 nan 0.000 0.482 228 L N 1.695 122.925 121.223 0.012 0.000 2.334 228 L HA 0.341 4.681 4.340 -0.000 0.000 0.273 228 L C -0.203 176.655 176.870 -0.021 0.000 1.013 228 L CA -1.353 53.483 54.840 -0.006 0.000 0.816 228 L CB 1.953 44.004 42.059 -0.013 0.000 1.278 228 L HN 0.169 nan 8.230 nan 0.000 0.431 229 V N 1.165 121.061 119.914 -0.030 0.000 2.405 229 V HA 0.041 4.161 4.120 -0.000 0.000 0.264 229 V C 1.086 177.151 176.094 -0.049 0.000 1.048 229 V CA 0.203 62.482 62.300 -0.035 0.000 0.966 229 V CB 0.938 32.742 31.823 -0.032 0.000 1.015 229 V HN 0.974 nan 8.190 nan 0.000 0.477 230 T N 3.399 117.929 114.554 -0.040 0.000 3.022 230 T HA 0.215 4.565 4.350 -0.000 0.000 0.250 230 T C 0.505 175.187 174.700 -0.029 0.000 1.060 230 T CA 0.456 62.532 62.100 -0.039 0.000 1.013 230 T CB 0.106 68.954 68.868 -0.034 0.000 0.982 230 T HN 0.677 nan 8.240 nan 0.000 0.508 231 Q N 0.462 120.249 119.800 -0.023 0.000 2.295 231 Q HA 0.587 4.927 4.340 -0.000 0.000 0.268 231 Q C -2.348 173.649 176.000 -0.005 0.000 1.010 231 Q CA -0.825 54.974 55.803 -0.007 0.000 0.856 231 Q CB 2.586 31.325 28.738 0.002 0.000 1.349 231 Q HN 0.264 nan 8.270 nan 0.000 0.412 232 L N 1.147 122.369 121.223 -0.000 0.000 2.464 232 L HA 0.482 4.822 4.340 -0.000 0.000 0.266 232 L C -0.991 175.857 176.870 -0.036 0.000 0.965 232 L CA -0.137 54.704 54.840 0.002 0.000 0.833 232 L CB 2.329 44.407 42.059 0.030 0.000 1.296 232 L HN 0.591 nan 8.230 nan 0.000 0.405 233 S N 5.183 120.860 115.700 -0.038 0.000 2.499 233 S HA 0.766 5.236 4.470 -0.000 0.000 0.275 233 S C -0.590 173.934 174.600 -0.125 0.000 1.257 233 S CA -0.207 57.942 58.200 -0.086 0.000 1.050 233 S CB -0.143 63.036 63.200 -0.036 0.000 0.937 233 S HN 0.552 nan 8.310 nan 0.000 0.490 234 L N 3.182 124.214 121.223 -0.319 0.000 2.376 234 L HA 0.862 5.202 4.340 -0.000 0.000 0.258 234 L C -0.406 176.355 176.870 -0.183 0.000 1.013 234 L CA -0.993 53.688 54.840 -0.264 0.000 0.822 234 L CB 2.167 44.012 42.059 -0.356 0.000 1.388 234 L HN 0.711 nan 8.230 nan 0.000 0.413 235 A N 0.382 123.268 122.820 0.110 0.000 2.365 235 A HA 0.681 5.001 4.320 -0.000 0.000 0.318 235 A C -2.231 175.597 177.584 0.407 0.000 1.091 235 A CA -0.316 51.858 52.037 0.228 0.000 0.763 235 A CB 1.284 20.373 19.000 0.148 0.000 1.248 235 A HN 0.701 nan 8.150 nan 0.000 0.442 236 W N 2.726 124.138 121.300 0.186 0.000 2.362 236 W HA 0.525 5.184 4.660 -0.000 0.000 0.316 236 W C 0.567 177.058 176.519 -0.047 0.000 1.024 236 W CA 0.704 58.021 57.345 -0.046 0.000 1.270 236 W CB 1.185 30.679 29.460 0.057 0.000 1.273 236 W HN 1.551 nan 8.180 nan 0.000 0.424 237 S N 3.280 118.572 115.700 -0.680 0.000 4.064 237 S HA -0.346 4.124 4.470 -0.000 0.000 0.625 237 S C 0.578 174.997 174.600 -0.302 0.000 2.010 237 S CA 2.101 59.911 58.200 -0.649 0.000 4.186 237 S CB -1.211 61.218 63.200 -1.285 0.000 0.211 237 