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 1dvm_1_C DATA FIRST_RESID 5 DATA SEQUENCE PSYVAHLASD FGVRVFQQVA QASKDRNVVF SPYGVASVLA MLQLTTGGET DATA SEQUENCE QQQIQAAMGF KIDDKGMAPA LRHLYKELMG PWNKDEISTT DAIFVQRDLK DATA SEQUENCE LVQGFMPHFF RLFRSTVKQV DFSEVERARF IINDWVKTHT KGMISHLLGT DATA SEQUENCE GAVQQLTRLV LVNALYFNGQ WKTPFPDSST HRRLFHKSDG STVSVPMMAQ DATA SEQUENCE TNKFNYTEFT TPDGHYYDIL ELPYHGDTLS MFIAAPYEKE VPLSALTNIL DATA SEQUENCE SAQLISHWKG NMTRLPRLLV LPKFSLETEV DLRKPLENLG MTDMFRQFQA DATA SEQUENCE DFTSLSDQEP LHVALALQKV KIEVNESGXX XXXXXXXXXS ARMAPEEIII DATA SEQUENCE DRPFLFVVRH NPTGTVLFMG QVMEP 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.349 177.300 0.081 0.000 1.155 5 P CA 0.000 63.176 63.100 0.126 0.000 0.800 5 P CB 0.000 31.776 31.700 0.127 0.000 0.726 6 S N 0.158 115.915 115.700 0.095 0.000 2.374 6 S HA -0.204 4.309 4.470 0.071 0.000 0.227 6 S C 1.510 176.192 174.600 0.137 0.000 1.037 6 S CA 1.234 59.490 58.200 0.094 0.000 1.024 6 S CB -0.389 62.857 63.200 0.077 0.000 0.861 6 S HN 0.657 nan 8.310 nan 0.000 0.456 7 Y N 2.461 122.764 120.300 0.005 0.000 2.114 7 Y HA -0.128 4.466 4.550 0.073 0.000 0.284 7 Y C 2.333 178.207 175.900 -0.042 0.000 1.143 7 Y CA 0.837 58.936 58.100 -0.002 0.000 1.135 7 Y CB -0.970 37.471 38.460 -0.032 0.000 0.980 7 Y HN 0.032 nan 8.280 nan 0.000 0.499 8 V N 0.715 120.470 119.914 -0.265 0.000 2.287 8 V HA -0.351 3.812 4.120 0.071 0.000 0.248 8 V C 2.740 178.683 176.094 -0.251 0.000 1.053 8 V CA 1.962 64.006 62.300 -0.427 0.000 1.027 8 V CB -1.689 30.003 31.823 -0.219 0.000 0.646 8 V HN 0.561 nan 8.190 nan 0.000 0.447 9 A N -0.449 122.322 122.820 -0.081 0.000 1.883 9 A HA -0.334 4.029 4.320 0.071 0.000 0.217 9 A C 2.118 179.700 177.584 -0.005 0.000 1.186 9 A CA 2.470 54.494 52.037 -0.021 0.000 0.624 9 A CB -0.922 18.083 19.000 0.009 0.000 0.822 9 A HN 0.758 nan 8.150 nan 0.000 0.444 10 H N -0.085 118.937 119.070 -0.080 0.000 2.352 10 H HA -0.053 4.546 4.556 0.072 0.000 0.299 10 H C 1.719 177.000 175.328 -0.078 0.000 1.097 10 H CA 2.008 58.025 56.048 -0.052 0.000 1.311 10 H CB -0.301 29.462 29.762 0.003 0.000 1.377 10 H HN 0.386 nan 8.280 nan 0.000 0.504 11 L N -0.366 120.657 121.223 -0.334 0.000 1.976 11 L HA -0.159 4.224 4.340 0.071 0.000 0.209 11 L C 2.921 179.735 176.870 -0.093 0.000 1.071 11 L CA 1.211 55.835 54.840 -0.360 0.000 0.746 11 L CB -0.894 40.703 42.059 -0.771 0.000 0.890 11 L HN 0.434 nan 8.230 nan 0.000 0.432 12 A N -0.478 122.318 122.820 -0.040 0.000 1.873 12 A HA -0.242 4.121 4.320 0.071 0.000 0.218 12 A C 2.503 180.195 177.584 0.179 0.000 1.193 12 A CA 2.397 54.540 52.037 0.176 0.000 0.629 12 A CB -0.873 18.254 19.000 0.213 0.000 0.826 12 A HN 0.402 nan 8.150 nan 0.000 0.447 13 S N -0.490 115.254 115.700 0.073 0.000 2.351 13 S HA -0.208 4.304 4.470 0.071 0.000 0.220 13 S C 1.828 176.427 174.600 -0.001 0.000 1.035 13 S CA 1.711 59.932 58.200 0.036 0.000 1.031 13 S CB -0.552 62.646 63.200 -0.002 0.000 0.928 13 S HN 0.752 nan 8.310 nan 0.000 0.433 14 D N 0.197 120.543 120.400 -0.089 0.000 2.104 14 D HA -0.150 4.533 4.640 0.071 0.000 0.194 14 D C 1.722 178.035 176.300 0.022 0.000 0.994 14 D CA 1.098 55.034 54.000 -0.107 0.000 0.830 14 D CB -0.202 40.413 40.800 -0.308 0.000 0.959 14 D HN 0.316 nan 8.370 nan 0.000 0.452 15 F N 0.660 120.588 119.950 -0.038 0.000 2.102 15 F HA 0.017 4.587 4.527 0.072 0.000 0.298 15 F C 2.189 178.031 175.800 0.070 0.000 1.105 15 F CA 2.095 60.111 58.000 0.028 0.000 1.239 15 F CB -0.816 38.224 39.000 0.067 0.000 0.991 15 F HN 0.011 nan 8.300 nan 0.000 0.474 16 G N 0.064 108.830 108.800 -0.056 0.000 2.422 16 G HA2 -0.206 3.796 3.960 0.071 0.000 0.218 16 G HA3 -0.206 3.796 3.960 0.071 0.000 0.218 16 G C 1.711 176.620 174.900 0.015 0.000 1.146 16 G CA 1.197 46.273 45.100 -0.040 0.000 0.769 16 G HN 0.362 nan 8.290 nan 0.000 0.547 17 V N 0.362 120.274 119.914 -0.004 0.000 2.594 17 V HA -0.137 4.025 4.120 0.071 0.000 0.253 17 V C 2.850 178.937 176.094 -0.012 0.000 1.069 17 V CA 1.837 64.136 62.300 -0.001 0.000 1.082 17 V CB -0.441 31.351 31.823 -0.051 0.000 0.680 17 V HN 0.306 nan 8.190 nan 0.000 0.469 18 R N -0.630 119.815 120.500 -0.092 0.000 2.090 18 R HA -0.042 4.341 4.340 0.071 0.000 0.228 18 R C 2.224 178.404 176.300 -0.200 0.000 1.110 18 R CA 1.004 57.033 56.100 -0.119 0.000 0.973 18 R CB -0.274 29.967 30.300 -0.098 0.000 0.869 18 R HN 0.394 nan 8.270 nan 0.000 0.440 19 V N 0.556 120.283 119.914 -0.311 0.000 2.379 19 V HA -0.209 3.953 4.120 0.071 0.000 0.245 19 V C 1.838 177.649 176.094 -0.472 0.000 1.044 19 V CA 1.515 63.608 62.300 -0.346 0.000 1.036 19 V CB -0.493 31.142 31.823 -0.312 0.000 0.664 19 V HN 0.224 nan 8.190 nan 0.000 0.453 20 F N 1.227 120.785 119.950 -0.653 0.000 2.069 20 F HA -0.251 4.315 4.527 0.065 0.000 0.298 20 F C 2.566 178.086 175.800 -0.466 0.000 1.113 20 F CA 2.042 59.538 58.000 -0.839 0.000 1.214 20 F CB -0.441 38.261 39.000 -0.498 0.000 0.978 20 F HN 0.118 nan 8.300 nan 0.000 0.474 21 Q N -0.238 119.406 119.800 -0.259 0.000 2.217 21 Q HA -0.269 4.114 4.340 0.071 0.000 0.209 21 Q C 2.161 177.936 176.000 -0.375 0.000 0.988 21 Q CA 1.731 57.370 55.803 -0.272 0.000 0.878 21 Q CB -0.310 28.376 28.738 -0.086 0.000 0.909 21 Q HN 0.572 nan 8.270 nan 0.000 0.424 22 Q N -0.274 119.309 119.800 -0.362 0.000 2.049 22 Q HA -0.105 4.277 4.340 0.071 0.000 0.198 22 Q C 2.352 178.137 176.000 -0.358 0.000 0.971 22 Q CA 1.499 57.124 55.803 -0.296 0.000 0.833 22 Q CB -0.613 27.987 28.738 -0.231 0.000 0.896 22 Q HN 0.432 nan 8.270 nan 0.000 0.434 23 V N -0.355 119.254 119.914 -0.507 0.000 2.626 23 V HA -0.041 4.121 4.120 0.071 0.000 0.252 23 V C 2.011 177.810 176.094 -0.492 0.000 1.067 23 V CA 1.841 63.867 62.300 -0.457 0.000 1.081 23 V CB -0.637 30.896 31.823 -0.483 0.000 0.686 23 V HN 0.216 nan 8.190 nan 0.000 0.468 24 A N 1.099 123.473 122.820 -0.743 0.000 1.897 24 A HA -0.157 4.205 4.320 0.071 0.000 0.215 24 A C 2.263 179.642 177.584 -0.342 0.000 1.181 24 A CA 1.477 53.129 52.037 -0.641 0.000 0.620 24 A CB -0.553 17.873 19.000 -0.956 0.000 0.821 24 A HN 0.849 nan 8.150 nan 0.000 0.443 25 Q N -1.063 118.558 119.800 -0.300 0.000 2.444 25 Q HA 0.356 4.738 4.340 0.071 0.000 0.206 25 Q C 1.266 177.176 176.000 -0.150 0.000 0.948 25 Q CA 0.870 56.564 55.803 -0.182 0.000 0.946 25 Q CB -0.117 28.532 28.738 -0.149 0.000 1.027 25 Q HN 0.449 nan 8.270 nan 0.000 0.513 26 A N 0.544 123.258 122.820 -0.177 0.000 2.288 26 A HA 0.194 4.556 4.320 0.071 0.000 0.216 26 A C 0.871 178.385 177.584 -0.116 0.000 1.199 26 A CA 0.091 52.048 52.037 -0.133 0.000 0.891 26 A CB 0.577 19.493 19.000 -0.140 0.000 0.923 26 A HN 0.295 nan 8.150 nan 0.000 0.500 27 S N -0.132 115.486 115.700 -0.137 0.000 2.585 27 S HA 0.520 5.033 4.470 0.071 0.000 0.277 27 S C 0.186 174.740 174.600 -0.077 0.000 1.241 27 S CA -0.504 57.634 58.200 -0.104 0.000 1.041 27 S CB 1.222 64.348 63.200 -0.124 0.000 0.987 27 S HN 0.383 nan 8.310 nan 0.000 0.512 28 K N 1.767 122.137 120.400 -0.050 0.000 2.948 28 K HA 0.234 4.597 4.320 0.071 0.000 0.323 28 K C -0.589 175.995 176.600 -0.027 0.000 1.015 28 K CA 0.157 56.424 56.287 -0.034 0.000 1.117 28 K CB -0.019 32.468 32.500 -0.021 0.000 1.264 28 K HN 0.686 nan 8.250 nan 0.000 0.486 29 D N 1.309 121.702 120.400 -0.010 0.000 2.801 29 D HA 0.106 4.788 4.640 0.071 0.000 0.232 29 D C -0.656 175.648 176.300 0.007 0.000 1.128 29 D CA 0.138 54.141 54.000 0.004 0.000 1.003 29 D CB 0.065 40.876 40.800 0.018 0.000 1.110 29 D HN 0.138 nan 8.370 nan 0.000 0.477 30 R N 0.859 121.355 120.500 -0.006 0.000 2.750 30 R HA 0.406 4.789 4.340 0.071 0.000 0.281 30 R C -0.375 175.919 176.300 -0.009 0.000 0.972 30 R CA -1.081 55.015 56.100 -0.006 0.000 0.912 30 R CB 0.836 31.132 30.300 -0.007 0.000 1.187 30 R HN -0.018 nan 8.270 nan 0.000 0.464 31 N N 0.364 119.058 118.700 -0.010 0.000 2.395 31 N HA 0.190 4.973 4.740 0.071 0.000 0.246 31 N C -0.615 174.921 175.510 0.042 0.000 1.246 31 N CA 0.248 53.295 53.050 -0.004 0.000 0.879 31 N CB 0.548 39.024 38.487 -0.019 0.000 1.098 31 N HN 0.275 nan 8.380 nan 0.000 0.444 32 V N 0.674 120.644 119.914 0.093 0.000 2.924 32 V HA 0.437 4.600 4.120 0.071 0.000 0.300 32 V C -0.937 175.326 176.094 0.281 0.000 1.227 32 V CA -0.854 61.543 62.300 0.161 0.000 0.954 32 V CB 2.207 34.092 31.823 0.104 0.000 1.055 32 V HN 0.355 nan 8.190 nan 0.000 0.429 33 V N 4.892 125.017 119.914 0.352 0.000 2.709 33 V HA 0.866 5.028 4.120 0.071 0.000 0.308 33 V C -1.757 174.632 176.094 0.492 0.000 1.062 33 V CA -0.367 62.201 62.300 0.447 0.000 0.901 33 V CB 1.932 34.053 31.823 0.497 0.000 1.003 33 V HN 0.786 nan 8.190 nan 0.000 0.425 34 F N 3.736 123.851 119.950 0.275 0.000 2.664 34 F HA 0.739 5.306 4.527 0.067 0.000 0.317 34 F C -0.258 175.660 175.800 0.197 0.000 1.108 34 F CA -0.333 57.820 58.000 0.256 0.000 0.957 34 F CB 2.424 41.669 39.000 0.407 0.000 1.365 34 F HN 0.401 nan 8.300 nan 0.000 0.475 35 S N 4.041 119.533 115.700 -0.346 0.000 2.399 35 S HA 0.396 4.909 4.470 0.071 0.000 0.215 35 S C -2.317 172.074 174.600 -0.348 0.000 1.456 35 S CA -1.456 56.540 58.200 -0.339 0.000 1.199 35 S CB 0.785 63.751 63.200 -0.391 0.000 1.063 35 S HN 0.383 nan 8.310 nan 0.000 0.476 36 P HA -0.188 nan 4.420 nan 0.000 0.216 36 P C 0.986 178.322 177.300 0.061 0.000 1.154 36 P CA 1.021 64.202 63.100 0.135 0.000 0.865 36 P CB -0.058 31.708 31.700 0.111 0.000 0.789 37 Y N 0.361 120.586 120.300 -0.126 0.000 2.224 37 Y HA -0.088 4.504 4.550 0.070 0.000 0.289 37 Y C 2.261 178.113 175.900 -0.079 0.000 1.146 37 Y CA 1.753 59.793 58.100 -0.100 0.000 1.182 37 Y CB -1.113 37.238 38.460 -0.182 0.000 0.983 37 Y HN -0.154 nan 8.280 nan 0.000 0.524 38 G N -0.373 108.212 108.800 -0.357 0.000 2.464 38 G HA2 -0.254 3.748 3.960 0.071 0.000 0.214 38 G HA3 -0.254 3.748 3.960 0.071 0.000 0.214 38 G C 1.807 176.554 174.900 -0.254 0.000 1.218 38 G CA 1.132 45.998 45.100 -0.389 0.000 0.794 38 G HN 0.377 nan 8.290 nan 0.000 0.542 39 V N 1.527 121.322 119.914 -0.199 0.000 2.380 39 V HA -0.155 4.007 4.120 0.071 0.000 0.251 39 V C 3.134 179.307 176.094 0.130 0.000 1.063 39 V CA 2.765 65.052 62.300 -0.021 0.000 1.055 39 V CB -0.660 31.208 31.823 0.074 0.000 0.657 39 V HN 0.451 nan 8.190 nan 0.000 0.455 40 A N -1.537 121.375 122.820 0.153 0.000 1.929 40 A HA -0.162 4.200 4.320 0.071 0.000 0.216 40 A C 2.517 180.133 177.584 0.054 0.000 1.176 40 A CA 2.020 54.225 52.037 0.280 0.000 0.628 40 A CB -0.847 18.360 19.000 0.345 0.000 0.816 40 A HN 0.556 nan 8.150 nan 0.000 0.444 41 S N -0.388 115.221 115.700 -0.151 0.000 2.383 41 S HA -0.135 4.378 4.470 0.071 0.000 0.227 41 S C 1.957 176.458 174.600 -0.166 0.000 1.026 41 S CA 1.832 59.904 58.200 -0.213 0.000 0.981 41 S CB -0.571 62.328 63.200 -0.501 0.000 0.818 41 S HN 0.652 nan 8.310 nan 0.000 0.472 42 V N 0.277 120.106 119.914 -0.143 0.000 2.488 42 V HA 0.039 4.202 4.120 0.071 0.000 0.246 42 V C 2.297 178.331 176.094 -0.101 0.000 1.046 42 V CA 0.797 63.018 62.300 -0.132 0.000 1.053 42 V CB -0.940 30.836 31.823 -0.078 0.000 0.679 42 V HN 0.353 nan 8.190 nan 0.000 0.458 43 L N 0.845 122.051 121.223 -0.029 0.000 2.131 43 L HA -0.060 4.322 4.340 0.071 0.000 0.210 43 L C 2.909 179.702 176.870 -0.129 0.000 1.092 43 L CA 2.230 57.051 54.840 -0.033 0.000 0.759 43 L CB -1.498 40.590 42.059 0.047 0.000 0.903 43 L HN 0.473 nan 8.230 nan 0.000 0.435 44 A N -0.483 122.256 122.820 -0.134 0.000 1.933 44 A HA -0.231 4.132 4.320 0.071 0.000 0.218 44 A C 2.307 179.800 177.584 -0.152 0.000 1.175 44 A CA 1.640 53.601 52.037 -0.127 0.000 0.628 44 A CB -0.339 18.689 19.000 0.046 0.000 0.814 44 A HN 0.359 nan 8.150 nan 0.000 0.444 45 M N -1.497 117.868 119.600 -0.392 0.000 2.200 45 M HA -0.056 4.466 4.480 0.071 0.000 0.265 45 M C 2.067 178.263 176.300 -0.174 0.000 1.066 45 M CA 0.986 55.843 55.300 -0.738 0.000 1.127 45 M CB -0.274 31.855 32.600 -0.785 0.000 1.379 45 M HN 0.407 nan 8.290 nan 0.000 0.420 46 L N 0.669 121.845 121.223 -0.078 0.000 2.131 46 L HA -0.196 4.186 4.340 0.071 0.000 0.210 46 L C 2.306 179.202 176.870 0.045 0.000 1.092 46 L CA 1.851 56.716 54.840 0.042 0.000 0.759 46 L CB -0.626 41.452 42.059 0.031 0.000 0.903 46 L HN 0.321 nan 8.230 nan 0.000 0.435 47 Q N -1.416 118.360 119.800 -0.039 0.000 2.197 47 Q HA -0.247 4.135 4.340 0.071 0.000 0.207 47 Q C 2.040 178.060 176.000 0.034 0.000 0.984 47 Q CA 1.425 57.191 55.803 -0.061 0.000 0.869 47 Q CB -0.248 28.409 28.738 -0.135 0.000 0.906 47 Q HN 0.373 nan 8.270 nan 0.000 0.426 48 L N 0.128 121.428 121.223 0.128 0.000 2.313 48 L HA -0.078 4.305 4.340 0.071 0.000 0.214 48 L C 2.270 179.409 176.870 0.448 0.000 1.119 48 L CA 1.842 56.836 54.840 0.256 0.000 0.809 48 L CB -0.298 41.913 42.059 0.253 0.000 0.933 48 L HN 0.280 nan 8.230 nan 0.000 0.449 49 T N -5.927 108.868 114.554 0.401 0.000 3.037 49 T HA 0.052 4.445 4.350 0.071 0.000 0.252 49 T C 1.145 175.959 174.700 0.191 0.000 1.073 49 T CA 0.506 62.816 62.100 0.351 0.000 1.091 49 T CB -0.336 68.707 68.868 0.292 0.000 0.935 49 T HN 0.197 nan 8.240 nan 0.000 0.488 50 T N 0.598 115.171 114.554 0.032 0.000 2.874 50 T HA 0.645 5.038 4.350 0.071 0.000 0.281 50 T C 0.077 174.664 174.700 -0.189 0.000 0.994 50 T CA 0.081 61.994 62.100 -0.312 0.000 1.015 50 T CB 0.853 69.429 68.868 -0.488 0.000 1.028 50 T HN 0.633 nan 8.240 nan 0.000 0.523 51 G N -0.500 108.145 108.800 -0.259 0.000 2.687 51 G HA2 0.607 4.610 3.960 0.071 0.000 0.291 51 G HA3 0.607 4.610 3.960 0.071 0.000 0.291 51 G C 0.185 174.993 174.900 -0.153 0.000 1.420 51 G CA 0.142 45.157 45.100 -0.142 0.000 0.796 51 G HN 1.309 nan 8.290 nan 0.000 0.485 52 G N -0.312 108.431 108.800 -0.096 0.000 2.574 52 G HA2 -0.310 3.693 3.960 0.071 0.000 0.282 52 G HA3 -0.310 3.693 3.960 0.071 0.000 0.282 52 G C 1.097 175.942 174.900 -0.093 0.000 1.257 52 G CA 1.069 46.120 45.100 -0.082 0.000 0.956 52 G HN 1.063 nan 8.290 nan 0.000 0.560 53 E N -0.658 119.494 120.200 -0.080 0.000 2.160 53 E HA -0.130 4.263 4.350 0.071 0.000 0.195 53 E C 2.658 179.194 176.600 -0.106 0.000 0.991 53 E CA 1.902 58.258 56.400 -0.074 0.000 0.810 53 E CB -0.366 29.304 29.700 -0.051 0.000 0.742 53 E HN 0.548 nan 8.360 nan 0.000 0.466 54 T N 0.587 115.048 114.554 -0.155 0.000 2.788 54 T HA -0.211 4.181 4.350 0.071 0.000 0.268 54 T C 1.794 176.348 174.700 -0.242 0.000 1.044 54 T CA 1.494 63.456 62.100 -0.229 0.000 1.139 54 T CB -0.159 68.482 68.868 -0.378 0.000 0.867 54 T HN 0.288 nan 8.240 nan 0.000 0.454 55 Q N 0.842 120.509 119.800 -0.222 0.000 2.083 55 Q HA -0.143 4.239 4.340 0.071 0.000 0.198 55 Q C 2.422 178.335 176.000 -0.146 0.000 0.969 55 Q CA 1.125 56.814 55.803 -0.189 0.000 0.838 55 Q CB -0.074 28.572 28.738 -0.152 0.000 0.900 55 Q HN 0.749 nan 8.270 nan 0.000 0.436 56 Q N -0.719 119.012 119.800 -0.114 0.000 2.369 56 Q HA -0.137 4.246 4.340 0.071 0.000 0.206 56 Q C 1.640 177.592 176.000 -0.081 0.000 0.963 56 Q CA 0.939 56.689 55.803 -0.088 0.000 0.894 56 Q CB -0.015 28.686 28.738 -0.062 0.000 0.965 56 Q HN 0.429 nan 8.270 nan 0.000 0.475 57 Q N 0.402 120.150 119.800 -0.087 0.000 2.297 57 Q HA 0.018 4.401 4.340 0.071 0.000 0.204 57 Q C 1.843 177.801 176.000 -0.069 0.000 0.962 57 Q CA 0.925 56.691 55.803 -0.061 0.000 0.879 57 Q CB 0.180 28.885 28.738 -0.056 0.000 0.947 57 Q HN 0.544 nan 8.270 nan 0.000 0.462 58 I N -0.139 120.359 120.570 -0.120 0.000 2.385 58 I HA -0.196 4.017 4.170 0.071 0.000 0.244 58 I C 2.017 177.994 176.117 -0.233 0.000 1.089 58 I CA 0.720 61.920 61.300 -0.167 0.000 1.410 58 I CB -0.272 37.610 38.000 -0.197 0.000 1.117 58 I HN 0.125 nan 8.210 nan 0.000 0.429 59 Q N 1.165 120.832 119.800 -0.221 0.000 2.248 59 Q HA -0.194 4.189 4.340 0.071 0.000 0.208 59 Q C 2.326 178.237 176.000 -0.149 0.000 0.984 59 Q CA 1.712 57.374 55.803 -0.235 0.000 0.875 59 Q CB -0.282 28.351 28.738 -0.175 0.000 0.910 59 Q HN 0.579 nan 8.270 nan 0.000 0.433 60 A N 1.089 123.852 122.820 -0.095 0.000 1.840 60 A HA -0.026 4.337 4.320 0.071 0.000 0.214 60 A C 2.325 179.898 177.584 -0.018 0.000 1.198 60 A CA 1.347 53.362 52.037 -0.036 0.000 0.608 60 A CB -0.889 18.102 19.000 -0.015 0.000 0.839 60 A HN 0.378 nan 8.150 nan 0.000 0.443 61 A N -0.411 122.397 122.820 -0.021 0.000 1.902 61 A HA -0.137 4.225 4.320 0.071 0.000 0.217 61 A C 2.253 179.826 177.584 -0.018 0.000 1.181 61 A CA 1.903 53.980 52.037 0.067 0.000 0.623 61 A CB -0.584 18.523 19.000 0.179 0.000 0.818 61 A HN 0.527 nan 8.150 nan 0.000 0.443 62 M N -1.792 117.575 119.600 -0.387 0.000 2.394 62 M HA 0.074 4.597 4.480 0.071 0.000 0.264 62 M C 1.563 177.856 176.300 -0.012 0.000 1.073 62 M CA 1.051 56.009 55.300 -0.569 0.000 1.111 62 M CB -0.218 31.884 32.600 -0.831 0.000 1.401 62 M HN 0.700 nan 8.290 nan 0.000 0.448 63 G N 1.952 110.760 108.800 0.015 0.000 2.143 63 G HA2 -0.280 3.723 3.960 0.071 0.000 0.249 63 G HA3 -0.280 3.723 3.960 0.071 0.000 0.249 63 G C -0.132 174.938 174.900 0.285 0.000 0.981 63 G CA 0.409 45.597 45.100 0.146 0.000 0.665 63 G HN 0.585 nan 8.290 nan 0.000 0.528 64 F N -2.358 117.540 119.950 -0.088 0.000 2.770 64 F HA 0.741 5.310 4.527 0.070 0.000 0.313 64 F C -1.050 174.710 175.800 -0.066 0.000 1.154 64 F CA -2.228 55.737 58.000 -0.058 0.000 0.923 64 F CB 0.626 39.577 39.000 -0.082 0.000 1.301 64 F HN 0.010 nan 8.300 nan 0.000 0.449 65 K N 2.220 122.602 120.400 -0.030 0.000 2.235 65 K HA 0.459 4.821 4.320 0.071 0.000 0.266 65 K C 0.251 176.818 176.600 -0.055 0.000 0.980 65 K CA -0.807 55.398 56.287 -0.137 0.000 0.849 65 K CB 2.797 35.277 32.500 -0.035 0.000 1.098 65 K HN 0.756 nan 8.250 nan 0.000 0.445 66 I N 2.666 123.144 120.570 -0.154 0.000 2.454 66 I HA -0.246 3.966 4.170 0.071 0.000 0.254 66 I C 1.205 177.310 176.117 -0.020 0.000 1.156 66 I CA 1.775 63.051 61.300 -0.041 0.000 1.433 66 I CB -0.068 37.918 38.000 -0.024 0.000 1.082 66 I HN 0.640 nan 8.210 nan 0.000 0.432 67 D N 0.267 120.666 120.400 -0.002 0.000 2.117 67 D HA -0.163 4.520 4.640 0.071 0.000 0.198 67 D C 1.365 177.685 176.300 0.034 0.000 0.982 67 D CA 1.034 55.053 54.000 0.031 0.000 0.828 67 D CB -0.352 40.477 40.800 0.048 0.000 0.967 67 D HN 0.356 nan 8.370 nan 0.000 0.464 68 D N 1.026 121.453 120.400 0.046 0.000 2.409 68 D HA -0.180 4.503 4.640 0.071 0.000 0.406 68 D C 0.703 177.029 176.300 0.043 0.000 1.349 68 D CA 1.596 55.631 54.000 0.059 0.000 1.303 68 D CB 0.042 40.904 40.800 0.103 0.000 1.900 68 D HN 0.047 nan 8.370 nan 0.000 0.612 69 K N -2.277 118.150 120.400 0.046 0.000 2.594 69 K HA 0.425 4.788 4.320 0.071 0.000 0.274 69 K C -0.048 176.566 176.600 0.024 0.000 1.025 69 K CA 0.630 56.931 56.287 0.023 0.000 1.010 69 K CB 1.144 33.656 32.500 0.021 0.000 1.377 69 K HN 0.399 nan 8.250 nan 0.000 0.429 70 G N 2.596 111.395 108.800 -0.001 0.000 2.184 70 G HA2 -0.376 3.627 3.960 0.071 0.000 0.264 70 G HA3 -0.376 3.627 3.960 0.071 0.000 0.264 70 G C 0.817 175.719 174.900 0.004 0.000 0.975 70 G CA 0.759 45.857 45.100 -0.003 0.000 0.642 70 G HN 0.481 nan 8.290 nan 0.000 0.536 71 M N 0.919 120.529 119.600 0.017 0.000 2.077 71 M HA 0.410 4.933 4.480 0.071 0.000 0.261 71 M C 2.779 179.070 176.300 -0.014 0.000 1.070 71 M CA 2.849 58.175 55.300 0.043 0.000 1.125 71 M CB -0.727 31.948 32.600 0.124 0.000 1.339 71 M HN 0.659 nan 8.290 nan 0.000 0.409 72 A N 0.763 123.516 122.820 -0.112 0.000 1.832 72 A HA -0.037 4.326 4.320 0.071 0.000 0.214 72 A C -0.431 177.026 177.584 -0.212 0.000 1.200 72 A CA 1.575 53.443 52.037 -0.281 0.000 0.610 72 A CB -2.319 16.396 19.000 -0.476 0.000 0.842 72 A HN 0.439 nan 8.150 nan 0.000 0.444 73 P HA -0.132 nan 4.420 nan 0.000 0.223 73 P C 1.349 178.641 177.300 -0.013 0.000 1.144 73 P CA 1.782 64.827 63.100 -0.092 0.000 0.783 73 P CB -0.087 31.566 31.700 -0.080 0.000 0.771 74 A N 0.209 123.027 122.820 -0.004 0.000 1.872 74 A HA -0.068 4.294 4.320 0.071 0.000 0.214 74 A C 2.377 180.006 177.584 0.075 0.000 1.187 74 A CA 0.971 53.042 52.037 0.056 0.000 0.614 74 A CB -1.485 17.534 19.000 0.031 0.000 0.826 74 A HN 0.117 nan 8.150 nan 0.000 0.442 75 L N -0.798 120.446 121.223 0.034 0.000 2.083 75 L HA -0.179 4.204 4.340 0.071 0.000 0.209 75 L C 2.824 179.759 176.870 0.107 0.000 1.083 75 L CA 1.313 56.202 54.840 0.082 0.000 0.752 75 L CB -0.363 41.746 42.059 0.084 0.000 0.899 75 L HN 0.336 nan 8.230 nan 0.000 0.433 76 R N -1.528 118.998 120.500 0.043 0.000 2.115 76 R HA -0.156 4.227 4.340 0.071 0.000 0.226 76 R C 2.268 178.665 176.300 0.162 0.000 1.100 76 R CA 1.044 57.182 56.100 0.064 0.000 0.980 76 R CB -0.439 29.837 30.300 -0.041 0.000 0.875 76 R HN 0.516 nan 8.270 nan 0.000 0.445 77 H N 0.564 119.660 119.070 0.043 0.000 2.326 77 H HA -0.120 4.479 4.556 0.072 0.000 0.301 77 H C 2.145 177.514 175.328 0.068 0.000 1.081 77 H CA 1.362 57.441 56.048 0.051 0.000 1.334 77 H CB 0.198 29.979 29.762 0.033 0.000 1.385 77 H HN 0.079 nan 8.280 nan 0.000 0.504 78 L N 0.667 121.886 121.223 -0.006 0.000 1.990 78 L HA -0.251 4.132 4.340 0.071 0.000 0.213 78 L C 2.409 179.231 176.870 -0.080 0.000 1.072 78 L CA 2.019 56.802 54.840 -0.094 0.000 0.755 78 L CB -1.263 40.785 42.059 -0.017 0.000 0.889 78 L HN 0.290 nan 8.230 nan 0.000 0.432 79 Y N 0.558 120.828 120.300 -0.051 0.000 2.070 79 Y HA -0.291 4.300 4.550 0.069 0.000 0.280 79 Y C 2.460 178.316 175.900 -0.073 0.000 1.148 79 Y CA 2.187 60.277 58.100 -0.016 0.000 1.125 79 Y CB -0.259 38.244 38.460 0.073 0.000 0.975 79 Y HN 0.138 nan 8.280 nan 0.000 0.492 80 K N 0.561 121.020 120.400 0.097 0.000 2.173 80 K HA -0.232 4.131 4.320 0.071 0.000 0.207 80 K C 1.897 178.454 176.600 -0.071 0.000 1.046 80 K CA 1.898 58.196 56.287 0.018 0.000 0.929 80 K CB -0.299 32.268 32.500 0.111 0.000 0.720 80 K HN 0.614 nan 8.250 nan 0.000 0.453 81 E N 0.417 120.547 120.200 -0.117 0.000 2.008 81 E HA -0.136 4.257 4.350 0.071 0.000 0.191 81 E C 2.117 178.693 176.600 -0.039 0.000 0.986 81 E CA 1.091 57.471 56.400 -0.034 0.000 0.807 81 E CB -0.196 29.448 29.700 -0.093 0.000 0.766 81 E HN 0.183 nan 8.360 nan 0.000 0.450 82 L N -0.270 120.733 121.223 -0.367 0.000 2.201 82 L HA -0.069 4.313 4.340 0.071 0.000 0.212 82 L C 1.868 178.262 176.870 -0.793 0.000 1.105 82 L CA 0.950 55.414 54.840 -0.627 0.000 0.775 82 L CB -0.323 41.306 42.059 -0.716 0.000 0.913 82 L HN 0.070 nan 8.230 nan 0.000 0.440 83 M N 1.361 120.565 119.600 -0.659 0.000 3.029 83 M HA 0.325 4.847 4.480 0.071 0.000 0.267 83 M C 0.814 176.816 176.300 -0.496 0.000 1.270 83 M CA -0.124 54.791 55.300 -0.642 0.000 1.101 83 M CB -0.923 31.169 32.600 -0.846 0.000 1.266 83 M HN 0.229 nan 8.290 nan 0.000 0.503 84 G N 1.287 109.711 108.800 -0.627 0.000 2.508 84 G HA2 0.343 4.346 3.960 0.071 0.000 0.278 84 G HA3 0.343 4.346 3.960 0.071 0.000 0.278 84 G C -2.116 172.596 174.900 -0.313 0.000 1.389 84 G CA -0.778 44.119 45.100 -0.339 0.000 1.050 84 G HN 0.219 nan 8.290 nan 0.000 0.522 85 P HA 0.106 nan 4.420 nan 0.000 0.269 85 P C 0.262 177.710 177.300 0.247 0.000 1.461 85 P CA 0.431 63.601 63.100 0.117 0.000 0.809 85 P CB -0.182 31.624 31.700 0.177 0.000 1.503 86 W N -3.194 118.157 121.300 0.085 0.000 2.413 86 W HA 0.347 5.052 4.660 0.074 0.000 0.288 86 W C 0.118 176.769 176.519 0.220 0.000 0.958 86 W CA -0.090 57.364 57.345 0.182 0.000 1.333 86 W CB -0.913 28.641 29.460 0.157 0.000 1.002 86 W HN -0.074 nan 8.180 nan 0.000 0.562 87 N N 1.277 119.799 118.700 -0.296 0.000 2.234 87 N HA 0.041 4.824 4.740 0.071 0.000 0.227 87 N C 1.286 176.716 175.510 -0.132 0.000 1.151 87 N CA -0.188 52.723 53.050 -0.232 0.000 0.865 87 N CB 0.459 38.613 38.487 -0.555 0.000 1.066 87 N HN -0.002 nan 8.380 nan 0.000 0.515 88 K N 0.902 121.248 120.400 -0.090 0.000 2.147 88 K HA -0.139 4.224 4.320 0.071 0.000 0.205 88 K C 1.209 177.794 176.600 -0.026 0.000 1.049 88 K CA 1.408 57.661 56.287 -0.058 0.000 0.936 88 K CB 0.040 32.518 32.500 -0.038 0.000 0.722 88 K HN 0.335 nan 8.250 nan 0.000 0.446 89 D N 0.787 121.174 120.400 -0.022 0.000 2.137 89 D HA -0.136 4.547 4.640 0.071 0.000 0.202 89 D C 1.382 177.661 176.300 -0.034 0.000 0.970 89 D CA 1.186 55.166 54.000 -0.033 0.000 0.837 89 D CB -0.194 40.565 40.800 -0.069 0.000 0.981 89 D HN 0.278 nan 8.370 nan 0.000 0.475 90 E N -0.190 119.989 120.200 -0.035 0.000 2.057 90 E HA 0.157 4.550 4.350 0.071 0.000 0.191 90 E C 0.726 177.335 176.600 0.015 0.000 0.959 90 E CA -0.173 56.165 56.400 -0.104 0.000 0.828 90 E CB 0.533 30.202 29.700 -0.052 0.000 0.800 90 E HN 0.093 nan 8.360 nan 0.000 0.460 91 I N 0.729 121.362 120.570 0.104 0.000 2.764 91 I HA 0.204 4.416 4.170 0.071 0.000 0.294 91 I C -0.334 175.849 176.117 0.111 0.000 1.045 91 I CA 0.189 61.572 61.300 0.138 0.000 1.340 91 I CB 1.514 39.529 38.000 0.024 0.000 1.436 91 I HN -0.033 nan 8.210 nan 0.000 0.567 92 S N 2.177 117.982 115.700 0.175 0.000 2.511 92 S HA 0.290 4.803 4.470 0.071 0.000 0.283 92 S C -0.464 174.261 174.600 0.208 0.000 1.078 92 S CA -0.704 57.596 58.200 0.167 0.000 0.994 92 S CB 1.409 64.730 63.200 0.202 0.000 1.171 92 S HN 0.826 nan 8.310 nan 0.000 0.444 93 T N -0.066 114.593 114.554 0.175 0.000 2.916 93 T HA 0.894 5.286 4.350 0.071 0.000 0.292 93 T C -0.667 174.160 174.700 0.210 0.000 1.064 93 T CA -0.671 61.551 62.100 0.202 0.000 1.011 93 T CB 2.299 71.295 68.868 0.214 0.000 1.152 93 T HN 0.462 nan 8.240 nan 0.000 0.510 94 T N 1.030 115.696 114.554 0.185 0.000 3.291 94 T HA 0.461 4.854 4.350 0.071 0.000 0.344 94 T C -2.299 172.509 174.700 0.180 0.000 1.293 94 T CA -0.644 61.577 62.100 0.201 0.000 1.108 94 T CB 1.299 