S HN 0.899 nan 8.310 nan 0.000 0.605 238 D N 0.027 120.231 120.400 -0.326 0.000 2.563 238 D HA 0.331 4.971 4.640 -0.000 0.000 0.237 238 D C 0.859 177.061 176.300 -0.163 0.000 1.282 238 D CA -0.184 53.697 54.000 -0.198 0.000 0.816 238 D CB -0.050 40.646 40.800 -0.175 0.000 1.066 238 D HN 0.562 nan 8.370 nan 0.000 0.501 239 K N -0.142 120.148 120.400 -0.184 0.000 2.214 239 K HA 0.264 4.584 4.320 -0.000 0.000 0.201 239 K C 0.587 177.170 176.600 -0.028 0.000 1.049 239 K CA 0.569 56.812 56.287 -0.074 0.000 0.978 239 K CB 0.530 33.016 32.500 -0.024 0.000 0.842 239 K HN 0.179 nan 8.250 nan 0.000 0.474 240 L N -2.642 118.576 121.223 -0.008 0.000 2.654 240 L HA 0.571 4.911 4.340 -0.000 0.000 0.257 240 L C -0.905 175.992 176.870 0.045 0.000 1.093 240 L CA -0.893 53.877 54.840 -0.116 0.000 0.903 240 L CB 1.844 43.665 42.059 -0.397 0.000 1.520 240 L HN -0.032 nan 8.230 nan 0.000 0.402 241 S N -0.485 115.242 115.700 0.044 0.000 2.579 241 S HA 0.971 5.441 4.470 -0.000 0.000 0.272 241 S C -1.004 173.767 174.600 0.286 0.000 1.141 241 S CA -0.353 57.942 58.200 0.159 0.000 0.843 241 S CB 1.909 65.128 63.200 0.032 0.000 1.122 241 S HN 1.796 nan 8.310 nan 0.000 0.468 242 F N -1.855 118.133 119.950 0.063 0.000 2.900 242 F HA 0.745 5.272 4.527 0.000 0.000 0.321 242 F C -2.249 173.619 175.800 0.113 0.000 1.160 242 F CA -1.356 56.689 58.000 0.074 0.000 0.890 242 F CB 0.466 39.525 39.000 0.097 0.000 1.334 242 F HN 0.482 nan 8.300 nan 0.000 0.459 243 V N 2.852 122.869 119.914 0.172 0.000 2.417 243 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 243 V C -0.578 175.662 176.094 0.243 0.000 1.024 243 V CA -0.660 61.683 62.300 0.072 0.000 0.861 243 V CB 1.494 33.366 31.823 0.082 0.000 0.985 243 V HN 0.790 nan 8.190 nan 0.000 0.436 244 L N 5.372 126.689 121.223 0.156 0.000 2.296 244 L HA 0.579 4.919 4.340 -0.000 0.000 0.286 244 L C -0.476 176.452 176.870 0.098 0.000 1.023 244 L CA -0.422 54.563 54.840 0.243 0.000 0.812 244 L CB 1.740 43.973 42.059 0.290 0.000 1.223 244 L HN 0.877 nan 8.230 nan 0.000 0.421 245 D N 1.702 122.150 120.400 0.081 0.000 2.487 245 D HA 0.134 4.774 4.640 -0.000 0.000 0.262 245 D C 0.323 176.618 176.300 -0.008 0.000 1.130 245 D CA -0.567 53.449 54.000 0.027 0.000 1.038 245 D CB 0.802 41.620 40.800 0.029 0.000 1.142 245 D HN 0.536 nan 8.370 nan 0.000 0.575 246 D N -1.067 119.316 120.400 -0.029 0.000 2.378 246 D HA -0.090 4.550 4.640 -0.000 0.000 0.227 246 D C 0.603 176.874 176.300 -0.049 0.000 1.012 246 D CA 0.460 54.429 54.000 -0.052 0.000 0.905 246 D CB -0.076 40.690 40.800 -0.057 0.000 0.895 246 D HN 0.154 nan 8.370 nan 0.000 0.532 247 K N 0.287 120.668 120.400 -0.032 0.000 2.399 247 K HA 0.272 4.592 4.320 -0.000 0.000 0.204 247 K C 0.777 177.352 176.600 -0.042 0.000 1.023 247 K CA -0.436 55.829 56.287 -0.037 0.000 1.127 247 K CB 0.558 33.045 32.500 -0.022 0.000 0.856 247 K HN 0.196 nan 8.250 nan 0.000 0.514 248 L N -0.491 120.713 121.223 -0.031 0.000 4.560 248 L HA -0.237 4.103 4.340 -0.000 0.000 0.415 248 L C 0.203 177.080 176.870 0.011 0.000 1.123 248 L CA 0.517 55.344 54.840 -0.023 0.000 0.991 248 L CB -1.950 40.069 42.059 -0.067 0.000 2.127 248 L HN 0.123 nan 8.230 nan 0.000 0.765 249 A N 0.446 123.287 122.820 0.035 0.000 2.404 249 A HA 0.549 4.869 4.320 -0.000 0.000 0.273 249 A C 0.275 177.934 177.584 0.126 0.000 1.144 249 A CA -0.059 52.017 52.037 0.066 0.000 0.806 249 A CB 0.626 19.665 19.000 0.064 0.000 1.080 249 A HN 0.065 nan 8.150 nan 0.000 0.509 250 V N 5.078 125.074 119.914 0.138 0.000 2.353 250 V HA 0.165 4.285 4.120 -0.000 0.000 0.264 250 V C 0.410 176.635 176.094 0.219 0.000 1.049 250 V CA 0.133 62.556 62.300 0.205 0.000 0.896 250 V CB 0.095 31.973 31.823 0.091 0.000 1.025 250 V HN 0.920 nan 8.190 nan 0.000 0.475 251 K N 3.097 123.651 120.400 0.257 0.000 2.185 251 K HA 0.614 4.934 4.320 -0.000 0.000 0.240 251 K C 0.522 177.249 176.600 0.212 0.000 0.983 251 K CA -1.088 55.318 56.287 0.199 0.000 0.873 251 K CB 1.125 33.712 32.500 0.146 0.000 1.118 251 K HN 0.395 nan 8.250 nan 0.000 0.441 252 R N 1.329 121.925 120.500 0.160 0.000 3.322 252 R HA -0.202 4.138 4.340 -0.000 0.000 0.253 252 R C -0.888 175.500 176.300 0.147 0.000 0.987 252 R CA -0.164 56.017 56.100 0.135 0.000 0.666 252 R CB -1.088 29.274 30.300 0.104 0.000 1.072 252 R HN 0.397 nan 8.270 nan 0.000 0.447 253 L N 1.543 122.864 121.223 0.163 0.000 2.477 253 L HA 0.163 4.502 4.340 -0.000 0.000 0.272 253 L C 0.206 177.075 176.870 -0.001 0.000 1.157 253 L CA 1.031 55.924 54.840 0.088 0.000 0.889 253 L CB 0.581 42.732 42.059 0.152 0.000 1.158 253 L HN 0.146 nan 8.230 nan 0.000 0.473 254 R N 3.943 124.351 120.500 -0.152 0.000 2.502 254 R HA 0.512 4.852 4.340 -0.000 0.000 0.300 254 R C -1.427 174.662 176.300 -0.351 0.000 0.984 254 R CA -0.277 55.738 56.100 -0.141 0.000 0.882 254 R CB 1.055 31.325 30.300 -0.049 0.000 1.180 254 R HN 0.379 nan 8.270 nan 0.000 0.444 255 F N 1.913 121.727 119.950 -0.228 0.000 2.404 255 F HA 0.336 4.864 4.527 0.000 0.000 0.339 255 F C 0.849 176.434 175.800 -0.358 0.000 1.105 255 F CA -0.678 57.098 58.000 -0.373 0.000 1.087 255 F CB 1.053 39.576 39.000 -0.795 0.000 1.143 255 F HN 0.194 nan 8.300 nan 0.000 0.491 256 E N 2.087 122.220 120.200 -0.111 0.000 2.415 256 E HA -0.057 4.293 4.350 -0.000 0.000 0.262 256 E C 0.603 177.114 176.600 -0.147 0.000 1.038 256 E CA 0.173 56.503 56.400 -0.117 0.000 0.921 256 E CB 0.487 30.131 29.700 -0.093 0.000 0.950 256 E HN 0.577 nan 8.360 nan 0.000 0.438 257 D N 1.722 122.051 120.400 -0.118 0.000 2.126 257 D HA -0.200 4.440 4.640 -0.000 0.000 0.190 257 D C 1.767 178.014 176.300 -0.088 0.000 1.001 257 D CA 1.008 54.945 54.000 -0.105 0.000 0.841 257 D CB 0.097 40.854 