70.279 68.868 0.187 0.000 1.231 94 T HN 0.752 nan 8.240 nan 0.000 0.474 95 D N 2.277 122.774 120.400 0.161 0.000 2.498 95 D HA 0.739 5.422 4.640 0.071 0.000 0.247 95 D C -0.744 175.539 176.300 -0.029 0.000 1.070 95 D CA -0.334 53.688 54.000 0.037 0.000 0.842 95 D CB 2.055 42.814 40.800 -0.068 0.000 1.361 95 D HN 0.777 nan 8.370 nan 0.000 0.484 96 A N 2.040 124.743 122.820 -0.194 0.000 2.517 96 A HA 0.629 4.991 4.320 0.071 0.000 0.297 96 A C -1.225 175.975 177.584 -0.641 0.000 1.050 96 A CA -0.645 51.007 52.037 -0.642 0.000 0.694 96 A CB 1.086 19.417 19.000 -1.116 0.000 1.277 96 A HN 0.495 nan 8.150 nan 0.000 0.400 97 I N 1.975 122.075 120.570 -0.783 0.000 2.389 97 I HA 0.412 4.625 4.170 0.071 0.000 0.288 97 I C -1.413 174.277 176.117 -0.712 0.000 0.999 97 I CA -0.292 60.688 61.300 -0.534 0.000 1.129 97 I CB 1.420 39.209 38.000 -0.352 0.000 1.288 97 I HN 0.555 nan 8.210 nan 0.000 0.444 98 F N 6.363 126.221 119.950 -0.153 0.000 2.375 98 F HA 0.486 5.055 4.527 0.071 0.000 0.361 98 F C 0.084 175.915 175.800 0.051 0.000 1.117 98 F CA -0.746 57.206 58.000 -0.080 0.000 1.037 98 F CB 1.574 40.562 39.000 -0.021 0.000 1.192 98 F HN 0.105 nan 8.300 nan 0.000 0.452 99 V N 3.511 123.502 119.914 0.129 0.000 2.815 99 V HA 0.454 4.617 4.120 0.071 0.000 0.314 99 V C -0.500 175.736 176.094 0.236 0.000 1.064 99 V CA -0.810 61.556 62.300 0.110 0.000 0.952 99 V CB 1.944 33.718 31.823 -0.082 0.000 1.020 99 V HN 0.713 nan 8.190 nan 0.000 0.439 100 Q N 3.344 123.302 119.800 0.263 0.000 2.269 100 Q HA 0.024 4.406 4.340 0.071 0.000 0.300 100 Q C 1.012 177.069 176.000 0.095 0.000 1.070 100 Q CA 0.929 56.891 55.803 0.265 0.000 0.957 100 Q CB 0.692 29.527 28.738 0.161 0.000 1.131 100 Q HN 0.697 nan 8.270 nan 0.000 0.377 101 R N 3.228 123.767 120.500 0.064 0.000 2.127 101 R HA -0.174 4.209 4.340 0.071 0.000 0.238 101 R C 0.975 177.283 176.300 0.014 0.000 1.134 101 R CA 2.168 58.277 56.100 0.016 0.000 0.975 101 R CB -0.242 30.058 30.300 -0.001 0.000 0.865 101 R HN 0.913 nan 8.270 nan 0.000 0.447 102 D N -0.450 119.966 120.400 0.027 0.000 2.178 102 D HA -0.080 4.603 4.640 0.071 0.000 0.201 102 D C 0.082 176.385 176.300 0.004 0.000 0.980 102 D CA 0.615 54.625 54.000 0.017 0.000 0.842 102 D CB 0.045 40.860 40.800 0.026 0.000 0.948 102 D HN 0.166 nan 8.370 nan 0.000 0.472 103 L N 0.485 121.707 121.223 -0.002 0.000 2.506 103 L HA -0.004 4.379 4.340 0.071 0.000 0.281 103 L C 0.625 177.480 176.870 -0.025 0.000 1.228 103 L CA -0.070 54.758 54.840 -0.021 0.000 0.850 103 L CB 0.235 42.268 42.059 -0.043 0.000 1.110 103 L HN -0.064 nan 8.230 nan 0.000 0.496 104 K N 4.208 124.593 120.400 -0.025 0.000 2.244 104 K HA 0.358 4.721 4.320 0.071 0.000 0.263 104 K C -0.653 175.926 176.600 -0.034 0.000 1.103 104 K CA -0.105 56.170 56.287 -0.019 0.000 0.966 104 K CB -0.191 32.303 32.500 -0.010 0.000 1.429 104 K HN 0.398 nan 8.250 nan 0.000 0.434 105 L N 3.632 124.829 121.223 -0.042 0.000 2.439 105 L HA 0.224 4.607 4.340 0.071 0.000 0.269 105 L C 0.212 177.073 176.870 -0.016 0.000 1.179 105 L CA -1.123 53.672 54.840 -0.075 0.000 0.828 105 L CB 0.912 42.925 42.059 -0.076 0.000 1.106 105 L HN 0.226 nan 8.230 nan 0.000 0.467 106 V N 2.391 122.290 119.914 -0.025 0.000 2.557 106 V HA -0.115 4.047 4.120 0.071 0.000 0.301 106 V C 0.676 176.845 176.094 0.124 0.000 1.026 106 V CA 0.161 62.491 62.300 0.050 0.000 1.137 106 V CB 0.720 32.583 31.823 0.067 0.000 0.917 106 V HN 0.835 nan 8.190 nan 0.000 0.484 107 Q N 4.125 123.979 119.800 0.089 0.000 2.263 107 Q HA 0.280 4.662 4.340 0.071 0.000 0.289 107 Q C 1.191 177.260 176.000 0.115 0.000 1.061 107 Q CA 0.911 56.769 55.803 0.090 0.000 0.927 107 Q CB 0.187 28.958 28.738 0.054 0.000 1.154 107 Q HN 1.144 nan 8.270 nan 0.000 0.378 108 G N 3.667 112.542 108.800 0.124 0.000 2.217 108 G HA2 -0.375 3.628 3.960 0.071 0.000 0.246 108 G HA3 -0.375 3.628 3.960 0.071 0.000 0.246 108 G C 0.198 175.206 174.900 0.181 0.000 0.990 108 G CA 0.269 45.439 45.100 0.117 0.000 0.627 108 G HN 0.752 nan 8.290 nan 0.000 0.522 109 F N 1.568 121.586 119.950 0.115 0.000 2.010 109 F HA -0.031 4.538 4.527 0.070 0.000 0.296 109 F C 2.792 178.721 175.800 0.216 0.000 1.146 109 F CA 2.865 60.969 58.000 0.174 0.000 1.181 109 F CB -0.302 38.763 39.000 0.109 0.000 0.965 109 F HN 0.146 nan 8.300 nan 0.000 0.480 110 M N 0.944 120.617 119.600 0.121 0.000 2.088 110 M HA -0.184 4.338 4.480 0.071 0.000 0.256 110 M C -0.238 176.094 176.300 0.054 0.000 1.071 110 M CA 2.297 57.606 55.300 0.015 0.000 1.097 110 M CB -2.915 29.753 32.600 0.113 0.000 1.315 110 M HN 0.147 nan 8.290 nan 0.000 0.406 111 P HA -0.175 nan 4.420 nan 0.000 0.220 111 P C 1.517 178.924 177.300 0.179 0.000 1.148 111 P CA 1.537 64.720 63.100 0.139 0.000 0.803 111 P CB -0.464 31.295 31.700 0.099 0.000 0.782 112 H N -1.275 117.801 119.070 0.010 0.000 2.363 112 H HA -0.078 4.521 4.556 0.072 0.000 0.301 112 H C 1.923 177.232 175.328 -0.032 0.000 1.074 112 H CA 0.774 56.808 56.048 -0.023 0.000 1.354 112 H CB -0.327 29.408 29.762 -0.045 0.000 1.397 112 H HN -0.048 nan 8.280 nan 0.000 0.516 113 F N 0.659 120.400 119.950 -0.348 0.000 2.134 113 F HA -0.202 4.366 4.527 0.070 0.000 0.299 113 F C 2.222 177.993 175.800 -0.048 0.000 1.097 113 F CA 1.363 59.180 58.000 -0.305 0.000 1.264 113 F CB -0.686 37.987 39.000 -0.545 0.000 1.001 113 F HN 0.130 nan 8.300 nan 0.000 0.479 114 F N 0.986 121.024 119.950 0.147 0.000 2.234 114 F HA -0.077 4.492 4.527 0.070 0.000 0.299 114 F C 2.660 178.447 175.800 -0.022 0.000 1.087 114 F CA 1.589 59.653 58.000 0.108 0.000 1.340 114 F CB -0.520 38.538 39.000 0.096 0.000 1.031 114 F HN -0.118 nan 8.300 nan 0.000 0.500 115 R N 0.277 120.779 120.500 0.003 0.000 2.081 115 R HA -0.140 4.243 4.340 0.071 0.000 0.235 115 R C 2.078 178.208 176.300 -0.284 0.000 1.131 115 R CA 1.859 57.904 56.100 -0.091 0.000 0.960 115 R CB -0.378 29.923 30.300 0.002 0.000 0.856 115 R HN 0.376 nan 8.270 nan 0.000 0.436 116 L N -0.950 120.014 121.223 -0.432 0.000 2.162 116 L HA 0.000 4.383 4.340 0.071 0.000 0.205 116 L C 1.280 177.561 176.870 -0.980 0.000 1.086 116 L CA 0.899 55.303 54.840 -0.727 0.000 0.778 116 L CB -0.071 41.397 42.059 -0.985 0.000 0.928 116 L HN 0.162 nan 8.230 nan 0.000 0.446 117 F N -1.126 118.492 119.950 -0.553 0.000 2.682 117 F HA 0.260 4.830 4.527 0.073 0.000 0.308 117 F C 0.734 176.241 175.800 -0.489 0.000 1.093 117 F CA -0.621 57.054 58.000 -0.541 0.000 1.244 117 F CB 0.118 38.658 39.000 -0.766 0.000 1.052 117 F HN -0.183 nan 8.300 nan 0.000 0.573 118 R N 0.754 120.923 120.500 -0.551 0.000 3.387 118 R HA -0.221 4.162 4.340 0.071 0.000 0.254 118 R C -0.347 175.602 176.300 -0.585 0.000 1.006 118 R CA 0.693 56.254 56.100 -0.899 0.000 0.677 118 R CB -1.830 28.194 30.300 -0.460 0.000 1.063 118 R HN 0.293 nan 8.270 nan 0.000 0.453 119 S N -2.606 112.945 115.700 -0.247 0.000 2.672 119 S HA 0.791 5.304 4.470 0.071 0.000 0.271 119 S C -0.615 174.368 174.600 0.639 0.000 1.171 119 S CA -0.040 58.340 58.200 0.300 0.000 0.817 119 S CB 1.457 64.781 63.200 0.206 0.000 1.150 119 S HN 0.342 nan 8.310 nan 0.000 0.478 120 T N -1.116 113.647 114.554 0.350 0.000 2.858 120 T HA 0.764 5.157 4.350 0.071 0.000 0.285 120 T C -1.139 173.338 174.700 -0.372 0.000 1.052 120 T CA -0.688 61.438 62.100 0.043 0.000 1.009 120 T CB 1.047 69.921 68.868 0.010 0.000 1.241 120 T HN 0.468 nan 8.240 nan 0.000 0.542 121 V N 2.549 122.163 119.914 -0.501 0.000 2.347 121 V HA 0.393 4.555 4.120 0.071 0.000 0.280 121 V C -0.196 175.663 176.094 -0.392 0.000 1.021 121 V CA -1.015 60.962 62.300 -0.538 0.000 0.847 121 V CB 1.216 32.773 31.823 -0.443 0.000 0.990 121 V HN 0.749 nan 8.190 nan 0.000 0.444 122 K N 4.666 124.747 120.400 -0.532 0.000 2.368 122 K HA 0.258 4.621 4.320 0.071 0.000 0.282 122 K C -0.148 176.366 176.600 -0.144 0.000 1.035 122 K CA 0.032 56.103 56.287 -0.360 0.000 0.973 122 K CB 0.558 32.758 32.500 -0.500 0.000 0.957 122 K HN 0.623 nan 8.250 nan 0.000 0.474 123 Q N 1.877 121.632 119.800 -0.074 0.000 2.456 123 Q HA 0.241 4.624 4.340 0.071 0.000 0.234 123 Q C -0.591 175.388 176.000 -0.036 0.000 1.061 123 Q CA -0.444 55.340 55.803 -0.032 0.000 0.896 123 Q CB 1.086 29.804 28.738 -0.033 0.000 1.233 123 Q HN 0.248 nan 8.270 nan 0.000 0.506 124 V N 1.973 121.841 119.914 -0.076 0.000 2.539 124 V HA 0.126 4.288 4.120 0.071 0.000 0.292 124 V C -0.109 175.787 176.094 -0.330 0.000 1.045 124 V CA -0.602 61.517 62.300 -0.300 0.000 0.945 124 V CB 1.816 33.243 31.823 -0.659 0.000 0.993 124 V HN 0.591 nan 8.190 nan 0.000 0.464 125 D N 2.995 123.241 120.400 -0.256 0.000 2.428 125 D HA 0.264 4.947 4.640 0.071 0.000 0.221 125 D C 0.367 176.582 176.300 -0.141 0.000 1.123 125 D CA -0.276 53.664 54.000 -0.100 0.000 0.869 125 D CB 0.556 41.327 40.800 -0.047 0.000 1.032 125 D HN 0.355 nan 8.370 nan 0.000 0.506 126 F N 1.540 121.475 119.950 -0.025 0.000 2.802 126 F HA 0.007 4.575 4.527 0.068 0.000 0.300 126 F C 2.345 178.132 175.800 -0.022 0.000 1.168 126 F CA -0.031 57.951 58.000 -0.030 0.000 1.433 126 F CB -0.048 38.927 39.000 -0.040 0.000 1.115 126 F HN 0.273 nan 8.300 nan 0.000 0.582 127 S N -0.755 115.019 115.700 0.123 0.000 2.355 127 S HA -0.168 4.345 4.470 0.071 0.000 0.222 127 S C 1.101 175.725 174.600 0.040 0.000 1.031 127 S CA 0.819 59.060 58.200 0.069 0.000 0.993 127 S CB -0.206 63.020 63.200 0.043 0.000 0.859 127 S HN 0.206 nan 8.310 nan 0.000 0.453 128 E N 1.957 122.167 120.200 0.015 0.000 1.852 128 E HA 0.231 4.623 4.350 0.071 0.000 0.276 128 E C 0.774 177.370 176.600 -0.007 0.000 1.163 128 E CA -0.183 56.213 56.400 -0.006 0.000 1.117 128 E CB -0.172 29.513 29.700 -0.024 0.000 1.124 128 E HN 0.043 nan 8.360 nan 0.000 0.458 129 V N 2.626 122.551 119.914 0.019 0.000 2.252 129 V HA -0.300 3.863 4.120 0.071 0.000 0.249 129 V C 2.146 178.249 176.094 0.016 0.000 1.056 129 V CA 2.098 64.419 62.300 0.035 0.000 1.022 129 V CB -0.566 31.284 31.823 0.044 0.000 0.641 129 V HN 0.540 nan 8.190 nan 0.000 0.445 130 E N 1.368 121.572 120.200 0.007 0.000 2.033 130 E HA -0.270 4.123 4.350 0.071 0.000 0.199 130 E C 2.193 178.810 176.600 0.028 0.000 1.011 130 E CA 2.219 58.624 56.400 0.009 0.000 0.815 130 E CB -0.360 29.330 29.700 -0.016 0.000 0.755 130 E HN 0.750 nan 8.360 nan 0.000 0.451 131 R N 0.093 120.595 120.500 0.003 0.000 2.189 131 R HA 0.214 4.597 4.340 0.071 0.000 0.218 131 R C 2.174 178.503 176.300 0.047 0.000 1.074 131 R CA 1.186 57.317 56.100 0.051 0.000 0.991 131 R CB -0.696 29.595 30.300 -0.014 0.000 0.883 131 R HN 0.154 nan 8.270 nan 0.000 0.457 132 A N 2.621 125.402 122.820 -0.066 0.000 1.873 132 A HA -0.162 4.200 4.320 0.071 0.000 0.215 132 A C 2.061 179.515 177.584 -0.215 0.000 1.186 132 A CA 1.411 53.305 52.037 -0.240 0.000 0.616 132 A CB -0.464 18.353 19.000 -0.305 0.000 0.823 132 A HN 0.534 nan 8.150 nan 0.000 0.442 133 R N -1.627 118.828 120.500 -0.075 0.000 2.323 133 R HA 0.163 4.546 4.340 0.071 0.000 0.198 133 R C 1.469 177.764 176.300 -0.008 0.000 0.988 133 R CA 1.063 57.131 56.100 -0.053 0.000 1.041 133 R CB -0.450 29.857 30.300 0.011 0.000 0.926 133 R HN 0.523 nan 8.270 nan 0.000 0.476 134 F N 0.956 120.841 119.950 -0.109 0.000 2.399 134 F HA 0.299 4.869 4.527 0.072 0.000 0.282 134 F C 1.756 177.517 175.800 -0.064 0.000 1.027 134 F CA 0.151 58.114 58.000 -0.063 0.000 1.333 134 F CB 0.037 39.010 39.000 -0.045 0.000 1.132 134 F HN -0.165 nan 8.300 nan 0.000 0.590 135 I N 0.966 121.464 120.570 -0.118 0.000 2.248 135 I HA -0.346 3.867 4.170 0.071 0.000 0.248 135 I C 2.230 178.188 176.117 -0.265 0.000 1.107 135 I CA 1.590 62.782 61.300 -0.180 0.000 1.373 135 I CB -0.471 37.495 38.000 -0.056 0.000 1.055 135 I HN 0.267 nan 8.210 nan 0.000 0.418 136 I N 0.356 120.659 120.570 -0.445 0.000 2.094 136 I HA -0.277 3.935 4.170 0.071 0.000 0.234 136 I C 2.304 178.317 176.117 -0.172 0.000 1.063 136 I CA 1.309 62.248 61.300 -0.602 0.000 1.328 136 I CB -0.653 36.898 38.000 -0.748 0.000 1.058 136 I HN 0.246 nan 8.210 nan 0.000 0.400 137 N N 0.830 119.428 118.700 -0.171 0.000 2.091 137 N HA -0.266 4.516 4.740 0.071 0.000 0.193 137 N C 1.489 176.936 175.510 -0.105 0.000 1.021 137 N CA 1.943 54.947 53.050 -0.077 0.000 0.862 137 N CB -0.578 37.879 38.487 -0.050 0.000 1.018 137 N HN 0.375 nan 8.380 nan 0.000 0.429 138 D N 0.107 120.320 120.400 -0.310 0.000 2.144 138 D HA -0.140 4.543 4.640 0.071 0.000 0.200 138 D C 1.802 178.080 176.300 -0.036 0.000 0.978 138 D CA 0.635 54.443 54.000 -0.320 0.000 0.833 138 D CB -0.082 40.266 40.800 -0.753 0.000 0.961 138 D HN 0.363 nan 8.370 nan 0.000 0.470 139 W N 0.886 122.150 121.300 -0.059 0.000 2.338 139 W HA -0.207 4.492 4.660 0.066 0.000 0.304 139 W C 1.537 178.167 176.519 0.185 0.000 1.212 139 W CA 1.000 58.420 57.345 0.126 0.000 1.264 139 W CB -0.540 29.036 29.460 0.193 0.000 1.142 139 W HN -0.110 nan 8.180 nan 0.000 0.512 140 V N 1.932 121.996 119.914 0.249 0.000 2.237 140 V HA -0.342 3.821 4.120 0.071 0.000 0.245 140 V C 2.743 178.856 176.094 0.033 0.000 1.046 140 V CA 2.500 64.890 62.300 0.150 0.000 1.007 140 V CB -1.213 30.700 31.823 0.150 0.000 0.638 140 V HN 0.072 nan 8.190 nan 0.000 0.445 141 K N 0.553 120.956 120.400 0.004 0.000 2.044 141 K HA -0.251 4.111 4.320 0.071 0.000 0.210 141 K C 2.130 178.677 176.600 -0.088 0.000 1.049 141 K CA 2.490 58.753 56.287 -0.039 0.000 0.927 141 K CB -0.596 31.879 32.500 -0.041 0.000 0.713 141 K HN 0.696 nan 8.250 nan 0.000 0.443 142 T N -0.740 113.742 114.554 -0.120 0.000 2.867 142 T HA -0.082 4.311 4.350 0.071 0.000 0.268 142 T C 1.576 176.018 174.700 -0.430 0.000 1.057 142 T CA 1.060 63.004 62.100 -0.259 0.000 1.136 142 T CB -0.382 68.297 68.868 -0.315 0.000 0.874 142 T HN 0.401 nan 8.240 nan 0.000 0.466 143 H N 1.224 120.095 119.070 -0.331 0.000 2.551 143 H HA 0.172 4.768 4.556 0.068 0.000 0.271 143 H C 1.371 176.624 175.328 -0.125 0.000 0.984 143 H CA 1.095 56.972 56.048 -0.286 0.000 1.164 143 H CB 0.269 29.749 29.762 -0.469 0.000 1.437 143 H HN 0.530 nan 8.280 nan 0.000 0.550 144 T N -0.998 113.545 114.554 -0.017 0.000 3.248 144 T HA 0.118 4.510 4.350 0.071 0.000 0.271 144 T C 0.577 175.230 174.700 -0.077 0.000 1.005 144 T CA -0.626 61.478 62.100 0.006 0.000 0.902 144 T CB 0.105 68.990 68.868 0.028 0.000 1.102 144 T HN -0.028 nan 8.240 nan 0.000 0.548 145 K N 0.789 121.129 120.400 -0.100 0.000 3.088 145 K HA -0.236 4.127 4.320 0.071 0.000 0.273 145 K C 1.323 177.837 176.600 -0.143 0.000 1.111 145 K CA 0.874 57.087 56.287 -0.122 0.000 0.803 145 K CB -2.260 30.176 32.500 -0.106 0.000 1.226 145 K HN 1.171 nan 8.250 nan 0.000 0.485 146 G N -0.378 108.343 108.800 -0.131 0.000 2.205 146 G HA2 -0.406 3.596 3.960 0.071 0.000 0.261 146 G HA3 -0.406 3.596 3.960 0.071 0.000 0.261 146 G C 0.977 175.793 174.900 -0.140 0.000 0.980 146 G CA 0.614 45.645 45.100 -0.115 0.000 0.632 146 G HN 0.197 nan 8.290 nan 0.000 0.533 147 M N -0.189 119.277 119.600 -0.224 0.000 2.117 147 M HA 0.217 4.740 4.480 0.071 0.000 0.262 147 M C 1.507 177.692 176.300 -0.192 0.000 1.065 147 M CA 1.184 56.278 55.300 -0.343 0.000 1.114 147 M CB -0.546 31.585 32.600 -0.782 0.000 1.361 147 M HN 0.357 nan 8.290 nan 0.000 0.408 148 I N 0.719 121.227 120.570 -0.103 0.000 2.382 148 I HA 0.065 4.278 4.170 0.071 0.000 0.285 148 I C 0.905 177.003 176.117 -0.033 0.000 1.007 148 I CA -0.282 60.985 61.300 -0.054 0.000 1.142 148 I CB 1.468 39.465 38.000 -0.004 0.000 1.289 148 I HN 0.137 nan 8.210 nan 0.000 0.453 149 S N 4.546 120.246 115.700 -0.000 0.000 2.517 149 S HA 0.152 4.665 4.470 0.071 0.000 0.214 149 S C 0.349 175.041 174.600 0.153 0.000 0.991 149 S CA 0.030 58.276 58.200 0.076 0.000 0.906 149 S CB -0.051 63.225 63.200 0.127 0.000 0.789 149 S HN 0.744 nan 8.310 nan 0.000 0.513 150 H N -0.923 118.151 119.070 0.007 0.000 3.042 150 H HA 0.574 5.152 4.556 0.038 0.000 0.346 150 H C -2.016 173.328 175.328 0.026 0.000 1.294 150 H CA -1.291 54.763 56.048 0.010 0.000 1.141 150 H CB 0.564 30.334 29.762 0.012 0.000 1.872 150 H HN 0.121 nan 8.280 nan 0.000 0.541 151 L N 2.884 124.147 121.223 0.067 0.000 2.345 151 L HA 0.258 4.641 4.340 0.071 0.000 0.274 151 L C 1.520 178.447 176.870 0.096 0.000 0.999 151 L CA -0.682 54.174 54.840 0.027 0.000 0.849 151 L CB 1.878 43.959 42.059 0.036 0.000 1.220 151 L HN 0.526 nan 8.230 nan 0.000 0.422 152 L N 2.450 123.739 121.223 0.111 0.000 2.263 152 L HA -0.159 4.224 4.340 0.071 0.000 0.216 152 L C 2.282 179.194 176.870 0.070 0.000 1.111 152 L CA 1.515 56.428 54.840 0.122 0.000 0.773 152 L CB -0.419 41.705 42.059 0.108 0.000 0.906 152 L HN 0.901 nan 8.230 nan 0.000 0.439 153 G N -0.409 108.422 108.800 0.052 0.000 2.484 153 G HA2 -0.210 3.793 3.960 0.071 0.000 0.218 153 G HA3 -0.210 3.793 3.960 0.071 0.000 0.218 153 G C 1.595 176.515 174.900 0.032 0.000 1.130 153 G CA 0.947 46.068 45.100 0.035 0.000 0.784 153 G HN 0.468 nan 8.290 nan 0.000 0.543 154 T N -1.655 112.921 114.554 0.038 0.000 3.155 154 T HA 0.118 4.511 4.350 0.071 0.000 0.264 154 T C 2.152 176.872 174.700 0.034 0.000 1.160 154 T CA 1.083 63.200 62.100 0.028 0.000 1.075 154 T CB 0.024 68.900 68.868 0.014 0.000 0.921 154 T HN 0.150 nan 8.240 nan 0.000 0.533 155 G N 0.345 109.166 108.800 0.036 0.000 2.712 155 G HA2 0.340 4.343 3.960 0.071 0.000 0.212 155 G HA3 0.340 4.343 3.960 0.071 0.000 0.212 155 G C 1.453 176.366 174.900 0.022 0.000 1.142 155 G CA 0.250 45.369 45.100 0.030 0.000 0.789 155 G HN 0.682 nan 8.290 nan 0.000 0.535 156 A N -0.181 122.650 122.820 0.018 0.000 2.195 156 A HA 0.511 4.874 4.320 0.071 0.000 0.210 156 A C 0.862 178.449 177.584 0.004 0.000 1.165 156 A CA -0.043 51.997 52.037 0.005 0.000 0.806 156 A CB 0.258 19.256 19.000 -0.004 0.000 0.847 156 A HN 0.111 nan 8.150 nan 0.000 0.482 157 V N 2.600 122.529 119.914 0.025 0.000 2.572 157 V HA 0.195 4.358 4.120 0.071 0.000 0.291 157 V C 0.458 176.588 176.094 0.060 0.000 1.039 157 V CA 0.292 62.625 62.300 0.054 0.000 1.055 157 V CB 0.551 32.447 31.823 0.122 0.000 0.969 157 V HN 0.797 nan 8.190 nan 0.000 0.482 158 Q N 3.873 123.699 119.800 0.044 0.000 3.093 158 Q HA 0.397 4.779 4.340 0.071 0.000 0.330 158 Q C 0.366 176.404 176.000 0.064 0.000 0.947 158 Q CA -0.807 55.021 55.803 0.042 0.000 0.801 158 Q CB 1.319 30.060 28.738 0.004 0.000 1.470 158 Q HN 0.528 nan 8.270 nan 0.000 0.498 159 Q N 0.112 119.939 119.800 0.044 0.000 2.187 159 Q HA 0.053 4.436 4.340 0.071 0.000 0.199 159 Q C 1.566 177.569 176.000 0.004 0.000 0.957 159 Q CA 1.334 57.170 55.803 0.054 0.000 0.857 159 Q CB -0.363 28.398 28.738 0.038 0.000 0.929 159 Q HN 0.487 nan 8.270 nan 0.000 0.453 160 L N 1.255 122.458 121.223 -0.033 0.000 2.650 160 L HA 0.097 4.480 4.340 0.071 0.000 0.235 160 L C 0.109 176.888 176.870 -0.151 0.000 1.149 160 L CA 0.355 55.157 54.840 -0.063 0.000 0.887 160 L CB -0.458 41.577 42.059 -0.040 0.000 1.021 160 L HN 0.022 nan 8.230 nan 0.000 0.441 161 T N 0.566 114.965 114.554 -0.258 0.000 2.832 161 T HA 0.257 4.649 4.350 0.071 0.000 0.296 161 T C 1.201 175.359 174.700 -0.904 0.000 0.968 161 T CA -0.330 61.423 62.100 -0.578 0.000 1.107 161 T CB 1.089 69.536 68.868 -0.702 0.000 0.916 161 T HN 0.228 nan 8.240 nan 0.000 0.517 162 R N 1.473 121.518 120.500 -0.759 0.000 2.435 162 R HA 0.318 4.701 4.340 0.071 0.000 0.221 162 R C -0.532 175.473 176.300 -0.491 0.000 0.885 162 R CA -0.256 55.512 56.100 -0.553 0.000 1.018 162 R CB 0.367 30.504 30.300 -0.272 0.000 1.259 162 R HN 0.389 nan 8.270 nan 0.000 0.597 163 L N 0.831 121.723 121.223 -0.552 0.000 2.543 163 L HA 0.467 4.850 4.340 0.071 0.000 0.265 163 L C -1.531 175.181 176.870 -0.263 0.000 0.945 163 L CA -0.755 53.876 54.840 -0.347 0.000 0.869 163 L CB 2.449 44.237 42.059 -0.451 0.000 1.294 163 L HN -0.254 nan 8.230 nan 0.000 0.405 164 V N 4.795 124.687 119.914 -0.037 0.000 3.040 164 V HA 0.626 4.789 4.120 0.071 0.000 0.312 164 V C -0.912 175.229 176.094 0.078 0.000 1.115 164 V CA -0.726 61.607 62.300 0.056 0.000 0.998 164 V CB 2.234 34.180 31.823 0.205 0.000 1.042 164 V HN 0.760 nan 8.190 nan 0.000 0.433 165 L N 2.847 124.117 121.223 0.079 0.000 2.410 165 L HA 0.862 5.245 4.340 0.071 0.000 0.270 165 L C -1.546 175.382 176.870 0.097 0.000 0.983 165 L CA -0.348 54.525 54.840 0.055 0.000 0.822 165 L CB 1.937 44.023 42.059 0.044 0.000 1.285 165 L HN 0.502 nan 8.230 nan 0.000 0.409 166 V N 4.294 124.263 119.914 0.091 0.000 2.925 166 V HA 0.530 4.693 4.120 0.071 0.000 0.311 166 V C -0.906 175.233 176.094 0.074 0.000 1.104 166 V CA -0.723 61.648 62.300 0.117 0.000 0.954 166 V CB 2.251 34.206 31.823 0.220 0.000 1.022 166 V HN 0.833 nan 8.190 nan 0.000 0.427 167 N N 1.875 120.613 118.700 0.065 0.000 2.454 167 N HA 0.718 5.501 4.740 0.071 0.000 0.291 167 N C -1.270 174.273 175.510 0.054 0.000 1.079 167 N CA -0.195 52.875 53.050 0.033 0.000 0.893 167 N CB 2.111 40.575 38.487 -0.038 0.000 1.512 167 N HN 0.909 nan 8.380 nan 0.000 0.497 168 A N 4.642 127.516 122.820 0.090 0.000 2.375 168 A HA 0.604 4.967 4.320 0.071 0.000 0.295 168 A C -1.362 176.312 177.584 0.150 0.000 1.066 168 A CA -0.570 51.534 52.037 0.113 0.000 0.722 168 A CB 1.014 20.088 19.000 0.123 0.000 1.206 168 A HN 0.528 nan 8.150 nan 0.000 0.435 169 L N 1.916 123.257 121.223 0.196 0.000 2.354 169 L HA 0.595 4.978 4.340 0.071 0.000 0.269 169 L C -1.203 175.887 176.870 0.366 0.000 1.005 169 L CA -0.665 54.361 54.840 0.310 0.000 0.819 169 L CB 2.029 44.335 42.059 0.412 0.000 1.311 169 L HN 0.846 nan 8.230 nan 0.000 0.423 170 Y N 2.622 123.056 120.300 0.224 0.000 2.457 170 Y HA 0.607 5.193 4.550 0.060 0.000 0.343 170 Y C -1.707 174.252 175.900 0.099 0.000 0.994 170 Y CA -1.246 56.912 58.100 0.097 0.000 1.031 170 Y CB 1.984 40.467 38.460 0.039 0.000 1.246 170 Y HN 0.361 nan 8.280 nan 0.000 0.449 171 F N 6.943 126.079 119.950 -1.356 0.000 2.689 171 F HA 0.423 4.990 4.527 0.066 0.000 0.332 171 F C -1.942 173.197 175.800 -1.101 0.000 1.209 171 F CA -0.772 56.561 58.000 -1.113 0.000 1.028 171 F CB 1.032 39.327 39.000 -1.176 0.000 1.291 171 F HN 0.552 nan 8.300 nan 0.000 0.500 172 N N 4.128 122.009 118.700 -1.366 0.000 2.446 172 N HA 0.386 5.169 4.740 0.071 0.000 0.265 172 N C 0.932 175.738 175.510 -1.174 0.000 0.975 172 N CA 0.584 53.026 53.050 -1.014 0.000 0.928 172 N CB 1.801 40.041 38.487 -0.412 0.000 1.160 172 N HN 0.911 nan 8.380 nan 0.000 0.495 173 G N 2.206 110.295 108.800 -1.185 0.000 3.901 173 G HA2 -0.293 3.710 3.960 0.071 0.000 0.234 173 G HA3 -0.293 3.710 3.960 0.071 0.000 0.234 173 G C -0.299 174.269 174.900 -0.553 0.000 0.906 173 G CA 1.039 45.577 45.100 -0.937 0.000 0.722 173 G HN 0.784 nan 8.290 nan 0.000 1.399 174 Q N -1.119 118.406 119.800 -0.458 0.000 2.298 174 Q HA -0.110 4.272 4.340 0.071 0.000 0.305 174 Q C -0.772 175.290 176.000 0.104 0.000 1.275 174 Q CA 0.269 55.995 55.803 -0.127 0.000 0.693 174 Q CB -1.378 27.322 28.738 -0.064 0.000 0.975 174 Q HN 0.529 nan 8.270 nan 0.000 0.335 175 W N 2.231 123.649 121.300 0.197 0.000 2.112 175 W HA 0.053 4.757 4.660 0.072 0.000 0.349 175 W C 1.764 178.339 176.519 0.093 0.000 1.289 175 W CA 0.112 57.507 57.345 0.083 0.000 1.256 175 W CB 0.274 29.763 29.460 0.047 0.000 1.148 175 W HN 0.434 nan 8.180 nan 0.000 0.590 176 K N -0.513 120.096 120.400 0.348 0.000 2.155 176 K HA 0.042 4.405 4.320 0.071 0.000 0.203 176 K C 0.363 177.031 176.600 0.114 0.000 1.052 176 K CA 1.046 57.450 56.287 0.195 0.000 0.948 176 K CB -0.177 32.395 32.500 0.120 0.000 0.728 176 K HN 0.212 nan 8.250 nan 0.000 0.448 177 T N 2.664 117.262 114.554 0.072 0.000 3.077 177 T HA 0.302 4.694 4.350 0.071 0.000 0.359 177 T C -2.833 171.822 174.700 -0.075 0.000 1.108 177 T CA -1.633 60.441 62.100 -0.044 0.000 1.170 177 T CB 1.675 70.440 68.868 -0.172 0.000 1.045 177 T HN -0.105 nan 8.240 nan 0.000 0.505 178 P HA 0.141 nan 4.420 nan 0.000 0.266 178 P C -0.376 176.945 177.300 0.036 0.000 1.195 178 P CA -0.293 62.916 63.100 0.182 0.000 0.768 178 P CB 0.219 32.034 31.700 0.192 0.000 0.838 179 F N 4.399 124.345 119.950 -0.008 0.000 2.538 179 F HA 0.110 4.682 4.527 0.075 0.000 0.371 179 F C -0.900 174.906 175.800 0.010 0.000 1.087 179 F CA -1.130 56.849 58.000 -0.036 0.000 1.250 179 F CB -0.843 38.119 39.000 -0.064 0.000 1.110 179 F HN 0.438 nan 8.300 nan 0.000 0.570 180 P HA -0.268 nan 4.420 nan 0.000 0.228 180 P C 0.624 177.984 177.300 0.101 0.000 0.821 180 P CA 2.131 65.286 63.100 0.091 0.000 1.093 180 P CB 0.248 31.993 31.700 0.075 0.000 0.688 181 D N -6.437 114.020 120.400 0.096 0.000 2.465 181 D HA -0.047 4.636 4.640 0.071 0.000 0.757 181 D C 1.479 177.820 176.300 0.067 0.000 0.335 181 D CA 0.688 54.733 54.000 0.075 0.000 1.248 181 D CB -1.217 39.617 40.800 0.057 0.000 1.129 181 D HN -0.054 nan 8.370 nan 0.000 0.330 182 S N -0.106 115.634 115.700 0.066 0.000 2.406 182 S HA -0.013 4.500 4.470 0.071 0.000 0.228 182 S C 1.783 176.438 174.600 0.092 0.000 1.020 182 S CA 1.289 59.527 58.200 0.063 0.000 0.965 182 S CB 0.039 63.268 63.200 0.047 0.000 0.798 182 S HN 0.191 nan 8.310 nan 0.000 0.488 183 S N 1.291 117.061 115.700 0.116 0.000 2.474 183 S HA -0.004 4.509 4.470 0.071 0.000 0.235 183 S C 0.758 175.514 174.600 0.260 0.000 0.997 183 S CA 0.505 58.816 58.200 0.185 0.000 0.949 183 S CB -0.307 63.000 63.200 0.178 0.000 0.766 183 S HN 0.483 nan 8.310 nan 0.000 0.517 184 T N 4.303 118.934 114.554 0.128 0.000 2.754 184 T HA 0.086 4.479 4.350 0.071 0.000 0.282 184 T C 0.078 174.812 174.700 0.057 0.000 0.923 184 T CA 0.037 62.150 62.100 0.022 0.000 1.164 184 