40.800 -0.073 0.000 0.949 257 D HN 0.253 nan 8.370 nan 0.000 0.446 258 L N 0.128 121.307 121.223 -0.073 0.000 2.187 258 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 258 L C 2.342 179.186 176.870 -0.044 0.000 1.100 258 L CA 0.867 55.676 54.840 -0.052 0.000 0.765 258 L CB -0.996 41.034 42.059 -0.050 0.000 0.904 258 L HN 0.130 nan 8.230 nan 0.000 0.437 259 L N -0.648 120.531 121.223 -0.072 0.000 2.102 259 L HA -0.109 4.231 4.340 -0.000 0.000 0.202 259 L C 2.615 179.463 176.870 -0.037 0.000 1.076 259 L CA 1.464 56.273 54.840 -0.052 0.000 0.761 259 L CB -0.416 41.589 42.059 -0.090 0.000 0.921 259 L HN 0.244 nan 8.230 nan 0.000 0.444 260 Q N -0.707 118.974 119.800 -0.197 0.000 2.079 260 Q HA -0.225 4.115 4.340 -0.000 0.000 0.200 260 Q C 2.026 178.063 176.000 0.061 0.000 0.974 260 Q CA 1.718 57.462 55.803 -0.099 0.000 0.840 260 Q CB -0.112 28.442 28.738 -0.306 0.000 0.898 260 Q HN 0.576 nan 8.270 nan 0.000 0.430 261 E N 0.675 120.874 120.200 -0.002 0.000 2.153 261 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 261 E C 1.966 178.583 176.600 0.029 0.000 0.988 261 E CA 0.724 57.131 56.400 0.011 0.000 0.811 261 E CB 0.036 29.729 29.700 -0.012 0.000 0.746 261 E HN 0.305 nan 8.360 nan 0.000 0.466 262 Q N -0.035 119.788 119.800 0.038 0.000 2.172 262 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 262 Q C 1.961 177.992 176.000 0.052 0.000 0.964 262 Q CA 1.031 56.857 55.803 0.038 0.000 0.855 262 Q CB 0.037 28.797 28.738 0.036 0.000 0.918 262 Q HN 0.237 nan 8.270 nan 0.000 0.444 263 A N 0.524 123.405 122.820 0.102 0.000 2.016 263 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 263 A C 1.621 179.227 177.584 0.037 0.000 1.162 263 A CA 1.013 53.094 52.037 0.073 0.000 0.662 263 A CB -0.181 18.903 19.000 0.141 0.000 0.812 263 A HN 0.443 nan 8.150 nan 0.000 0.450 264 E N -0.328 119.903 120.200 0.051 0.000 2.107 264 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 264 E C 1.829 178.434 176.600 0.008 0.000 0.982 264 E CA 1.055 57.469 56.400 0.024 0.000 0.809 264 E CB -0.095 29.621 29.700 0.027 0.000 0.756 264 E HN 0.596 nan 8.360 nan 0.000 0.459 265 K N 0.662 121.068 120.400 0.011 0.000 2.486 265 K HA -0.093 4.227 4.320 -0.000 0.000 0.194 265 K C 0.519 177.120 176.600 0.002 0.000 1.033 265 K CA 0.761 57.050 56.287 0.004 0.000 1.004 265 K CB 0.390 32.893 32.500 0.004 0.000 0.798 265 K HN -0.017 nan 8.250 nan 0.000 0.495 266 D N -1.319 119.082 120.400 0.001 0.000 2.474 266 D HA 0.068 4.708 4.640 -0.000 0.000 0.213 266 D C 1.196 177.491 176.300 -0.009 0.000 1.120 266 D CA 0.185 54.183 54.000 -0.003 0.000 0.836 266 D CB 1.175 41.973 40.800 -0.003 0.000 1.019 266 D HN 0.340 nan 8.370 nan 0.000 0.507 267 G N 0.123 108.915 108.800 -0.014 0.000 2.744 267 G HA2 0.387 4.347 3.960 -0.000 0.000 0.211 267 G HA3 0.387 4.347 3.960 -0.000 0.000 0.211 