T CB -0.337 68.530 68.868 -0.001 0.000 0.873 184 T HN 0.485 nan 8.240 nan 0.000 0.537 185 H N 1.816 120.899 119.070 0.020 0.000 2.855 185 H HA 0.600 5.200 4.556 0.073 0.000 0.363 185 H C -0.103 175.237 175.328 0.020 0.000 1.185 185 H CA -1.310 54.750 56.048 0.020 0.000 1.174 185 H CB 1.024 30.800 29.762 0.023 0.000 1.857 185 H HN 0.189 nan 8.280 nan 0.000 0.565 186 R N 0.843 121.425 120.500 0.137 0.000 2.726 186 R HA 0.397 4.779 4.340 0.071 0.000 0.272 186 R C -0.238 176.151 176.300 0.147 0.000 1.097 186 R CA -0.303 55.843 56.100 0.077 0.000 1.198 186 R CB 0.461 30.804 30.300 0.072 0.000 1.114 186 R HN 0.913 nan 8.270 nan 0.000 0.550 187 R N 0.762 121.318 120.500 0.093 0.000 4.287 187 R HA 0.055 4.437 4.340 0.071 0.000 0.240 187 R C -1.424 174.919 176.300 0.072 0.000 1.008 187 R CA -0.552 55.618 56.100 0.117 0.000 1.248 187 R CB 0.263 30.659 30.300 0.161 0.000 1.227 187 R HN 0.372 nan 8.270 nan 0.000 0.590 188 L N 2.026 123.270 121.223 0.034 0.000 2.361 188 L HA 0.512 4.894 4.340 0.071 0.000 0.278 188 L C -0.244 176.584 176.870 -0.070 0.000 1.113 188 L CA 0.145 54.966 54.840 -0.031 0.000 0.849 188 L CB 0.033 42.028 42.059 -0.106 0.000 1.155 188 L HN 0.400 nan 8.230 nan 0.000 0.452 189 F N 2.923 122.785 119.950 -0.147 0.000 2.396 189 F HA 0.415 4.989 4.527 0.078 0.000 0.343 189 F C 0.223 175.912 175.800 -0.184 0.000 1.104 189 F CA -0.056 57.894 58.000 -0.084 0.000 1.161 189 F CB 0.469 39.471 39.000 0.003 0.000 1.146 189 F HN 0.542 nan 8.300 nan 0.000 0.522 190 H N 5.243 124.129 119.070 -0.307 0.000 2.640 190 H HA 0.292 4.891 4.556 0.072 0.000 0.297 190 H C -0.223 174.996 175.328 -0.182 0.000 1.073 190 H CA -0.671 55.272 56.048 -0.175 0.000 1.305 190 H CB 0.716 30.367 29.762 -0.186 0.000 1.404 190 H HN 0.459 nan 8.280 nan 0.000 0.459 191 K N 1.089 121.575 120.400 0.145 0.000 2.118 191 K HA 0.103 4.465 4.320 0.071 0.000 0.240 191 K C 0.510 177.166 176.600 0.094 0.000 1.035 191 K CA -0.321 56.078 56.287 0.187 0.000 0.899 191 K CB 0.577 33.188 32.500 0.184 0.000 1.085 191 K HN 0.618 nan 8.250 nan 0.000 0.498 192 S N 0.301 116.053 115.700 0.087 0.000 3.864 192 S HA 0.063 4.576 4.470 0.071 0.000 0.202 192 S C -0.358 174.261 174.600 0.032 0.000 1.402 192 S CA 0.110 58.337 58.200 0.044 0.000 1.072 192 S CB -1.092 62.133 63.200 0.041 0.000 1.383 192 S HN 0.725 nan 8.310 nan 0.000 0.458 193 D N -3.005 117.416 120.400 0.035 0.000 3.783 193 D HA 0.223 4.906 4.640 0.071 0.000 0.249 193 D C 0.913 177.232 176.300 0.033 0.000 1.271 193 D CA -0.034 53.982 54.000 0.027 0.000 0.818 193 D CB -0.805 40.012 40.800 0.028 0.000 1.715 193 D HN 0.479 nan 8.370 nan 0.000 0.497 194 G N 0.403 109.228 108.800 0.042 0.000 2.320 194 G HA2 -0.358 3.644 3.960 0.071 0.000 0.242 194 G HA3 -0.358 3.644 3.960 0.071 0.000 0.242 194 G C 0.592 175.541 174.900 0.081 0.000 1.033 194 G CA 0.241 45.375 45.100 0.056 0.000 0.620 194 G HN 0.926 nan 8.290 nan 0.000 0.517 195 S N 0.859 116.600 115.700 0.067 0.000 2.558 195 S HA 0.496 5.009 4.470 0.071 0.000 0.287 195 S C 0.358 174.999 174.600 0.069 0.000 1.321 195 S CA 1.526 59.764 58.200 0.063 0.000 1.048 195 S CB 0.492 63.728 63.200 0.060 0.000 0.844 195 S HN 0.829 nan 8.310 nan 0.000 0.512 196 T N 3.394 117.969 114.554 0.036 0.000 2.912 196 T HA 0.578 4.970 4.350 0.071 0.000 0.299 196 T C -1.347 173.355 174.700 0.003 0.000 1.052 196 T CA -0.535 61.550 62.100 -0.025 0.000 0.996 196 T CB 1.625 70.435 68.868 -0.096 0.000 1.070 196 T HN 0.631 nan 8.240 nan 0.000 0.465 197 V N 2.135 122.060 119.914 0.019 0.000 2.668 197 V HA 0.630 4.793 4.120 0.071 0.000 0.304 197 V C -0.226 175.886 176.094 0.030 0.000 1.071 197 V CA -0.500 61.819 62.300 0.032 0.000 0.894 197 V CB 2.131 33.982 31.823 0.046 0.000 1.008 197 V HN 0.929 nan 8.190 nan 0.000 0.425 198 S N 4.345 120.053 115.700 0.014 0.000 2.549 198 S HA 0.675 5.188 4.470 0.071 0.000 0.279 198 S C -0.572 174.038 174.600 0.017 0.000 1.321 198 S CA -0.080 58.131 58.200 0.018 0.000 1.054 198 S CB 0.704 63.913 63.200 0.015 0.000 0.899 198 S HN 0.779 nan 8.310 nan 0.000 0.497 199 V N 6.998 126.925 119.914 0.022 0.000 3.048 199 V HA 0.464 4.627 4.120 0.071 0.000 0.303 199 V C -2.388 173.696 176.094 -0.017 0.000 1.214 199 V CA -1.721 60.578 62.300 -0.002 0.000 0.984 199 V CB 2.655 34.466 31.823 -0.020 0.000 1.054 199 V HN 0.730 nan 8.190 nan 0.000 0.430 200 P HA 0.291 nan 4.420 nan 0.000 0.271 200 P C -1.138 176.088 177.300 -0.123 0.000 1.226 200 P CA -0.034 63.022 63.100 -0.072 0.000 0.765 200 P CB 0.610 32.280 31.700 -0.051 0.000 0.835 201 M N 4.426 123.875 119.600 -0.252 0.000 2.197 201 M HA 0.378 4.901 4.480 0.071 0.000 0.301 201 M C 0.497 176.558 176.300 -0.398 0.000 0.987 201 M CA -0.830 54.282 55.300 -0.314 0.000 0.921 201 M CB 2.194 34.603 32.600 -0.319 0.000 1.569 201 M HN 0.282 nan 8.290 nan 0.000 0.431 202 M N 1.931 121.369 119.600 -0.271 0.000 2.241 202 M HA 0.846 5.369 4.480 0.071 0.000 0.335 202 M C -0.476 175.808 176.300 -0.027 0.000 1.122 202 M CA -0.268 54.923 55.300 -0.182 0.000 1.164 202 M CB 0.723 33.115 32.600 -0.348 0.000 1.459 202 M HN 0.670 nan 8.290 nan 0.000 0.461 203 A N 1.691 124.657 122.820 0.243 0.000 2.475 203 A HA 0.744 5.107 4.320 0.071 0.000 0.301 203 A C -1.295 176.509 177.584 0.366 0.000 1.059 203 A CA -0.617 51.630 52.037 0.349 0.000 0.710 203 A CB 2.235 21.425 19.000 0.317 0.000 1.288 203 A HN 0.916 nan 8.150 nan 0.000 0.408 204 Q N 0.096 120.032 119.800 0.227 0.000 2.426 204 Q HA 0.585 4.967 4.340 0.071 0.000 0.278 204 Q C -1.665 174.386 176.000 0.084 0.000 1.007 204 Q CA -0.347 55.449 55.803 -0.012 0.000 0.850 204 Q CB 2.261 30.692 28.738 -0.512 0.000 1.427 204 Q HN 1.011 nan 8.270 nan 0.000 0.391 205 T N 2.261 116.804 114.554 -0.019 0.000 2.864 205 T HA 0.630 5.023 4.350 0.071 0.000 0.299 205 T C -1.156 173.410 174.700 -0.224 0.000 1.011 205 T CA -0.079 62.010 62.100 -0.018 0.000 0.975 205 T CB -0.043 68.825 68.868 -0.001 0.000 0.962 205 T HN 0.841 nan 8.240 nan 0.000 0.448 206 N N 2.476 120.881 118.700 -0.491 0.000 3.449 206 N HA 0.405 5.187 4.740 0.071 0.000 0.312 206 N C -1.401 173.717 175.510 -0.653 0.000 1.582 206 N CA -1.353 51.351 53.050 -0.577 0.000 0.850 206 N CB 0.957 39.089 38.487 -0.593 0.000 1.822 206 N HN 0.223 nan 8.380 nan 0.000 0.577 207 K N 0.350 120.460 120.400 -0.484 0.000 2.228 207 K HA 0.226 4.589 4.320 0.071 0.000 0.284 207 K C -1.367 175.036 176.600 -0.329 0.000 1.088 207 K CA 0.011 56.116 56.287 -0.303 0.000 0.941 207 K CB -0.236 32.158 32.500 -0.176 0.000 1.158 207 K HN 0.216 nan 8.250 nan 0.000 0.438 208 F N 1.787 121.697 119.950 -0.067 0.000 2.411 208 F HA 0.148 4.718 4.527 0.072 0.000 0.350 208 F C 0.912 176.724 175.800 0.020 0.000 1.114 208 F CA -0.896 57.075 58.000 -0.050 0.000 1.135 208 F CB 0.668 39.631 39.000 -0.062 0.000 1.120 208 F HN 0.394 nan 8.300 nan 0.000 0.495 209 N N 3.063 121.894 118.700 0.219 0.000 2.429 209 N HA -0.005 4.778 4.740 0.071 0.000 0.271 209 N C -1.216 174.432 175.510 0.230 0.000 1.272 209 N CA 0.174 53.325 53.050 0.168 0.000 0.921 209 N CB 0.237 38.787 38.487 0.104 0.000 1.128 209 N HN 0.507 nan 8.380 nan 0.000 0.481 210 Y N 2.295 122.640 120.300 0.074 0.000 2.570 210 Y HA 0.584 5.176 4.550 0.070 0.000 0.345 210 Y C -0.351 175.579 175.900 0.050 0.000 1.014 210 Y CA -0.569 57.559 58.100 0.047 0.000 1.063 210 Y CB 2.232 40.712 38.460 0.035 0.000 1.272 210 Y HN 0.269 nan 8.280 nan 0.000 0.477 211 T N 3.808 117.860 114.554 -0.836 0.000 3.087 211 T HA 0.255 4.648 4.350 0.071 0.000 0.351 211 T C -2.142 172.181 174.700 -0.629 0.000 1.520 211 T CA -0.711 61.086 62.100 -0.505 0.000 1.111 211 T CB 1.084 69.899 68.868 -0.088 0.000 1.353 211 T HN 0.725 nan 8.240 nan 0.000 0.481 212 E N 2.861 122.888 120.200 -0.289 0.000 2.165 212 E HA 0.536 4.929 4.350 0.071 0.000 0.266 212 E C -1.220 175.360 176.600 -0.033 0.000 0.889 212 E CA -0.457 55.837 56.400 -0.177 0.000 0.756 212 E CB 0.986 30.640 29.700 -0.077 0.000 1.131 212 E HN 0.366 nan 8.360 nan 0.000 0.411 213 F N 0.411 120.007 119.950 -0.590 0.000 2.613 213 F HA 0.411 4.982 4.527 0.073 0.000 0.342 213 F C 0.770 176.202 175.800 -0.613 0.000 1.066 213 F CA -0.619 57.007 58.000 -0.624 0.000 1.002 213 F CB 1.771 40.275 39.000 -0.827 0.000 1.319 213 F HN 0.221 nan 8.300 nan 0.000 0.495 214 T N -2.298 112.135 114.554 -0.201 0.000 2.887 214 T HA 0.516 4.909 4.350 0.071 0.000 0.288 214 T C -0.334 174.480 174.700 0.191 0.000 1.021 214 T CA -0.711 61.298 62.100 -0.153 0.000 1.000 214 T CB 1.485 70.119 68.868 -0.389 0.000 1.034 214 T HN 0.449 nan 8.240 nan 0.000 0.467 215 T N 3.309 118.025 114.554 0.269 0.000 2.882 215 T HA 0.333 4.726 4.350 0.071 0.000 0.287 215 T C -1.435 173.339 174.700 0.122 0.000 1.014 215 T CA -1.304 60.982 62.100 0.310 0.000 1.049 215 T CB 0.818 69.890 68.868 0.340 0.000 1.001 215 T HN 0.447 nan 8.240 nan 0.000 0.525 216 P HA -0.094 nan 4.420 nan 0.000 0.218 216 P C 1.059 178.361 177.300 0.003 0.000 1.146 216 P CA 0.814 63.951 63.100 0.062 0.000 0.813 216 P CB 0.224 31.970 31.700 0.077 0.000 0.778 217 D N -2.109 118.283 120.400 -0.012 0.000 2.277 217 D HA 0.005 4.688 4.640 0.071 0.000 0.208 217 D C 1.539 177.680 176.300 -0.266 0.000 0.962 217 D CA 1.439 55.374 54.000 -0.108 0.000 0.865 217 D CB 0.074 40.832 40.800 -0.070 0.000 0.939 217 D HN 0.169 nan 8.370 nan 0.000 0.510 218 G N 0.009 108.647 108.800 -0.270 0.000 2.227 218 G HA2 -0.148 3.854 3.960 0.071 0.000 0.168 218 G HA3 -0.148 3.854 3.960 0.071 0.000 0.168 218 G C 0.007 174.719 174.900 -0.314 0.000 1.006 218 G CA -0.503 44.416 45.100 -0.301 0.000 0.684 218 G HN 0.301 nan 8.290 nan 0.000 0.489 219 H N 0.312 119.407 119.070 0.042 0.000 2.690 219 H HA 0.411 5.010 4.556 0.072 0.000 0.314 219 H C 0.002 175.444 175.328 0.190 0.000 1.069 219 H CA -0.194 55.943 56.048 0.148 0.000 1.436 219 H CB 0.284 30.150 29.762 0.174 0.000 1.462 219 H HN 0.267 nan 8.280 nan 0.000 0.511 220 Y N 3.107 123.576 120.300 0.283 0.000 2.346 220 Y HA 0.116 4.709 4.550 0.071 0.000 0.330 220 Y C 0.419 176.496 175.900 0.296 0.000 1.178 220 Y CA -0.263 57.952 58.100 0.191 0.000 1.331 220 Y CB 0.332 38.852 38.460 0.099 0.000 1.253 220 Y HN 0.520 nan 8.280 nan 0.000 0.529 221 Y N -1.129 119.340 120.300 0.282 0.000 2.576 221 Y HA 0.695 5.288 4.550 0.072 0.000 0.346 221 Y C -1.289 174.652 175.900 0.068 0.000 1.018 221 Y CA -1.708 56.497 58.100 0.174 0.000 1.050 221 Y CB 1.297 39.827 38.460 0.116 0.000 1.280 221 Y HN 0.385 nan 8.280 nan 0.000 0.474 222 D N 2.497 123.022 120.400 0.209 0.000 2.192 222 D HA 0.505 5.188 4.640 0.071 0.000 0.246 222 D C -0.895 175.349 176.300 -0.093 0.000 1.042 222 D CA -0.053 53.961 54.000 0.023 0.000 0.847 222 D CB 2.520 43.462 40.800 0.236 0.000 1.186 222 D HN 0.576 nan 8.370 nan 0.000 0.461 223 I N 1.688 122.039 120.570 -0.366 0.000 2.465 223 I HA 0.340 4.552 4.170 0.071 0.000 0.291 223 I C -0.494 175.516 176.117 -0.179 0.000 1.014 223 I CA -0.605 60.472 61.300 -0.372 0.000 1.093 223 I CB 2.144 39.666 38.000 -0.797 0.000 1.267 223 I HN 0.074 nan 8.210 nan 0.000 0.431 224 L N 4.961 126.192 121.223 0.014 0.000 2.370 224 L HA 0.569 4.952 4.340 0.071 0.000 0.266 224 L C -0.768 176.103 176.870 0.001 0.000 1.002 224 L CA -0.523 54.355 54.840 0.063 0.000 0.818 224 L CB 2.438 44.506 42.059 0.015 0.000 1.325 224 L HN 0.681 nan 8.230 nan 0.000 0.418 225 E N 3.305 123.460 120.200 -0.074 0.000 2.171 225 E HA 0.462 4.855 4.350 0.071 0.000 0.271 225 E C -1.487 175.024 176.600 -0.148 0.000 0.916 225 E CA -0.605 55.600 56.400 -0.326 0.000 0.774 225 E CB 1.667 31.150 29.700 -0.362 0.000 1.128 225 E HN 0.467 nan 8.360 nan 0.000 0.403 226 L N 6.296 127.426 121.223 -0.154 0.000 2.384 226 L HA 0.390 4.773 4.340 0.071 0.000 0.261 226 L C -2.383 174.496 176.870 0.015 0.000 1.024 226 L CA -2.096 52.694 54.840 -0.084 0.000 0.899 226 L CB 1.219 43.184 42.059 -0.156 0.000 1.243 226 L HN 0.309 nan 8.230 nan 0.000 0.449 227 P HA 0.079 nan 4.420 nan 0.000 0.269 227 P C -1.093 176.271 177.300 0.108 0.000 1.217 227 P CA 0.313 63.461 63.100 0.080 0.000 0.783 227 P CB 0.519 32.253 31.700 0.057 0.000 0.898 228 Y N -1.004 119.474 120.300 0.296 0.000 2.650 228 Y HA 0.241 4.834 4.550 0.071 0.000 0.331 228 Y C 1.237 177.258 175.900 0.201 0.000 1.082 228 Y CA -0.483 57.791 58.100 0.290 0.000 1.171 228 Y CB 0.384 39.002 38.460 0.263 0.000 1.326 228 Y HN 0.426 nan 8.280 nan 0.000 0.513 229 H N 0.711 119.987 119.070 0.342 0.000 3.187 229 H HA 0.129 4.728 4.556 0.070 0.000 0.286 229 H C 0.850 176.275 175.328 0.161 0.000 0.944 229 H CA 1.263 57.437 56.048 0.210 0.000 1.429 229 H CB -0.092 29.779 29.762 0.183 0.000 1.483 229 H HN 0.891 nan 8.280 nan 0.000 0.555 230 G N 4.341 113.079 108.800 -0.104 0.000 2.176 230 G HA2 -0.310 3.693 3.960 0.071 0.000 0.253 230 G HA3 -0.310 3.693 3.960 0.071 0.000 0.253 230 G C 0.419 175.207 174.900 -0.186 0.000 0.979 230 G CA 0.250 45.215 45.100 -0.225 0.000 0.641 230 G HN 0.826 nan 8.290 nan 0.000 0.530 231 D N -1.049 119.310 120.400 -0.069 0.000 3.067 231 D HA -0.250 4.433 4.640 0.071 0.000 0.216 231 D C 1.713 177.963 176.300 -0.083 0.000 1.162 231 D CA 2.395 56.377 54.000 -0.030 0.000 0.960 231 D CB -1.513 39.263 40.800 -0.039 0.000 1.129 231 D HN 1.153 nan 8.370 nan 0.000 0.408 232 T N -2.126 112.302 114.554 -0.209 0.000 3.148 232 T HA 0.330 4.723 4.350 0.071 0.000 0.253 232 T C 1.017 175.688 174.700 -0.049 0.000 1.134 232 T CA 0.105 62.008 62.100 -0.328 0.000 1.051 232 T CB 0.706 69.086 68.868 -0.813 0.000 0.959 232 T HN 0.225 nan 8.240 nan 0.000 0.525 233 L N 0.003 121.327 121.223 0.168 0.000 2.376 233 L HA 0.734 5.117 4.340 0.071 0.000 0.258 233 L C -0.875 176.291 176.870 0.493 0.000 1.013 233 L CA -0.874 54.187 54.840 0.367 0.000 0.822 233 L CB 2.472 44.774 42.059 0.405 0.000 1.388 233 L HN 0.156 nan 8.230 nan 0.000 0.413 234 S N 1.689 117.745 115.700 0.594 0.000 2.558 234 S HA 0.543 5.056 4.470 0.071 0.000 0.277 234 S C -1.563 173.380 174.600 0.572 0.000 1.143 234 S CA -0.618 57.884 58.200 0.504 0.000 0.865 234 S CB 1.641 64.958 63.200 0.194 0.000 1.102 234 S HN 0.593 nan 8.310 nan 0.000 0.454 235 M N 3.861 123.727 119.600 0.443 0.000 2.294 235 M HA 0.685 5.208 4.480 0.071 0.000 0.335 235 M C -2.046 174.396 176.300 0.236 0.000 1.079 235 M CA -0.462 55.171 55.300 0.556 0.000 0.982 235 M CB 0.732 33.782 32.600 0.749 0.000 1.651 235 M HN 0.597 nan 8.290 nan 0.000 0.437 236 F N 5.155 125.367 119.950 0.436 0.000 2.444 236 F HA 0.541 5.110 4.527 0.069 0.000 0.342 236 F C -0.679 175.351 175.800 0.383 0.000 1.121 236 F CA -0.636 57.578 58.000 0.356 0.000 0.997 236 F CB 1.311 40.550 39.000 0.397 0.000 1.130 236 F HN 0.360 nan 8.300 nan 0.000 0.454 237 I N 3.164 123.973 120.570 0.399 0.000 2.354 237 I HA 0.674 4.887 4.170 0.071 0.000 0.292 237 I C -0.218 176.038 176.117 0.232 0.000 0.989 237 I CA -0.473 61.049 61.300 0.370 0.000 1.188 237 I CB 1.408 39.502 38.000 0.156 0.000 1.342 237 I HN 0.657 nan 8.210 nan 0.000 0.457 238 A N 4.969 127.950 122.820 0.268 0.000 2.449 238 A HA 1.026 5.389 4.320 0.071 0.000 0.302 238 A C -1.114 176.590 177.584 0.199 0.000 1.048 238 A CA -0.383 51.716 52.037 0.104 0.000 0.708 238 A CB 1.713 20.656 19.000 -0.094 0.000 1.274 238 A HN 1.014 nan 8.150 nan 0.000 0.410 239 A N 2.203 125.125 122.820 0.171 0.000 2.590 239 A HA 0.782 5.145 4.320 0.071 0.000 0.296 239 A C -3.368 174.338 177.584 0.203 0.000 1.050 239 A CA -1.108 51.038 52.037 0.181 0.000 0.697 239 A CB 0.830 19.963 19.000 0.221 0.000 1.277 239 A HN 0.500 nan 8.150 nan 0.000 0.411 240 P HA 0.170 nan 4.420 nan 0.000 0.269 240 P C 0.194 177.627 177.300 0.223 0.000 1.209 240 P CA 0.125 63.361 63.100 0.227 0.000 0.776 240 P CB 0.330 32.101 31.700 0.118 0.000 0.876 241 Y N 2.663 123.060 120.300 0.162 0.000 2.153 241 Y HA -0.075 4.518 4.550 0.071 0.000 0.289 241 Y C 0.426 176.363 175.900 0.061 0.000 1.127 241 Y CA 1.265 59.428 58.100 0.106 0.000 1.131 241 Y CB -0.469 38.057 38.460 0.111 0.000 0.995 241 Y HN 0.361 nan 8.280 nan 0.000 0.505 242 E N 1.871 122.037 120.200 -0.057 0.000 2.265 242 E HA 0.016 4.409 4.350 0.071 0.000 0.272 242 E C 0.836 177.351 176.600 -0.141 0.000 1.067 242 E CA -0.067 56.233 56.400 -0.167 0.000 0.900 242 E CB 0.721 30.420 29.700 -0.000 0.000 1.017 242 E HN 0.393 nan 8.360 nan 0.000 0.431 243 K N 2.746 123.027 120.400 -0.199 0.000 2.281 243 K HA -0.177 4.186 4.320 0.071 0.000 0.203 243 K C 1.034 177.566 176.600 -0.112 0.000 1.046 243 K CA 0.880 57.075 56.287 -0.152 0.000 0.938 243 K CB 0.105 32.489 32.500 -0.194 0.000 0.737 243 K HN 0.382 nan 8.250 nan 0.000 0.458 244 E N 0.906 121.040 120.200 -0.111 0.000 2.204 244 E HA -0.063 4.329 4.350 0.071 0.000 0.194 244 E C 0.651 177.180 176.600 -0.118 0.000 0.989 244 E CA 0.426 56.770 56.400 -0.094 0.000 0.824 244 E CB -0.365 29.288 29.700 -0.077 0.000 0.756 244 E HN 0.024 nan 8.360 nan 0.000 0.477 245 V N 5.616 125.437 119.914 -0.155 0.000 2.425 245 V HA 0.032 4.195 4.120 0.071 0.000 0.276 245 V C -1.921 174.109 176.094 -0.107 0.000 1.017 245 V CA -0.976 61.192 62.300 -0.221 0.000 1.062 245 V CB -0.082 31.606 31.823 -0.226 0.000 0.997 245 V HN 0.059 nan 8.190 nan 0.000 0.476 246 P HA 0.078 nan 4.420 nan 0.000 0.271 246 P C 1.120 178.407 177.300 -0.022 0.000 1.216 246 P CA -0.216 62.860 63.100 -0.041 0.000 0.776 246 P CB 1.346 33.026 31.700 -0.033 0.000 0.881 247 L N 2.744 123.967 121.223 0.000 0.000 2.129 247 L HA -0.255 4.128 4.340 0.071 0.000 0.212 247 L C 2.445 179.317 176.870 0.003 0.000 1.087 247 L CA 2.419 57.268 54.840 0.016 0.000 0.757 247 L CB -0.607 41.476 42.059 0.039 0.000 0.896 247 L HN 0.495 nan 8.230 nan 0.000 0.434 248 S N -0.301 115.397 115.700 -0.005 0.000 2.402 248 S HA -0.253 4.260 4.470 0.071 0.000 0.233 248 S C 2.047 176.645 174.600 -0.004 0.000 1.030 248 S CA 1.055 59.250 58.200 -0.009 0.000 1.003 248 S CB -0.630 62.560 63.200 -0.016 0.000 0.813 248 S HN 0.491 nan 8.310 nan 0.000 0.477 249 A N 0.964 123.784 122.820 -0.001 0.000 2.019 249 A HA 0.136 4.499 4.320 0.071 0.000 0.219 249 A C 2.101 179.678 177.584 -0.012 0.000 1.164 249 A CA 1.368 53.417 52.037 0.021 0.000 0.644 249 A CB -0.519 18.510 19.000 0.049 0.000 0.805 249 A HN 0.490 nan 8.150 nan 0.000 0.449 250 L N -1.881 119.304 121.223 -0.063 0.000 2.221 250 L HA 0.030 4.412 4.340 0.071 0.000 0.202 250 L C 2.677 179.531 176.870 -0.027 0.000 1.074 250 L CA 2.027 56.782 54.840 -0.143 0.000 0.795 250 L CB -0.939 40.983 42.059 -0.229 0.000 0.960 250 L HN 0.403 nan 8.230 nan 0.000 0.458 251 T N -0.828 113.737 114.554 0.017 0.000 2.833 251 T HA -0.150 4.243 4.350 0.071 0.000 0.269 251 T C 1.734 176.457 174.700 0.038 0.000 1.054 251 T CA 1.528 63.668 62.100 0.067 0.000 1.135 251 T CB -0.182 68.741 68.868 0.092 0.000 0.869 251 T HN 0.246 nan 8.240 nan 0.000 0.466 252 N N 1.274 119.981 118.700 0.012 0.000 2.459 252 N HA 0.071 4.854 4.740 0.071 0.000 0.181 252 N C 1.771 177.292 175.510 0.019 0.000 1.046 252 N CA 1.111 54.165 53.050 0.006 0.000 0.904 252 N CB -0.169 38.319 38.487 0.002 0.000 0.964 252 N HN 0.768 nan 8.380 nan 0.000 0.444 253 I N -2.968 117.620 120.570 0.030 0.000 3.941 253 I HA 0.167 4.380 4.170 0.071 0.000 0.321 253 I C 0.203 176.340 176.117 0.033 0.000 1.284 253 I CA -0.336 60.995 61.300 0.052 0.000 1.226 253 I CB 0.056 38.115 38.000 0.098 0.000 1.045 253 I HN -0.246 nan 8.210 nan 0.000 0.420 254 L N 2.652 123.878 121.223 0.006 0.000 2.516 254 L HA 0.141 4.524 4.340 0.071 0.000 0.288 254 L C 0.520 177.337 176.870 -0.088 0.000 1.246 254 L CA 0.890 55.691 54.840 -0.064 0.000 0.844 254 L CB 0.442 42.477 42.059 -0.040 0.000 1.106 254 L HN 0.725 nan 8.230 nan 0.000 0.509 255 S N 0.807 116.400 115.700 -0.179 0.000 2.597 255 S HA 0.618 5.131 4.470 0.071 0.000 0.274 255 S C 0.274 174.758 174.600 -0.193 0.000 1.132 255 S CA -0.344 57.775 58.200 -0.134 0.000 0.835 255 S CB 0.576 63.737 63.200 -0.065 0.000 1.092 255 S HN 0.789 nan 8.310 nan 0.000 0.457 256 A N 1.173 123.927 122.820 -0.110 0.000 1.908 256 A HA -0.075 4.288 4.320 0.071 0.000 0.218 256 A C 2.055 179.597 177.584 -0.070 0.000 1.181 256 A CA 1.678 53.665 52.037 -0.083 0.000 0.627 256 A CB -0.937 18.052 19.000 -0.018 0.000 0.818 256 A HN 0.777 nan 8.150 nan 0.000 0.445 257 Q N -1.150 118.649 119.800 -0.001 0.000 2.230 257 Q HA -0.092 4.291 4.340 0.071 0.000 0.202 257 Q C 2.060 178.003 176.000 -0.095 0.000 0.963 257 Q CA 1.101 56.896 55.803 -0.013 0.000 0.866 257 Q CB -0.369 28.390 28.738 0.034 0.000 0.931 257 Q HN 0.607 nan 8.270 nan 0.000 0.452 258 L N 0.824 121.927 121.223 -0.200 0.000 2.017 258 L HA -0.169 4.214 4.340 0.071 0.000 0.208 258 L C 1.987 178.366 176.870 -0.819 0.000 1.073 258 L CA 1.456 56.083 54.840 -0.354 0.000 0.745 258 L CB -0.611 41.195 42.059 -0.422 0.000 0.894 258 L HN 0.076 nan 8.230 nan 0.000 0.432 259 I N -0.176 119.829 120.570 -0.943 0.000 2.208 259 I HA -0.257 3.956 4.170 0.071 0.000 0.245 259 I C 2.772 178.604 176.117 -0.476 0.000 1.097 259 I CA 1.740 62.433 61.300 -1.012 0.000 1.363 259 I CB -1.940 35.644 38.000 -0.693 0.000 1.051 259 I HN 0.558 nan 8.210 nan 0.000 0.413 260 S N -0.298 115.251 115.700 -0.252 0.000 2.402 260 S HA -0.238 4.275 4.470 0.071 0.000 0.229 260 S C 2.115 176.774 174.600 0.098 0.000 1.021 260 S CA 1.200 59.367 58.200 -0.057 0.000 0.974 260 S CB -0.902 62.286 63.200 -0.019 0.000 0.800 260 S HN 0.620 nan 8.310 nan 0.000 0.484 261 H N -1.085 117.983 119.070 -0.003 0.000 2.395 261 H HA -0.063 4.535 4.556 0.071 0.000 0.299 261 H C 1.672 177.239 175.328 0.400 0.000 1.070 261 H CA 1.180 57.349 56.048 0.201 0.000 1.356 261 H CB -0.130 29.801 29.762 0.281 0.000 1.401 261 H HN 0.482 nan 8.280 nan 0.000 0.524 262 W N 1.811 123.072 121.300 -0.064 0.000 2.318 262 W HA -0.183 4.518 4.660 0.069 0.000 0.313 262 W C 2.596 179.128 176.519 0.021 0.000 1.221 262 W CA 0.908 58.075 57.345 -0.296 0.000 1.266 262 W CB -0.826 28.384 29.460 -0.418 0.000 1.150 262 W HN 0.192 nan 8.180 nan 0.000 0.496 263 K N -0.370 120.232 120.400 0.336 0.000 2.097 263 K HA -0.092 4.271 4.320 0.071 0.000 0.205 263 K C 2.146 178.900 176.600 0.257 0.000 1.050 263 K CA 1.537 58.039 56.287 0.359 0.000 0.938 263 K CB -0.753 31.962 32.500 0.359 0.000 0.718 263 K HN 0.175 nan 8.250 nan 0.000 0.442 264 G N 0.152 109.096 108.800 0.241 0.000 2.598 264 G HA2 -0.167 3.836 3.960 0.071 0.000 0.215 264 G HA3 -0.167 3.836 3.960 0.071 0.000 0.215 264 G C 1.027 176.039 174.900 0.187 0.000 1.131 264 G CA 0.369 45.594 45.100 0.208 0.000 0.785 264 G HN 0.281 nan 8.290 nan 0.000 0.539 265 N N -0.347 118.470 118.700 0.195 0.000 2.236 265 N HA 0.263 5.045 4.740 0.071 0.000 0.196 265 N C 0.805 176.386 175.510 0.119 0.000 1.114 265 N CA -0.103 53.028 53.050 0.134 0.000 0.859 265 N CB 0.147 38.706 38.487 0.120 0.000 0.982 265 N HN 0.250 nan 8.380 nan 0.000 0.493 266 M N -0.300 119.383 119.600 0.139 0.000 2.227 266 M HA 0.264 4.786 4.480 0.071 0.000 0.316 266 M C -0.357 176.004 176.300 0.101 0.000 1.144 266 M CA 0.384 55.754 55.300 0.117 0.000 1.121 266 M CB 1.006 33.696 32.600 0.149 0.000 1.440 266 M HN -0.098 nan 8.290 nan 0.000 0.473 267 T N 0.954 115.573 114.554 0.108 0.000 3.237 267 T HA 0.290 4.683 4.350 0.071 0.000 0.319 267 T C -0.644 174.121 174.700 0.108 0.000 1.037 267 T CA -0.832 61.324 62.100 0.093 0.000 1.048 267 T CB 1.266 70.184 68.868 0.083 0.000 1.081 267 T HN 0.554 nan 8.240 nan 0.000 0.455 268 R N 1.896 122.440 120.500 0.073 0.000 2.480 268 R HA 0.316 4.698 4.340 0.071 0.000 0.303 268 R C -0.897 175.431 176.300 0.047 0.000 0.985 268 R CA -0.101 56.032 56.100 0.055 0.000 1.051 268 R CB 0.045 30.348 30.300 0.005 0.000 0.935 268 R HN 0.282 nan 8.270 nan 0.000 0.410 269 L N 6.598 127.862 121.223 0.068 0.000 2.385 269 L HA 0.377 4.760 4.340 0.071 0.000 0.273 269 L C -2.144 174.729 176.870 0.006 0.000 0.990 269 L CA -2.225 52.635 54.840 0.034 0.000 0.821 269 L CB 2.242 44.328 42.059 0.046 0.000 1.279 269 L HN 0.490 nan 8.230 nan 0.000 0.412 270 P HA 0.172 nan 4.420 nan 0.000 0.268 270 P C -0.849 176.440 177.300 -0.018 0.000 1.485 270 P CA -0.140 62.924 63.100 -0.059 0.000 1.102 270 P CB 0.195 31.856 31.700 -0.065 0.000 1.501 271 R N 2.342 122.884 120.500 0.070 0.000 2.854 271 R HA 0.507 4.890 4.340 0.071 0.000 0.271 271 R C -0.430 175.983 176.300 0.187 0.000 0.994 271 R CA -1.385 54.773 56.100 0.096 0.000 0.945 271 R CB 1.715 32.046 30.300 0.052 0.000 1.194 271 R HN 0.307 nan 8.270 nan 0.000 0.476 272 L N 2.729 124.009 121.223 0.095 0.000 2.268 272 L HA 0.302 4.685 4.340 0.071 0.000 0.289 272 L C -0.973 175.948 176.870 0.085 0.000 1.064 272 L CA -0.425 54.479 54.840 0.107 0.000 0.824 272 L CB 0.469 42.555 42.059 0.046 0.000 1.202 272 L HN 0.414 nan 8.230 nan 0.000 0.433 273 L N 6.363 127.663 121.223 0.129 0.000 2.281 273 L HA 0.481 4.863 4.340 0.071 0.000 0.285 273 L C -0.762 176.148 176.870 0.067 0.000 1.074 273 L CA 0.161 54.954 54.840 -0.079 0.000 0.817 273 L CB 1.341 43.090 42.059 -0.516 0.000 1.168 273 L HN 0.419 nan 8.230 nan 0.000 0.434 274 V N 7.056 126.988 119.914 0.030 0.000 2.313 274 V HA 0.378 4.541 4.120 0.071 0.000 0.278 274 V C -0.527 175.551 176.094 -0.026 0.000 1.017 274 V CA -0.500 61.843 62.300 0.072 0.000 0.823 274 V CB 1.247 33.150 31.823 0.133 0.000 1.010 274 V HN 0.642 nan 8.190 nan 0.000 0.443 275 L N 9.178 130.350 121.223 -0.085 0.000 2.325 275 L HA 0.721 5.104 4.340 0.071 0.000 0.281 275 L C -2.642 174.132 176.870 -0.160 0.000 1.004 275 L CA -2.038 52.697 54.840 -0.175 0.000 0.823 275 L CB 2.083 43.981 42.059 -0.268 0.000 1.236 275 L HN 0.312 nan 8.230 nan 0.000 0.415 276 P HA 0.091 nan 4.420 nan 0.000 0.267 276 P C -1.204 176.163 177.300 0.111 0.000 1.209 276 P CA -0.040 63.093 63.100 0.055 0.000 0.763 276 P CB 0.204 32.018 31.700 0.191 0.000 0.816 277 K N 4.232 124.625 120.400 -0.012 0.000 2.202 277 K HA 0.589 4.952 4.320 0.071 0.000 0.264 277 K C -0.337 176.316 176.600 0.089 0.000 1.010 277 K CA -0.268 55.974 56.287 -0.076 0.000 0.940 277 K CB 0.458 32.871 32.500 -0.145 0.000 0.983 277 K HN 0.426 nan 8.250 nan 0.000 0.475 278 F N -2.488 117.422 119.950 -0.066 0.000 2.713 278 F HA 0.509 5.072 4.527 0.061 0.000 0.311 278 F C -1.323 174.428 175.800 -0.081 0.000 1.141 278 F CA -1.108 56.848 58.000 -0.073 0.000 0.939 278 F CB 1.804 40.761 39.000 -0.071 0.000 1.325 278 F HN 0.487 nan 8.300 nan 0.000 0.453 279 S N 1.961 117.771 115.700 0.183 0.000 2.733 279 S HA 0.787 5.300 4.470 0.071 0.000 0.294 279 S C -1.880 172.815 174.600 0.160 0.000 1.149 279 S CA -0.349 57.908 58.200 0.095 0.000 1.034 279 S CB 0.863 64.087 63.200 0.039 0.000 1.015 279 S HN 0.657 nan 8.310 nan 0.000 0.486 280 L N 3.979 125.309 121.223 0.179 0.000 2.362 280 L HA 0.691 5.074 4.340 0.071 0.000 0.271 280 L C -0.438 176.519 176.870 0.146 0.000 1.002 280 L CA -0.061 54.880 54.840 0.168 0.000 0.818 280 L CB 2.021 44.214 42.059 0.224 0.000 1.298 280 L HN 0.701 nan 8.230 nan 0.000 0.420 281 E N 0.823 121.099 120.200 0.127 0.000 2.291 281 E HA 0.585 4.978 4.350 0.071 0.000 0.276 281 E C -1.339 175.327 176.600 0.110 0.000 0.896 281 E CA -0.555 55.914 56.400 0.116 0.000 0.774 281 E CB 2.523 32.273 29.700 0.084 0.000 1.227 281 E HN 0.558 nan 8.360 nan 0.000 0.413 282 T N 0.523 115.152 114.554 0.126 0.000 2.894 282 T HA 0.463 4.856 4.350 0.071 0.000 0.309 282 T C -1.478 173.290 174.700 0.113 0.000 1.208 282 T CA -0.739 61.432 62.100 0.118 0.000 1.016 282 T CB 2.101 71.057 68.868 0.148 0.000 1.192 282 T HN 0.439 nan 8.240 nan 0.000 0.491 283 E N 2.085 122.339 120.200 0.091 0.000 2.263 283 E HA 0.593 4.985 4.350 0.071 0.000 0.268 283 E C -1.171 175.479 176.600 0.084 0.000 0.884 283 E CA -0.992 55.455 56.400 0.079 0.000 0.766 283 E CB 1.967 31.694 29.700 0.045 0.000 1.196 283 E HN 0.804 nan 8.360 nan 0.000 0.416 284 V N 1.101 121.078 119.914 0.106 0.000 2.735 284 V HA 0.476 4.639 4.120 0.071 0.000 0.310 284 V C -0.454 175.685 176.094 0.074 0.000 1.061 284 V CA -1.038 61.319 62.300 0.096 0.000 0.913 284 V CB 1.775 33.687 31.823 0.149 0.000 1.005 284 V HN 0.696 nan 8.190 nan 0.000 0.428 285 D N 3.361 123.778 120.400 0.028 0.000 2.374 285 D HA 0.257 4.940 4.640 0.071 0.000 0.240 285 D C 1.036 177.327 176.300 -0.015 0.000 1.229 285 D CA -0.025 53.970 54.000 -0.008 0.000 0.895 285 D CB 0.899 41.668 40.800 -0.052 0.000 1.046 285 D HN 0.656 nan 8.370 nan 0.000 0.498 286 L N 3.398 124.645 121.223 0.039 0.000 2.549 286 L HA -0.099 4.284 4.340 0.071 0.000 0.230 286 L C 2.438 179.300 176.870 -0.012 0.000 1.162 286 L CA 0.306 55.194 54.840 0.079 0.000 0.834 286 L CB -0.340 41.824 42.059 0.174 0.000 0.947 286 L HN 0.424 nan 8.230 nan 0.000 0.452 287 R N 1.257 121.609 120.500 -0.246 0.000 2.171 287 R HA -0.235 4.148 4.340 0.071 0.000 0.226 287 R C 2.251 178.335 176.300 -0.359 0.000 1.113 287 R CA 2.078 57.741 56.100 -0.727 0.000 0.887 287 R CB -0.145 29.594 30.300 -0.934 0.000 0.830 287 R HN 0.230 nan 8.270 nan 0.000 0.432 288 K N -0.530 119.723 120.400 -0.244 0.000 2.113 288 K HA -0.145 4.218 4.320 0.071 0.000 0.208 288 K C -0.602 175.958 176.600 -0.067 0.000 1.047 288 K CA 1.929 58.140 56.287 -0.126 0.000 0.928 288 K CB -0.935 31.500 32.500 -0.109 0.000 0.716 288 K HN 0.350 nan 8.250 nan 0.000 0.446 289 P HA -0.125 nan 4.420 nan 0.000 0.217 289 P C 1.211 178.513 177.300 0.005 0.000 1.150 289 P CA 1.122 64.185 63.100 -0.061 0.000 0.832 289 P CB 0.099 31.756 31.700 -0.071 0.000 0.787 290 L N -1.051 120.229 121.223 0.095 0.000 2.270 290 L HA -0.020 4.363 4.340 0.071 0.000 0.210 290 L C 2.224 179.226 176.870 0.221 0.000 1.104 290 L CA 0.993 55.959 54.840 0.210 0.000 0.804 290 L CB -0.615 41.672 42.059 0.380 0.000 0.937 290 L HN 0.003 nan 8.230 nan 0.000 0.450 291 E N 0.583 120.899 120.200 0.192 0.000 2.106 291 E HA -0.175 4.218 4.350 0.071 0.000 0.192 291 E C 1.546 178.202 176.600 0.093 0.000 0.984 291 E CA 1.096 57.597 56.400 0.169 0.000 0.806 291 E CB -0.145 29.624 29.700 0.116 0.000 0.750 291 E HN 0.598 nan 8.360 nan 0.000 0.458 292 N N 0.530 119.260 118.700 0.050 0.000 2.443 292 N HA -0.081 4.702 4.740 0.071 0.000 0.184 292 N C 1.247 176.779 175.510 0.036 0.000 1.037 292 N CA 0.280 53.344 53.050 0.023 0.000 0.896 292 N CB 0.130 38.608 38.487 -0.014 0.000 0.959 292 N HN 0.103 nan 8.380 nan 0.000 0.442 293 L N -0.343 120.920 121.223 0.067 0.000 2.628 293 L HA 0.186 4.568 4.340 0.071 0.000 0.229 293 L C 1.289 178.219 176.870 0.101 0.000 1.137 293 L CA 0.111 55.006 54.840 0.091 0.000 0.909 293 L CB 0.012 42.154 42.059 0.138 0.000 1.137 293 L HN 0.270 nan 8.230 nan 0.000 0.470 294 G N 0.394 109.246 108.800 0.087 0.000 2.217 294 G HA2 -0.307 3.696 3.960 0.071 0.000 0.246 294 G HA3 -0.307 3.696 3.960 0.071 0.000 0.246 294 G C 0.457 175.401 174.900 0.073 0.000 0.990 294 G CA -0.156 44.986 45.100 0.071 0.000 0.627 294 G HN 0.301 nan 8.290 nan 0.000 0.522 295 M N 2.945 122.608 119.600 0.104 0.000 3.422 295 M HA 0.292 4.814 4.480 0.071 0.000 0.248 295 M C 1.784 178.164 176.300 0.133 0.000 1.433 295 M CA 0.766 56.111 55.300 0.075 0.000 1.592 295 M CB 0.253 32.902 32.600 0.082 0.000 1.078 295 M HN 0.372 nan 8.290 nan 0.000 0.578 296 T N -4.010 110.613 114.554 0.116 0.000 3.031 296 T HA 0.017 4.410 4.350 0.071 0.000 0.254 296 T C 1.143 175.924 174.700 0.135 0.000 1.060 296 T CA 0.547 62.761 62.100 0.190 0.000 1.135 296 T CB 0.077 69.024 68.868 0.133 0.000 0.896 296 T HN 0.300 nan 8.240 nan 0.000 0.472 297 D N 2.548 122.964 120.400 0.025 0.000 2.104 297 D HA -0.107 4.575 4.640 0.071 0.000 0.194 297 D C 2.209 178.494 176.300 -0.025 0.000 0.994 297 D CA 1.768 55.767 54.000 -0.003 0.000 0.830 297 D CB -0.492 40.278 40.800 -0.050 0.000 0.959 297 D HN 0.655 nan 8.370 nan 0.000 0.452 298 M N -1.499 117.995 119.600 -0.176 0.000 2.337 298 M HA -0.126 4.397 4.480 0.071 0.000 0.261 298 M C 0.883 177.100 176.300 -0.138 0.000 1.067 298 M CA 1.450 56.648 55.300 -0.170 0.000 1.074 298 M CB -0.513 31.856 32.600 -0.385 0.000 1.395 298 M HN -0.099 nan 8.290 nan 0.000 0.431 299 F N 0.256 120.320 119.950 0.189 0.000 2.721 299 F HA 0.327 4.897 4.527 0.072 0.000 0.301 299 F C 0.673 176.590 175.800 0.195 0.000 1.096 299 F CA -0.455 57.655 58.000 0.183 0.000 1.308 299 F CB -0.012 39.049 39.000 0.102 0.000 1.086 299 F HN -0.056 nan 8.300 nan 0.000 0.587 300 R N 1.790 122.425 120.500 0.225 0.000 2.216 300 R HA 0.081 4.464 4.340 0.071 0.000 0.332 300 R C 1.442 177.659 176.300 -0.139 0.000 1.056 300 R CA -0.027 56.104 56.100 0.051 0.000 0.901 300 R CB 0.568 30.909 30.300 0.069 0.000 1.039 300 R HN 0.355 nan 8.270 nan 0.000 0.456 301 Q N 2.068 121.545 119.800 -0.538 0.000 2.181 301 Q HA -0.180 4.203 4.340 0.071 0.000 0.205 301 Q C 0.318 176.006 176.000 -0.520 0.000 0.980 301 Q CA 1.888 57.134 55.803 -0.928 0.000 0.862 301 Q CB 0.155 28.200 28.738 -1.154 0.000 0.905 301 Q HN 0.486 nan 8.270 nan 0.000 0.429 302 F N -0.250 119.630 119.950 -0.116 0.000 2.343 302 F HA 0.098 4.669 4.527 0.073 0.000 0.286 302 F C 2.200 177.985 175.800 -0.025 0.000 1.057 302 F CA 0.507 58.472 58.000 -0.058 0.000 1.365 302 F CB -0.445 38.527 39.000 -0.047 0.000 1.114 302 F HN 0.014 nan 8.300 nan 0.000 0.545 303 Q N 0.593 120.493 119.800 0.166 0.000 2.297 303 Q HA 0.130 4.513 4.340 0.071 0.000 0.204 303 Q C 0.958 176.992 176.000 0.057 0.000 0.962 303 Q CA 0.493 56.354 55.803 0.096 0.000 0.879 303 Q CB -0.208 28.577 28.738 0.078 0.000 0.947 303 Q HN 0.276 nan 8.270 nan 0.000 0.462 304 A N 1.673 124.540 122.820 0.077 0.000 2.466 304 A HA 0.083 4.446 4.320 0.071 0.000 0.238 304 A C -0.201 177.414 177.584 0.052 0.000 1.074 304 A CA 0.013 52.104 52.037 0.090 0.000 0.774 304 A CB 0.359 19.545 19.000 0.311 0.000 1.015 304 A HN 0.099 nan 8.150 nan 0.000 0.498 305 D N 0.815 121.144 120.400 -0.119 0.000 2.402 305 D HA 0.421 5.104 4.640 0.071 0.000 0.252 305 D C -1.426 174.667 176.300 -0.345 0.000 1.294 305 D CA -0.240 53.681 54.000 -0.131 0.000 0.948 305 D CB 0.283 41.001 40.800 -0.137 0.000 1.202 305 D HN 0.248 nan 8.370 nan 0.000 0.561 306 F N 1.766 121.688 119.950 -0.047 0.000 2.908 306 F HA 0.099 4.668 4.527 0.072 0.000 0.328 306 F C 2.181 177.935 175.800 -0.077 0.000 1.211 306 F CA -0.240 57.719 58.000 -0.069 0.000 1.291 306 F CB 0.730 39.674 39.000 -0.092 0.000 0.962 306 F HN 0.283 nan 8.300 nan 0.000 0.505 307 T N -4.156 110.415 114.554 0.030 0.000 2.946 307 T HA -0.156 4.237 4.350 0.071 0.000 0.271 307 T C 1.959 176.667 174.700 0.014 0.000 1.104 307 T CA 1.617 63.726 62.100 0.015 0.000 1.114 307 T CB -0.214 68.655 68.868 0.002 0.000 0.867 307 T HN 0.171 nan 8.240 nan 0.000 0.513 308 S N 0.595 116.312 115.700 0.029 0.000 2.470 308 S HA 0.228 4.741 4.470 0.071 0.000 0.225 308 S C 1.569 176.180 174.600 0.018 0.000 1.006 308 S CA 0.278 58.535 58.200 0.095 0.000 0.934 308 S CB -0.146 63.154 63.200 0.167 0.000 0.778 308 S HN 0.411 nan 8.310 nan 0.000 0.517 309 L N 0.555 121.668 121.223 -0.183 0.000 2.121 309 L HA 0.382 4.764 4.340 0.071 0.000 0.200 309 L C 0.575 177.186 176.870 -0.432 0.000 1.077 309 L CA 1.173 55.609 54.840 -0.673 0.000 0.766 309 L CB -0.165 41.615 42.059 -0.465 0.000 0.931 309 L HN 0.132 nan 8.230 nan 0.000 0.452 310 S N -0.932 114.654 115.700 -0.190 0.000 2.614 310 S HA 0.295 4.808 4.470 0.071 0.000 0.288 310 S C 0.088 174.664 174.600 -0.041 0.000 1.137 310 S CA -0.683 57.450 58.200 -0.113 0.000 0.992 310 S CB 0.836 63.972 63.200 -0.106 0.000 1.026 310 S HN 0.334 nan 8.310 nan 0.000 0.486 311 D N 1.893 122.278 120.400 -0.024 0.000 2.289 311 D HA 0.071 4.753 4.640 0.071 0.000 0.207 311 D C 0.272 176.573 176.300 0.000 0.000 0.966 311 D CA 0.875 54.873 54.000 -0.004 0.000 0.868 311 D CB 0.488 41.290 40.800 0.002 0.000 0.943 311 D HN 0.583 nan 8.370 nan 0.000 0.514 312 Q N 0.518 120.314 119.800 -0.006 0.000 2.240 312 Q HA 0.375 4.758 4.340 0.071 0.000 0.260 312 Q C -0.283 175.715 176.000 -0.004 0.000 1.018 312 Q CA -0.643 55.159 55.803 -0.002 0.000 0.898 312 Q CB 1.403 30.138 28.738 -0.004 0.000 1.301 312 Q HN 0.012 nan 8.270 nan 0.000 0.469 313 E N 0.723 120.925 120.200 0.003 0.000 7.423 313 E HA -0.126 4.266 4.350 0.071 0.000 0.390 313 E C -2.448 174.160 176.600 0.014 0.000 0.628 313 E CA -0.030 56.372 56.400 0.003 0.000 1.042 313 E CB -0.449 29.243 29.700 -0.014 0.000 0.940 313 E HN 0.412 nan 8.360 nan 0.000 0.271 314 P HA 0.128 nan 4.420 nan 0.000 0.273 314 P C -0.212 177.116 177.300 0.047 0.000 1.319 314 P CA 0.122 63.252 63.100 0.051 0.000 0.885 314 P CB 0.247 31.985 31.700 0.063 0.000 1.015 315 L N 4.624 125.890 121.223 0.071 0.000 2.472 315 L HA 0.616 4.999 4.340 0.071 0.000 0.256 315 L C 0.790 177.753 176.870 0.156 0.000 1.111 315 L CA -0.600 54.256 54.840 0.026 0.000 0.800 315 L CB 0.485 42.467 42.059 -0.129 0.000 1.286 315 L HN 0.613 nan 8.230 nan 0.000 0.479 316 H N -3.376 115.514 119.070 -0.301 0.000 2.929 316 H HA 0.242 4.842 4.556 0.073 0.000 0.268 316 H C -1.777 173.330 175.328 -0.368 0.000 1.333 316 H CA -1.131 54.793 56.048 -0.206 0.000 1.422 316 H CB 0.279 30.021 29.762 -0.032 0.000 1.897 316 H HN 0.135 nan 8.280 nan 0.000 0.491 317 V N 2.736 122.426 119.914 -0.374 0.000 2.415 317 V HA 0.277 4.440 4.120 0.071 0.000 0.267 317 V C 1.386 177.325 176.094 -0.258 0.000 1.042 317 V CA 0.815 62.922 62.300 -0.322 0.000 1.000 317 V CB 0.131 31.894 31.823 -0.101 0.000 1.015 317 V HN 0.982 nan 8.190 nan 0.000 0.478 318 A N 5.668 128.218 122.820 -0.450 0.000 2.067 318 A HA 0.242 4.605 4.320 0.071 0.000 0.217 318 A C 0.498 178.008 177.584 -0.124 0.000 1.156 318 A CA 0.787 52.607 52.037 -0.363 0.000 0.683 318 A CB 0.068 18.811 19.000 -0.429 0.000 0.808 318 A HN 0.606 nan 8.150 nan 0.000 0.455 319 L N -1.472 119.716 121.223 -0.058 0.000 2.639 319 L HA 0.620 5.002 4.340 0.071 0.000 0.264 319 L C -0.933 175.977 176.870 0.068 0.000 0.948 319 L CA -0.051 54.791 54.840 0.004 0.000 0.912 319 L CB 1.504 43.556 42.059 -0.010 0.000 1.294 319 L HN 0.125 nan 8.230 nan 0.000 0.412 320 A N 6.239 129.119 122.820 0.100 0.000 2.293 320 A HA 0.838 5.201 4.320 0.071 0.000 0.312 320 A C -1.307 176.332 177.584 0.091 0.000 1.309 320 A CA -0.322 51.800 52.037 0.142 0.000 0.839 320 A CB 0.418 19.586 19.000 0.280 0.000 1.155 320 A HN 0.635 nan 8.150 nan 0.000 0.501 321 L N 1.277 122.551 