267 G C 0.990 175.877 174.900 -0.021 0.000 1.146 267 G CA 0.526 45.611 45.100 -0.025 0.000 0.787 267 G HN 0.494 nan 8.290 nan 0.000 0.534 268 G N 0.010 108.801 108.800 -0.015 0.000 2.508 268 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 268 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 268 G C 0.475 175.365 174.900 -0.016 0.000 1.287 268 G CA 0.280 45.372 45.100 -0.013 0.000 0.916 268 G HN 0.066 nan 8.290 nan 0.000 0.574 269 E N 1.004 121.195 120.200 -0.015 0.000 2.166 269 E HA 0.056 4.406 4.350 -0.000 0.000 0.192 269 E C 0.884 177.470 176.600 -0.022 0.000 0.967 269 E CA 0.952 57.342 56.400 -0.016 0.000 0.840 269 E CB -0.115 29.579 29.700 -0.011 0.000 0.795 269 E HN 0.702 nan 8.360 nan 0.000 0.470 270 D N 0.091 120.477 120.400 -0.024 0.000 2.345 270 D HA 0.128 4.768 4.640 -0.000 0.000 0.247 270 D C 0.943 177.210 176.300 -0.054 0.000 1.108 270 D CA 0.304 54.286 54.000 -0.030 0.000 0.894 270 D CB 1.589 42.376 40.800 -0.021 0.000 1.203 270 D HN -0.098 nan 8.370 nan 0.000 0.430 271 A N 3.227 126.008 122.820 -0.065 0.000 1.859 271 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 271 A C 2.277 179.759 177.584 -0.170 0.000 1.209 271 A CA 1.422 53.394 52.037 -0.107 0.000 0.639 271 A CB -1.065 17.877 19.000 -0.098 0.000 0.835 271 A HN 0.729 nan 8.150 nan 0.000 0.450 272 L N -0.832 120.302 121.223 -0.148 0.000 2.089 272 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 272 L C 2.556 179.339 176.870 -0.146 0.000 1.079 272 L CA 1.511 56.246 54.840 -0.174 0.000 0.758 272 L CB -0.579 41.458 42.059 -0.038 0.000 0.891 272 L HN 0.553 nan 8.230 nan 0.000 0.433 273 G N -1.873 106.877 108.800 -0.083 0.000 2.421 273 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 273 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 273 G C 1.421 176.269 174.900 -0.087 0.000 1.143 273 G CA 0.060 45.130 45.100 -0.050 0.000 0.784 273 G HN 0.325 nan 8.290 nan 0.000 0.541 274 Q N -0.212 119.511 119.800 -0.128 0.000 2.020 274 Q HA 0.039 4.379 4.340 -0.000 0.000 0.198 274 Q C 2.678 178.539 176.000 -0.232 0.000 0.974 274 Q CA 0.501 56.222 55.803 -0.137 0.000 0.829 274 Q CB -0.645 28.023 28.738 -0.117 0.000 0.894 274 Q HN 0.328 nan 8.270 nan 0.000 0.433 275 L N 1.669 122.652 121.223 -0.399 0.000 2.043 275 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 275 L C 2.008 178.613 176.870 -0.442 0.000 1.075 275 L CA 2.075 56.475 54.840 -0.732 0.000 0.752 275 L CB -1.133 39.986 42.059 -1.566 0.000 0.891 275 L HN 0.300 nan 8.230 nan 0.000 0.432 276 D N -1.319 118.955 120.400 -0.210 0.000 2.117 276 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 276 D C 2.164 178.497 176.300 0.055 0.000 0.982 276 D CA 1.172 55.240 54.000 0.114 0.000 0.828 276 D CB 0.142 41.066 40.800 0.206 0.000 0.967 276 D HN 0.270 nan 8.370 nan 0.000 0.464 277 A N 0.176 122.962 122.820 -0.057 0.000 1.877 277 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 277 A C 2.364 179.808 177.584 -0.233 0.000 1.186 277 A CA 2.564 54.544 52.037 -0.096 0.000 0.620 277 A CB -1.055 17.903 19.000 -0.071 0.000 0.822 277 A HN 0.402 nan 8.150 nan 0.000 0.443 278 S N -0.986 114.496 115.700 -0.363 0.000 2.368 278 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 278 S C 1.875 175.860 174.600 -1.025 0.000 1.029 278 S CA 1.307 58.993 58.200 -0.857 0.000 0.988 278 S CB -0.897 61.677 63.200 -1.043 0.000 0.838 278 S HN 0.593 nan 8.310 nan 0.000 0.462 279 F N 3.006 122.566 119.950 -0.649 0.000 2.126 279 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 279 F C 2.398 177.920 175.800 -0.462 0.000 1.096 279 F CA 1.856 59.557 58.000 -0.498 0.000 1.255 279 F CB -0.820 38.093 39.000 -0.145 0.000 0.997 279 F HN 0.161 nan 8.300 nan 0.000 0.479 280 T N 1.529 115.778 114.554 -0.509 0.000 2.643 280 T HA -0.237 4.113 4.350 -0.000 0.000 0.264 280 T C 1.772 176.165 174.700 -0.513 0.000 1.045 280 T CA 1.630 63.452 62.100 -0.463 0.000 1.155 280 T CB -0.733 68.054 68.868 -0.135 0.000 0.863 280 T HN 0.239 nan 8.240 nan 0.000 0.420 281 L N 1.075 122.043 121.223 -0.425 0.000 2.079 281 L HA 0.001 4.341 4.340 -0.000 0.000 0.210 281 L C 2.399 179.006 176.870 -0.439 0.000 1.081 281 L CA 1.709 56.358 54.840 -0.318 0.000 0.752 281 L CB -0.708 41.253 42.059 -0.163 0.000 0.896 281 L HN 0.311 nan 8.230 nan 0.000 0.433 282 M N -1.865 117.245 119.600 -0.817 0.000 2.086 282 M HA -0.258 4.222 4.480 -0.000 0.000 0.261 282 M C 2.068 177.808 176.300 -0.934 0.000 1.067 282 M CA 1.894 56.631 55.300 -0.938 0.000 1.116 282 M CB -0.063 31.770 32.600 -1.278 0.000 1.348 282 M HN 0.251 nan 8.290 nan 0.000 0.407 283 M N 0.304 119.321 119.600 -0.972 0.000 2.117 283 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 283 M C 2.125 178.052 176.300 -0.621 0.000 1.065 283 M CA 1.383 56.108 55.300 -0.958 0.000 1.114 283 M CB -1.587 29.906 32.600 -1.845 0.000 1.361 283 M HN 0.338 nan 8.290 nan 0.000 0.408 284 L N 0.268 121.209 121.223 -0.470 0.000 2.083 284 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 284 L C 2.794 179.644 176.870 -0.034 0.000 1.083 284 L CA 2.236 56.985 54.840 -0.151 0.000 0.752 284 L CB -1.563 40.449 42.059 -0.078 0.000 0.899 284 L HN 0.510 nan 8.230 nan 0.000 0.433 285 T N -4.324 110.199 114.554 -0.052 0.000 3.014 285 T HA -0.119 4.230 4.350 -0.000 0.000 0.263 285 T C 1.926 176.753 174.700 0.212 0.000 1.078 285 T CA 0.354 62.533 62.100 0.131 0.000 1.135 285 T CB -0.396 68.591 68.868 0.200 0.000 0.895 285 T HN 0.018 nan 8.240 nan 0.000 0.480 286 F N 2.625 122.585 119.950 0.017 0.000 2.134 286 F HA 0.244 4.770 4.527 -0.000 0.000 0.299 286 F C 2.928 178.714 175.800 -0.024 0.000 1.097 286 F CA 0.059 58.079 58.000 0.032 0.000 1.264 286 F CB -1.347 37.619 39.000 -0.057 0.000 1.001 286 F HN 0.342 nan 8.300 nan 0.000 0.479 287 A N -0.795 122.119 122.820 0.157 0.000 2.131 287 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 287 A C 2.152 179.773 177.584 0.061 0.000 1.158 287 A CA 1.684 53.779 52.037 0.096 0.000 0.665 287 A CB -0.532 18.541 19.000 0.122 0.000 0.795 287 A HN 0.455 nan 8.150 nan 0.000 0.460 288 E N -1.953 118.302 120.200 0.092 0.000 2.162 288 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 288 E C 1.683 178.196 176.600 -0.144 0.000 0.953 288 E CA 0.417 56.877 56.400 0.101 0.000 0.849 288 E CB -0.179 29.726 29.700 0.342 0.000 0.810 288 E HN 0.643 nan 8.360 nan 0.000 0.470 289 F N 1.912 121.514 119.950 -0.580 0.000 2.075 289 F HA -0.210 4.317 4.527 -0.000 0.000 0.297 289 F C 1.930 177.286 175.800 -0.741 0.000 1.113 289 F CA 1.002 58.291 58.000 -1.184 0.000 1.218 289 F CB -0.211 38.255 39.000 -0.889 0.000 0.984 289 F HN -0.052 nan 8.300 nan 0.000 0.472 290 L N 1.552 122.323 121.223 -0.754 0.000 1.989 290 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 290 L C -0.302 175.662 176.870 -1.510 0.000 1.071 290 L CA 2.308 56.456 54.840 -1.153 0.000 0.749 290 L CB -2.492 39.148 42.059 -0.697 0.000 0.890 290 L HN 0.124 nan 8.230 nan 0.000 0.431 291 P HA -0.124 nan 4.420 nan 0.000 0.219 291 P C 1.301 178.389 177.300 -0.354 0.000 1.150 291 P CA 1.807 64.591 63.100 -0.526 0.000 0.814 291 P CB 0.036 31.641 31.700 -0.158 0.000 0.787 292 A N -0.472 122.156 122.820 -0.320 0.000 2.014 292 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 292 A C 2.172 179.758 177.584 0.004 0.000 1.163 292 A CA 0.954 52.946 52.037 -0.074 0.000 0.652 292 A CB -1.421 17.589 19.000 0.016 0.000 0.808 292 A HN 0.166 nan 8.150 nan 0.000 0.449 293 L N -1.060 119.947 121.223 -0.360 0.000 2.044 293 L HA 0.042 4.382 4.340 -0.000 0.000 0.205 293 L C 2.230 179.013 176.870 -0.145 0.000 1.075 293 L CA 1.697 56.312 54.840 -0.375 0.000 0.747 293 L CB -0.691 40.879 42.059 -0.815 0.000 0.903 293 L HN 0.465 nan 8.230 nan 0.000 0.435 294 F N 0.065 119.910 119.950 -0.175 0.000 2.069 294 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 294 F C 2.635 178.403 175.800 -0.054 0.000 1.113 294 F CA 1.287 59.216 58.000 -0.118 0.000 1.214 294 F CB -0.487 38.452 39.000 -0.102 0.000 0.978 294 F HN 0.242 nan 8.300 nan 0.000 0.474 295 E N 1.106 121.405 120.200 0.164 0.000 2.085 295 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 295 E C 2.260 178.941 176.600 0.135 0.000 0.994 295 E CA 1.116 57.593 56.400 0.129 0.000 0.801 295 E CB -0.168 29.599 29.700 0.111 0.000 0.743 295 E HN 0.341 nan 8.360 nan 0.000 0.453 296 A N 0.987 123.899 122.820 0.153 0.000 1.933 296 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 296 A C 2.019 179.742 177.584 0.232 0.000 1.175 296 A CA 0.947 53.120 52.037 0.227 0.000 0.628 296 A CB -0.420 18.688 19.000 