121.223 0.085 0.000 2.341 321 L HA 0.672 5.055 4.340 0.071 0.000 0.267 321 L C -0.139 176.771 176.870 0.066 0.000 1.009 321 L CA -0.553 54.331 54.840 0.073 0.000 0.819 321 L CB 2.329 44.427 42.059 0.064 0.000 1.323 321 L HN 0.768 nan 8.230 nan 0.000 0.425 322 Q N 2.453 122.289 119.800 0.060 0.000 2.268 322 Q HA 0.349 4.731 4.340 0.071 0.000 0.266 322 Q C -1.677 174.350 176.000 0.045 0.000 1.006 322 Q CA -0.703 55.113 55.803 0.022 0.000 0.824 322 Q CB 2.807 31.512 28.738 -0.054 0.000 1.306 322 Q HN 0.499 nan 8.270 nan 0.000 0.424 323 K N 3.048 123.477 120.400 0.047 0.000 2.450 323 K HA 0.568 4.930 4.320 0.071 0.000 0.257 323 K C -1.625 175.036 176.600 0.102 0.000 0.953 323 K CA -0.479 55.848 56.287 0.067 0.000 0.844 323 K CB 1.595 34.118 32.500 0.039 0.000 1.103 323 K HN 0.353 nan 8.250 nan 0.000 0.429 324 V N 4.272 124.269 119.914 0.138 0.000 2.540 324 V HA 0.418 4.581 4.120 0.071 0.000 0.302 324 V C -0.763 175.445 176.094 0.190 0.000 1.035 324 V CA -0.864 61.558 62.300 0.203 0.000 0.873 324 V CB 1.705 33.691 31.823 0.271 0.000 0.992 324 V HN 0.699 nan 8.190 nan 0.000 0.428 325 K N 4.910 125.420 120.400 0.184 0.000 2.413 325 K HA 0.691 5.054 4.320 0.071 0.000 0.257 325 K C -1.619 174.992 176.600 0.018 0.000 0.946 325 K CA -0.552 55.833 56.287 0.164 0.000 0.823 325 K CB 2.023 34.677 32.500 0.257 0.000 1.109 325 K HN 0.741 nan 8.250 nan 0.000 0.427 326 I N 2.838 123.397 120.570 -0.017 0.000 2.465 326 I HA 0.311 4.524 4.170 0.071 0.000 0.291 326 I C -1.257 174.747 176.117 -0.189 0.000 1.014 326 I CA -0.667 60.518 61.300 -0.191 0.000 1.093 326 I CB 1.836 39.790 38.000 -0.078 0.000 1.267 326 I HN 0.649 nan 8.210 nan 0.000 0.431 327 E N 5.418 125.403 120.200 -0.358 0.000 2.156 327 E HA 0.506 4.899 4.350 0.071 0.000 0.279 327 E C -1.414 174.914 176.600 -0.454 0.000 0.965 327 E CA -0.273 55.942 56.400 -0.309 0.000 0.789 327 E CB 1.907 31.471 29.700 -0.227 0.000 1.098 327 E HN 0.337 nan 8.360 nan 0.000 0.397 328 V N 5.651 125.256 119.914 -0.515 0.000 2.419 328 V HA 0.466 4.629 4.120 0.071 0.000 0.287 328 V C -0.761 175.089 176.094 -0.408 0.000 1.017 328 V CA -0.684 61.239 62.300 -0.627 0.000 0.844 328 V CB 0.885 31.834 31.823 -1.456 0.000 1.011 328 V HN 0.825 nan 8.190 nan 0.000 0.429 329 N N 2.557 121.144 118.700 -0.189 0.000 3.316 329 N HA 0.372 5.155 4.740 0.071 0.000 0.300 329 N C 0.414 175.976 175.510 0.087 0.000 1.567 329 N CA -0.865 52.124 53.050 -0.102 0.000 0.821 329 N CB 0.820 39.253 38.487 -0.090 0.000 1.748 329 N HN 0.109 nan 8.380 nan 0.000 0.603 330 E N -0.331 119.911 120.200 0.070 0.000 2.160 330 E HA -0.053 4.340 4.350 0.071 0.000 0.195 330 E C 0.305 177.162 176.600 0.428 0.000 0.991 330 E CA 1.490 58.037 56.400 0.246 0.000 0.810 330 E CB -0.195 29.607 29.700 0.169 0.000 0.742 330 E HN 0.606 nan 8.360 nan 0.000 0.466 331 S N -2.794 113.042 115.700 0.227 0.000 4.134 331 S HA 0.019 4.531 4.470 0.071 0.000 0.627 331 S C 0.099 174.750 174.600 0.085 0.000 1.892 331 S CA 0.613 58.893 58.200 0.134 0.000 4.160 331 S CB -1.414 61.926 63.200 0.233 0.000 0.210 331 S HN 0.964 nan 8.310 nan 0.000 0.516 345 A N 2.091 124.887 122.820 -0.040 0.000 2.602 345 A HA 0.921 5.284 4.320 0.071 0.000 0.290 345 A C -1.350 176.219 177.584 -0.026 0.000 1.114 345 A CA -0.967 51.054 52.037 -0.027 0.000 0.683 345 A CB 1.396 20.383 19.000 -0.022 0.000 1.281 345 A HN 0.629 nan 8.150 nan 0.000 0.416 346 R N 0.096 120.585 120.500 -0.019 0.000 2.229 346 R HA 0.703 5.085 4.340 0.071 0.000 0.332 346 R C -0.398 175.890 176.300 -0.020 0.000 0.989 346 R CA -0.036 56.053 56.100 -0.018 0.000 0.842 346 R CB 0.382 30.676 30.300 -0.011 0.000 1.119 346 R HN 0.711 nan 8.270 nan 0.000 0.456 347 M N 2.708 122.295 119.600 -0.022 0.000 1.794 347 M HA 0.437 4.960 4.480 0.071 0.000 0.292 347 M C 0.443 176.729 176.300 -0.023 0.000 0.966 347 M CA 0.396 55.683 55.300 -0.022 0.000 1.072 347 M CB -0.716 31.871 32.600 -0.021 0.000 2.031 347 M HN 0.330 nan 8.290 nan 0.000 0.719 348 A N 1.732 124.537 122.820 -0.026 0.000 2.251 348 A HA 0.718 5.080 4.320 0.071 0.000 0.278 348 A C -2.082 175.486 177.584 -0.027 0.000 1.206 348 A CA -0.908 51.112 52.037 -0.027 0.000 0.822 348 A CB -1.017 17.963 19.000 -0.033 0.000 1.187 348 A HN 0.175 nan 8.150 nan 0.000 0.504 349 P HA 0.110 nan 4.420 nan 0.000 0.271 349 P C -0.188 177.090 177.300 -0.035 0.000 1.228 349 P CA 0.260 63.340 63.100 -0.033 0.000 0.797 349 P CB 0.058 31.736 31.700 -0.037 0.000 0.914 350 E N -0.211 119.964 120.200 -0.042 0.000 3.478 350 E HA -0.210 4.183 4.350 0.071 0.000 0.336 350 E C 0.155 176.729 176.600 -0.043 0.000 0.942 350 E CA 1.505 57.875 56.400 -0.050 0.000 1.054 350 E CB -0.233 29.419 29.700 -0.080 0.000 1.153 350 E HN 0.490 nan 8.360 nan 0.000 0.472 351 E N 0.398 120.572 120.200 -0.043 0.000 2.393 351 E HA 0.649 5.042 4.350 0.071 0.000 0.273 351 E C -0.715 175.852 176.600 -0.054 0.000 0.918 351 E CA -0.830 55.552 56.400 -0.030 0.000 0.773 351 E CB 1.348 31.044 29.700 -0.007 0.000 1.275 351 E HN 0.335 nan 8.360 nan 0.000 0.451 352 I N 2.443 122.974 120.570 -0.065 0.000 2.390 352 I HA 0.268 4.481 4.170 0.071 0.000 0.283 352 I C -0.772 175.318 176.117 -0.046 0.000 1.016 352 I CA -0.953 60.295 61.300 -0.086 0.000 1.151 352 I CB 1.040 38.935 38.000 -0.174 0.000 1.293 352 I HN 0.433 nan 8.210 nan 0.000 0.458 353 I N 7.345 127.910 120.570 -0.008 0.000 2.330 353 I HA 0.254 4.466 4.170 0.071 0.000 0.286 353 I C 0.202 176.319 176.117 0.000 0.000 1.025 353 I CA -0.478 60.830 61.300 0.013 0.000 1.197 353 I CB 1.250 39.274 38.000 0.040 0.000 1.358 353 I HN 0.407 nan 8.210 nan 0.000 0.467 354 I N 6.501 127.056 120.570 -0.025 0.000 2.191 354 I HA 0.068 4.281 4.170 0.071 0.000 0.289 354 I C 0.704 176.842 176.117 0.035 0.000 1.141 354 I CA -0.012 61.262 61.300 -0.044 0.000 1.430 354 I CB -0.725 37.154 38.000 -0.202 0.000 1.497 354 I HN 0.467 nan 8.210 nan 0.000 0.636 355 D N 2.452 122.834 120.400 -0.029 0.000 2.894 355 D HA 0.278 4.961 4.640 0.071 0.000 0.248 355 D C 0.440 176.374 176.300 -0.610 0.000 1.291 355 D CA -0.090 53.828 54.000 -0.138 0.000 0.840 355 D CB 0.104 40.941 40.800 0.062 0.000 1.044 355 D HN 0.391 nan 8.370 nan 0.000 0.484 356 R N 0.090 120.169 120.500 -0.702 0.000 2.680 356 R HA 0.615 4.997 4.340 0.071 0.000 0.269 356 R C -3.341 172.848 176.300 -0.185 0.000 1.026 356 R CA -1.635 54.092 56.100 -0.621 0.000 0.889 356 R CB -0.451 29.722 30.300 -0.211 0.000 1.241 356 R HN -0.038 nan 8.270 nan 0.000 0.463 357 P HA 0.244 nan 4.420 nan 0.000 0.264 357 P C -0.869 176.657 177.300 0.375 0.000 1.183 357 P CA 0.387 63.733 63.100 0.411 0.000 0.763 357 P CB 0.014 31.845 31.700 0.219 0.000 0.807 358 F N 1.458 121.537 119.950 0.216 0.000 2.675 358 F HA 0.719 5.290 4.527 0.075 0.000 0.324 358 F C -1.633 174.284 175.800 0.195 0.000 1.106 358 F CA -1.551 56.557 58.000 0.180 0.000 0.970 358 F CB 0.781 39.902 39.000 0.202 0.000 1.385 358 F HN -0.029 nan 8.300 nan 0.000 0.489 359 L N 1.643 123.064 121.223 0.330 0.000 2.330 359 L HA 0.670 5.053 4.340 0.071 0.000 0.271 359 L C -1.137 176.017 176.870 0.474 0.000 1.013 359 L CA -0.996 53.958 54.840 0.189 0.000 0.816 359 L CB 1.966 44.120 42.059 0.157 0.000 1.287 359 L HN 0.777 nan 8.230 nan 0.000 0.435 360 F N 0.269 120.384 119.950 0.274 0.000 2.578 360 F HA 0.780 5.346 4.527 0.065 0.000 0.311 360 F C -1.176 174.828 175.800 0.339 0.000 1.094 360 F CA -1.087 57.166 58.000 0.422 0.000 0.923 360 F CB 1.353 40.673 39.000 0.533 0.000 1.230 360 F HN -0.036 nan 8.300 nan 0.000 0.450 361 V N 3.712 123.973 119.914 0.579 0.000 2.419 361 V HA 0.340 4.503 4.120 0.071 0.000 0.287 361 V C -0.643 175.799 176.094 0.581 0.000 1.017 361 V CA -0.813 61.735 62.300 0.413 0.000 0.844 361 V CB 1.423 33.410 31.823 0.272 0.000 1.011 361 V HN 0.777 nan 8.190 nan 0.000 0.429 362 V N 6.506 126.727 119.914 0.512 0.000 2.372 362 V HA 0.473 4.636 4.120 0.071 0.000 0.261 362 V C 0.348 176.620 176.094 0.298 0.000 1.055 362 V CA -0.419 62.155 62.300 0.457 0.000 0.930 362 V CB 0.673 32.681 31.823 0.309 0.000 1.031 362 V HN 1.021 nan 8.190 nan 0.000 0.479 363 R N 2.663 123.385 120.500 0.369 0.000 2.670 363 R HA 0.504 4.886 4.340 0.071 0.000 0.289 363 R C -0.287 176.185 176.300 0.287 0.000 0.965 363 R CA -0.679 55.574 56.100 0.255 0.000 0.899 363 R CB 0.913 31.337 30.300 0.206 0.000 1.173 363 R HN 0.701 nan 8.270 nan 0.000 0.456 364 H N 2.740 121.859 119.070 0.083 0.000 2.767 364 H HA 0.110 4.709 4.556 0.072 0.000 0.316 364 H C -0.203 175.187 175.328 0.103 0.000 1.059 364 H CA -0.219 55.883 56.048 0.091 0.000 1.461 364 H CB 1.038 30.811 29.762 0.018 0.000 1.475 364 H HN 0.662 nan 8.280 nan 0.000 0.531 365 N N 5.254 123.889 118.700 -0.109 0.000 2.250 365 N HA -0.054 4.729 4.740 0.071 0.000 0.181 365 N C -1.192 174.220 175.510 -0.163 0.000 1.017 365 N CA 0.463 53.470 53.050 -0.071 0.000 0.866 365 N CB -0.927 37.543 38.487 -0.028 0.000 0.985 365 N HN 0.619 nan 8.380 nan 0.000 0.429 366 P HA 0.100 nan 4.420 nan 0.000 0.245 366 P C 0.663 177.927 177.300 -0.060 0.000 1.212 366 P CA 1.028 63.988 63.100 -0.234 0.000 0.774 366 P CB 0.228 31.739 31.700 -0.315 0.000 0.999 367 T N -7.759 106.808 114.554 0.022 0.000 3.100 367 T HA 0.342 4.735 4.350 0.071 0.000 0.255 367 T C 1.429 176.177 174.700 0.079 0.000 0.893 367 T CA 0.554 62.715 62.100 0.103 0.000 0.882 367 T CB -0.170 68.814 68.868 0.193 0.000 1.266 367 T HN 0.052 nan 8.240 nan 0.000 0.528 368 G N 1.745 110.594 108.800 0.082 0.000 2.141 368 G HA2 -0.204 3.799 3.960 0.071 0.000 0.231 368 G HA3 -0.204 3.799 3.960 0.071 0.000 0.231 368 G C 0.056 174.984 174.900 0.047 0.000 0.984 368 G CA 0.013 45.150 45.100 0.061 0.000 0.660 368 G HN 0.809 nan 8.290 nan 0.000 0.525 369 T N 1.496 116.076 114.554 0.043 0.000 2.769 369 T HA 0.403 4.796 4.350 0.071 0.000 0.293 369 T C 0.955 175.632 174.700 -0.038 0.000 0.931 369 T CA 0.423 62.494 62.100 -0.047 0.000 1.139 369 T CB 1.551 70.284 68.868 -0.225 0.000 0.881 369 T HN 1.431 nan 8.240 nan 0.000 0.532 370 V N 4.624 124.518 119.914 -0.033 0.000 2.364 370 V HA 0.252 4.415 4.120 0.071 0.000 0.252 370 V C 1.113 177.155 176.094 -0.087 0.000 1.075 370 V CA -0.052 62.228 62.300 -0.034 0.000 1.033 370 V CB -0.797 30.994 31.823 -0.054 0.000 1.116 370 V HN 0.870 nan 8.190 nan 0.000 0.488 371 L N 3.833 124.963 121.223 -0.154 0.000 2.056 371 L HA 0.202 4.584 4.340 0.071 0.000 0.207 371 L C 0.500 176.902 176.870 -0.780 0.000 1.078 371 L CA 1.657 56.233 54.840 -0.439 0.000 0.749 371 L CB -0.183 41.599 42.059 -0.461 0.000 0.901 371 L HN 0.547 nan 8.230 nan 0.000 0.433 372 F N -1.957 117.980 119.950 -0.022 0.000 2.599 372 F HA 0.623 5.193 4.527 0.070 0.000 0.311 372 F C -0.161 175.631 175.800 -0.012 0.000 1.076 372 F CA -0.628 57.391 58.000 0.032 0.000 0.937 372 F CB 1.856 40.924 39.000 0.114 0.000 1.282 372 F HN -0.306 nan 8.300 nan 0.000 0.460 373 M N 0.738 120.361 119.600 0.038 0.000 2.578 373 M HA 0.755 5.278 4.480 0.071 0.000 0.276 373 M C -1.001 174.839 176.300 -0.766 0.000 1.245 373 M CA -0.237 54.778 55.300 -0.474 0.000 0.871 373 M CB 2.870 35.061 32.600 -0.681 0.000 1.722 373 M HN 0.841 nan 8.290 nan 0.000 0.473 374 G N 1.523 109.579 108.800 -1.240 0.000 2.313 374 G HA2 0.396 4.399 3.960 0.071 0.000 0.296 374 G HA3 0.396 4.399 3.960 0.071 0.000 0.296 374 G C -2.598 171.935 174.900 -0.611 0.000 1.356 374 G CA -0.780 43.872 45.100 -0.747 0.000 0.833 374 G HN 0.809 nan 8.290 nan 0.000 0.552 375 Q N -1.291 118.458 119.800 -0.085 0.000 2.356 375 Q HA 0.716 5.099 4.340 0.071 0.000 0.270 375 Q C -1.408 174.531 176.000 -0.100 0.000 1.058 375 Q CA -1.228 54.533 55.803 -0.069 0.000 0.802 375 Q CB 2.888 31.645 28.738 0.032 0.000 1.303 375 Q HN 1.470 nan 8.270 nan 0.000 0.444 376 V N 4.635 124.336 119.914 -0.355 0.000 2.349 376 V HA 0.288 4.451 4.120 0.071 0.000 0.284 376 V C -0.041 175.912 176.094 -0.235 0.000 1.014 376 V CA -0.674 61.360 62.300 -0.445 0.000 0.826 376 V CB 1.207 32.452 31.823 -0.963 0.000 1.009 376 V HN 0.998 nan 8.190 nan 0.000 0.431 377 M N 3.628 123.178 119.600 -0.082 0.000 2.509 377 M HA 0.403 4.926 4.480 0.071 0.000 0.250 377 M C 0.577 176.937 176.300 0.101 0.000 1.132 377 M CA 0.584 55.935 55.300 0.085 0.000 1.080 377 M CB -0.583 32.049 32.600 0.053 0.000 1.408 377 M HN 0.884 nan 8.290 nan 0.000 0.484 378 E N 1.658 121.758 120.200 -0.168 0.000 2.539 378 E HA 0.255 4.648 4.350 0.071 0.000 0.332 378 E C -2.759 173.628 176.600 -0.354 0.000 0.910 378 E CA -0.883 55.331 56.400 -0.310 0.000 0.785 378 E CB 2.338 31.985 29.700 -0.088 0.000 1.406 378 E HN -0.040 nan 8.360 nan 0.000 0.391 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.938 63.100 -0.269 0.000 0.800 379 P CB 0.000 31.549 31.700 -0.252 0.000 0.726