0.179 0.000 0.814 296 A HN 0.325 nan 8.150 nan 0.000 0.444 297 L N -0.881 120.393 121.223 0.086 0.000 2.645 297 L HA 0.249 4.589 4.340 -0.000 0.000 0.234 297 L C 1.473 178.339 176.870 -0.006 0.000 1.165 297 L CA 0.442 55.270 54.840 -0.020 0.000 0.944 297 L CB -0.286 41.730 42.059 -0.072 0.000 1.149 297 L HN 0.586 nan 8.230 nan 0.000 0.446 298 G N -0.675 108.153 108.800 0.048 0.000 2.175 298 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.244 298 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.244 298 G C 0.553 175.470 174.900 0.028 0.000 0.982 298 G CA -0.161 44.958 45.100 0.032 0.000 0.641 298 G HN 0.878 nan 8.290 nan 0.000 0.527 299 G N -0.965 107.864 108.800 0.048 0.000 2.712 299 G HA2 0.336 4.296 3.960 -0.000 0.000 0.686 299 G HA3 0.336 4.296 3.960 -0.000 0.000 0.686 299 G C -0.470 174.423 174.900 -0.012 0.000 1.181 299 G CA 0.543 45.670 45.100 0.045 0.000 0.762 299 G HN 1.357 nan 8.290 nan 0.000 0.641 300 E N 0.177 120.349 120.200 -0.046 0.000 2.338 300 E HA 0.410 4.760 4.350 -0.000 0.000 0.272 300 E C 0.268 176.785 176.600 -0.138 0.000 1.029 300 E CA -0.361 55.924 56.400 -0.192 0.000 0.872 300 E CB 0.635 30.108 29.700 -0.379 0.000 1.015 300 E HN 0.525 nan 8.360 nan 0.000 0.417 301 E N 5.236 125.345 120.200 -0.152 0.000 1.932 301 E HA 0.096 4.446 4.350 -0.000 0.000 0.275 301 E C -0.573 175.959 176.600 -0.112 0.000 1.159 301 E CA -0.474 55.862 56.400 -0.108 0.000 0.905 301 E CB 0.083 29.722 29.700 -0.101 0.000 1.059 301 E HN 0.370 nan 8.360 nan 0.000 0.400 302 I N 7.120 127.639 120.570 -0.086 0.000 2.517 302 I HA 0.102 4.272 4.170 -0.000 0.000 0.285 302 I C -1.721 174.363 176.117 -0.055 0.000 1.106 302 I CA -2.345 58.911 61.300 -0.073 0.000 1.402 302 I CB 0.069 38.040 38.000 -0.048 0.000 1.399 302 I HN 0.515 nan 8.210 nan 0.000 0.535 303 P HA 0.124 nan 4.420 nan 0.000 0.270 303 P C -0.634 176.650 177.300 -0.025 0.000 1.242 303 P CA -0.210 62.867 63.100 -0.038 0.000 0.768 303 P CB 0.562 32.241 31.700 -0.036 0.000 0.820 304 Q N 1.537 121.324 119.800 -0.022 0.000 2.306 304 Q HA 0.458 4.798 4.340 -0.000 0.000 0.241 304 Q C 1.203 177.197 176.000 -0.011 0.000 0.948 304 Q CA -0.542 55.252 55.803 -0.015 0.000 0.886 304 Q CB 1.003 29.733 28.738 -0.014 0.000 1.227 304 Q HN 0.549 nan 8.270 nan 0.000 0.457 305 G N 0.438 109.233 108.800 -0.007 0.000 2.504 305 G HA2 0.390 4.350 3.960 -0.000 0.000 0.257 305 G HA3 0.390 4.350 3.960 -0.000 0.000 0.257 305 G C -0.267 174.630 174.900 -0.005 0.000 1.451 305 G CA -0.476 44.621 45.100 -0.005 0.000 1.059 305 G HN 0.408 nan 8.290 nan 0.000 0.550 306 V N 0.000 119.912 119.914 -0.003 0.000 2.409 306 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 306 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 306 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 306 V HN 0.000 nan 8.190 nan 0.000 0.556